A0A087Y8A9_POEFO Loading...

HPS6 biosis of lysosomal organelles complex 2 subunit 3

AlphaFold DB , UniProt , Accession A0A087Y8A9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 791 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
1M47.6Very low76.2Confident223 Ų22373.7 Ų73.7100%1.09937%0.373SS*.  0146.50-71.6-171-116.600108R3M1-R3 PolarHBondContact O-N 3Å
2S60.4Low76.1Confident66 Ų6668.4 Ų68.446%0.46235%0.346SS..  trans-70122.717749.40000110.2
3R74.8Confident75.9Confident87 Ų8775.2 Ų75.233%0.32837%0.371SS..SBendtrans-63.1-44.5-179177.1174.9172.5-172.8-3.3112.2M1 D386 K387 D388M1-R3 PolarHBondContact O-N 3Å; R3-D386 VanDerWaalsContact CG-OD1 3.23Å; R3-D386 WeakPolarHBondContact CG-OD1 3.45Å; R3-D386 IonicContact CZ-OD2 3.42Å; R3-D386 IonicContact NE-OD1 3.57Å; R3-D386 PolarHBondContact NE-OD1 3.46Å; R3-D386 IonicContact NE-OD2 2.83Å; R3-D386 PolarHBondContact NE-OD2 2.94Å; R3-D386 IonicContact NH2-OD2 3.02Å; R3-D386 PolarHBondContact NH2-OD2 2.84Å; R3-K387 PolarHBondContact O-N 3.17Å; R3-D388 HydrophobicContact CG-CB 4.44Å
4F82Confident75.8Confident12 Ų1278.2 Ų78.25%0.05339%0.39CS..EExtended strand (participates in β ladder)trans-103.5139.1177.6-59.9-86.6000111.1L343 L352 Q353 I355 L384 A385 D386F4-L343 HydrophobicContact CB-CD1 3.72Å; F4-L343 HydrophobicContact CD1-CD1 4.14Å; F4-L343 HydrophobicContact CD2-CD1 3.74Å; F4-L343 HydrophobicContact CE2-CD1 4.42Å; F4-L343 HydrophobicContact CG-CD1 3.58Å; F4-L352 HydrophobicContact CE2-CB 3.95Å; F4-L352 HydrophobicContact CE2-CD1 4.07Å; F4-L352 HydrophobicContact CZ-CD1 4.08Å; F4-Q353 VanDerWaalsContact CB-OE1 3.29Å; F4-Q353 HydrophobicContact CD2-CB 4.21Å; F4-Q353 PolarHBondContact O-NE2 3.23Å; F4-Q353 PolarHBondContact O-OE1 2.92Å; F4-I355 HydrophobicContact CB-CD1 4.36Å; F4-L384 HydrophobicContact CB-CD1 4.08Å; F4-L384 HydrophobicContact CB-CG 4.47Å; F4-L384 HydrophobicContact CD1-CD2 4.37Å; F4-L384 HydrophobicContact CD1-CG 4.31Å; F4-A385 WeakPolarHBondContact CA-O 3.47Å; F4-D386 HydrophobicContact CD1-CB 4.04Å; F4-D386 HydrophobicContact CE1-CB 3.77Å
5V84.3Confident75.7Confident35 Ų3575.5 Ų75.521%0.21237%0.373CS..EExtended strand (participates in β ladder)trans-133.3144.4176.7179.40000109.5A385 K387V5-A385 PolarHBondContact N-O 3.47Å; V5-A385 PolarHBondContact O-N 3.47Å; V5-K387 HydrophobicContact CB-CD 4.31Å; V5-K387 HydrophobicContact CG2-CD 3.65Å; V5-K387 VanDerWaalsContact CG2-CE 3.47Å; V5-K387 HydrophobicContact CG2-CG 4.22Å
6L85.6Confident75.2Confident47 Ų4777.4 Ų77.425%0.24641%0.405CS..EExtended strand (participates in β ladder)trans-84.6113.7171.2-68.3169.2000108.6L341 I355 L357 L375 F382 M383 L384L6-L341 HydrophobicContact CD2-CD2 4.34Å; L6-I355 HydrophobicContact CD1-CG2 4.11Å; L6-L357 HydrophobicContact CD1-CD2 3.65Å; L6-L375 HydrophobicContact CD1-CD2 3.78Å; L6-L375 HydrophobicContact CD2-CB 4.41Å; L6-L375 HydrophobicContact CD2-CD2 3.87Å; L6-L375 HydrophobicContact CG-CD2 4.49Å; L6-F382 HydrophobicContact CB-CB 4.46Å; L6-F382 HydrophobicContact CB-CD1 4.47Å; L6-F382 HydrophobicContact CD2-CB 4.4Å; L6-M383 CarbonylContact C-O 3.47Å; L6-M383 WeakPolarHBondContact CA-O 3.47Å; L6-L384 HydrophobicContact CD2-CB 4.48Å; L6-L384 HydrophobicContact CD2-CD1 3.8Å; L6-L384 HydrophobicContact CG-CD1 4.4Å
7E85.5Confident74.8Confident92 Ų9275.2 Ų75.243%0.4341%0.405SS..EExtended strand (participates in β ladder)trans-97.3130.6174.9-65.7-173.9171.400109.2L9 F382 M383 A385E7-L9 PolarHBondContact O-N 2.99Å; E7-F382 CarbonylContact O-C 3.53Å; E7-F382 VanDerWaalsContact O-CA 3.23Å; E7-F382 WeakPolarHBondContact O-CA 3.23Å; E7-M383 PolarHBondContact N-O 3.1Å; E7-M383 PolarHBondContact O-N 3.29Å; E7-A385 VanDerWaalsContact CD-CB 3.46Å; E7-A385 HydrophobicContact CG-CB 3.88Å
8E84.4Confident74.5Confident112 Ų11273.2 Ų73.252%0.52340%0.398SS..EExtended strand (participates in β ladder)trans-77.2120.7179.1-170.4170.8-179.200109.5F382E8-F382 HydrophobicContact CB-CD1 3.96Å; E8-F382 HydrophobicContact CB-CE1 3.77Å; E8-F382 HydrophobicContact CG-CD1 4.3Å; E8-F382 HydrophobicContact CG-CE1 3.83Å; E8-F382 HydrophobicContact CG-CZ 4.2Å
9L78.3Confident74.1Confident80 Ų8077.4 Ų77.442%0.41942%0.415SS..EExtended strand (participates in β ladder)trans-88.6-37.7177-69.9177.9000112E7 F374 L381 M383E7-L9 PolarHBondContact O-N 2.99Å; L9-F374 HydrophobicContact CD1-CD1 3.92Å; L9-F374 HydrophobicContact CD1-CE1 3.58Å; L9-F374 HydrophobicContact CD1-CZ 3.96Å; L9-L381 HydrophobicContact CD1-CD2 4.14Å; L9-L381 HydrophobicContact CD1-CG 4.38Å; L9-L381 PolarHBondContact N-O 2.89Å; L9-M383 HydrophobicContact CD1-CB 3.87Å; L9-M383 HydrophobicContact CD1-CE 4.11Å; L9-M383 HydrophobicContact CD2-CB 4.02Å; L9-M383 HydrophobicContact CD2-CE 3.85Å; L9-M383 HydrophobicContact CG-CB 3.81Å
10S76.1Confident73.9Confident17 Ų1778.7 Ų78.712%0.11942%0.417CS..EExtended strand (participates in β ladder)trans-160.7135-177.657.20000110.2Y15 G380 L381S10-Y15 WeakPolarHBondContact OG-CE2 3.44Å; S10-Y15 PolarHBondContact OG-OH 2.91Å; S10-G380 WeakPolarHBondContact O-CA 3.44Å; S10-L381 PolarHBondContact N-O 3.18Å; S10-L381 PolarHBondContact O-N 2.83Å; S10-L381 WeakPolarHBondContact OG-CB 3.43Å
11D79.6Confident73.7Confident40 Ų4075.9 Ų75.921%0.21440%0.402CS..EExtended strand (participates in β ladder)trans-76.9147.3166.9-174.5-31.6000107.4K13 D14D11-K13 HydrophobicContact CB-CB 4.41Å; D11-K13 PolarHBondContact O-N 2.77Å; D11-K13 VanDerWaalsContact O-N 3.1Å; D11-K13 WeakPolarHBondContact OD1-CG 3.33Å; D11-K13 PolarHBondContact OD1-N 2.81Å; D11-K13 IonicContact OD2-NZ 2.79Å; D11-K13 PolarHBondContact OD2-NZ 3.14Å; D11-D14 PolarHBondContact N-OD2 3.47Å; D11-D14 VanDerWaalsContact O-CB 3.26Å; D11-D14 WeakPolarHBondContact O-CB 3.45Å; D11-D14 PolarHBondContact O-N 2.96Å
12F74.1Confident74.7Confident10 Ų1066.3 Ų66.34%0.04436%0.36CS..G310 helixtrans-56.9-24.5171.2-73.9-21.6000113.5D14 Y15 S18 L21 L25 I49 L376 S377 E378F12-D14 PolarHBondContact O-N 2.83Å; F12-Y15 HydrophobicContact CD1-CD2 4.26Å; F12-Y15 HydrophobicContact CD1-CE2 4.35Å; F12-Y15 PolarHBondContact O-N 2.69Å; F12-Y15 VanDerWaalsContact O-N 3.13Å; F12-S18 WeakPolarHBondContact O-CB 3.2Å; F12-L21 HydrophobicContact CD1-CD2 3.79Å; F12-L21 HydrophobicContact CD2-CD2 4.36Å; F12-L21 HydrophobicContact CE1-CD2 4Å; F12-L21 HydrophobicContact CG-CD2 3.99Å; F12-L21 HydrophobicContact CZ-CD2 4.36Å; F12-L25 HydrophobicContact CD2-CD1 4.34Å; F12-L25 HydrophobicContact CE2-CD1 3.46Å; F12-L25 VanDerWaalsContact CE2-CD1 3.46Å; F12-L25 HydrophobicContact CZ-CD1 3.86Å; F12-I49 HydrophobicContact CD1-CD1 4.39Å; F12-I49 HydrophobicContact CE1-CD1 3.92Å; F12-L376 HydrophobicContact CE1-CD1 3.58Å; F12-L376 HydrophobicContact CZ-CD1 3.61Å; F12-L376 HydrophobicContact CZ-CG 4.2Å; F12-S377 WeakPolarHBondContact CE2-O 3.42Å; F12-S377 WeakPolarHBondContact CZ-O 3.2Å; F12-E378 WeakPolarHBondContact CD2-O 3.48Å; F12-E378 VanDerWaalsContact CE2-C 3.48Å; F12-E378 VanDerWaalsContact CE2-O 3.26Å; F12-E378 WeakPolarHBondContact CE2-O 3.47Å
13K74.2Confident74.9Confident156 Ų15666.6 Ų66.668%0.67836%0.356SS*.G310 helixtrans-57.6-26.3170.9-66.5178.4-156.6122.40113.6D11 Y15D11-K13 HydrophobicContact CB-CB 4.41Å; D11-K13 PolarHBondContact O-N 2.77Å; D11-K13 VanDerWaalsContact O-N 3.1Å; D11-K13 WeakPolarHBondContact OD1-CG 3.33Å; D11-K13 PolarHBondContact OD1-N 2.81Å; D11-K13 IonicContact OD2-NZ 2.79Å; D11-K13 PolarHBondContact OD2-NZ 3.14Å; K13-Y15 VanDerWaalsContact C-N 3.28Å; K13-Y15 PolarHBondContact O-N 3.03Å
14D74.3Confident74.6Confident118 Ų11865.3 Ų65.363%0.63136%0.355SS*.G310 helixtrans-75.4-19.3-179.4-56.4-31.2000112.2D11 F12D11-D14 PolarHBondContact N-OD2 3.47Å; D11-D14 VanDerWaalsContact O-CB 3.26Å; D11-D14 WeakPolarHBondContact O-CB 3.45Å; D11-D14 PolarHBondContact O-N 2.96Å; F12-D14 PolarHBondContact O-N 2.83Å
15Y74.1Confident73.8Confident37 Ų3766.1 Ų66.115%0.14536%0.36CS..SBendtrans-85.2137.5179.9-69.9-93.8000112.1S10 F12 K13 G17 S18 G46 I49S10-Y15 WeakPolarHBondContact OG-CE2 3.44Å; S10-Y15 PolarHBondContact OG-OH 2.91Å; F12-Y15 HydrophobicContact CD1-CD2 4.26Å; F12-Y15 HydrophobicContact CD1-CE2 4.35Å; F12-Y15 PolarHBondContact O-N 2.69Å; F12-Y15 VanDerWaalsContact O-N 3.13Å; K13-Y15 VanDerWaalsContact C-N 3.28Å; K13-Y15 PolarHBondContact O-N 3.03Å; Y15-G17 PolarHBondContact O-N 3.08Å; Y15-G17 VanDerWaalsContact O-N 3.1Å; Y15-S18 WeakPolarHBondContact O-CB 3.44Å; Y15-S18 PolarHBondContact O-N 3.06Å; Y15-S18 VanDerWaalsContact O-N 3.08Å; Y15-G46 PolarHBondContact OH-O 3.31Å; Y15-G46 VanDerWaalsContact OH-O 3.13Å; Y15-I49 HydrophobicContact CD1-CD1 4.17Å; Y15-I49 HydrophobicContact CD1-CG1 4.37Å; Y15-I49 HydrophobicContact CD2-CD1 4.35Å; Y15-I49 HydrophobicContact CE1-CD1 3.73Å; Y15-I49 HydrophobicContact CE1-CG1 3.81Å; Y15-I49 HydrophobicContact CE2-CD1 3.89Å; Y15-I49 HydrophobicContact CG-CD1 4.47Å
16A67.4Low72.5Confident107 Ų10768.2 Ų68.288%0.88437%0.373SS*.THydrogen-bonded Turntrans-61.9115.2168.900000109.8
17G68.1Low70.6Confident39 Ų3972.9 Ų72.940%0.40239%0.392SS..THydrogen-bonded Turntrans97.613.3-175.700000115Y15 Q19 K20 L21Y15-G17 PolarHBondContact O-N 3.08Å; Y15-G17 VanDerWaalsContact O-N 3.1Å; G17-Q19 VanDerWaalsContact C-N 3.25Å; G17-Q19 PolarHBondContact O-N 2.86Å; G17-Q19 VanDerWaalsContact O-N 3.11Å; G17-K20 PolarHBondContact O-N 2.93Å; G17-L21 PolarHBondContact O-N 3.45Å
18S69.7Low68.6Low40 Ų4072.4 Ų72.428%0.2840%0.398SS..Hα-helixtrans-40-4517761.60000115.5F12 Y15 L21 G22F12-S18 WeakPolarHBondContact O-CB 3.2Å; Y15-S18 WeakPolarHBondContact O-CB 3.44Å; Y15-S18 PolarHBondContact O-N 3.06Å; Y15-S18 VanDerWaalsContact O-N 3.08Å; S18-L21 PolarHBondContact O-N 3.3Å; S18-G22 PolarHBondContact O-N 3.33Å
19Q68.1Low66.7Low152 Ų15275.7 Ų75.771%0.7141%0.411SS*.Hα-helixtrans-63.4-45.1179.6-167.7170.913.100112G17 G22 D23G17-Q19 VanDerWaalsContact C-N 3.25Å; G17-Q19 PolarHBondContact O-N 2.86Å; G17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-G22 PolarHBondContact O-N 2.92Å; Q19-D23 WeakPolarHBondContact O-CB 3.11Å; Q19-D23 PolarHBondContact O-N 3.25Å
20K70.1Confident64.9Low104 Ų10478.5 Ų78.545%0.45243%0.426SS..Hα-helixtrans-66.7-39.8175.7-68.3-175178.4-169.90111.6G17 D23 L24 D71G17-K20 PolarHBondContact O-N 2.93Å; K20-D23 PolarHBondContact O-N 2.94Å; K20-L24 VanDerWaalsContact O-CB 3.31Å; K20-L24 WeakPolarHBondContact O-CB 3.34Å; K20-L24 WeakPolarHBondContact O-CG 3.49Å; K20-L24 PolarHBondContact O-N 3.3Å; K20-D71 VanDerWaalsContact NZ-CG 3.3Å; K20-D71 IonicContact NZ-OD1 2.82Å; K20-D71 PolarHBondContact NZ-OD1 3Å; K20-D71 IonicContact NZ-OD2 3.15Å; K20-D71 PolarHBondContact NZ-OD2 3.17Å
21L69.9Low63.3Low20 Ų2083.7 Ų83.711%0.10545%0.449CS..Hα-helixtrans-63.9-45.5177.2-17863.8000111F12 G17 S18 L24 L25 I49 V51F12-L21 HydrophobicContact CD1-CD2 3.79Å; F12-L21 HydrophobicContact CD2-CD2 4.36Å; F12-L21 HydrophobicContact CE1-CD2 4Å; F12-L21 HydrophobicContact CG-CD2 3.99Å; F12-L21 HydrophobicContact CZ-CD2 4.36Å; G17-L21 PolarHBondContact O-N 3.45Å; S18-L21 PolarHBondContact O-N 3.3Å; L21-L24 PolarHBondContact O-N 2.94Å; L21-L25 HydrophobicContact CD1-CD1 3.94Å; L21-L25 HydrophobicContact CD1-CG 4.36Å; L21-L25 HydrophobicContact CG-CD1 3.97Å; L21-L25 WeakPolarHBondContact O-CB 3.32Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3.43Å; L21-I49 HydrophobicContact CD1-CG2 4.43Å; L21-I49 HydrophobicContact CD2-CD1 4.19Å; L21-V51 HydrophobicContact CD1-CG2 3.81Å
22G66.6Low61.4Low21 Ų2187.9 Ų87.922%0.21648%0.478CS..Hα-helixtrans-58.6-49.4174.300000111.7S18 Q19 L25 T26S18-G22 PolarHBondContact O-N 3.33Å; Q19-G22 PolarHBondContact O-N 2.92Å; G22-L25 CarbonylContact O-C 3.56Å; G22-L25 PolarHBondContact O-N 3.36Å; G22-T26 WeakPolarHBondContact O-CB 3.49Å; G22-T26 PolarHBondContact O-N 2.99Å; G22-T26 PolarHBondContact O-OG1 2.79Å
23D66.4Low59.9Low73 Ų7390.8 Ų90.839%0.3950%0.5SS..Hα-helixtrans-57-50.9176-71.7-17.5000111.2Q19 K20 L25 T26 F27Q19-D23 WeakPolarHBondContact O-CB 3.11Å; Q19-D23 PolarHBondContact O-N 3.25Å; K20-D23 PolarHBondContact O-N 2.94Å; D23-L25 PolarHBondContact O-N 3.08Å; D23-T26 PolarHBondContact O-N 3.22Å; D23-T26 VanDerWaalsContact O-N 3.13Å; D23-F27 HydrophobicContact CB-CE2 3.92Å; D23-F27 WeakPolarHBondContact O-CD2 3.42Å; D23-F27 WeakPolarHBondContact O-CE2 3.48Å
24L67.9Low58.9Low59 Ų5988.8 Ų88.831%0.30949%0.488SS..Hα-helixtrans-60.2-29.3178.9-73.9-178.3000113.4K20 L21 I35 V51K20-L24 VanDerWaalsContact O-CB 3.31Å; K20-L24 WeakPolarHBondContact O-CB 3.34Å; K20-L24 WeakPolarHBondContact O-CG 3.49Å; K20-L24 PolarHBondContact O-N 3.3Å; L21-L24 PolarHBondContact O-N 2.94Å; L24-I35 HydrophobicContact CB-CD1 3.82Å; L24-I35 HydrophobicContact CD1-CD1 4.12Å; L24-I35 HydrophobicContact CD2-CD1 3.6Å; L24-I35 HydrophobicContact CG-CD1 4.02Å; L24-V51 HydrophobicContact CD1-CG1 4.49Å
25L65.8Low58Low29 Ų2984.8 Ų84.815%0.15247%0.466CS..Hα-helixtrans-90.9-14.4178.7-65.6173.3000113.7F12 L21 G22 D23 L37 V40F12-L25 HydrophobicContact CD2-CD1 4.34Å; F12-L25 HydrophobicContact CE2-CD1 3.46Å; F12-L25 VanDerWaalsContact CE2-CD1 3.46Å; F12-L25 HydrophobicContact CZ-CD1 3.86Å; L21-L25 HydrophobicContact CD1-CD1 3.94Å; L21-L25 HydrophobicContact CD1-CG 4.36Å; L21-L25 HydrophobicContact CG-CD1 3.97Å; L21-L25 WeakPolarHBondContact O-CB 3.32Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3.43Å; G22-L25 CarbonylContact O-C 3.56Å; G22-L25 PolarHBondContact O-N 3.36Å; D23-L25 PolarHBondContact O-N 3.08Å; L25-L37 HydrophobicContact CD2-CD2 4.22Å; L25-V40 HydrophobicContact CD2-CG2 4.34Å
26T56.4Low57.5Low79 Ų7988.9 Ų88.949%0.48549%0.485SS..Hα-helixtrans-107.56.6-172.446.20000117.2G22 D23 S28G22-T26 WeakPolarHBondContact O-CB 3.49Å; G22-T26 PolarHBondContact O-N 2.99Å; G22-T26 PolarHBondContact O-OG1 2.79Å; D23-T26 PolarHBondContact O-N 3.22Å; D23-T26 VanDerWaalsContact O-N 3.13Å; T26-S28 PolarHBondContact O-N 3.33Å
27F45.5Very low57.3Low145 Ų14585.4 Ų85.464%0.63645%0.451SS*.  trans-83.6116-177.1-78.2-71.8000116.1D23 R34D23-F27 HydrophobicContact CB-CE2 3.92Å; D23-F27 WeakPolarHBondContact O-CD2 3.42Å; D23-F27 WeakPolarHBondContact O-CE2 3.48Å; F27-R34 PolarHBondContact O-NE 3.14Å
28S42.8Very low57Low82 Ų8285.8 Ų85.857%0.57345%0.448SS*.  trans5.4144.9162.8-167.10000121T26 D30 R34T26-S28 PolarHBondContact O-N 3.33Å; S28-D30 PolarHBondContact O-N 3.23Å; S28-R34 PolarHBondContact O-NE 3.21Å; S28-R34 PolarHBondContact O-NH2 2.83Å
29K45.3Very low57.2Low182 Ų18284.2 Ų84.279%0.79144%0.436SS*.THydrogen-bonded Turntrans-61.8-5.9-175.6-83.6-172.5175.8-172.40117.3R34K29-R34 PolarHBondContact O-NH2 3.47Å
30D40.6Very low57.7Low138 Ų13877 Ų7774%0.73840%0.403SS*.THydrogen-bonded Turntrans-113.60.3-165.9-62-31.7000117.7S28S28-D30 PolarHBondContact O-N 3.23Å
31E41.5Very low58.2Low127 Ų12774.7 Ų74.759%0.59339%0.391SS*.  trans-107131.6-179.8-81.1-69.915100114.4S33E31-S33 PolarHBondContact O-N 3.34Å; E31-S33 VanDerWaalsContact O-N 3.14Å
32P40.3Very low58.6Low128 Ų12874.7 Ų74.783%0.83139%0.392SS*.THydrogen-bonded Turntrans-70.2-2.5178.126.8-33.6000114.8
33S43.8Very low59Low71 Ų7174 Ų7450%0.49738%0.384SS..THydrogen-bonded Turntrans-9617.3-178.260.10000114.3E31 I35E31-S33 PolarHBondContact O-N 3.34Å; E31-S33 VanDerWaalsContact O-N 3.14Å; S33-I35 PolarHBondContact O-N 3.14Å
34R53.3Low59.3Low113 Ų11371 Ų7143%0.42637%0.369SS..PPolyproline II helixtrans-64.3134.9179.9-76.4-149.5-166.394.371.8113.3F27 S28 K29 K36F27-R34 PolarHBondContact O-NE 3.14Å; S28-R34 PolarHBondContact O-NE 3.21Å; S28-R34 PolarHBondContact O-NH2 2.83Å; K29-R34 PolarHBondContact O-NH2 3.47Å; R34-K36 PolarHBondContact O-N 3.07Å
35I54.7Low59.4Low35 Ų3571.7 Ų71.718%0.17937%0.373CS..PPolyproline II helixtrans-65.1119158.1-63.1166.7000106.5L24 S33 D39 V51 L53L24-I35 HydrophobicContact CB-CD1 3.82Å; L24-I35 HydrophobicContact CD1-CD1 4.12Å; L24-I35 HydrophobicContact CD2-CD1 3.6Å; L24-I35 HydrophobicContact CG-CD1 4.02Å; S33-I35 PolarHBondContact O-N 3.14Å; I35-D39 HydrophobicContact CG2-CB 3.98Å; I35-V51 HydrophobicContact CD1-CG1 3.93Å; I35-V51 HydrophobicContact CG2-CG1 3.7Å; I35-L53 HydrophobicContact CD1-CD2 3.38Å; I35-L53 HydrophobicContact CG1-CD2 3.9Å
36K62.6Low59.6Low123 Ų12370.9 Ų70.954%0.53537%0.371SS..PPolyproline II helixtrans-79.8148.2174.7-65.2-177.5179.5-171.20107.4R34 S38 D39R34-K36 PolarHBondContact O-N 3.07Å; K36-S38 WeakPolarHBondContact CB-OG 3.28Å; K36-S38 PolarHBondContact O-N 3.5Å; K36-D39 PolarHBondContact N-OD2 2.9Å; K36-D39 WeakPolarHBondContact O-CA 3.5Å; K36-D39 VanDerWaalsContact O-CB 3.24Å; K36-D39 WeakPolarHBondContact O-CB 3.45Å; K36-D39 PolarHBondContact O-N 3.41Å
37L63.2Low60.5Low33 Ų3375 Ų7517%0.17338%0.378CS..G310 helixtrans-51.6-31.9171.6-74.1169.8000111.1L25 D39 V40 L362L25-L37 HydrophobicContact CD2-CD2 4.22Å; L37-D39 PolarHBondContact O-N 3.34Å; L37-V40 PolarHBondContact O-N 2.9Å; L37-L362 HydrophobicContact CB-CB 4.34Å; L37-L362 HydrophobicContact CB-CD2 4.15Å; L37-L362 WeakPolarHBondContact O-CD2 3.48Å
38S63.2Low62.2Low48 Ų4870 Ų7034%0.33636%0.356SS..G310 helixtrans-58.1-12.6172.264.30000116.1K36 R41K36-S38 WeakPolarHBondContact CB-OG 3.28Å; K36-S38 PolarHBondContact O-N 3.5Å; S38-R41 PolarHBondContact O-NH1 2.73Å
39D74.1Confident63.9Low7 Ų767.6 Ų67.64%0.03734%0.336CS..G310 helixtrans-94.10.8178.5-63.4-34.4000112.4I35 K36 L37 L52 R54I35-D39 HydrophobicContact CG2-CB 3.98Å; K36-D39 PolarHBondContact N-OD2 2.9Å; K36-D39 WeakPolarHBondContact O-CA 3.5Å; K36-D39 VanDerWaalsContact O-CB 3.24Å; K36-D39 WeakPolarHBondContact O-CB 3.45Å; K36-D39 PolarHBondContact O-N 3.41Å; L37-D39 PolarHBondContact O-N 3.34Å; D39-L52 HydrophobicContact CB-CB 4Å; D39-L52 VanDerWaalsContact O-CB 3.29Å; D39-L52 WeakPolarHBondContact O-CB 3.48Å; D39-L52 WeakPolarHBondContact O-CG 3.33Å; D39-L52 PolarHBondContact O-N 3.3Å; D39-R54 IonicContact OD1-CZ 3.11Å; D39-R54 IonicContact OD1-NE 2.65Å; D39-R54 PolarHBondContact OD1-NE 2.97Å; D39-R54 IonicContact OD1-NH2 3.29Å; D39-R54 PolarHBondContact OD1-NH2 2.79Å; D39-R54 IonicContact OD2-NE 2.77Å
40V78Confident65.6Low1 Ų161.2 Ų61.21%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-96.9137176.6-173.20000110.1L25 L37 I49 H50 V51 Y364 L376L25-V40 HydrophobicContact CD2-CG2 4.34Å; L37-V40 PolarHBondContact O-N 2.9Å; V40-I49 HydrophobicContact CG1-CG2 3.51Å; V40-H50 CarbonylContact C-O 3.55Å; V40-H50 WeakPolarHBondContact CA-O 3.47Å; V40-V51 HydrophobicContact CG2-CG2 4.34Å; V40-Y364 VanDerWaalsContact C-OH 3.25Å; V40-Y364 WeakPolarHBondContact CB-OH 3.35Å; V40-Y364 PolarHBondContact O-OH 3.39Å; V40-L376 HydrophobicContact CB-CD2 4.19Å; V40-L376 HydrophobicContact CG1-CD2 3.58Å
41R80.1Confident67.4Low54 Ų5456.5 Ų56.520%0.20429%0.285CS..EExtended strand (participates in β ladder)trans-124.8132.6173.3-61.6-69.6177.4-87.70.7109S38 H50 L52 D82 V83S38-R41 PolarHBondContact O-NH1 2.73Å; R41-H50 HydrophobicContact CB-CB 4.3Å; R41-H50 PolarHBondContact N-O 2.91Å; R41-H50 PolarHBondContact O-N 2.82Å; R41-L52 HydrophobicContact CG-CD1 4.35Å; R41-D82 IonicContact CZ-OD1 3.51Å; R41-D82 IonicContact CZ-OD2 3.21Å; R41-D82 IonicContact NE-OD1 3.11Å; R41-D82 PolarHBondContact NE-OD1 3.18Å; R41-D82 IonicContact NE-OD2 2.92Å; R41-D82 VanDerWaalsContact NH2-CG 3.27Å; R41-D82 IonicContact NH2-OD1 3.99Å; R41-D82 PolarHBondContact NH2-OD1 2.83Å; R41-D82 IonicContact NH2-OD2 3.36Å; R41-D82 PolarHBondContact NH2-OD2 2.83Å; R41-V83 HydrophobicContact CG-CB 4.41Å
42V78.1Confident69.2Low20 Ų2050.8 Ų50.812%0.12126%0.259CS..EExtended strand (participates in β ladder)trans-104.2138174.2-174.40000108H48 Y364V42-H48 WeakPolarHBondContact CA-O 3.35Å; V42-Y364 HydrophobicContact CG2-CD2 4.18Å; V42-Y364 HydrophobicContact CG2-CE2 3.99Å; V42-Y364 HydrophobicContact CG2-CG 4.5Å
43S76.6Confident70.7Confident6 Ų649.3 Ų49.34%0.04224%0.244CC..  trans-66.5154176.358.80000112.2D45 G46 R47 H48 Y85S43-D45 VanDerWaalsContact CB-OD1 3.23Å; S43-D45 WeakPolarHBondContact CB-OD1 3.21Å; S43-D45 PolarHBondContact O-N 3.44Å; S43-D45 VanDerWaalsContact O-N 3.11Å; S43-D45 PolarHBondContact OG-OD1 3.04Å; S43-G46 PolarHBondContact O-N 3.44Å; S43-R47 PolarHBondContact OG-N 2.81Å; S43-H48 PolarHBondContact N-O 3Å; S43-H48 PolarHBondContact OG-N 3.23Å; S43-H48 PolarHBondContact OG-O 2.8Å; S43-Y85 VanDerWaalsContact CA-CZ 3.47Å; S43-Y85 VanDerWaalsContact CA-OH 3.28Å; S43-Y85 WeakPolarHBondContact CA-OH 3.4Å; S43-Y85 WeakPolarHBondContact CB-OH 3.32Å; S43-Y85 PolarHBondContact N-OH 2.75Å
44P72.3Confident71.5Confident12 Ų1251.6 Ų51.68%0.07824%0.241CC..THydrogen-bonded Turntrans-53.6-31.2179.4-32.439.6000114.6Y85 V98 N366 Q367P44-Y85 HydrophobicContact CG-CD1 4.41Å; P44-Y85 HydrophobicContact CG-CD2 3.97Å; P44-Y85 HydrophobicContact CG-CG 3.81Å; P44-V98 HydrophobicContact CG-CG1 4.38Å; P44-N366 PolarHBondContact O-OD1 3Å; P44-Q367 HydrophobicContact CB-CB 4.05Å; P44-Q367 HydrophobicContact CG-CB 4.41Å
45D68.9Low71.6Confident73 Ų7352.7 Ų52.739%0.3925%0.251SS..THydrogen-bonded Turntrans-89.9-1.1179.264.6-5.6000113.7S43 R47S43-D45 VanDerWaalsContact CB-OD1 3.23Å; S43-D45 WeakPolarHBondContact CB-OD1 3.21Å; S43-D45 PolarHBondContact O-N 3.44Å; S43-D45 VanDerWaalsContact O-N 3.11Å; S43-D45 PolarHBondContact OG-OD1 3.04Å; D45-R47 HydrophobicContact CB-CG 4.26Å; D45-R47 PolarHBondContact O-N 2.78Å; D45-R47 PolarHBondContact OD1-N 3.5Å; D45-R47 VanDerWaalsContact OD1-N 3.11Å; D45-R47 WeakPolarHBondContact OD2-CD 3.4Å
46G70.8Confident71.2Confident11 Ų1155.2 Ų55.211%0.11327%0.27CS..SBendtrans71.80-178.300000115.3Y15 S43Y15-G46 PolarHBondContact OH-O 3.31Å; Y15-G46 VanDerWaalsContact OH-O 3.13Å; S43-G46 PolarHBondContact O-N 3.44Å
47R75.8Confident70.1Confident167 Ų16756.3 Ų56.363%0.6328%0.275SS*.SBendtrans-81.5-19.8-172.6-63.1-174.3179.6-179.6-1.2113.9S43 D45S43-R47 PolarHBondContact OG-N 2.81Å; D45-R47 HydrophobicContact CB-CG 4.26Å; D45-R47 PolarHBondContact O-N 2.78Å; D45-R47 PolarHBondContact OD1-N 3.5Å; D45-R47 VanDerWaalsContact OD1-N 3.11Å; D45-R47 WeakPolarHBondContact OD2-CD 3.4Å
48H79.7Confident68.8Low38 Ų3863.9 Ų63.918%0.17631%0.309CS..  trans-129.1136-175.4-53.5-68.7000111.2V42 S43 F114 W121V42-H48 WeakPolarHBondContact CA-O 3.35Å; S43-H48 PolarHBondContact N-O 3Å; S43-H48 PolarHBondContact OG-N 3.23Å; S43-H48 PolarHBondContact OG-O 2.8Å; H48-F114 AromaticContact CE1-CD2 3.91Å; H48-F114 AromaticContact CE1-CE2 3.53Å; H48-F114 AromaticContact CE1-CZ 3.66Å; H48-F114 AromaticContact NE2-CD1 3.97Å; H48-F114 AromaticContact NE2-CD2 3.88Å; H48-F114 AromaticContact NE2-CE1 3.98Å; H48-F114 AromaticContact NE2-CE2 3.9Å; H48-F114 AromaticContact NE2-CG 3.92Å; H48-F114 AromaticContact NE2-CZ 3.95Å; H48-W121 HydrophobicContact CB-CZ2 4.5Å; H48-W121 AromaticContact CD2-CZ2 3.84Å
49I79.2Confident67.4Low32 Ų3267.9 Ų67.916%0.16432%0.322CS..EExtended strand (participates in β ladder)trans-116.5121.1172.6-59.3175.6000107.2F12 Y15 L21 V40 V51 L376F12-I49 HydrophobicContact CD1-CD1 4.39Å; F12-I49 HydrophobicContact CE1-CD1 3.92Å; Y15-I49 HydrophobicContact CD1-CD1 4.17Å; Y15-I49 HydrophobicContact CD1-CG1 4.37Å; Y15-I49 HydrophobicContact CD2-CD1 4.35Å; Y15-I49 HydrophobicContact CE1-CD1 3.73Å; Y15-I49 HydrophobicContact CE1-CG1 3.81Å; Y15-I49 HydrophobicContact CE2-CD1 3.89Å; Y15-I49 HydrophobicContact CG-CD1 4.47Å; L21-I49 HydrophobicContact CD1-CG2 4.43Å; L21-I49 HydrophobicContact CD2-CD1 4.19Å; V40-I49 HydrophobicContact CG1-CG2 3.51Å; I49-V51 HydrophobicContact CG2-CG2 4.45Å; I49-L376 HydrophobicContact CD1-CD1 4.18Å
50H81.9Confident65.3Low48 Ų4879 Ų7922%0.22236%0.364CS..EExtended strand (participates in β ladder)trans-107.3131.7177.6-59.3-96.9000109.3V40 R41 Y85 W121V40-H50 CarbonylContact C-O 3.55Å; V40-H50 WeakPolarHBondContact CA-O 3.47Å; R41-H50 HydrophobicContact CB-CB 4.3Å; R41-H50 PolarHBondContact N-O 2.91Å; R41-H50 PolarHBondContact O-N 2.82Å; H50-Y85 PolarHBondContact CD2-OH 3.44Å; H50-Y85 PolarHBondContact NE2-OH 3.03Å; H50-Y85 VanDerWaalsContact NE2-OH 3.11Å; H50-W121 AromaticContact CE1-CE2 3.87Å; H50-W121 AromaticContact CE1-CZ2 3.95Å; H50-W121 AromaticContact CE1-NE1 3.77Å; H50-W121 AromaticContact NE2-CZ2 3.8Å
51V78.5Confident63.1Low39 Ų3984.2 Ų84.224%0.23640%0.398CS..EExtended strand (participates in β ladder)trans-116.3119.1179.7-175.90000108.9L21 L24 I35 V40 I49 L53L21-V51 HydrophobicContact CD1-CG2 3.81Å; L24-V51 HydrophobicContact CD1-CG1 4.49Å; I35-V51 HydrophobicContact CD1-CG1 3.93Å; I35-V51 HydrophobicContact CG2-CG1 3.7Å; V40-V51 HydrophobicContact CG2-CG2 4.34Å; I49-V51 HydrophobicContact CG2-CG2 4.45Å; V51-L53 HydrophobicContact CG1-CD2 4.45Å; V51-L53 PolarHBondContact O-N 3.46Å
52L77.8Confident60.6Low7 Ų790.5 Ų90.54%0.03743%0.429CS..  trans-81.7110.3-179.1-70.1157000110.3D39 R41 R54 I80 V83D39-L52 HydrophobicContact CB-CB 4Å; D39-L52 VanDerWaalsContact O-CB 3.29Å; D39-L52 WeakPolarHBondContact O-CB 3.48Å; D39-L52 WeakPolarHBondContact O-CG 3.33Å; D39-L52 PolarHBondContact O-N 3.3Å; R41-L52 HydrophobicContact CG-CD1 4.35Å; L52-R54 PolarHBondContact O-N 2.99Å; L52-I80 HydrophobicContact CD2-CB 3.86Å; L52-I80 HydrophobicContact CD2-CD1 4.4Å; L52-I80 HydrophobicContact CD2-CG2 3.34Å; L52-V83 HydrophobicContact CD2-CG2 3.91Å
53L72.1Confident58.4Low98 Ų9897.3 Ų97.351%0.51346%0.464SS..  trans-91.4102.1175-59.8177.6000109.7I35 V51 Q55I35-L53 HydrophobicContact CD1-CD2 3.38Å; I35-L53 HydrophobicContact CG1-CD2 3.9Å; V51-L53 HydrophobicContact CG1-CD2 4.45Å; V51-L53 PolarHBondContact O-N 3.46Å; L53-Q55 VanDerWaalsContact C-N 3.27Å; L53-Q55 PolarHBondContact O-N 3.18Å
54R61.7Low56Low119 Ų119101.3 Ų101.345%0.44950%0.498SS..SBendtrans-77.4-6.5-176.6-60.6-173.8-171-128.4-4.1114.7D39 L52D39-R54 IonicContact OD1-CZ 3.11Å; D39-R54 IonicContact OD1-NE 2.65Å; D39-R54 PolarHBondContact OD1-NE 2.97Å; D39-R54 IonicContact OD1-NH2 3.29Å; D39-R54 PolarHBondContact OD1-NH2 2.79Å; D39-R54 IonicContact OD2-NE 2.77Å; L52-R54 PolarHBondContact O-N 2.99Å
55Q55.5Low54Low135 Ų135108.7 Ų108.763%0.63154%0.536SS*.SBendtrans-130.8130.9173.1-69.7-175.9-4.300109.9L53 K57L53-Q55 VanDerWaalsContact C-N 3.27Å; L53-Q55 PolarHBondContact O-N 3.18Å; Q55-K57 PolarHBondContact O-N 3.08Å
56P45.5Very low52Low89 Ų89108.3 Ų108.358%0.57854%0.538SS*.  trans-70.2117.4171.127.3-29.9000108.9H58P56-H58 PolarHBondContact O-N 3.39Å
57K40.5Very low50.3Low146 Ų146114.2 Ų114.264%0.63558%0.575SS**  trans-65.4117.7161.6-72.6-173.9177-177.20107Q55 E59Q55-K57 PolarHBondContact O-N 3.08Å; K57-E59 PolarHBondContact O-N 3.28Å
58H35.7Very low48.3Very low191 Ų191115.9 Ų115.988%0.88459%0.587SS**  trans-7174.4169.9-84.9-67.4000109.6P56P56-H58 PolarHBondContact O-N 3.39Å
59E33.5Very low46.4Very low132 Ų132121.1 Ų121.162%0.61761%0.609SS**  trans-98.8128.8161.5-77.1-176.3175.900109K57 W73K57-E59 PolarHBondContact O-N 3.28Å; E59-W73 HydrophobicContact CB-CH2 4.4Å
60R29.4Very low44.7Very low241 Ų241126 Ų12691%0.90964%0.635SS**  trans-55.9129.3174.9-104.6175.1173.2166.7-2.2108.9Q62R60-Q62 PolarHBondContact O-N 2.95Å; R60-Q62 VanDerWaalsContact O-N 3.07Å
61P32.3Very low42.6Very low111 Ų111128 Ų12872%0.72165%0.647SS**  trans-70.1109.5-179.225.9-30.8000110.1L63P61-L63 PolarHBondContact O-N 3.03Å
62Q27.6Very low40.8Very low186 Ų186129.1 Ų129.187%0.86965%0.654SS**  trans-77.8113.2156.3-71.7-170.4-6.200107.4R60 A64R60-Q62 PolarHBondContact O-N 2.95Å; R60-Q62 VanDerWaalsContact O-N 3.07Å; Q62-A64 PolarHBondContact O-N 3.25Å
63L31.2Very low39Very low162 Ų162136 Ų13685%0.84868%0.679SS**  trans-62.1103.5170.2-99.7102.3000108.9P61P61-L63 PolarHBondContact O-N 3.03Å
64A25.6Very low37.7Very low91 Ų91135.7 Ų135.775%0.75267%0.674SS**  trans-129.692.515900000108.2Q62 S66Q62-A64 PolarHBondContact O-N 3.25Å; A64-S66 PolarHBondContact O-N 3.38Å; A64-S66 VanDerWaalsContact O-N 3.08Å
65L30.7Very low36.4Very low167 Ų167140.3 Ų140.387%0.87470%0.697SS**  trans-67.698.8166.8-86.5150000108.1
66S27.5Very low35.9Very low64 Ų64136.1 Ų136.145%0.44869%0.691SS.*  trans-101119.9162.581.50000108.6A64 K68 K69A64-S66 PolarHBondContact O-N 3.38Å; A64-S66 VanDerWaalsContact O-N 3.08Å; S66-K68 PolarHBondContact O-N 3.02Å; S66-K69 PolarHBondContact O-N 3.35Å
67P34.3Very low36.6Very low136 Ų136135.6 Ų135.688%0.88370%0.702SS**THydrogen-bonded Turntrans-7412.8-170.328.9-34.4000114.5
68K34.3Very low38.1Very low201 Ų201131.4 Ų131.487%0.87469%0.688SS**THydrogen-bonded Turntrans-125.4-1.2-178.7-70.3-174.5175.9-177.50114.3S66S66-K68 PolarHBondContact O-N 3.02Å
69K38.8Very low40.3Very low148 Ų148124 Ų12464%0.64366%0.658SS**  trans-138109.1-179.6-75.8179.5175.1178.40109.2S66 D71S66-K69 PolarHBondContact O-N 3.35Å; K69-D71 PolarHBondContact O-N 2.85Å
70L43.8Very low42.8Very low136 Ų136118.9 Ų118.971%0.71264%0.635SS**  trans-95.183.3168.5-95.3133.2000108.3V72L70-V72 HydrophobicContact CB-CG2 4.02Å; L70-V72 HydrophobicContact CD2-CG2 3.59Å; L70-V72 HydrophobicContact CG-CG2 4.44Å; L70-V72 PolarHBondContact O-N 3.32Å; L70-V72 VanDerWaalsContact O-N 3.1Å
71D38.2Very low45.5Very low89 Ų89108.3 Ų108.348%0.47660%0.597SS.*  trans-67.794.7147.1-73.4-47.3000105.5K20 K69 W73K20-D71 VanDerWaalsContact NZ-CG 3.3Å; K20-D71 IonicContact NZ-OD1 2.82Å; K20-D71 PolarHBondContact NZ-OD1 3Å; K20-D71 IonicContact NZ-OD2 3.15Å; K20-D71 PolarHBondContact NZ-OD2 3.17Å; K69-D71 PolarHBondContact O-N 2.85Å; D71-W73 VanDerWaalsContact C-N 3.28Å; D71-W73 PolarHBondContact O-N 3.07Å
72V41.8Very low48.2Very low62 Ų62104.8 Ų104.838%0.37657%0.572SS.*  trans-75.687.6174.8-174.20000107.7L70 F74L70-V72 HydrophobicContact CB-CG2 4.02Å; L70-V72 HydrophobicContact CD2-CG2 3.59Å; L70-V72 HydrophobicContact CG-CG2 4.44Å; L70-V72 PolarHBondContact O-N 3.32Å; L70-V72 VanDerWaalsContact O-N 3.1Å; V72-F74 HydrophobicContact CB-CE2 4.26Å; V72-F74 HydrophobicContact CB-CZ 4.25Å; V72-F74 HydrophobicContact CG1-CD1 3.91Å; V72-F74 HydrophobicContact CG1-CD2 4.18Å; V72-F74 HydrophobicContact CG1-CE1 3.61Å; V72-F74 HydrophobicContact CG1-CE2 3.89Å; V72-F74 HydrophobicContact CG1-CG 4.19Å; V72-F74 HydrophobicContact CG1-CZ 3.6Å; V72-F74 WeakPolarHBondContact O-CD2 3.4Å; V72-F74 PolarHBondContact O-N 3.1Å
73W38.8Very low51.1Low152 Ų15296.5 Ų96.558%0.57653%0.534SS*.  trans-75.5100.1165.8-70.871.9000107.6E59 D71 K75E59-W73 HydrophobicContact CB-CH2 4.4Å; D71-W73 VanDerWaalsContact C-N 3.28Å; D71-W73 PolarHBondContact O-N 3.07Å; W73-K75 PolarHBondContact O-N 2.88Å
74F44.4Very low53.7Low92 Ų9290.1 Ų90.140%0.40450%0.499SS..  trans-63.8117.2178.7-65.7-83.1000110V72 G76 I80 Y104 W112V72-F74 HydrophobicContact CB-CE2 4.26Å; V72-F74 HydrophobicContact CB-CZ 4.25Å; V72-F74 HydrophobicContact CG1-CD1 3.91Å; V72-F74 HydrophobicContact CG1-CD2 4.18Å; V72-F74 HydrophobicContact CG1-CE1 3.61Å; V72-F74 HydrophobicContact CG1-CE2 3.89Å; V72-F74 HydrophobicContact CG1-CG 4.19Å; V72-F74 HydrophobicContact CG1-CZ 3.6Å; V72-F74 WeakPolarHBondContact O-CD2 3.4Å; V72-F74 PolarHBondContact O-N 3.1Å; F74-G76 VanDerWaalsContact C-N 3.34Å; F74-G76 PolarHBondContact O-N 2.78Å; F74-I80 HydrophobicContact CD2-CD1 4.42Å; F74-I80 HydrophobicContact CE2-CD1 4.35Å; F74-Y104 WeakPolarHBondContact CD1-OH 3.37Å; F74-Y104 WeakPolarHBondContact CE1-OH 3.36Å; F74-W112 HydrophobicContact CE1-CZ2 4.26Å
75K35.7Very low56.4Low215 Ų21586.8 Ų86.894%0.93547%0.467SS*.SBendtrans-74.387.7170.3-83.6-176.1175.6178.60109.1W73W73-K75 PolarHBondContact O-N 2.88Å
76G45Very low58.7Low48 Ų4879.4 Ų79.450%0.49543%0.429SS..SBendtrans173.9121.817000000110F74 V78F74-G76 VanDerWaalsContact C-N 3.34Å; F74-G76 PolarHBondContact O-N 2.78Å; G76-V78 PolarHBondContact O-N 3.38Å
77G58.9Low60.5Low78 Ų7880.1 Ų80.180%0.80443%0.428SS*.SBendtrans-70.236.2179.600000114.4
78V71.6Confident61.4Low58 Ų5875.5 Ų75.535%0.35240%0.395SS..  trans-114.8126.2-177.9-174.30000109.2G76 E105 N106G76-V78 PolarHBondContact O-N 3.38Å; V78-E105 HydrophobicContact CG1-CB 4.24Å; V78-N106 HydrophobicContact CG1-CB 3.88Å
79S82.6Confident61.7Low36 Ų3671.6 Ų71.625%0.25238%0.383SS..  trans-67.5146.7-178.2-54.90000112.5E105S79-E105 WeakPolarHBondContact CB-OE1 3.12Å; S79-E105 PolarHBondContact O-N 2.99Å
80I86.5Confident61.7Low24 Ų2473.6 Ų73.612%0.12340%0.395CS..EExtended strand (participates in β ladder)trans-84133.8172.8-57171.4000108.8L52 F74 V83 V102 V103 Y104L52-I80 HydrophobicContact CD2-CB 3.86Å; L52-I80 HydrophobicContact CD2-CD1 4.4Å; L52-I80 HydrophobicContact CD2-CG2 3.34Å; F74-I80 HydrophobicContact CD2-CD1 4.42Å; F74-I80 HydrophobicContact CE2-CD1 4.35Å; I80-V83 HydrophobicContact CG2-CG2 4.44Å; I80-V102 HydrophobicContact CD1-CG1 4.18Å; I80-V102 HydrophobicContact CG1-CG1 4.33Å; I80-V102 HydrophobicContact CG2-CG1 3.88Å; I80-V103 WeakPolarHBondContact CG2-O 3.33Å; I80-Y104 HydrophobicContact CD1-CE1 4.46Å; I80-Y104 HydrophobicContact CG1-CD1 4.03Å; I80-Y104 HydrophobicContact CG1-CE1 3.81Å
81V86.8Confident61.2Low19 Ų1973.2 Ų73.212%0.11539%0.393CS..EExtended strand (participates in β ladder)trans-80.6-57.1176.1178.90000110.2V103 E105 V137 V140V81-V103 PolarHBondContact N-O 3.1Å; V81-E105 HydrophobicContact CG2-CB 4.29Å; V81-E105 HydrophobicContact CG2-CG 3.69Å; V81-V137 HydrophobicContact CG1-CG1 4.31Å; V81-V137 HydrophobicContact CG2-CB 4.18Å; V81-V137 HydrophobicContact CG2-CG1 4.17Å; V81-V137 VanDerWaalsContact CG2-O 3.26Å; V81-V137 WeakPolarHBondContact CG2-O 3.46Å; V81-V140 HydrophobicContact CG1-CG1 4.2Å
82D88.4Confident61Low37 Ų3779.6 Ų79.620%0.19842%0.416CS..EExtended strand (participates in β ladder)trans-160.3165.1178.8-144.2-26.1000112.3R41 V103 V140R41-D82 IonicContact CZ-OD1 3.51Å; R41-D82 IonicContact CZ-OD2 3.21Å; R41-D82 IonicContact NE-OD1 3.11Å; R41-D82 PolarHBondContact NE-OD1 3.18Å; R41-D82 IonicContact NE-OD2 2.92Å; R41-D82 VanDerWaalsContact NH2-CG 3.27Å; R41-D82 IonicContact NH2-OD1 3.99Å; R41-D82 PolarHBondContact NH2-OD1 2.83Å; R41-D82 IonicContact NH2-OD2 3.36Å; R41-D82 PolarHBondContact NH2-OD2 2.83Å; D82-V103 PolarHBondContact O-N 3.46Å; D82-V103 VanDerWaalsContact O-N 3.11Å; D82-V140 HydrophobicContact CB-CG1 3.9Å
83V88.2Confident60.7Low12 Ų1279.6 Ų79.67%0.07343%0.429CS..EExtended strand (participates in β ladder)trans-124.5129169.2179.30000109.5R41 L52 I80 V101 V102R41-V83 HydrophobicContact CG-CB 4.41Å; L52-V83 HydrophobicContact CD2-CG2 3.91Å; I80-V83 HydrophobicContact CG2-CG2 4.44Å; V83-V101 VanDerWaalsContact CA-O 3.3Å; V83-V101 WeakPolarHBondContact CA-O 3.26Å; V83-V102 HydrophobicContact CG2-CB 4.44Å; V83-V102 HydrophobicContact CG2-CG1 4.24Å; V83-V102 HydrophobicContact CG2-CG2 4.06Å
84F85.6Confident60.6Low28 Ų2880.8 Ų80.812%0.12344%0.438CS..EExtended strand (participates in β ladder)trans-141.3171.5176.953.8-95.2000110.9L86 V101 V103 V140 V142 L147F84-L86 HydrophobicContact CE2-CD2 4.44Å; F84-V101 HydrophobicContact CD2-CB 3.89Å; F84-V101 HydrophobicContact CD2-CG2 4.1Å; F84-V101 HydrophobicContact CE1-CB 4.4Å; F84-V101 HydrophobicContact CE1-CG1 4.4Å; F84-V101 HydrophobicContact CE2-CB 3.39Å; F84-V101 HydrophobicContact CE2-CG1 3.75Å; F84-V101 HydrophobicContact CE2-CG2 3.63Å; F84-V101 HydrophobicContact CZ-CB 3.69Å; F84-V101 HydrophobicContact CZ-CG1 3.6Å; F84-V101 HydrophobicContact CZ-CG2 4.36Å; F84-V101 PolarHBondContact N-O 3.2Å; F84-V101 PolarHBondContact O-N 3.15Å; F84-V103 HydrophobicContact CE1-CG2 3.68Å; F84-V103 HydrophobicContact CZ-CG2 3.88Å; F84-V140 HydrophobicContact CD1-CG1 4.22Å; F84-V140 HydrophobicContact CE1-CB 4.31Å; F84-V140 HydrophobicContact CE1-CG1 3.66Å; F84-V140 HydrophobicContact CE1-CG2 3.68Å; F84-V140 HydrophobicContact CZ-CG2 4Å; F84-V142 HydrophobicContact CD2-CB 4.41Å; F84-V142 HydrophobicContact CD2-CG2 3.27Å; F84-V142 HydrophobicContact CE2-CB 4.49Å; F84-V142 HydrophobicContact CE2-CG2 3.07Å; F84-V142 HydrophobicContact CG-CG2 4.19Å; F84-V142 HydrophobicContact CZ-CG2 3.86Å; F84-L147 HydrophobicContact CE2-CD2 3.64Å; F84-L147 HydrophobicContact CZ-CD2 3.46Å; F84-L147 VanDerWaalsContact CZ-CD2 3.46Å
85Y81.8Confident60.5Low21 Ų2180.9 Ų80.98%0.08247%0.465CS..EExtended strand (participates in β ladder)trans-117.8134.9-173.8-58.2-87.4000110.7S43 P44 H50 V98 V99 A100 W121S43-Y85 VanDerWaalsContact CA-CZ 3.47Å; S43-Y85 VanDerWaalsContact CA-OH 3.28Å; S43-Y85 WeakPolarHBondContact CA-OH 3.4Å; S43-Y85 WeakPolarHBondContact CB-OH 3.32Å; S43-Y85 PolarHBondContact N-OH 2.75Å; P44-Y85 HydrophobicContact CG-CD1 4.41Å; P44-Y85 HydrophobicContact CG-CD2 3.97Å; P44-Y85 HydrophobicContact CG-CG 3.81Å; H50-Y85 PolarHBondContact CD2-OH 3.44Å; H50-Y85 PolarHBondContact NE2-OH 3.03Å; H50-Y85 VanDerWaalsContact NE2-OH 3.11Å; Y85-V98 HydrophobicContact CD1-CG1 3.58Å; Y85-V98 HydrophobicContact CG-CG1 4.02Å; Y85-V99 WeakPolarHBondContact CA-O 3.24Å; Y85-A100 HydrophobicContact CD1-CB 3.94Å; Y85-A100 HydrophobicContact CE1-CB 3.86Å; Y85-W121 HydrophobicContact CE1-CH2 4.09Å
86L80Confident61.1Low12 Ų1273.2 Ų73.26%0.06344%0.436CS..EExtended strand (participates in β ladder)trans-92.3119.8171-62.9175.3000108.3F84 V99 V101 F111 V142 V180F84-L86 HydrophobicContact CE2-CD2 4.44Å; L86-V99 HydrophobicContact CB-CB 4.44Å; L86-V99 PolarHBondContact N-O 2.96Å; L86-V101 HydrophobicContact CD1-CG2 3.62Å; L86-V101 HydrophobicContact CD2-CG2 4.49Å; L86-V101 HydrophobicContact CG-CG2 3.66Å; L86-F111 HydrophobicContact CD1-CD1 4.18Å; L86-F111 HydrophobicContact CD1-CE1 4.07Å; L86-V142 HydrophobicContact CD2-CB 4.33Å; L86-V142 HydrophobicContact CD2-CG1 3.73Å; L86-V142 HydrophobicContact CD2-CG2 3.7Å; L86-V180 HydrophobicContact CB-CG2 4.31Å; L86-V180 HydrophobicContact CD1-CG2 3.75Å
87D65.1Low61.8Low79 Ų7972.2 Ų72.242%0.42243%0.426SS..  trans-90.2123.3-178.8-149.3-9.3000110L89D87-L89 HydrophobicContact CB-CD1 4.09Å; D87-L89 HydrophobicContact CB-CG 4.2Å; D87-L89 PolarHBondContact O-N 3.41Å; D87-L89 WeakPolarHBondContact OD2-CD1 3.41Å; D87-L89 WeakPolarHBondContact OD2-CG 3.33Å
88L53.1Low62.4Low39 Ų3970.5 Ų70.520%0.20440%0.4CS..  trans-80.335.5-177-77.3164.1000112.2H90 N91 T96 G97 V180L88-H90 PolarHBondContact O-N 3.35Å; L88-N91 PolarHBondContact O-N 3.15Å; L88-T96 HydrophobicContact CB-CG2 4.34Å; L88-T96 HydrophobicContact CD1-CG2 3.86Å; L88-G97 WeakPolarHBondContact CD1-O 3.37Å; L88-V180 HydrophobicContact CD2-CB 3.73Å; L88-V180 HydrophobicContact CD2-CG1 3.71Å
89L40.8Very low62.9Low118 Ų11867.8 Ų67.862%0.61838%0.384SS*.THydrogen-bonded Turntrans-66.91.3-166.7-87.8170.3000116D87D87-L89 HydrophobicContact CB-CD1 4.09Å; D87-L89 HydrophobicContact CB-CG 4.2Å; D87-L89 PolarHBondContact O-N 3.41Å; D87-L89 WeakPolarHBondContact OD2-CD1 3.41Å; D87-L89 WeakPolarHBondContact OD2-CG 3.33Å
90H38.1Very low63.2Low191 Ų19166.2 Ų66.288%0.88437%0.373SS*.THydrogen-bonded Turntrans-96.40.1178.9-97.1-54.2000116.6L88L88-H90 PolarHBondContact O-N 3.35Å
91N34.4Very low63.3Low127 Ų12765.1 Ų65.168%0.67937%0.367SS*.  trans-127.689174.9-105-25000112.3L88 G93L88-N91 PolarHBondContact O-N 3.15Å; N91-G93 PolarHBondContact O-N 2.96Å
92K34.4Very low63.5Low223 Ų22364.8 Ų64.897%0.9737%0.365SS*.THydrogen-bonded Turntrans-62.916.7173.6-77.6-170.6174-178.10115
93G34.6Very low63.6Low62 Ų6263 Ų6364%0.63936%0.356SS*.THydrogen-bonded Turntrans-109.3-29.1-166.500000116.8N91N91-G93 PolarHBondContact O-N 2.96Å
94K36.1Very low63.7Low178 Ų17863.3 Ų63.377%0.77436%0.355SS*.SBendtrans-151.7132.9-172.8-72.1-176.6178.8173.20109.6T96K94-T96 PolarHBondContact O-N 2.69Å; K94-T96 PolarHBondContact O-OG1 3.36Å; K94-T96 VanDerWaalsContact O-OG1 3.08Å
95G43.8Very low63.8Low93 Ų9365 Ų6596%0.95936%0.364SS*.  trans-47.7105.4-177.500000112.5
96T47.2Very low64.1Low55 Ų5566.6 Ų66.634%0.33737%0.374SS..  trans-109.9110.9-170.519.50000109.3L88 K94L88-T96 HydrophobicContact CB-CG2 4.34Å; L88-T96 HydrophobicContact CD1-CG2 3.86Å; K94-T96 PolarHBondContact O-N 2.69Å; K94-T96 PolarHBondContact O-OG1 3.36Å; K94-T96 VanDerWaalsContact O-OG1 3.08Å
97G59.3Low64.5Low27 Ų2766.1 Ų66.128%0.27837%0.371SS..PPolyproline II helixtrans-69.4140.4-179.200000113.1L88L88-G97 WeakPolarHBondContact CD1-O 3.37Å
98V72.3Confident65.7Low41 Ų4166.9 Ų66.925%0.24837%0.371CS..PPolyproline II helixtrans-60.7136.9179.6-1760000111.1P44 Y85P44-V98 HydrophobicContact CG-CG1 4.38Å; Y85-V98 HydrophobicContact CD1-CG1 3.58Å; Y85-V98 HydrophobicContact CG-CG1 4.02Å
99V83.1Confident67.5Low2 Ų265 Ų651%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-101.4118.6173.2178.90000109.5Y85 L86 F111 W112 L124 V180Y85-V99 WeakPolarHBondContact CA-O 3.24Å; L86-V99 HydrophobicContact CB-CB 4.44Å; L86-V99 PolarHBondContact N-O 2.96Å; V99-F111 HydrophobicContact CG1-CB 4.09Å; V99-F111 HydrophobicContact CG1-CD1 4.35Å; V99-W112 CarbonylContact C-O 3.59Å; V99-W112 VanDerWaalsContact CA-O 3.26Å; V99-W112 WeakPolarHBondContact CA-O 3.45Å; V99-L124 HydrophobicContact CG1-CD1 4.29Å; V99-L124 HydrophobicContact CG2-CD1 4.08Å; V99-V180 HydrophobicContact CG2-CG1 4.06Å
100A86.9Confident69.9Low3 Ų361 Ų613%0.02534%0.339CS..EExtended strand (participates in β ladder)trans-84.4138.417100000110.1Y85 W112 W121Y85-A100 HydrophobicContact CD1-CB 3.94Å; Y85-A100 HydrophobicContact CE1-CB 3.86Å; A100-W112 HydrophobicContact CB-CB 4.36Å; A100-W112 PolarHBondContact N-O 3.48Å; A100-W112 PolarHBondContact O-N 3.03Å; A100-W121 HydrophobicContact CB-CE3 4.2Å; A100-W121 HydrophobicContact CB-CH2 3.71Å; A100-W121 HydrophobicContact CB-CZ3 3.48Å; A100-W121 VanDerWaalsContact CB-CZ3 3.48Å
101V89.4Confident72.4Confident0 Ų051.9 Ų51.90%030%0.297CS..EExtended strand (participates in β ladder)trans-117.1123.9178.6-170.70000108.7V83 F84 L86 V103 A109 E110 F111V83-V101 VanDerWaalsContact CA-O 3.3Å; V83-V101 WeakPolarHBondContact CA-O 3.26Å; F84-V101 HydrophobicContact CD2-CB 3.89Å; F84-V101 HydrophobicContact CD2-CG2 4.1Å; F84-V101 HydrophobicContact CE1-CB 4.4Å; F84-V101 HydrophobicContact CE1-CG1 4.4Å; F84-V101 HydrophobicContact CE2-CB 3.39Å; F84-V101 HydrophobicContact CE2-CG1 3.75Å; F84-V101 HydrophobicContact CE2-CG2 3.63Å; F84-V101 HydrophobicContact CZ-CB 3.69Å; F84-V101 HydrophobicContact CZ-CG1 3.6Å; F84-V101 HydrophobicContact CZ-CG2 4.36Å; F84-V101 PolarHBondContact N-O 3.2Å; F84-V101 PolarHBondContact O-N 3.15Å; L86-V101 HydrophobicContact CD1-CG2 3.62Å; L86-V101 HydrophobicContact CD2-CG2 4.49Å; L86-V101 HydrophobicContact CG-CG2 3.66Å; V101-V103 HydrophobicContact CG1-CG2 4.02Å; V101-A109 HydrophobicContact CG1-CB 4.46Å; V101-E110 CarbonylContact C-O 3.57Å; V101-E110 WeakPolarHBondContact CA-O 3.4Å; V101-F111 HydrophobicContact CB-CD1 4.38Å; V101-F111 HydrophobicContact CB-CE1 4.4Å; V101-F111 HydrophobicContact CG1-CD1 4.05Å; V101-F111 HydrophobicContact CG1-CE1 3.74Å; V101-F111 HydrophobicContact CG1-CZ 4.23Å; V101-F111 HydrophobicContact CG2-CD1 3.63Å; V101-F111 HydrophobicContact CG2-CE1 3.75Å
102V91Very high74.9Confident13 Ų1347.8 Ų47.88%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-106.9118.5176.1-174.70000108I80 V83 Y104 A109 E110I80-V102 HydrophobicContact CD1-CG1 4.18Å; I80-V102 HydrophobicContact CG1-CG1 4.33Å; I80-V102 HydrophobicContact CG2-CG1 3.88Å; V83-V102 HydrophobicContact CG2-CB 4.44Å; V83-V102 HydrophobicContact CG2-CG1 4.24Å; V83-V102 HydrophobicContact CG2-CG2 4.06Å; V102-Y104 HydrophobicContact CB-CE2 4.37Å; V102-Y104 HydrophobicContact CG1-CE1 4.45Å; V102-Y104 HydrophobicContact CG1-CE2 3.89Å; V102-A109 CarbonylContact O-C 3.59Å; V102-A109 WeakPolarHBondContact O-CA 3.35Å; V102-E110 HydrophobicContact CB-CB 4.41Å; V102-E110 PolarHBondContact N-O 2.98Å; V102-E110 PolarHBondContact O-N 3.37Å
103V91.3Very high77.3Confident0 Ų039.2 Ų39.20%024%0.235CC..EExtended strand (participates in β ladder)trans-110.2128.3-179.1-178.50000110.4I80 V81 D82 F84 V101 A109 L129 V137 V140I80-V103 WeakPolarHBondContact CG2-O 3.33Å; V81-V103 PolarHBondContact N-O 3.1Å; D82-V103 PolarHBondContact O-N 3.46Å; D82-V103 VanDerWaalsContact O-N 3.11Å; F84-V103 HydrophobicContact CE1-CG2 3.68Å; F84-V103 HydrophobicContact CZ-CG2 3.88Å; V101-V103 HydrophobicContact CG1-CG2 4.02Å; V103-A109 HydrophobicContact CG2-CB 4.21Å; V103-L129 HydrophobicContact CG1-CD1 3.75Å; V103-L129 HydrophobicContact CG2-CD1 4.25Å; V103-V137 HydrophobicContact CG1-CG1 4.09Å; V103-V140 HydrophobicContact CB-CG1 4.06Å; V103-V140 HydrophobicContact CG1-CG1 4.27Å; V103-V140 HydrophobicContact CG2-CG1 4.15Å; V103-V140 HydrophobicContact CG2-CG2 4.28Å
104Y89.6Confident79.4Confident17 Ų1738.8 Ų38.87%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-99.1154.5-178.4-62.6-90.4000111.7F74 I80 V102 N106 G107 K108 E110F74-Y104 WeakPolarHBondContact CD1-OH 3.37Å; F74-Y104 WeakPolarHBondContact CE1-OH 3.36Å; I80-Y104 HydrophobicContact CD1-CE1 4.46Å; I80-Y104 HydrophobicContact CG1-CD1 4.03Å; I80-Y104 HydrophobicContact CG1-CE1 3.81Å; V102-Y104 HydrophobicContact CB-CE2 4.37Å; V102-Y104 HydrophobicContact CG1-CE1 4.45Å; V102-Y104 HydrophobicContact CG1-CE2 3.89Å; Y104-N106 VanDerWaalsContact CB-OD1 3.25Å; Y104-N106 WeakPolarHBondContact CB-OD1 3.49Å; Y104-N106 PolarHBondContact O-N 2.82Å; Y104-G107 PolarHBondContact O-N 3.26Å; Y104-K108 HydrophobicContact CD2-CB 4.09Å; Y104-K108 WeakPolarHBondContact CD2-O 3.33Å; Y104-K108 PolarHBondContact N-O 3.36Å; Y104-E110 HydrophobicContact CE2-CB 4.35Å; Y104-E110 HydrophobicContact CE2-CG 3.8Å; Y104-E110 PolarHBondContact OH-OE2 3.13Å
105E88.7Confident81.2Confident63 Ų6332.6 Ų32.629%0.29419%0.191SC..THydrogen-bonded Turntrans-59-31.5179.3-81.9-169.3-171.100112.4V78 S79 V81 G107 R136 V137V78-E105 HydrophobicContact CG1-CB 4.24Å; S79-E105 WeakPolarHBondContact CB-OE1 3.12Å; S79-E105 PolarHBondContact O-N 2.99Å; V81-E105 HydrophobicContact CG2-CB 4.29Å; V81-E105 HydrophobicContact CG2-CG 3.69Å; E105-G107 PolarHBondContact O-N 3.48Å; E105-G107 VanDerWaalsContact O-N 3.16Å; E105-R136 HydrophobicContact CB-CG 4.08Å; E105-R136 CarbonylContact O-C 3.36Å; E105-R136 WeakPolarHBondContact O-CA 3.48Å; E105-R136 WeakPolarHBondContact O-CG 2.9Å; E105-V137 PolarHBondContact O-N 2.86Å
106N87.3Confident82.5Confident56 Ų5633.6 Ų33.630%0.29917%0.174SC..THydrogen-bonded Turntrans-75.24.917867.3-2000114.4V78 Y104 K108V78-N106 HydrophobicContact CG1-CB 3.88Å; Y104-N106 VanDerWaalsContact CB-OD1 3.25Å; Y104-N106 WeakPolarHBondContact CB-OD1 3.49Å; Y104-N106 PolarHBondContact O-N 2.82Å; N106-K108 WeakPolarHBondContact OD1-CB 3.45Å; N106-K108 PolarHBondContact OD1-N 2.97Å; N106-K108 VanDerWaalsContact OD1-N 3.1Å
107G88.4Confident83.4Confident1 Ų136.3 Ų36.31%0.0119%0.194CC..SBendtrans86.53.2179.700000115.2Y104 E105 L129Y104-G107 PolarHBondContact O-N 3.26Å; E105-G107 PolarHBondContact O-N 3.48Å; E105-G107 VanDerWaalsContact O-N 3.16Å; G107-L129 WeakPolarHBondContact O-CB 3.18Å; G107-L129 PolarHBondContact O-N 3.02Å
108K90.1Very high83.5Confident95 Ų9541.5 Ų41.541%0.41321%0.209SC..EExtended strand (participates in β ladder)trans-75.1141.8169.8-68.5-173.2176.1-170.80110.8Y104 N106 D128Y104-K108 HydrophobicContact CD2-CB 4.09Å; Y104-K108 WeakPolarHBondContact CD2-O 3.33Å; Y104-K108 PolarHBondContact N-O 3.36Å; N106-K108 WeakPolarHBondContact OD1-CB 3.45Å; N106-K108 PolarHBondContact OD1-N 2.97Å; N106-K108 VanDerWaalsContact OD1-N 3.1Å; K108-D128 WeakPolarHBondContact CG-OD1 3.33Å
109A91.4Very high83.2Confident0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-126131.2170.500000109.9V101 V102 V103 F111 T126 S127 L129V101-A109 HydrophobicContact CG1-CB 4.46Å; V102-A109 CarbonylContact O-C 3.59Å; V102-A109 WeakPolarHBondContact O-CA 3.35Å; V103-A109 HydrophobicContact CG2-CB 4.21Å; A109-F111 HydrophobicContact CB-CE2 4.19Å; A109-F111 HydrophobicContact CB-CZ 4.31Å; A109-T126 CarbonylContact O-C 3.58Å; A109-T126 WeakPolarHBondContact O-CA 3.38Å; A109-S127 PolarHBondContact N-O 3.39Å; A109-S127 PolarHBondContact O-N 3.34Å; A109-L129 HydrophobicContact CB-CD1 3.97Å; A109-L129 HydrophobicContact CB-CD2 3.99Å; A109-L129 HydrophobicContact CB-CG 3.79Å
110E91.3Very high82.9Confident34 Ų3445.9 Ų45.916%0.15924%0.238CC..EExtended strand (participates in β ladder)trans-111.6134.3175.2-69.2-179.3178.400110.3V101 V102 Y104 W112 L123 Q125 T126V101-E110 CarbonylContact C-O 3.57Å; V101-E110 WeakPolarHBondContact CA-O 3.4Å; V102-E110 HydrophobicContact CB-CB 4.41Å; V102-E110 PolarHBondContact N-O 2.98Å; V102-E110 PolarHBondContact O-N 3.37Å; Y104-E110 HydrophobicContact CE2-CB 4.35Å; Y104-E110 HydrophobicContact CE2-CG 3.8Å; Y104-E110 PolarHBondContact OH-OE2 3.13Å; E110-W112 VanDerWaalsContact CB-NE1 3.33Å; E110-W112 VanDerWaalsContact OE2-CZ2 3.32Å; E110-W112 WeakPolarHBondContact OE2-CZ2 3.31Å; E110-W112 PolarHBondContact OE2-NE1 3.24Å; E110-W112 VanDerWaalsContact OE2-NE1 3.09Å; E110-L123 HydrophobicContact CB-CD1 3.73Å; E110-L123 HydrophobicContact CG-CD1 4.03Å; E110-Q125 WeakPolarHBondContact CA-O 3.41Å; E110-T126 HydrophobicContact CG-CG2 3.96Å
111F88.9Confident82.6Confident0 Ų048.2 Ų48.20%025%0.246CC..EExtended strand (participates in β ladder)trans-108.8123.5-179.1-60.5-89.7000109.2L86 V99 V101 A109 L124 Q125 L147 V185 L187L86-F111 HydrophobicContact CD1-CD1 4.18Å; L86-F111 HydrophobicContact CD1-CE1 4.07Å; V99-F111 HydrophobicContact CG1-CB 4.09Å; V99-F111 HydrophobicContact CG1-CD1 4.35Å; V101-F111 HydrophobicContact CB-CD1 4.38Å; V101-F111 HydrophobicContact CB-CE1 4.4Å; V101-F111 HydrophobicContact CG1-CD1 4.05Å; V101-F111 HydrophobicContact CG1-CE1 3.74Å; V101-F111 HydrophobicContact CG1-CZ 4.23Å; V101-F111 HydrophobicContact CG2-CD1 3.63Å; V101-F111 HydrophobicContact CG2-CE1 3.75Å; A109-F111 HydrophobicContact CB-CE2 4.19Å; A109-F111 HydrophobicContact CB-CZ 4.31Å; F111-L124 HydrophobicContact CB-CB 4.41Å; F111-L124 WeakPolarHBondContact O-CB 3.39Å; F111-L124 PolarHBondContact O-N 3.41Å; F111-Q125 HydrophobicContact CD2-CB 4.31Å; F111-Q125 PolarHBondContact N-O 3.42Å; F111-Q125 PolarHBondContact O-N 3.4Å; F111-L147 HydrophobicContact CE1-CD1 4.49Å; F111-L147 HydrophobicContact CZ-CD1 4.3Å; F111-V185 HydrophobicContact CB-CG2 3.96Å; F111-V185 HydrophobicContact CD1-CB 4.05Å; F111-V185 HydrophobicContact CD1-CG1 3.93Å; F111-V185 HydrophobicContact CD1-CG2 3.67Å; F111-V185 HydrophobicContact CD2-CB 4.33Å; F111-V185 HydrophobicContact CD2-CG2 4.46Å; F111-V185 HydrophobicContact CE1-CB 4.27Å; F111-V185 HydrophobicContact CE1-CG1 3.69Å; F111-V185 HydrophobicContact CE1-CG2 4.32Å; F111-V185 HydrophobicContact CE2-CG1 4.45Å; F111-V185 HydrophobicContact CG-CB 4.09Å; F111-V185 HydrophobicContact CG-CG1 4.42Å; F111-V185 HydrophobicContact CG-CG2 3.77Å; F111-V185 HydrophobicContact CZ-CG1 3.98Å; F111-L187 HydrophobicContact CE2-CD1 4.2Å; F111-L187 HydrophobicContact CZ-CD1 4.13Å; F111-L187 HydrophobicContact CZ-CD2 4.1Å; F111-L187 HydrophobicContact CZ-CG 4.44Å
112W87Confident82.3Confident40 Ų4051.4 Ų51.415%0.15226%0.261CS..EExtended strand (participates in β ladder)trans-123.4134.8-172-67.183.3000110.4F74 V99 A100 E110 W121 H122 L123F74-W112 HydrophobicContact CE1-CZ2 4.26Å; V99-W112 CarbonylContact C-O 3.59Å; V99-W112 VanDerWaalsContact CA-O 3.26Å; V99-W112 WeakPolarHBondContact CA-O 3.45Å; A100-W112 HydrophobicContact CB-CB 4.36Å; A100-W112 PolarHBondContact N-O 3.48Å; A100-W112 PolarHBondContact O-N 3.03Å; E110-W112 VanDerWaalsContact CB-NE1 3.33Å; E110-W112 VanDerWaalsContact OE2-CZ2 3.32Å; E110-W112 WeakPolarHBondContact OE2-CZ2 3.31Å; E110-W112 PolarHBondContact OE2-NE1 3.24Å; E110-W112 VanDerWaalsContact OE2-NE1 3.09Å; W112-W121 HydrophobicContact CB-CE3 3.87Å; W112-W121 HydrophobicContact CB-CZ3 4.45Å; W112-W121 HydrophobicContact CE3-CB 4.05Å; W112-H122 CarbonylContact C-O 3.52Å; W112-H122 VanDerWaalsContact CA-O 3.31Å; W112-H122 WeakPolarHBondContact CA-O 3.3Å; W112-L123 HydrophobicContact CD2-CB 4.19Å; W112-L123 HydrophobicContact CD2-CD1 4.19Å; W112-L123 HydrophobicContact CE3-CB 4.01Å; W112-L123 HydrophobicContact CH2-CB 3.82Å; W112-L123 HydrophobicContact CZ2-CB 4Å; W112-L123 HydrophobicContact CZ2-CD1 3.9Å; W112-L123 HydrophobicContact CZ2-CG 4.41Å; W112-L123 HydrophobicContact CZ3-CB 3.83Å
113K84.8Confident82.1Confident44 Ų4454.5 Ų54.519%0.19128%0.277CS..EExtended strand (participates in β ladder)trans-116.6132.4175.5-174.6172-176.7173.30110L115 H122 L124K113-L115 HydrophobicContact CD-CD2 4.08Å; K113-L115 HydrophobicContact CG-CD2 4.13Å; K113-H122 PolarHBondContact N-O 3.17Å; K113-H122 PolarHBondContact O-N 3.26Å; K113-L124 HydrophobicContact CB-CD1 3.82Å; K113-L124 HydrophobicContact CB-CD2 3.88Å; K113-L124 HydrophobicContact CB-CG 3.82Å; K113-L124 HydrophobicContact CD-CD1 4.43Å; K113-L124 HydrophobicContact CD-CD2 4.32Å
114F78.9Confident81.8Confident52 Ų5257.2 Ų57.223%0.22829%0.291CS..EExtended strand (participates in β ladder)trans-79.8128.3170.5-167.3-103.2000109.5H48 D116 G120 W121H48-F114 AromaticContact CE1-CD2 3.91Å; H48-F114 AromaticContact CE1-CE2 3.53Å; H48-F114 AromaticContact CE1-CZ 3.66Å; H48-F114 AromaticContact NE2-CD1 3.97Å; H48-F114 AromaticContact NE2-CD2 3.88Å; H48-F114 AromaticContact NE2-CE1 3.98Å; H48-F114 AromaticContact NE2-CE2 3.9Å; H48-F114 AromaticContact NE2-CG 3.92Å; H48-F114 AromaticContact NE2-CZ 3.95Å; F114-D116 VanDerWaalsContact CE1-OD1 3.28Å; F114-D116 WeakPolarHBondContact CE1-OD1 3.44Å; F114-G120 WeakPolarHBondContact CD2-O 3.34Å; F114-W121 HydrophobicContact CB-CD2 4.1Å; F114-W121 HydrophobicContact CB-CE3 3.95Å; F114-W121 HydrophobicContact CB-CH2 4.06Å; F114-W121 HydrophobicContact CB-CZ2 4.2Å; F114-W121 HydrophobicContact CB-CZ3 3.93Å; F114-W121 AromaticContact CD2-CD1 3.92Å; F114-W121 HydrophobicContact CD2-CD2 4.01Å; F114-W121 AromaticContact CD2-CE2 3.91Å; F114-W121 HydrophobicContact CD2-CG 4.03Å; F114-W121 AromaticContact CD2-NE1 3.83Å
115L75.6Confident81.7Confident49 Ų4958.9 Ų58.926%0.25730%0.299SS..EExtended strand (participates in β ladder)trans-116.8107.3177.2-64178.8000109.5K113 C117 K118 T119 G120 H122K113-L115 HydrophobicContact CD-CD2 4.08Å; K113-L115 HydrophobicContact CG-CD2 4.13Å; L115-C117 PolarHBondContact O-N 3.21Å; L115-K118 HydrophobicContact CB-CB 4.32Å; L115-K118 HydrophobicContact CD1-CD 4.2Å; L115-K118 CarbonylContact O-C 3.56Å; L115-K118 PolarHBondContact O-N 3.49Å; L115-T119 PolarHBondContact O-N 3.35Å; L115-G120 PolarHBondContact N-O 2.86Å; L115-H122 HydrophobicContact CD1-CB 4.46Å
116D69.8Low81.8Confident113 Ų11359.1 Ų59.160%0.60431%0.305SS*.G310 helixtrans-55-39.4179.1-69.3-39.9000111.9F114 K118 T119F114-D116 VanDerWaalsContact CE1-OD1 3.28Å; F114-D116 WeakPolarHBondContact CE1-OD1 3.44Å; D116-K118 PolarHBondContact O-N 3.4Å; D116-T119 PolarHBondContact O-N 2.97Å
117C66.5Low82Confident113 Ų11357.4 Ų57.476%0.76430%0.298SS*.G310 helixtrans-66.9-19-179.460.60000114.4L115L115-C117 PolarHBondContact O-N 3.21Å
118K61.4Low82.1Confident135 Ų13561.8 Ų61.859%0.58732%0.321SS*.G310 helixtrans-115.61.7178.5-67.1-176.7-179.3178.50112.8L115 D116 G120 H122L115-K118 HydrophobicContact CB-CB 4.32Å; L115-K118 HydrophobicContact CD1-CD 4.2Å; L115-K118 CarbonylContact O-C 3.56Å; L115-K118 PolarHBondContact O-N 3.49Å; D116-K118 PolarHBondContact O-N 3.4Å; K118-G120 PolarHBondContact O-N 3.14Å; K118-H122 VanDerWaalsContact CB-NE2 3.31Å; K118-H122 WeakPolarHBondContact CB-NE2 3.2Å
119T66.7Low82Confident125 Ų12557.2 Ų57.277%0.76730%0.301SS*.THydrogen-bonded Turntrans4657.9-179.156.10000113L115 D116L115-T119 PolarHBondContact O-N 3.35Å; D116-T119 PolarHBondContact O-N 2.97Å
120G75.7Confident81.8Confident10 Ų1057.7 Ų57.710%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-178.3165.4179.800000115.6F114 L115 K118 H122F114-G120 WeakPolarHBondContact CD2-O 3.34Å; L115-G120 PolarHBondContact N-O 2.86Å; K118-G120 PolarHBondContact O-N 3.14Å; G120-H122 PolarHBondContact O-CD2 2.87Å
121W81.3Confident81.3Confident53 Ų5361.6 Ų61.620%0.20133%0.326CS..EExtended strand (participates in β ladder)trans-81.5129.1169.6-72.198.8000110.1H48 H50 Y85 A100 W112 F114H48-W121 HydrophobicContact CB-CZ2 4.5Å; H48-W121 AromaticContact CD2-CZ2 3.84Å; H50-W121 AromaticContact CE1-CE2 3.87Å; H50-W121 AromaticContact CE1-CZ2 3.95Å; H50-W121 AromaticContact CE1-NE1 3.77Å; H50-W121 AromaticContact NE2-CZ2 3.8Å; Y85-W121 HydrophobicContact CE1-CH2 4.09Å; A100-W121 HydrophobicContact CB-CE3 4.2Å; A100-W121 HydrophobicContact CB-CH2 3.71Å; A100-W121 HydrophobicContact CB-CZ3 3.48Å; A100-W121 VanDerWaalsContact CB-CZ3 3.48Å; W112-W121 HydrophobicContact CB-CE3 3.87Å; W112-W121 HydrophobicContact CB-CZ3 4.45Å; W112-W121 HydrophobicContact CE3-CB 4.05Å; F114-W121 HydrophobicContact CB-CD2 4.1Å; F114-W121 HydrophobicContact CB-CE3 3.95Å; F114-W121 HydrophobicContact CB-CH2 4.06Å; F114-W121 HydrophobicContact CB-CZ2 4.2Å; F114-W121 HydrophobicContact CB-CZ3 3.93Å; F114-W121 AromaticContact CD2-CD1 3.92Å; F114-W121 HydrophobicContact CD2-CD2 4.01Å; F114-W121 AromaticContact CD2-CE2 3.91Å; F114-W121 HydrophobicContact CD2-CG 4.03Å; F114-W121 AromaticContact CD2-NE1 3.83Å
122H83.2Confident80.9Confident66 Ų6663.8 Ų63.831%0.30634%0.342SS..EExtended strand (participates in β ladder)trans-119.5131.6178.2-65.7-80.9000110.7W112 K113 L115 K118 G120 L124W112-H122 CarbonylContact C-O 3.52Å; W112-H122 VanDerWaalsContact CA-O 3.31Å; W112-H122 WeakPolarHBondContact CA-O 3.3Å; K113-H122 PolarHBondContact N-O 3.17Å; K113-H122 PolarHBondContact O-N 3.26Å; L115-H122 HydrophobicContact CD1-CB 4.46Å; K118-H122 VanDerWaalsContact CB-NE2 3.31Å; K118-H122 WeakPolarHBondContact CB-NE2 3.2Å; G120-H122 PolarHBondContact O-CD2 2.87Å; H122-L124 PolarHBondContact O-N 3.08Å
123L86.6Confident80.3Confident79 Ų7967.7 Ų67.741%0.41437%0.372SS..EExtended strand (participates in β ladder)trans-67.3119.7173.9-178.668.4000108.8E110 W112 Q125E110-L123 HydrophobicContact CB-CD1 3.73Å; E110-L123 HydrophobicContact CG-CD1 4.03Å; W112-L123 HydrophobicContact CD2-CB 4.19Å; W112-L123 HydrophobicContact CD2-CD1 4.19Å; W112-L123 HydrophobicContact CE3-CB 4.01Å; W112-L123 HydrophobicContact CH2-CB 3.82Å; W112-L123 HydrophobicContact CZ2-CB 4Å; W112-L123 HydrophobicContact CZ2-CD1 3.9Å; W112-L123 HydrophobicContact CZ2-CG 4.41Å; W112-L123 HydrophobicContact CZ3-CB 3.83Å; L123-Q125 WeakPolarHBondContact CD1-O 3.39Å
124L85.1Confident80.1Confident56 Ų5673.1 Ų73.129%0.29339%0.391SS..EExtended strand (participates in β ladder)trans-81.9-49.8171.3-64.8-179000110.4V99 F111 K113 H122V99-L124 HydrophobicContact CG1-CD1 4.29Å; V99-L124 HydrophobicContact CG2-CD1 4.08Å; F111-L124 HydrophobicContact CB-CB 4.41Å; F111-L124 WeakPolarHBondContact O-CB 3.39Å; F111-L124 PolarHBondContact O-N 3.41Å; K113-L124 HydrophobicContact CB-CD1 3.82Å; K113-L124 HydrophobicContact CB-CD2 3.88Å; K113-L124 HydrophobicContact CB-CG 3.82Å; K113-L124 HydrophobicContact CD-CD1 4.43Å; K113-L124 HydrophobicContact CD-CD2 4.32Å; H122-L124 PolarHBondContact O-N 3.08Å
125Q87.8Confident80.5Confident53 Ų5370.8 Ų70.825%0.24838%0.382CS..EExtended strand (participates in β ladder)trans-160.2147.6-168.5-177.7174.7-23.700110.9E110 F111 L123 S127 V185E110-Q125 WeakPolarHBondContact CA-O 3.41Å; F111-Q125 HydrophobicContact CD2-CB 4.31Å; F111-Q125 PolarHBondContact N-O 3.42Å; F111-Q125 PolarHBondContact O-N 3.4Å; L123-Q125 WeakPolarHBondContact CD1-O 3.39Å; Q125-S127 PolarHBondContact NE2-OG 3.32Å; Q125-V185 PolarHBondContact NE2-O 2.89Å; Q125-V185 PolarHBondContact OE1-O 3.13Å
126T90.4Very high81.1Confident67 Ų6773.5 Ų73.541%0.41139%0.388SS..EExtended strand (participates in β ladder)trans-114.5138.6165.2-52.70000108.2A109 E110A109-T126 CarbonylContact O-C 3.58Å; A109-T126 WeakPolarHBondContact O-CA 3.38Å; E110-T126 HydrophobicContact CG-CG2 3.96Å
127S90.5Very high82.2Confident21 Ų2168.1 Ų68.115%0.14736%0.36CS..EExtended strand (participates in β ladder)trans-146.5149.7-179.8-62.40000111.9A109 Q125A109-S127 PolarHBondContact N-O 3.39Å; A109-S127 PolarHBondContact O-N 3.34Å; Q125-S127 PolarHBondContact NE2-OG 3.32Å
128D90.5Very high83.3Confident92 Ų9264.3 Ų64.349%0.49233%0.333SS..EExtended strand (participates in β ladder)trans-88.4120175.7-62-53.9000109.9K108 R176K108-D128 WeakPolarHBondContact CG-OD1 3.33Å; D128-R176 VanDerWaalsContact O-CZ 3.25Å; D128-R176 PolarHBondContact O-NH1 2.89Å; D128-R176 PolarHBondContact O-NH2 3.03Å
129L89.4Confident84.7Confident0 Ų058.6 Ų58.60%031%0.31CS..SBendtrans-74.9-45.7172.7-61.3-179.8000110.6V103 G107 A109 L147 W149 R176 L187 L190V103-L129 HydrophobicContact CG1-CD1 3.75Å; V103-L129 HydrophobicContact CG2-CD1 4.25Å; G107-L129 WeakPolarHBondContact O-CB 3.18Å; G107-L129 PolarHBondContact O-N 3.02Å; A109-L129 HydrophobicContact CB-CD1 3.97Å; A109-L129 HydrophobicContact CB-CD2 3.99Å; A109-L129 HydrophobicContact CB-CG 3.79Å; L129-L147 HydrophobicContact CD2-CD1 4.35Å; L129-W149 HydrophobicContact CB-CH2 4.25Å; L129-W149 HydrophobicContact CB-CZ2 4.09Å; L129-W149 VanDerWaalsContact O-CZ2 3.27Å; L129-W149 WeakPolarHBondContact O-CZ2 3.41Å; L129-R176 PolarHBondContact O-NE 3.4Å; L129-R176 PolarHBondContact O-NH2 3.49Å; L129-R176 VanDerWaalsContact O-NH2 3.08Å; L129-L187 HydrophobicContact CD2-CD1 4.26Å; L129-L190 WeakPolarHBondContact O-CD1 3.31Å
130C86.9Confident86Confident10 Ų1053 Ų537%0.06828%0.276CS..  trans-83.8142-177.6-61.90000111.5A135 V137C130-A135 HydrophobicContact CB-CB 3.99Å; C130-V137 VanDerWaalsContact SG-CG2 3.53Å
131N80.8Confident86.8Confident116 Ų11653 Ų5362%0.6227%0.274SS*.SBendtrans-78.7-23.4172.7-72.9-1.6000112.8R176N131-R176 PolarHBondContact OD1-NH2 3.36Å
132S80.4Confident87.1Confident46 Ų4651.9 Ų51.932%0.32227%0.273SS..SBendtrans-104.4129.2179.1-177.40000110R134 A135S132-R134 PolarHBondContact O-N 3.25Å; S132-R134 VanDerWaalsContact O-N 3.16Å; S132-R134 PolarHBondContact OG-N 2.85Å; S132-A135 WeakPolarHBondContact O-CB 3.24Å; S132-A135 PolarHBondContact O-N 3.37Å
133P74.3Confident87.3Confident122 Ų12248.9 Ų48.979%0.79226%0.259SS*.THydrogen-bonded Turntrans-68.2-12.217529.5-35.9000112.8
134R81.1Confident87.1Confident158 Ų15848.9 Ų48.960%0.59627%0.266SS*.THydrogen-bonded Turntrans-93.5-6.5175.4-66.4179.668.8179.52.4112.8S132 P154 E157S132-R134 PolarHBondContact O-N 3.25Å; S132-R134 VanDerWaalsContact O-N 3.16Å; S132-R134 PolarHBondContact OG-N 2.85Å; R134-P154 HydrophobicContact CB-CB 4.22Å; R134-P154 HydrophobicContact CB-CG 3.81Å; R134-E157 IonicContact NH1-OE1 3.5Å; R134-E157 PolarHBondContact NH1-OE1 3.11Å
135A85.8Confident87.1Confident3 Ų349.3 Ų49.33%0.02527%0.273CS..  trans-78140.5176.700000110C130 S132 E152C130-A135 HydrophobicContact CB-CB 3.99Å; S132-A135 WeakPolarHBondContact O-CB 3.24Å; S132-A135 PolarHBondContact O-N 3.37Å; A135-E152 WeakPolarHBondContact CA-O 3.27Å
136R89.9Confident87.2Confident105 Ų10547.6 Ų47.640%0.39627%0.266SS..EExtended strand (participates in β ladder)trans-115.4122.1-179.2-177.7171.465162.9-2111.2E105 E151 E152E105-R136 HydrophobicContact CB-CG 4.08Å; E105-R136 CarbonylContact O-C 3.36Å; E105-R136 WeakPolarHBondContact O-CA 3.48Å; E105-R136 WeakPolarHBondContact O-CG 2.9Å; R136-E151 CarbonylContact O-C 3.48Å; R136-E151 WeakPolarHBondContact O-CA 3.38Å; R136-E152 HydrophobicContact CB-CB 4.24Å; R136-E152 IonicContact CZ-OE2 3.64Å; R136-E152 PolarHBondContact N-O 3.25Å; R136-E152 IonicContact NE-OE2 3.34Å; R136-E152 PolarHBondContact NE-OE2 3.08Å; R136-E152 IonicContact NH2-OE1 3.75Å; R136-E152 IonicContact NH2-OE2 2.73Å; R136-E152 PolarHBondContact NH2-OE2 3.19Å; R136-E152 PolarHBondContact O-N 3.11Å
137V91.3Very high87.3Confident0 Ų044.5 Ų44.50%025%0.247CC..EExtended strand (participates in β ladder)trans-75131173.6-178.40000109V81 V103 E105 C130 W149V81-V137 HydrophobicContact CG1-CG1 4.31Å; V81-V137 HydrophobicContact CG2-CB 4.18Å; V81-V137 HydrophobicContact CG2-CG1 4.17Å; V81-V137 VanDerWaalsContact CG2-O 3.26Å; V81-V137 WeakPolarHBondContact CG2-O 3.46Å; V103-V137 HydrophobicContact CG1-CG1 4.09Å; E105-V137 PolarHBondContact O-N 2.86Å; C130-V137 VanDerWaalsContact SG-CG2 3.53Å; V137-W149 HydrophobicContact CG1-CB 4.12Å; V137-W149 HydrophobicContact CG1-CG 4.43Å
138V90.3Very high87.4Confident34 Ų3443.5 Ų43.521%0.20624%0.24CC..EExtended strand (participates in β ladder)trans-117.6-21.8-177.9-65.10000114C150 E152 Y171 K199V138-C150 HydrophobicContact CG2-CB 3.81Å; V138-C150 VanDerWaalsContact CG2-O 3.29Å; V138-C150 WeakPolarHBondContact CG2-O 3.06Å; V138-C150 PolarHBondContact N-O 2.96Å; V138-E152 HydrophobicContact CG1-CB 4.48Å; V138-Y171 HydrophobicContact CG1-CE1 4.07Å; V138-Y171 HydrophobicContact CG2-CD1 4.01Å; V138-Y171 HydrophobicContact CG2-CE1 4.09Å; V138-K199 HydrophobicContact CG2-CG 4.13Å
139S91.8Very high87.6Confident15 Ų1539.1 Ų39.111%0.10522%0.216CC..EExtended strand (participates in β ladder)trans-156.6144.8174.8-173.30000108.9W149 C150 F200 T201 V202S139-W149 CarbonylContact O-C 3.58Å; S139-W149 WeakPolarHBondContact O-CA 3.44Å; S139-W149 VanDerWaalsContact O-CB 3.28Å; S139-W149 WeakPolarHBondContact O-CB 3.3Å; S139-C150 PolarHBondContact O-N 2.65Å; S139-F200 WeakPolarHBondContact CB-O 3.27Å; S139-T201 WeakPolarHBondContact OG-CA 3.37Å; S139-V202 WeakPolarHBondContact OG-CG2 3.02Å; S139-V202 PolarHBondContact OG-N 3.19Å
140V93.3Very high87.8Confident8 Ų839.1 Ų39.15%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-143.3145.2179.859.70000110.6V81 D82 F84 V103 V148 W149 V202V81-V140 HydrophobicContact CG1-CG1 4.2Å; D82-V140 HydrophobicContact CB-CG1 3.9Å; F84-V140 HydrophobicContact CD1-CG1 4.22Å; F84-V140 HydrophobicContact CE1-CB 4.31Å; F84-V140 HydrophobicContact CE1-CG1 3.66Å; F84-V140 HydrophobicContact CE1-CG2 3.68Å; F84-V140 HydrophobicContact CZ-CG2 4Å; V103-V140 HydrophobicContact CB-CG1 4.06Å; V103-V140 HydrophobicContact CG1-CG1 4.27Å; V103-V140 HydrophobicContact CG2-CG1 4.15Å; V103-V140 HydrophobicContact CG2-CG2 4.28Å; V140-V148 CarbonylContact C-O 3.52Å; V140-V148 WeakPolarHBondContact CA-O 3.36Å; V140-W149 HydrophobicContact CB-CB 4.09Å; V140-W149 HydrophobicContact CG2-CB 4.11Å; V140-V202 VanDerWaalsContact C-CG2 3.5Å; V140-V202 VanDerWaalsContact CA-CG2 3.49Å
141C91.7Very high88.1Confident10 Ų1038.8 Ų38.87%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-145.9166.717170.60000111V148 V202C141-V148 PolarHBondContact N-O 3.25Å; C141-V148 PolarHBondContact O-N 3.15Å; C141-V148 VanDerWaalsContact O-O 3.11Å; C141-V202 HydrophobicContact CB-CG2 4.14Å
142V88.8Confident88.5Confident28 Ų2834.1 Ų34.117%0.1719%0.188CC..EExtended strand (participates in β ladder)trans-115.9125.3173.81760000109.3F84 L86 S144 L146 L147 S204F84-V142 HydrophobicContact CD2-CB 4.41Å; F84-V142 HydrophobicContact CD2-CG2 3.27Å; F84-V142 HydrophobicContact CE2-CB 4.49Å; F84-V142 HydrophobicContact CE2-CG2 3.07Å; F84-V142 HydrophobicContact CG-CG2 4.19Å; F84-V142 HydrophobicContact CZ-CG2 3.86Å; L86-V142 HydrophobicContact CD2-CB 4.33Å; L86-V142 HydrophobicContact CD2-CG1 3.73Å; L86-V142 HydrophobicContact CD2-CG2 3.7Å; V142-S144 WeakPolarHBondContact CG1-O 3.25Å; V142-L146 WeakPolarHBondContact CA-O 3.36Å; V142-L147 HydrophobicContact CG2-CD2 3.67Å; V142-S204 WeakPolarHBondContact O-CB 3.23Å; V142-S204 PolarHBondContact O-OG 3.41Å
143C87.3Confident88.7Confident3 Ų336.2 Ų36.22%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-119.8104.4174.7-175.50000108.7S145 L146 V209C143-S145 PolarHBondContact O-N 3.49Å; C143-L146 PolarHBondContact N-O 3.25Å; C143-L146 VanDerWaalsContact O-CB 3.28Å; C143-L146 WeakPolarHBondContact O-CB 3.47Å; C143-L146 PolarHBondContact O-N 2.98Å; C143-V209 HydrophobicContact CB-CG2 3.68Å
144S82.4Confident88.7Confident79 Ų7932.7 Ų32.755%0.55217%0.166SC*.THydrogen-bonded Turntrans55.1-119.2-173.9-53.40000110.7V142 L146 D207V142-S144 WeakPolarHBondContact CG1-O 3.25Å; S144-L146 VanDerWaalsContact C-N 3.34Å; S144-D207 PolarHBondContact OG-OD1 3.43Å
145S84Confident88Confident65 Ų6528.6 Ų28.646%0.45517%0.166SC..THydrogen-bonded Turntrans-92.618.3174.755.40000113.6C143 D177 C178C143-S145 PolarHBondContact O-N 3.49Å; S145-D177 CarbonylContact O-C 3.59Å; S145-C178 WeakPolarHBondContact CB-O 3.36Å; S145-C178 PolarHBondContact O-N 3.19Å
146L89.6Confident86.5Confident18 Ų1832 Ų329%0.09419%0.19CC..EExtended strand (participates in β ladder)trans-110.5123.9-178.6-58.1176.8000111.1V142 C143 S144 V148 D177 W230 P232V142-L146 WeakPolarHBondContact CA-O 3.36Å; C143-L146 PolarHBondContact N-O 3.25Å; C143-L146 VanDerWaalsContact O-CB 3.28Å; C143-L146 WeakPolarHBondContact O-CB 3.47Å; C143-L146 PolarHBondContact O-N 2.98Å; S144-L146 VanDerWaalsContact C-N 3.34Å; L146-V148 HydrophobicContact CB-CG2 4.05Å; L146-D177 HydrophobicContact CD2-CB 4.49Å; L146-D177 WeakPolarHBondContact CD2-OD1 3.43Å; L146-W230 HydrophobicContact CD1-CH2 4.15Å; L146-P232 HydrophobicContact CD1-CB 3.63Å; L146-P232 HydrophobicContact CD1-CG 3.96Å
147L92.3Very high84.4Confident1 Ų135.3 Ų35.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-83.9120.6161.3-80.2164.4000108.3F84 F111 L129 V142 R175 R176 C178 L187F84-L147 HydrophobicContact CE2-CD2 3.64Å; F84-L147 HydrophobicContact CZ-CD2 3.46Å; F84-L147 VanDerWaalsContact CZ-CD2 3.46Å; F111-L147 HydrophobicContact CE1-CD1 4.49Å; F111-L147 HydrophobicContact CZ-CD1 4.3Å; L129-L147 HydrophobicContact CD2-CD1 4.35Å; V142-L147 HydrophobicContact CG2-CD2 3.67Å; L147-R175 CarbonylContact O-C 3.55Å; L147-R175 WeakPolarHBondContact O-CA 3.32Å; L147-R176 PolarHBondContact N-O 3.49Å; L147-R176 PolarHBondContact O-N 2.85Å; L147-C178 HydrophobicContact CD1-CB 3.9Å; L147-C178 HydrophobicContact CG-CB 4.06Å; L147-L187 HydrophobicContact CD1-CD2 3.52Å
148V94.1Very high81.9Confident0 Ų040.4 Ų40.40%025%0.245CC..EExtended strand (participates in β ladder)trans-124.1131.9-178.9-173.60000108.8V140 C141 L146 V173 C174 R175 I193 V209 W230V140-V148 CarbonylContact C-O 3.52Å; V140-V148 WeakPolarHBondContact CA-O 3.36Å; C141-V148 PolarHBondContact N-O 3.25Å; C141-V148 PolarHBondContact O-N 3.15Å; C141-V148 VanDerWaalsContact O-O 3.11Å; L146-V148 HydrophobicContact CB-CG2 4.05Å; V148-V173 HydrophobicContact CG1-CG1 3.92Å; V148-C174 WeakPolarHBondContact CA-O 3.47Å; V148-R175 HydrophobicContact CG2-CB 4.13Å; V148-I193 HydrophobicContact CG1-CD1 4.37Å; V148-V209 HydrophobicContact CG1-CG1 4.2Å; V148-V209 HydrophobicContact CG2-CG2 4.32Å; V148-W230 HydrophobicContact CG2-CZ3 4.04Å
149W94.5Very high79.5Confident0 Ų041.6 Ų41.60%026%0.255CS..EExtended strand (participates in β ladder)trans-142.9155.6-179.570.396.6000112.4L129 V137 S139 V140 E151 V173 C174 R176 L190L129-W149 HydrophobicContact CB-CH2 4.25Å; L129-W149 HydrophobicContact CB-CZ2 4.09Å; L129-W149 VanDerWaalsContact O-CZ2 3.27Å; L129-W149 WeakPolarHBondContact O-CZ2 3.41Å; V137-W149 HydrophobicContact CG1-CB 4.12Å; V137-W149 HydrophobicContact CG1-CG 4.43Å; S139-W149 CarbonylContact O-C 3.58Å; S139-W149 WeakPolarHBondContact O-CA 3.44Å; S139-W149 VanDerWaalsContact O-CB 3.28Å; S139-W149 WeakPolarHBondContact O-CB 3.3Å; V140-W149 HydrophobicContact CB-CB 4.09Å; V140-W149 HydrophobicContact CG2-CB 4.11Å; W149-E151 PolarHBondContact NE1-OE2 2.97Å; W149-V173 CarbonylContact O-C 3.54Å; W149-V173 WeakPolarHBondContact O-CA 3.36Å; W149-C174 HydrophobicContact CD2-CB 3.98Å; W149-C174 VanDerWaalsContact CE2-CB 3.45Å; W149-C174 HydrophobicContact CE3-CB 4.43Å; W149-C174 HydrophobicContact CH2-CB 4.01Å; W149-C174 HydrophobicContact CZ2-CB 3.47Å; W149-C174 VanDerWaalsContact CZ2-CB 3.47Å; W149-C174 HydrophobicContact CZ3-CB 4.46Å; W149-C174 PolarHBondContact N-O 2.89Å; W149-C174 PolarHBondContact O-N 3.48Å; W149-R176 HydrophobicContact CH2-CB 4.47Å; W149-R176 HydrophobicContact CH2-CG 3.84Å; W149-R176 HydrophobicContact CZ3-CB 4.21Å; W149-R176 HydrophobicContact CZ3-CG 4.09Å; W149-L190 HydrophobicContact CH2-CD1 4.14Å; W149-L190 HydrophobicContact CH2-CG 4.44Å; W149-L190 HydrophobicContact CZ2-CD1 3.73Å; W149-L190 HydrophobicContact CZ2-CG 4.4Å
150C93.6Very high77.1Confident0 Ų045.6 Ų45.60%028%0.281CS..EExtended strand (participates in β ladder)trans-96.4123.2166.5-172.90000108.3V138 S139 C172 F200 V202V138-C150 HydrophobicContact CG2-CB 3.81Å; V138-C150 VanDerWaalsContact CG2-O 3.29Å; V138-C150 WeakPolarHBondContact CG2-O 3.06Å; V138-C150 PolarHBondContact N-O 2.96Å; S139-C150 PolarHBondContact O-N 2.65Å; C150-C172 CarbonylContact C-O 3.5Å; C150-C172 WeakPolarHBondContact CA-O 3.39Å; C150-F200 WeakPolarHBondContact CB-O 3.28Å; C150-V202 HydrophobicContact CB-CG1 4.2Å
151E92.3Very high74.8Confident3 Ų350.5 Ų50.51%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-114.1140.2175.863175-148.100111.3R136 W149 R153 Y171 C172R136-E151 CarbonylContact O-C 3.48Å; R136-E151 WeakPolarHBondContact O-CA 3.38Å; W149-E151 PolarHBondContact NE1-OE2 2.97Å; E151-R153 IonicContact OE1-CZ 2.85Å; E151-R153 IonicContact OE1-NE 3.06Å; E151-R153 PolarHBondContact OE1-NE 2.87Å; E151-R153 IonicContact OE1-NH2 3.27Å; E151-R153 PolarHBondContact OE1-NH2 3.3Å; E151-Y171 CarbonylContact O-C 3.58Å; E151-Y171 WeakPolarHBondContact O-CA 3.46Å; E151-C172 HydrophobicContact CG-CB 3.93Å; E151-C172 PolarHBondContact N-O 3.49Å; E151-C172 PolarHBondContact O-N 2.92Å
152E90.3Very high72.3Confident18 Ų1857 Ų578%0.08436%0.356CS..EExtended strand (participates in β ladder)trans-87.7127.7168.1-172.8-179-175.800109.5A135 R136 V138 R170 Y171A135-E152 WeakPolarHBondContact CA-O 3.27Å; R136-E152 HydrophobicContact CB-CB 4.24Å; R136-E152 IonicContact CZ-OE2 3.64Å; R136-E152 PolarHBondContact N-O 3.25Å; R136-E152 IonicContact NE-OE2 3.34Å; R136-E152 PolarHBondContact NE-OE2 3.08Å; R136-E152 IonicContact NH2-OE1 3.75Å; R136-E152 IonicContact NH2-OE2 2.73Å; R136-E152 PolarHBondContact NH2-OE2 3.19Å; R136-E152 PolarHBondContact O-N 3.11Å; V138-E152 HydrophobicContact CG1-CB 4.48Å; E152-R170 HydrophobicContact CG-CG 4.13Å; E152-R170 IonicContact OE1-CZ 2.61Å; E152-R170 IonicContact OE1-NE 3.8Å; E152-R170 PolarHBondContact OE1-NE 3.04Å; E152-R170 IonicContact OE1-NH1 2.91Å; E152-R170 PolarHBondContact OE1-NH1 3.1Å; E152-R170 IonicContact OE1-NH2 3.23Å; E152-R170 PolarHBondContact OE1-NH2 3.5Å; E152-Y171 HydrophobicContact CB-CD1 3.77Å; E152-Y171 HydrophobicContact CB-CE1 3.57Å; E152-Y171 HydrophobicContact CG-CD1 4.21Å; E152-Y171 HydrophobicContact CG-CE1 3.77Å
153R84.1Confident70.2Confident91 Ų9158.4 Ų58.434%0.34337%0.366SS..PPolyproline II helixtrans-93.6142.2174.5-63.5-134.3171.6175.9-2.8111.3E151 R170E151-R153 IonicContact OE1-CZ 2.85Å; E151-R153 IonicContact OE1-NE 3.06Å; E151-R153 PolarHBondContact OE1-NE 2.87Å; E151-R153 IonicContact OE1-NH2 3.27Å; E151-R153 PolarHBondContact OE1-NH2 3.3Å; R153-R170 PolarHBondContact N-O 3.42Å
154P75.1Confident68.4Low48 Ų4863.2 Ų63.231%0.31240%0.4SS..PPolyproline II helixtrans-62.6149.4171.828.1-35.2000110.4R134 S156R134-P154 HydrophobicContact CB-CB 4.22Å; R134-P154 HydrophobicContact CB-CG 3.81Å; P154-S156 PolarHBondContact O-N 3.12Å
155A65.4Low66.9Low71 Ų7162.6 Ų62.659%0.58739%0.393SS*.PPolyproline II helixtrans-60.4129174.400000109.9E157A155-E157 PolarHBondContact O-N 3.18Å
156S54.3Low65.3Low75 Ų7566 Ų6652%0.52440%0.396SS..PPolyproline II helixtrans-69.1124.9177.5-170.30000109.8P154 S158 S159P154-S156 PolarHBondContact O-N 3.12Å; S156-S158 PolarHBondContact O-N 2.98Å; S156-S158 PolarHBondContact OG-OG 3.38Å; S156-S159 PolarHBondContact O-OG 3.43Å
157E45.6Very low63.7Low175 Ų17570.1 Ų70.182%0.81842%0.418SS*.THydrogen-bonded Turntrans-64.4-8.5-178.3-68.4177.6-16800113.7R134 A155R134-E157 IonicContact NH1-OE1 3.5Å; R134-E157 PolarHBondContact NH1-OE1 3.11Å; A155-E157 PolarHBondContact O-N 3.18Å
158S38.5Very low62.5Low106 Ų10673.7 Ų73.774%0.74143%0.433SS*.THydrogen-bonded Turntrans-9811.3-175.2560000115.9S156S156-S158 PolarHBondContact O-N 2.98Å; S156-S158 PolarHBondContact OG-OG 3.38Å
159S40.7Very low61.7Low59 Ų5974.4 Ų74.441%0.41344%0.437SS..SBendtrans-130.7126.5-176.326.50000113S156S156-S159 PolarHBondContact O-OG 3.43Å
160P41.2Very low61.2Low99 Ų9979.2 Ų79.264%0.64346%0.455SS*.  trans-67144.2-175.926.3-32.7000112L162P160-L162 HydrophobicContact CB-CD1 4.41Å; P160-L162 PolarHBondContact O-N 3.46Å
161A45.2Very low61Low111 Ų11180.4 Ų80.492%0.91746%0.46SS*.  trans-71.547.6-174.700000114.4
162L39.9Very low61Low148 Ų14880.5 Ų80.578%0.77546%0.461SS*.  trans-10874.5179.9-80.9145.2000110.3P160P160-L162 HydrophobicContact CB-CD1 4.41Å; P160-L162 PolarHBondContact O-N 3.46Å
163S44.3Very low61.2Low56 Ų5679.8 Ų79.839%0.39246%0.458SS..  trans160.7124.7146.746.20000111.5T165 R166S163-T165 PolarHBondContact O-N 2.86Å; S163-R166 PolarHBondContact O-N 3.16Å; S163-R166 VanDerWaalsContact O-N 3.11Å
164S49.9Very low61.6Low104 Ų10475.5 Ų75.573%0.72744%0.442SS*.THydrogen-bonded Turntrans-60.9-9.2177.256.60000115
165T50.2Low62.5Low67 Ų6775.5 Ų75.541%0.41144%0.436SS..THydrogen-bonded Turntrans-88.7-15.8176.338.50000114S163 L221S163-T165 PolarHBondContact O-N 2.86Å; T165-L221 HydrophobicContact CG2-CD2 4.23Å
166R49.9Very low63.8Low135 Ų13573.8 Ų73.851%0.50941%0.414SS..THydrogen-bonded Turntrans-74.8-35.4179.3-83.4-175.3179.1-161.4-0.5113.7S163 K168 L169S163-R166 PolarHBondContact O-N 3.16Å; S163-R166 VanDerWaalsContact O-N 3.11Å; R166-K168 PolarHBondContact O-N 3.29Å; R166-K168 VanDerWaalsContact O-N 3.15Å; R166-L169 PolarHBondContact O-N 2.96Å
167D56Low65.5Low106 Ų10672.7 Ų72.757%0.56740%0.402SS*.THydrogen-bonded Turntrans-64.6-20.5179.1-81.8-20000114R170D167-R170 PolarHBondContact O-NE 3.28Å
168K66.7Low67.5Low75 Ų7564.9 Ų64.933%0.32637%0.367SS..THydrogen-bonded Turntrans-88.8-12-176.6-64.4176.7179.3177.60113.6R166 L221R166-K168 PolarHBondContact O-N 3.29Å; R166-K168 VanDerWaalsContact O-N 3.15Å; K168-L221 HydrophobicContact CB-CD1 3.81Å; K168-L221 HydrophobicContact CD-CD1 3.5Å; K168-L221 VanDerWaalsContact CD-CD1 3.5Å; K168-L221 HydrophobicContact CD-CG 4.04Å; K168-L221 HydrophobicContact CG-CD1 4.28Å
169L78.1Confident69.7Low15 Ų1565.5 Ų65.58%0.07936%0.358CS..  trans-123.451.1-175.8-69.3-177000112.3R166 N196 N197 P198 I223 F258 R259R166-L169 PolarHBondContact O-N 2.96Å; L169-N196 WeakPolarHBondContact O-CA 3.29Å; L169-N197 CarbonylContact C-O 3.57Å; L169-N197 VanDerWaalsContact CA-O 3.28Å; L169-N197 WeakPolarHBondContact CA-O 3.26Å; L169-P198 HydrophobicContact CD2-CB 4.07Å; L169-P198 HydrophobicContact CD2-CG 4.4Å; L169-P198 VanDerWaalsContact CD2-N 3.28Å; L169-I223 HydrophobicContact CD1-CD1 3.87Å; L169-I223 HydrophobicContact CD2-CD1 3.73Å; L169-I223 HydrophobicContact CG-CD1 4.1Å; L169-F258 HydrophobicContact CD2-CD1 4.22Å; L169-F258 HydrophobicContact CD2-CE1 4.2Å; L169-R259 HydrophobicContact CD1-CG 4.04Å
170R85Confident71.4Confident101 Ų10164.6 Ų64.638%0.38135%0.35SS..  trans-107.411.6-176.560.5177.5153.6162.25.1114.2E152 R153 D167 N197E152-R170 HydrophobicContact CG-CG 4.13Å; E152-R170 IonicContact OE1-CZ 2.61Å; E152-R170 IonicContact OE1-NE 3.8Å; E152-R170 PolarHBondContact OE1-NE 3.04Å; E152-R170 IonicContact OE1-NH1 2.91Å; E152-R170 PolarHBondContact OE1-NH1 3.1Å; E152-R170 IonicContact OE1-NH2 3.23Å; E152-R170 PolarHBondContact OE1-NH2 3.5Å; R153-R170 PolarHBondContact N-O 3.42Å; D167-R170 PolarHBondContact O-NE 3.28Å; R170-N197 PolarHBondContact N-O 3.36Å
171Y89.2Confident73Confident25 Ų2565.3 Ų65.310%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-98.5147.3-175.8-58.6-95.5000111.4V138 E151 E152 N196 N197 K199V138-Y171 HydrophobicContact CG1-CE1 4.07Å; V138-Y171 HydrophobicContact CG2-CD1 4.01Å; V138-Y171 HydrophobicContact CG2-CE1 4.09Å; E151-Y171 CarbonylContact O-C 3.58Å; E151-Y171 WeakPolarHBondContact O-CA 3.46Å; E152-Y171 HydrophobicContact CB-CD1 3.77Å; E152-Y171 HydrophobicContact CB-CE1 3.57Å; E152-Y171 HydrophobicContact CG-CD1 4.21Å; E152-Y171 HydrophobicContact CG-CE1 3.77Å; Y171-N196 PolarHBondContact O-N 3.48Å; Y171-N197 WeakPolarHBondContact CB-O 3.42Å; Y171-N197 WeakPolarHBondContact CD2-O 3.44Å; Y171-N197 PolarHBondContact N-O 3.06Å; Y171-N197 VanDerWaalsContact N-O 3.12Å; Y171-N197 WeakPolarHBondContact O-CB 3.42Å; Y171-N197 PolarHBondContact O-N 2.95Å; Y171-N197 PolarHBondContact O-ND2 3.27Å; Y171-K199 HydrophobicContact CD1-CB 4.33Å; Y171-K199 HydrophobicContact CD1-CG 4.43Å; Y171-K199 HydrophobicContact CD2-CB 4.15Å; Y171-K199 HydrophobicContact CE1-CB 3.96Å; Y171-K199 HydrophobicContact CE1-CD 4.33Å; Y171-K199 HydrophobicContact CE1-CG 3.96Å; Y171-K199 HydrophobicContact CE2-CB 3.8Å; Y171-K199 HydrophobicContact CG-CB 4.41Å
172C91.5Very high74.1Confident6 Ų667.3 Ų67.34%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-120148.1171.4-64.60000109.4C150 E151 I192 L194C150-C172 CarbonylContact C-O 3.5Å; C150-C172 WeakPolarHBondContact CA-O 3.39Å; E151-C172 HydrophobicContact CG-CB 3.93Å; E151-C172 PolarHBondContact N-O 3.49Å; E151-C172 PolarHBondContact O-N 2.92Å; C172-I192 HydrophobicContact CB-CG2 4.02Å; C172-L194 CarbonylContact C-O 3.43Å; C172-L194 VanDerWaalsContact CA-O 3.28Å; C172-L194 WeakPolarHBondContact CA-O 3.46Å
173V93.6Very high75.4Confident3 Ų362.5 Ų62.52%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-102.6121.2167.1-1780000107.4V148 W149 I193 L194 F200 V202 L211V148-V173 HydrophobicContact CG1-CG1 3.92Å; W149-V173 CarbonylContact O-C 3.54Å; W149-V173 WeakPolarHBondContact O-CA 3.36Å; V173-I193 HydrophobicContact CG1-CD1 4.26Å; V173-I193 PolarHBondContact O-N 3.42Å; V173-L194 HydrophobicContact CB-CB 4.3Å; V173-L194 PolarHBondContact N-O 2.91Å; V173-L194 PolarHBondContact O-N 3.4Å; V173-F200 HydrophobicContact CG2-CD2 4.42Å; V173-V202 HydrophobicContact CG1-CG1 4.41Å; V173-L211 HydrophobicContact CG1-CD2 4.18Å; V173-L211 HydrophobicContact CG2-CD1 4.05Å; V173-L211 HydrophobicContact CG2-CD2 4.18Å
174C93.4Very high76.9Confident0 Ų061.6 Ų61.60%032%0.322CS..EExtended strand (participates in β ladder)trans-122.1156.6-173-650000110.6V148 W149 K191V148-C174 WeakPolarHBondContact CA-O 3.47Å; W149-C174 HydrophobicContact CD2-CB 3.98Å; W149-C174 VanDerWaalsContact CE2-CB 3.45Å; W149-C174 HydrophobicContact CE3-CB 4.43Å; W149-C174 HydrophobicContact CH2-CB 4.01Å; W149-C174 HydrophobicContact CZ2-CB 3.47Å; W149-C174 VanDerWaalsContact CZ2-CB 3.47Å; W149-C174 HydrophobicContact CZ3-CB 4.46Å; W149-C174 PolarHBondContact N-O 2.89Å; W149-C174 PolarHBondContact O-N 3.48Å; C174-K191 CarbonylContact C-O 3.54Å; C174-K191 WeakPolarHBondContact CA-O 3.13Å
175R93.3Very high78.5Confident49 Ų4956.7 Ų56.719%0.18529%0.288CS..EExtended strand (participates in β ladder)trans-138.8156.6173.369.2-179.8-166.893.3-11.2113.5L147 V148 D177 K191 I193 W230L147-R175 CarbonylContact O-C 3.55Å; L147-R175 WeakPolarHBondContact O-CA 3.32Å; V148-R175 HydrophobicContact CG2-CB 4.13Å; R175-D177 IonicContact CZ-OD1 3.3Å; R175-D177 IonicContact NH1-OD1 2.61Å; R175-D177 PolarHBondContact NH1-OD1 3Å; R175-D177 IonicContact NH1-OD2 2.64Å; R175-K191 HydrophobicContact CG-CB 4.02Å; R175-K191 PolarHBondContact N-O 2.85Å; R175-K191 PolarHBondContact O-N 3.24Å; R175-I193 HydrophobicContact CB-CD1 3.99Å; R175-I193 HydrophobicContact CB-CG1 4.39Å; R175-I193 HydrophobicContact CG-CD1 3.99Å; R175-I193 HydrophobicContact CG-CG1 3.99Å; R175-W230 VanDerWaalsContact CD-CH2 3.43Å
176R93Very high80.2Confident34 Ų3456.8 Ų56.813%0.12829%0.286CS..EExtended strand (participates in β ladder)trans-134.6143.3162-77.9-178.7-177.7-168.57.3109.7D128 L129 N131 L147 W149 G188 L190D128-R176 VanDerWaalsContact O-CZ 3.25Å; D128-R176 PolarHBondContact O-NH1 2.89Å; D128-R176 PolarHBondContact O-NH2 3.03Å; L129-R176 PolarHBondContact O-NE 3.4Å; L129-R176 PolarHBondContact O-NH2 3.49Å; L129-R176 VanDerWaalsContact O-NH2 3.08Å; N131-R176 PolarHBondContact OD1-NH2 3.36Å; L147-R176 PolarHBondContact N-O 3.49Å; L147-R176 PolarHBondContact O-N 2.85Å; W149-R176 HydrophobicContact CH2-CB 4.47Å; W149-R176 HydrophobicContact CH2-CG 3.84Å; W149-R176 HydrophobicContact CZ3-CB 4.21Å; W149-R176 HydrophobicContact CZ3-CG 4.09Å; R176-G188 VanDerWaalsContact CD-O 3.27Å; R176-G188 WeakPolarHBondContact CD-O 3.44Å; R176-G188 VanDerWaalsContact CG-O 3.3Å; R176-G188 WeakPolarHBondContact CG-O 3.37Å; R176-L190 HydrophobicContact CG-CB 4.48Å
177D90.4Very high82Confident53 Ų5352.2 Ų52.228%0.28327%0.271SS..EExtended strand (participates in β ladder)trans-68.7140.2166.2-51.1-52.6000107.7S145 L146 R175 L187 G188 K191S145-D177 CarbonylContact O-C 3.59Å; L146-D177 HydrophobicContact CD2-CB 4.49Å; L146-D177 WeakPolarHBondContact CD2-OD1 3.43Å; R175-D177 IonicContact CZ-OD1 3.3Å; R175-D177 IonicContact NH1-OD1 2.61Å; R175-D177 PolarHBondContact NH1-OD1 3Å; R175-D177 IonicContact NH1-OD2 2.64Å; D177-L187 CarbonylContact O-C 3.45Å; D177-L187 WeakPolarHBondContact O-CA 3.3Å; D177-G188 PolarHBondContact O-N 2.91Å; D177-K191 IonicContact OD2-NZ 3.96Å
178C86.9Confident83.6Confident10 Ų1048.5 Ų48.57%0.06826%0.258CS..EExtended strand (participates in β ladder)trans-136.2117.7-172.9-175.90000109.1S145 L147 V185 N186 L187S145-C178 WeakPolarHBondContact CB-O 3.36Å; S145-C178 PolarHBondContact O-N 3.19Å; L147-C178 HydrophobicContact CD1-CB 3.9Å; L147-C178 HydrophobicContact CG-CB 4.06Å; C178-V185 VanDerWaalsContact SG-CG1 3.56Å; C178-N186 WeakPolarHBondContact CA-O 3.38Å; C178-L187 HydrophobicContact CB-CD2 4.06Å
179E84.5Confident84.6Confident119 Ų11947.4 Ų47.456%0.55627%0.268SS*.EExtended strand (participates in β ladder)trans-123.1129.5177.7-67.2179177.500109.2V185 N186E179-V185 CarbonylContact O-C 3.59Å; E179-V185 WeakPolarHBondContact O-CA 3.14Å; E179-N186 HydrophobicContact CB-CB 4.38Å; E179-N186 PolarHBondContact N-O 3.47Å; E179-N186 PolarHBondContact O-N 3.36Å
180V78.3Confident85.2Confident40 Ų4048.3 Ų48.324%0.24227%0.273CS..EExtended strand (participates in β ladder)trans-101.5110.2177.9-174.30000107.8L86 L88 V99 V185L86-V180 HydrophobicContact CB-CG2 4.31Å; L86-V180 HydrophobicContact CD1-CG2 3.75Å; L88-V180 HydrophobicContact CD2-CB 3.73Å; L88-V180 HydrophobicContact CD2-CG1 3.71Å; V99-V180 HydrophobicContact CG2-CG1 4.06Å; V180-V185 HydrophobicContact CG1-CG2 4.34Å; V180-V185 HydrophobicContact CG2-CG1 4.43Å; V180-V185 HydrophobicContact CG2-CG2 4.22Å
181E74.7Confident85.5Confident115 Ų11548.2 Ų48.254%0.53728%0.275SS..EExtended strand (participates in β ladder)trans-99.6165.8173.4-67.2-174.3154.200109.9G183 A184 N186E181-G183 VanDerWaalsContact C-N 3.29Å; E181-G183 PolarHBondContact O-N 3.43Å; E181-A184 PolarHBondContact N-O 2.9Å; E181-A184 PolarHBondContact O-N 3.35Å; E181-A184 VanDerWaalsContact O-O 3.08Å; E181-N186 PolarHBondContact OE2-ND2 3.4Å
182D66.6Low85.6Confident153 Ų15349.4 Ų49.482%0.81828%0.283SS*.THydrogen-bonded Turntrans-61.387-178.2-91-28.5000111.6
183G68.3Low85.6Confident47 Ų4749.7 Ų49.749%0.48528%0.284SS..THydrogen-bonded Turntrans115.3-8.2175.100000116.3E181E181-G183 VanDerWaalsContact C-N 3.29Å; E181-G183 PolarHBondContact O-N 3.43Å
184A76.4Confident85.5Confident37 Ų3749.6 Ų49.631%0.30628%0.283SS..EExtended strand (participates in β ladder)trans-150161.2-178.100000112.7E181E181-A184 PolarHBondContact N-O 2.9Å; E181-A184 PolarHBondContact O-N 3.35Å; E181-A184 VanDerWaalsContact O-O 3.08Å
185V83.4Confident85.4Confident0 Ų052.3 Ų52.30%030%0.296CS..EExtended strand (participates in β ladder)trans-116115176.2-176.60000109.6F111 Q125 C178 E179 V180 L187F111-V185 HydrophobicContact CB-CG2 3.96Å; F111-V185 HydrophobicContact CD1-CB 4.05Å; F111-V185 HydrophobicContact CD1-CG1 3.93Å; F111-V185 HydrophobicContact CD1-CG2 3.67Å; F111-V185 HydrophobicContact CD2-CB 4.33Å; F111-V185 HydrophobicContact CD2-CG2 4.46Å; F111-V185 HydrophobicContact CE1-CB 4.27Å; F111-V185 HydrophobicContact CE1-CG1 3.69Å; F111-V185 HydrophobicContact CE1-CG2 4.32Å; F111-V185 HydrophobicContact CE2-CG1 4.45Å; F111-V185 HydrophobicContact CG-CB 4.09Å; F111-V185 HydrophobicContact CG-CG1 4.42Å; F111-V185 HydrophobicContact CG-CG2 3.77Å; F111-V185 HydrophobicContact CZ-CG1 3.98Å; Q125-V185 PolarHBondContact NE2-O 2.89Å; Q125-V185 PolarHBondContact OE1-O 3.13Å; C178-V185 VanDerWaalsContact SG-CG1 3.56Å; E179-V185 CarbonylContact O-C 3.59Å; E179-V185 WeakPolarHBondContact O-CA 3.14Å; V180-V185 HydrophobicContact CG1-CG2 4.34Å; V180-V185 HydrophobicContact CG2-CG1 4.43Å; V180-V185 HydrophobicContact CG2-CG2 4.22Å; V185-L187 HydrophobicContact CG1-CD2 4.2Å
186N85.9Confident85Confident69 Ų6953 Ų5337%0.36930%0.303SS..EExtended strand (participates in β ladder)trans-86.4116.6177.7-66.5-31.7000109.4C178 E179 E181C178-N186 WeakPolarHBondContact CA-O 3.38Å; E179-N186 HydrophobicContact CB-CB 4.38Å; E179-N186 PolarHBondContact N-O 3.47Å; E179-N186 PolarHBondContact O-N 3.36Å; E181-N186 PolarHBondContact OE2-ND2 3.4Å
187L88Confident84.7Confident39 Ų3951.3 Ų51.320%0.20430%0.297CS..EExtended strand (participates in β ladder)trans-102.6121.1174.5-63.4-178.7000110F111 L129 L147 D177 C178 V185F111-L187 HydrophobicContact CE2-CD1 4.2Å; F111-L187 HydrophobicContact CZ-CD1 4.13Å; F111-L187 HydrophobicContact CZ-CD2 4.1Å; F111-L187 HydrophobicContact CZ-CG 4.44Å; L129-L187 HydrophobicContact CD2-CD1 4.26Å; L147-L187 HydrophobicContact CD1-CD2 3.52Å; D177-L187 CarbonylContact O-C 3.45Å; D177-L187 WeakPolarHBondContact O-CA 3.3Å; C178-L187 HydrophobicContact CB-CD2 4.06Å; V185-L187 HydrophobicContact CG1-CD2 4.2Å
188G88.1Confident84.5Confident28 Ų2849 Ų4929%0.28928%0.284SS..  trans-67.9179.517400000113.3R176 D177R176-G188 VanDerWaalsContact CD-O 3.27Å; R176-G188 WeakPolarHBondContact CD-O 3.44Å; R176-G188 VanDerWaalsContact CG-O 3.3Å; R176-G188 WeakPolarHBondContact CG-O 3.37Å; D177-G188 PolarHBondContact O-N 2.91Å
189G89.2Confident84.5Confident53 Ų5351.8 Ų51.855%0.54630%0.295SS..  trans-64.3143.5179.200000113.3K191G189-K191 PolarHBondContact O-N 3.21Å
190L90.3Very high84.7Confident34 Ų3446.2 Ų46.218%0.17827%0.269CS..  trans-64.4127.6174.8-178.8145.5000110.7L129 W149 R176 I192L129-L190 WeakPolarHBondContact O-CD1 3.31Å; W149-L190 HydrophobicContact CH2-CD1 4.14Å; W149-L190 HydrophobicContact CH2-CG 4.44Å; W149-L190 HydrophobicContact CZ2-CD1 3.73Å; W149-L190 HydrophobicContact CZ2-CG 4.4Å; R176-L190 HydrophobicContact CG-CB 4.48Å; L190-I192 HydrophobicContact CD2-CD1 4.43Å; L190-I192 HydrophobicContact CD2-CG1 3.81Å
191K91.4Very high85.3Confident99 Ų9946 Ų4643%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-123.7133.9171.8-66.5173.4-175.7162.80109.7C174 R175 D177 G189C174-K191 CarbonylContact C-O 3.54Å; C174-K191 WeakPolarHBondContact CA-O 3.13Å; R175-K191 HydrophobicContact CG-CB 4.02Å; R175-K191 PolarHBondContact N-O 2.85Å; R175-K191 PolarHBondContact O-N 3.24Å; D177-K191 IonicContact OD2-NZ 3.96Å; G189-K191 PolarHBondContact O-N 3.21Å
192I90.8Very high86.2Confident50 Ų5040.8 Ų40.826%0.25624%0.244SC..EExtended strand (participates in β ladder)trans-95.3123.3174.7-50.8165.2000107.3C172 L190 H195C172-I192 HydrophobicContact CB-CG2 4.02Å; L190-I192 HydrophobicContact CD2-CD1 4.43Å; L190-I192 HydrophobicContact CD2-CG1 3.81Å; I192-H195 WeakPolarHBondContact CD1-CE1 3.45Å; I192-H195 WeakPolarHBondContact CG2-CE1 3.35Å
193I92Very high87.4Confident12 Ų1234.1 Ų34.16%0.06221%0.209CC..EExtended strand (participates in β ladder)trans-91.5-38.8-177.1-42.1175.5000109.8V148 V173 R175 W230 F237V148-I193 HydrophobicContact CG1-CD1 4.37Å; V173-I193 HydrophobicContact CG1-CD1 4.26Å; V173-I193 PolarHBondContact O-N 3.42Å; R175-I193 HydrophobicContact CB-CD1 3.99Å; R175-I193 HydrophobicContact CB-CG1 4.39Å; R175-I193 HydrophobicContact CG-CD1 3.99Å; R175-I193 HydrophobicContact CG-CG1 3.99Å; I193-W230 HydrophobicContact CD1-CD2 4.05Å; I193-W230 HydrophobicContact CD1-CE3 3.63Å; I193-W230 HydrophobicContact CD1-CH2 3.45Å; I193-W230 VanDerWaalsContact CD1-CH2 3.45Å; I193-W230 HydrophobicContact CD1-CZ2 3.8Å; I193-W230 HydrophobicContact CD1-CZ3 3.32Å; I193-W230 HydrophobicContact CG1-CH2 4.46Å; I193-W230 HydrophobicContact CG1-CZ2 4.49Å; I193-W230 HydrophobicContact CG2-CD2 4.14Å; I193-W230 HydrophobicContact CG2-CG 4.48Å; I193-W230 HydrophobicContact CG2-CZ2 4.11Å; I193-F237 HydrophobicContact CG2-CE2 4.05Å; I193-F237 HydrophobicContact CG2-CZ 3.55Å
194L91.4Very high88.5Confident0 Ų033.5 Ų33.50%020%0.197CC..EExtended strand (participates in β ladder)trans-146.6135.6-176.6-160.759.9000110.3C172 V173 N197 L211 L228 F237 S256 F258 L261C172-L194 CarbonylContact C-O 3.43Å; C172-L194 VanDerWaalsContact CA-O 3.28Å; C172-L194 WeakPolarHBondContact CA-O 3.46Å; V173-L194 HydrophobicContact CB-CB 4.3Å; V173-L194 PolarHBondContact N-O 2.91Å; V173-L194 PolarHBondContact O-N 3.4Å; L194-N197 WeakPolarHBondContact CD2-OD1 3.41Å; L194-N197 WeakPolarHBondContact CG-OD1 3.27Å; L194-N197 PolarHBondContact O-ND2 2.79Å; L194-L211 HydrophobicContact CD2-CD1 4.22Å; L194-L228 HydrophobicContact CD2-CD1 3.57Å; L194-F237 HydrophobicContact CB-CZ 4.18Å; L194-F237 HydrophobicContact CD1-CE2 4.32Å; L194-F237 HydrophobicContact CD1-CZ 4.36Å; L194-F237 HydrophobicContact CD2-CE1 4.23Å; L194-F237 HydrophobicContact CD2-CZ 4.18Å; L194-F237 HydrophobicContact CG-CZ 4.49Å; L194-S256 CarbonylContact C-O 3.59Å; L194-S256 WeakPolarHBondContact CA-O 3.49Å; L194-F258 HydrophobicContact CD1-CB 4.46Å; L194-F258 HydrophobicContact CD2-CB 4.44Å; L194-F258 HydrophobicContact CD2-CD2 4.33Å; L194-F258 HydrophobicContact CG-CB 4.27Å; L194-L261 HydrophobicContact CD1-CD2 4.5Å
195H89.9Confident89.2Confident57 Ų5731.8 Ų31.826%0.26418%0.183SC..EExtended strand (participates in β ladder)trans-111.1163.9179.7-63.5-82.2000111.5I192 N197 S256 F258I192-H195 WeakPolarHBondContact CD1-CE1 3.45Å; I192-H195 WeakPolarHBondContact CG2-CE1 3.35Å; H195-N197 VanDerWaalsContact C-N 3.26Å; H195-N197 PolarHBondContact N-ND2 2.98Å; H195-N197 PolarHBondContact O-N 2.97Å; H195-N197 PolarHBondContact O-ND2 3.38Å; H195-S256 WeakPolarHBondContact CB-O 3.33Å; H195-S256 PolarHBondContact CD2-O 3.48Å; H195-S256 PolarHBondContact N-O 2.87Å; H195-F258 VanDerWaalsContact O-CB 3.28Å; H195-F258 WeakPolarHBondContact O-CB 3.49Å; H195-F258 PolarHBondContact O-N 3.13Å
196N86.1Confident89.3Confident63 Ų6333.3 Ų33.334%0.33720%0.198SC..EExtended strand (participates in β ladder)trans57.137.8172.2-58.7-36.9000113.5L169 Y171 D257 R259L169-N196 WeakPolarHBondContact O-CA 3.29Å; Y171-N196 PolarHBondContact O-N 3.48Å; N196-D257 PolarHBondContact ND2-OD2 3.26Å; N196-R259 HydrophobicContact CB-CG 4.47Å
197N86Confident89.4Confident0 Ų032.4 Ų32.40%019%0.193CC..EExtended strand (participates in β ladder)trans-87.5156.4-176.1-58.3-80.4000112.3L169 R170 Y171 L194 H195 F200 F258L169-N197 CarbonylContact C-O 3.57Å; L169-N197 VanDerWaalsContact CA-O 3.28Å; L169-N197 WeakPolarHBondContact CA-O 3.26Å; R170-N197 PolarHBondContact N-O 3.36Å; Y171-N197 WeakPolarHBondContact CB-O 3.42Å; Y171-N197 WeakPolarHBondContact CD2-O 3.44Å; Y171-N197 PolarHBondContact N-O 3.06Å; Y171-N197 VanDerWaalsContact N-O 3.12Å; Y171-N197 WeakPolarHBondContact O-CB 3.42Å; Y171-N197 PolarHBondContact O-N 2.95Å; Y171-N197 PolarHBondContact O-ND2 3.27Å; L194-N197 WeakPolarHBondContact CD2-OD1 3.41Å; L194-N197 WeakPolarHBondContact CG-OD1 3.27Å; L194-N197 PolarHBondContact O-ND2 2.79Å; H195-N197 VanDerWaalsContact C-N 3.26Å; H195-N197 PolarHBondContact N-ND2 2.98Å; H195-N197 PolarHBondContact O-N 2.97Å; H195-N197 PolarHBondContact O-ND2 3.38Å; N197-F200 HydrophobicContact CB-CD2 3.87Å; N197-F200 HydrophobicContact CB-CE2 3.8Å; N197-F258 WeakPolarHBondContact OD1-CB 3.46Å
198P86.8Confident89.6Confident4 Ų432.5 Ų32.53%0.02619%0.191CC..PPolyproline II helixtrans-67.1171.4156.333.3-36.1000110.2L169 F200 F258L169-P198 HydrophobicContact CD2-CB 4.07Å; L169-P198 HydrophobicContact CD2-CG 4.4Å; L169-P198 VanDerWaalsContact CD2-N 3.28Å; P198-F200 HydrophobicContact CG-CD1 4.5Å; P198-F200 HydrophobicContact CG-CD2 4.32Å; P198-F200 HydrophobicContact CG-CE1 3.94Å; P198-F200 HydrophobicContact CG-CE2 3.74Å; P198-F200 HydrophobicContact CG-CZ 3.52Å; P198-F200 WeakPolarHBondContact O-CD2 3.35Å; P198-F200 PolarHBondContact O-N 3.18Å; P198-F200 VanDerWaalsContact O-N 3.16Å; P198-F258 HydrophobicContact CG-CE1 4.25Å; P198-F258 HydrophobicContact CG-CZ 4.11Å
199K86.5Confident89.8Confident68 Ų6831.1 Ų31.130%0.29618%0.177SC..PPolyproline II helixtrans-64.8116.6172.4-172.9176.3169.2-154.80109.5V138 Y171 D214V138-K199 HydrophobicContact CG2-CG 4.13Å; Y171-K199 HydrophobicContact CD1-CB 4.33Å; Y171-K199 HydrophobicContact CD1-CG 4.43Å; Y171-K199 HydrophobicContact CD2-CB 4.15Å; Y171-K199 HydrophobicContact CE1-CB 3.96Å; Y171-K199 HydrophobicContact CE1-CD 4.33Å; Y171-K199 HydrophobicContact CE1-CG 3.96Å; Y171-K199 HydrophobicContact CE2-CB 3.8Å; Y171-K199 HydrophobicContact CG-CB 4.41Å; K199-D214 HydrophobicContact CB-CB 4.29Å; K199-D214 HydrophobicContact CD-CB 4.2Å; K199-D214 WeakPolarHBondContact CD-OD2 3.27Å; K199-D214 WeakPolarHBondContact CE-OD2 3.36Å; K199-D214 HydrophobicContact CG-CB 4.21Å; K199-D214 IonicContact NZ-OD2 2.85Å; K199-D214 PolarHBondContact NZ-OD2 3.41Å; K199-D214 PolarHBondContact O-N 2.94Å; K199-D214 VanDerWaalsContact O-N 3.11Å
200F89.3Confident90.1Very high2 Ų228.6 Ų28.61%0.00915%0.151CC..EExtended strand (participates in β ladder)trans-109.5143.4177.7-75.6-58.6000111.6S139 C150 V173 N197 P198 L211 L212 P213 L228 F258S139-F200 WeakPolarHBondContact CB-O 3.27Å; C150-F200 WeakPolarHBondContact CB-O 3.28Å; V173-F200 HydrophobicContact CG2-CD2 4.42Å; N197-F200 HydrophobicContact CB-CD2 3.87Å; N197-F200 HydrophobicContact CB-CE2 3.8Å; P198-F200 HydrophobicContact CG-CD1 4.5Å; P198-F200 HydrophobicContact CG-CD2 4.32Å; P198-F200 HydrophobicContact CG-CE1 3.94Å; P198-F200 HydrophobicContact CG-CE2 3.74Å; P198-F200 HydrophobicContact CG-CZ 3.52Å; P198-F200 WeakPolarHBondContact O-CD2 3.35Å; P198-F200 PolarHBondContact O-N 3.18Å; P198-F200 VanDerWaalsContact O-N 3.16Å; F200-L211 HydrophobicContact CB-CB 4.26Å; F200-L211 HydrophobicContact CD1-CB 3.91Å; F200-L211 HydrophobicContact CD2-CB 4.19Å; F200-L211 HydrophobicContact CD2-CD1 4.45Å; F200-L211 HydrophobicContact CE1-CB 4.25Å; F200-L211 HydrophobicContact CE2-CB 4.48Å; F200-L211 HydrophobicContact CG-CB 3.89Å; F200-L212 CarbonylContact C-O 3.57Å; F200-L212 WeakPolarHBondContact CA-O 3.4Å; F200-P213 HydrophobicContact CE1-CB 4.42Å; F200-L228 HydrophobicContact CE2-CD1 4.47Å; F200-L228 HydrophobicContact CZ-CD1 4.34Å; F200-F258 HydrophobicContact CE2-CD2 4.33Å; F200-F258 HydrophobicContact CE2-CE2 4.23Å; F200-F258 HydrophobicContact CZ-CD2 4.37Å; F200-F258 AromaticContact CZ-CE2 3.83Å; F200-F258 HydrophobicContact CZ-CE2 3.83Å; F200-F258 HydrophobicContact CZ-CZ 4.36Å
201T90.8Very high90.2Very high37 Ų3727.1 Ų27.123%0.22714%0.143CC..EExtended strand (participates in β ladder)trans-86.7117.9158.9-51.60000107.5S139 I203 L212 F280S139-T201 WeakPolarHBondContact OG-CA 3.37Å; T201-I203 HydrophobicContact CG2-CD1 4.37Å; T201-I203 HydrophobicContact CG2-CG1 4.12Å; T201-L212 PolarHBondContact N-O 2.89Å; T201-L212 PolarHBondContact O-N 3.44Å; T201-F280 HydrophobicContact CG2-CZ 4.05Å
202V93.4Very high90.1Very high5 Ų522.4 Ų22.43%0.0312%0.123CC..EExtended strand (participates in β ladder)trans-88.6128.7176.6-65.60000109.4S139 V140 C141 C150 V173 L211S139-V202 WeakPolarHBondContact OG-CG2 3.02Å; S139-V202 PolarHBondContact OG-N 3.19Å; V140-V202 VanDerWaalsContact C-CG2 3.5Å; V140-V202 VanDerWaalsContact CA-CG2 3.49Å; C141-V202 HydrophobicContact CB-CG2 4.14Å; C150-V202 HydrophobicContact CB-CG1 4.2Å; V173-V202 HydrophobicContact CG1-CG1 4.41Å; V202-L211 HydrophobicContact CB-CD2 4.42Å; V202-L211 HydrophobicContact CG1-CD2 3.62Å
203I91.9Very high89.7Confident13 Ų1320.6 Ų20.67%0.06712%0.115CC..EExtended strand (participates in β ladder)trans-133.4127-175.6-57.8151.2000108.2T201 V209 H210 L212 F280 P282 L288T201-I203 HydrophobicContact CG2-CD1 4.37Å; T201-I203 HydrophobicContact CG2-CG1 4.12Å; I203-V209 CarbonylContact O-C 3.41Å; I203-V209 WeakPolarHBondContact O-CA 3.4Å; I203-H210 HydrophobicContact CB-CB 4.48Å; I203-H210 PolarHBondContact N-O 2.86Å; I203-H210 PolarHBondContact O-N 3.34Å; I203-L212 HydrophobicContact CD1-CB 4.23Å; I203-L212 HydrophobicContact CD1-CD1 3.52Å; I203-L212 HydrophobicContact CD1-CG 3.7Å; I203-F280 HydrophobicContact CD1-CD1 4.27Å; I203-F280 HydrophobicContact CD1-CD2 3.47Å; I203-F280 VanDerWaalsContact CD1-CD2 3.47Å; I203-F280 HydrophobicContact CD1-CE1 4.06Å; I203-F280 HydrophobicContact CD1-CE2 3.23Å; I203-F280 HydrophobicContact CD1-CG 4Å; I203-F280 HydrophobicContact CD1-CZ 3.55Å; I203-F280 HydrophobicContact CG1-CD2 4.17Å; I203-F280 HydrophobicContact CG1-CE2 3.55Å; I203-F280 HydrophobicContact CG1-CZ 3.96Å; I203-F280 HydrophobicContact CG2-CE2 4.35Å; I203-P282 HydrophobicContact CG2-CB 4.23Å; I203-L288 HydrophobicContact CG2-CD1 3.99Å
204S91.1Very high88.8Confident34 Ų3421.2 Ų21.224%0.23812%0.118CC..EExtended strand (participates in β ladder)trans-92.1138.617352.60000111.2V142 Y208 P282V142-S204 WeakPolarHBondContact O-CB 3.23Å; V142-S204 PolarHBondContact O-OG 3.41Å; S204-Y208 WeakPolarHBondContact CA-O 3.42Å; S204-P282 VanDerWaalsContact O-CB 3.31Å; S204-P282 WeakPolarHBondContact O-CB 3.39Å
205S90.3Very high87.6Confident1 Ų124.6 Ų24.61%0.00714%0.136CC..EExtended strand (participates in β ladder)trans-145.3115.4171.2-1710000108.3D207 Y208 T283 G284 G286 G287S205-D207 PolarHBondContact O-N 2.94Å; S205-Y208 PolarHBondContact N-O 3.12Å; S205-Y208 PolarHBondContact O-N 3.4Å; S205-T283 PolarHBondContact OG-N 3.25Å; S205-T283 PolarHBondContact OG-OG1 3.4Å; S205-G284 PolarHBondContact OG-N 3.28Å; S205-G284 VanDerWaalsContact OG-N 3.1Å; S205-G286 WeakPolarHBondContact O-CA 3.48Å; S205-G286 PolarHBondContact O-N 3.37Å; S205-G287 WeakPolarHBondContact CB-O 3.23Å; S205-G287 PolarHBondContact OG-O 3.07Å
206G85.9Confident86.1Confident32 Ų3228.9 Ų28.933%0.3315%0.154SC..THydrogen-bonded Turntrans53.3-125.9-172.200000111.9G284G206-G284 VanDerWaalsContact CA-O 3.29Å; G206-G284 WeakPolarHBondContact CA-O 3.35Å; G206-G284 PolarHBondContact N-O 2.92Å
207D88Confident84.8Confident50 Ų5027.7 Ų27.727%0.26715%0.152SC..THydrogen-bonded Turntrans-92.116.6177.5-70.6-57.9000113.9S144 S205 P232 R233S144-D207 PolarHBondContact OG-OD1 3.43Å; S205-D207 PolarHBondContact O-N 2.94Å; D207-P232 VanDerWaalsContact O-CD 3.25Å; D207-P232 WeakPolarHBondContact O-CD 3.28Å; D207-R233 IonicContact OD1-CZ 3.14Å; D207-R233 VanDerWaalsContact OD1-CZ 3.29Å; D207-R233 IonicContact OD1-NE 3.92Å; D207-R233 PolarHBondContact OD1-NE 2.86Å; D207-R233 VanDerWaalsContact OD1-NE 3.11Å; D207-R233 IonicContact OD1-NH2 3.65Å; D207-R233 PolarHBondContact OD1-NH2 3.23Å; D207-R233 IonicContact OD2-CZ 3.84Å; D207-R233 IonicContact OD2-NE 2.72Å; D207-R233 PolarHBondContact OD2-NE 2.97Å; D207-R233 IonicContact OD2-NH1 2.65Å; D207-R233 IonicContact OD2-NH2 2.76Å; D207-R233 PolarHBondContact OD2-NH2 3.13Å
208Y91.9Very high83.3Confident40 Ų4037.9 Ų37.916%0.15720%0.197CC..EExtended strand (participates in β ladder)trans-122.6151.1-175.9-64.6-98.3000112S204 S205 T229 G286 E302S204-Y208 WeakPolarHBondContact CA-O 3.42Å; S205-Y208 PolarHBondContact N-O 3.12Å; S205-Y208 PolarHBondContact O-N 3.4Å; Y208-T229 HydrophobicContact CD1-CG2 3.85Å; Y208-T229 HydrophobicContact CG-CG2 4.42Å; Y208-G286 VanDerWaalsContact CD2-CA 3.44Å; Y208-E302 HydrophobicContact CE2-CB 4.21Å; Y208-E302 HydrophobicContact CE2-CG 4.27Å
209V93.8Very high81.6Confident0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-119.7118.5174.2-178.10000109.4C143 V148 I203 L211 W230 P232C143-V209 HydrophobicContact CB-CG2 3.68Å; V148-V209 HydrophobicContact CG1-CG1 4.2Å; V148-V209 HydrophobicContact CG2-CG2 4.32Å; I203-V209 CarbonylContact O-C 3.41Å; I203-V209 WeakPolarHBondContact O-CA 3.4Å; V209-L211 HydrophobicContact CG1-CD2 4.17Å; V209-W230 HydrophobicContact CB-CB 4.46Å; V209-W230 HydrophobicContact CB-CE3 3.93Å; V209-W230 HydrophobicContact CG2-CE3 3.87Å; V209-W230 HydrophobicContact CG2-CZ3 4.15Å; V209-W230 PolarHBondContact N-O 3.17Å; V209-W230 PolarHBondContact O-N 3.41Å; V209-P232 HydrophobicContact CG2-CG 4.4Å
210H93.9Very high80Confident0 Ų045.1 Ų45.10%023%0.233CC..EExtended strand (participates in β ladder)trans-95.1135.8175.6-52.1-78.9000110.4I203 L228 T229 G286 L288I203-H210 HydrophobicContact CB-CB 4.48Å; I203-H210 PolarHBondContact N-O 2.86Å; I203-H210 PolarHBondContact O-N 3.34Å; H210-L228 CarbonylContact C-O 3.56Å; H210-L228 WeakPolarHBondContact CA-O 3.45Å; H210-T229 WeakPolarHBondContact ND1-CG2 3.5Å; H210-T229 PolarHBondContact ND1-OG1 3.37Å; H210-G286 PolarHBondContact CE1-O 2.6Å; H210-G286 PolarHBondContact NE2-O 2.9Å; H210-L288 HydrophobicContact CB-CD2 4.07Å
211L93Very high78.4Confident2 Ų246.9 Ų46.91%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-109.796177.1-50.5-178.5000108V173 L194 F200 V202 V209 F227 L228 F237V173-L211 HydrophobicContact CG1-CD2 4.18Å; V173-L211 HydrophobicContact CG2-CD1 4.05Å; V173-L211 HydrophobicContact CG2-CD2 4.18Å; L194-L211 HydrophobicContact CD2-CD1 4.22Å; F200-L211 HydrophobicContact CB-CB 4.26Å; F200-L211 HydrophobicContact CD1-CB 3.91Å; F200-L211 HydrophobicContact CD2-CB 4.19Å; F200-L211 HydrophobicContact CD2-CD1 4.45Å; F200-L211 HydrophobicContact CE1-CB 4.25Å; F200-L211 HydrophobicContact CE2-CB 4.48Å; F200-L211 HydrophobicContact CG-CB 3.89Å; V202-L211 HydrophobicContact CB-CD2 4.42Å; V202-L211 HydrophobicContact CG1-CD2 3.62Å; V209-L211 HydrophobicContact CG1-CD2 4.17Å; L211-F227 WeakPolarHBondContact O-CA 3.39Å; L211-F227 WeakPolarHBondContact O-CB 3.48Å; L211-L228 HydrophobicContact CB-CB 4.1Å; L211-L228 HydrophobicContact CD1-CB 4.06Å; L211-L228 HydrophobicContact CD1-CD1 4.06Å; L211-L228 HydrophobicContact CG-CB 4.29Å; L211-L228 PolarHBondContact N-O 2.85Å; L211-L228 PolarHBondContact O-N 2.97Å; L211-F237 HydrophobicContact CD1-CE1 4.2Å
212L90.1Very high77Confident0 Ų048.9 Ų48.90%026%0.256CS..EExtended strand (participates in β ladder)trans-93.8130.7177.6-68.2-169.4000110.6F200 T201 I203 F227 I277 F280 L288 L290F200-L212 CarbonylContact C-O 3.57Å; F200-L212 WeakPolarHBondContact CA-O 3.4Å; T201-L212 PolarHBondContact N-O 2.89Å; T201-L212 PolarHBondContact O-N 3.44Å; I203-L212 HydrophobicContact CD1-CB 4.23Å; I203-L212 HydrophobicContact CD1-CD1 3.52Å; I203-L212 HydrophobicContact CD1-CG 3.7Å; L212-F227 HydrophobicContact CD2-CB 3.63Å; L212-F227 HydrophobicContact CD2-CD2 4.24Å; L212-F227 HydrophobicContact CD2-CG 3.94Å; L212-I277 HydrophobicContact CD2-CD1 4.03Å; L212-F280 HydrophobicContact CD1-CB 4Å; L212-F280 HydrophobicContact CD1-CD1 3.57Å; L212-F280 HydrophobicContact CD1-CD2 4.46Å; L212-F280 HydrophobicContact CD1-CE1 4.15Å; L212-F280 HydrophobicContact CD1-CG 3.75Å; L212-L288 HydrophobicContact CD1-CD2 4.01Å; L212-L288 HydrophobicContact CD2-CD2 4.14Å; L212-L288 HydrophobicContact CG-CD2 4.22Å; L212-L290 HydrophobicContact CD1-CD2 4.13Å
213P81.6Confident75.5Confident13 Ų1349.9 Ų49.98%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-59148.8176.123.7-30.8000110.7F200 L215 S224F200-P213 HydrophobicContact CE1-CB 4.42Å; P213-L215 PolarHBondContact O-N 2.98Å; P213-S224 VanDerWaalsContact CB-O 3.22Å; P213-S224 WeakPolarHBondContact CB-O 3.36Å; P213-S224 WeakPolarHBondContact CG-O 3.39Å
214D74.1Confident74Confident24 Ų2450.2 Ų50.213%0.12827%0.265CS..  trans-57.5111.5-176.6-174.32.3000112.2K199 K216 A217K199-D214 HydrophobicContact CB-CB 4.29Å; K199-D214 HydrophobicContact CD-CB 4.2Å; K199-D214 WeakPolarHBondContact CD-OD2 3.27Å; K199-D214 WeakPolarHBondContact CE-OD2 3.36Å; K199-D214 HydrophobicContact CG-CB 4.21Å; K199-D214 IonicContact NZ-OD2 2.85Å; K199-D214 PolarHBondContact NZ-OD2 3.41Å; K199-D214 PolarHBondContact O-N 2.94Å; K199-D214 VanDerWaalsContact O-N 3.11Å; D214-K216 PolarHBondContact O-N 3.22Å; D214-K216 PolarHBondContact OD1-N 3.35Å; D214-A217 HydrophobicContact CB-CB 4.05Å; D214-A217 PolarHBondContact O-N 2.93Å
215L64.8Low73.2Confident71 Ų7151.6 Ų51.637%0.37227%0.267SS..THydrogen-bonded Turntrans-64.9-19.7-177.6-52.6-177.4000113.3P213 I277 F280P213-L215 PolarHBondContact O-N 2.98Å; L215-I277 HydrophobicContact CD1-CG2 4.45Å; L215-I277 HydrophobicContact CD2-CB 3.81Å; L215-I277 HydrophobicContact CD2-CG2 4.04Å; L215-I277 WeakPolarHBondContact CD2-O 3.3Å; L215-F280 HydrophobicContact CD1-CD1 3.88Å; L215-F280 HydrophobicContact CD1-CE1 3.87Å
216K59.4Low72.8Confident147 Ų14751.6 Ų51.664%0.63927%0.267SS*.THydrogen-bonded Turntrans-95.1-14.7-177-65.7176.2-179.6169.40112.9D214D214-K216 PolarHBondContact O-N 3.22Å; D214-K216 PolarHBondContact OD1-N 3.35Å
217A58.7Low72.9Confident38 Ų3850.2 Ų50.231%0.31425%0.251SS..SBendtrans-91.8115.5-178.700000109.2D214 L219D214-A217 HydrophobicContact CB-CB 4.05Å; D214-A217 PolarHBondContact O-N 2.93Å; A217-L219 HydrophobicContact CB-CD1 3.57Å; A217-L219 HydrophobicContact CB-CG 3.89Å; A217-L219 PolarHBondContact O-N 3.41Å
218K53.3Low73.1Confident215 Ų21547.8 Ų47.894%0.93524%0.239SC*.  trans-67.374.2166.5-72.2-173.8178.3-177.30109.3Q220K218-Q220 PolarHBondContact O-N 3.29Å
219L52.8Low73.1Confident48 Ų4846.3 Ų46.325%0.25123%0.234SC..  trans-82.9107-178.6-85.8150.3000108.8A217 L221 S224A217-L219 HydrophobicContact CB-CD1 3.57Å; A217-L219 HydrophobicContact CB-CG 3.89Å; A217-L219 PolarHBondContact O-N 3.41Å; L219-L221 PolarHBondContact O-N 3.04Å; L219-S224 PolarHBondContact O-OG 3.16Å
220Q51.1Low73.1Confident176 Ų17646.6 Ų46.682%0.82224%0.235SC*.  trans-65.811175.5-67.6175.4-32.800114.7K218K218-Q220 PolarHBondContact O-N 3.29Å
221L57.6Low73Confident39 Ų3946.8 Ų46.820%0.20424%0.236CC..  trans-103.9128.1-176.9-64.8176.7000110.8T165 K168 L219 I223 S224T165-L221 HydrophobicContact CG2-CD2 4.23Å; K168-L221 HydrophobicContact CB-CD1 3.81Å; K168-L221 HydrophobicContact CD-CD1 3.5Å; K168-L221 VanDerWaalsContact CD-CD1 3.5Å; K168-L221 HydrophobicContact CD-CG 4.04Å; K168-L221 HydrophobicContact CG-CD1 4.28Å; L219-L221 PolarHBondContact O-N 3.04Å; L221-I223 HydrophobicContact CB-CD1 4.26Å; L221-I223 HydrophobicContact CB-CG1 3.89Å; L221-I223 HydrophobicContact CD1-CD1 3.93Å; L221-I223 HydrophobicContact CD1-CG1 4.4Å; L221-I223 PolarHBondContact O-N 3.4Å; L221-S224 WeakPolarHBondContact O-CB 3.4Å; L221-S224 PolarHBondContact O-N 3.1Å; L221-S224 PolarHBondContact O-OG 3.43Å
222C59.5Low72.8Confident78 Ų7848 Ų4853%0.52724%0.244SC..G310 helixtrans-54.1-26.7177.2-60.30000113.6S224 K225 L269C222-S224 PolarHBondContact O-N 2.95Å; C222-K225 WeakPolarHBondContact O-CB 3.39Å; C222-K225 PolarHBondContact O-N 2.91Å; C222-L269 WeakPolarHBondContact O-CD1 3.25Å
223I63.6Low72.6Confident27 Ų2756.5 Ų56.514%0.13828%0.276CS..G310 helixtrans-68.4-19.8179.670.7-167.7000114.2L169 L221 K225 F258 I262 L266L169-I223 HydrophobicContact CD1-CD1 3.87Å; L169-I223 HydrophobicContact CD2-CD1 3.73Å; L169-I223 HydrophobicContact CG-CD1 4.1Å; L221-I223 HydrophobicContact CB-CD1 4.26Å; L221-I223 HydrophobicContact CB-CG1 3.89Å; L221-I223 HydrophobicContact CD1-CD1 3.93Å; L221-I223 HydrophobicContact CD1-CG1 4.4Å; L221-I223 PolarHBondContact O-N 3.4Å; I223-K225 PolarHBondContact O-N 3.36Å; I223-F258 HydrophobicContact CB-CE1 4.28Å; I223-F258 HydrophobicContact CB-CZ 4.47Å; I223-F258 HydrophobicContact CD1-CE1 4.37Å; I223-F258 HydrophobicContact CG1-CE1 4.46Å; I223-I262 HydrophobicContact CB-CD1 3.65Å; I223-I262 HydrophobicContact CG2-CD1 3.46Å; I223-I262 VanDerWaalsContact CG2-CD1 3.46Å; I223-L266 HydrophobicContact CG2-CD2 3.65Å
224S60.5Low72.8Confident20 Ų2061.9 Ų61.914%0.1430%0.3CS..G310 helixtrans-77.93.217664.90000113.2P213 L219 L221 C222P213-S224 VanDerWaalsContact CB-O 3.22Å; P213-S224 WeakPolarHBondContact CB-O 3.36Å; P213-S224 WeakPolarHBondContact CG-O 3.39Å; L219-S224 PolarHBondContact O-OG 3.16Å; L221-S224 WeakPolarHBondContact O-CB 3.4Å; L221-S224 PolarHBondContact O-N 3.1Å; L221-S224 PolarHBondContact O-OG 3.43Å; C222-S224 PolarHBondContact O-N 2.95Å
225K74.1Confident73.4Confident63 Ų6364.3 Ų64.327%0.27431%0.313SS..G310 helixtrans-100.7-1.8179.1-66171.5156-172.10113C222 I223 L269 E273 P274C222-K225 WeakPolarHBondContact O-CB 3.39Å; C222-K225 PolarHBondContact O-N 2.91Å; I223-K225 PolarHBondContact O-N 3.36Å; K225-L269 HydrophobicContact CB-CD1 3.91Å; K225-E273 IonicContact NZ-OE1 3.79Å; K225-E273 PolarHBondContact NZ-OE1 3.21Å; K225-P274 HydrophobicContact CB-CG 3.48Å; K225-P274 VanDerWaalsContact CB-CG 3.48Å; K225-P274 HydrophobicContact CD-CG 3.49Å; K225-P274 VanDerWaalsContact CD-CG 3.49Å; K225-P274 HydrophobicContact CG-CG 3.68Å
226F81.4Confident74.6Confident1 Ų161.4 Ų61.40%0.00430%0.299CS..  trans-95.4146.3167.9-62.7-63.9000110.3I239 I248 I262 S265 L266 L269F226-I239 HydrophobicContact CB-CG2 4.4Å; F226-I239 HydrophobicContact CD1-CG2 4Å; F226-I239 HydrophobicContact CG-CG2 4.29Å; F226-I248 HydrophobicContact CD1-CD1 3.75Å; F226-I248 HydrophobicContact CE1-CD1 3.33Å; F226-I248 HydrophobicContact CZ-CD1 4.45Å; F226-I262 HydrophobicContact CD2-CG2 4.4Å; F226-S265 WeakPolarHBondContact CZ-O 3.41Å; F226-L266 HydrophobicContact CE2-CD2 4.33Å; F226-L269 HydrophobicContact CD1-CD1 4.11Å; F226-L269 HydrophobicContact CD2-CD1 3.78Å; F226-L269 HydrophobicContact CE1-CD1 3.6Å; F226-L269 HydrophobicContact CE1-CD2 4.06Å; F226-L269 HydrophobicContact CE1-CG 3.64Å; F226-L269 HydrophobicContact CE2-CD1 3.26Å; F226-L269 HydrophobicContact CE2-CG 4.01Å; F226-L269 HydrophobicContact CG-CD1 4.19Å; F226-L269 HydrophobicContact CZ-CB 4.47Å; F226-L269 HydrophobicContact CZ-CD1 3.17Å; F226-L269 HydrophobicContact CZ-CD2 4.29Å; F226-L269 HydrophobicContact CZ-CG 3.37Å
227F87.8Confident76.2Confident2 Ų254.5 Ų54.51%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-124.8151.8165.156.1-88.6000109.5L211 L212 S240 T242 I277 L290 L300L211-F227 WeakPolarHBondContact O-CA 3.39Å; L211-F227 WeakPolarHBondContact O-CB 3.48Å; L212-F227 HydrophobicContact CD2-CB 3.63Å; L212-F227 HydrophobicContact CD2-CD2 4.24Å; L212-F227 HydrophobicContact CD2-CG 3.94Å; F227-S240 PolarHBondContact N-O 2.94Å; F227-S240 VanDerWaalsContact N-O 3.09Å; F227-S240 PolarHBondContact O-N 3.5Å; F227-T242 HydrophobicContact CE1-CG2 3.92Å; F227-I277 HydrophobicContact CD1-CD1 4.36Å; F227-L290 HydrophobicContact CZ-CD1 4.21Å; F227-L300 HydrophobicContact CD2-CD2 4.4Å; F227-L300 HydrophobicContact CE2-CD1 4.1Å; F227-L300 HydrophobicContact CE2-CD2 3.79Å
228L91.2Very high77.7Confident0 Ų053.4 Ų53.40%026%0.258CS..EExtended strand (participates in β ladder)trans-115.3144.1-174.8-54.5175000110L194 F200 H210 L211 F237 T238 I239 F258 L261L194-L228 HydrophobicContact CD2-CD1 3.57Å; F200-L228 HydrophobicContact CE2-CD1 4.47Å; F200-L228 HydrophobicContact CZ-CD1 4.34Å; H210-L228 CarbonylContact C-O 3.56Å; H210-L228 WeakPolarHBondContact CA-O 3.45Å; L211-L228 HydrophobicContact CB-CB 4.1Å; L211-L228 HydrophobicContact CD1-CB 4.06Å; L211-L228 HydrophobicContact CD1-CD1 4.06Å; L211-L228 HydrophobicContact CG-CB 4.29Å; L211-L228 PolarHBondContact N-O 2.85Å; L211-L228 PolarHBondContact O-N 2.97Å; L228-F237 HydrophobicContact CB-CD1 4.42Å; L228-T238 CarbonylContact C-O 3.54Å; L228-T238 WeakPolarHBondContact CA-O 3.5Å; L228-I239 HydrophobicContact CD2-CB 4.14Å; L228-I239 HydrophobicContact CD2-CG1 3.78Å; L228-I239 HydrophobicContact CD2-CG2 4.1Å; L228-F258 HydrophobicContact CD1-CD2 4.03Å; L228-F258 HydrophobicContact CD1-CE2 4.11Å; L228-L261 HydrophobicContact CD1-CD2 3.71Å; L228-L261 HydrophobicContact CD2-CD2 3.82Å; L228-L261 HydrophobicContact CG-CD2 4.43Å
229T93.3Very high79.4Confident9 Ų943.1 Ų43.16%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-116.1116.1167.3-59.10000108.3Y208 H210 F237 T238Y208-T229 HydrophobicContact CD1-CG2 3.85Å; Y208-T229 HydrophobicContact CG-CG2 4.42Å; H210-T229 WeakPolarHBondContact ND1-CG2 3.5Å; H210-T229 PolarHBondContact ND1-OG1 3.37Å; T229-F237 CarbonylContact O-C 3.48Å; T229-F237 WeakPolarHBondContact O-CA 3.44Å; T229-T238 PolarHBondContact N-O 3.03Å; T229-T238 PolarHBondContact O-N 3.37Å
230W93.1Very high81.1Confident5 Ų541 Ų412%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-95.8131.1174.818051000109.7L146 V148 R175 I193 V209 P232 S236 F237L146-W230 HydrophobicContact CD1-CH2 4.15Å; V148-W230 HydrophobicContact CG2-CZ3 4.04Å; R175-W230 VanDerWaalsContact CD-CH2 3.43Å; I193-W230 HydrophobicContact CD1-CD2 4.05Å; I193-W230 HydrophobicContact CD1-CE3 3.63Å; I193-W230 HydrophobicContact CD1-CH2 3.45Å; I193-W230 VanDerWaalsContact CD1-CH2 3.45Å; I193-W230 HydrophobicContact CD1-CZ2 3.8Å; I193-W230 HydrophobicContact CD1-CZ3 3.32Å; I193-W230 HydrophobicContact CG1-CH2 4.46Å; I193-W230 HydrophobicContact CG1-CZ2 4.49Å; I193-W230 HydrophobicContact CG2-CD2 4.14Å; I193-W230 HydrophobicContact CG2-CG 4.48Å; I193-W230 HydrophobicContact CG2-CZ2 4.11Å; V209-W230 HydrophobicContact CB-CB 4.46Å; V209-W230 HydrophobicContact CB-CE3 3.93Å; V209-W230 HydrophobicContact CG2-CE3 3.87Å; V209-W230 HydrophobicContact CG2-CZ3 4.15Å; V209-W230 PolarHBondContact N-O 3.17Å; V209-W230 PolarHBondContact O-N 3.41Å; W230-P232 HydrophobicContact CD2-CG 4.23Å; W230-P232 HydrophobicContact CE3-CG 3.88Å; W230-P232 HydrophobicContact CH2-CB 3.63Å; W230-P232 HydrophobicContact CH2-CG 3.67Å; W230-P232 HydrophobicContact CZ2-CB 3.83Å; W230-P232 HydrophobicContact CZ2-CG 4.1Å; W230-P232 HydrophobicContact CZ3-CB 4.11Å; W230-P232 HydrophobicContact CZ3-CG 3.59Å; W230-P232 WeakPolarHBondContact O-CD 3.21Å; W230-S236 WeakPolarHBondContact CA-O 3.49Å; W230-F237 HydrophobicContact CB-CD1 3.81Å; W230-F237 HydrophobicContact CB-CE1 3.57Å; W230-F237 HydrophobicContact CB-CZ 4.39Å; W230-F237 AromaticContact CD1-CE1 3.77Å; W230-F237 AromaticContact CD1-CZ 3.82Å; W230-F237 HydrophobicContact CG-CD1 4.24Å; W230-F237 AromaticContact CG-CE1 3.79Å; W230-F237 HydrophobicContact CG-CE1 3.79Å; W230-F237 HydrophobicContact CG-CZ 4.13Å
231S92Very high82.9Confident4 Ų432.8 Ų32.83%0.02817%0.165CC..EExtended strand (participates in β ladder)trans-105.7104.5169.8-178.30000109.1R233 H234 D235 S236S231-R233 VanDerWaalsContact C-N 3.28Å; S231-R233 PolarHBondContact O-N 2.95Å; S231-H234 PolarHBondContact O-N 3Å; S231-H234 PolarHBondContact OG-CD2 2.96Å; S231-H234 VanDerWaalsContact OG-CD2 3.29Å; S231-D235 WeakPolarHBondContact O-CA 3.42Å; S231-D235 PolarHBondContact O-N 3.5Å; S231-S236 PolarHBondContact N-O 2.96Å; S231-S236 PolarHBondContact O-N 3.35Å
232P88.4Confident84.1Confident28 Ų2831.3 Ų31.318%0.18216%0.157CC..THydrogen-bonded Turntrans-55.8-39.1176.2-20.626.4000113.6L146 D207 V209 W230L146-P232 HydrophobicContact CD1-CB 3.63Å; L146-P232 HydrophobicContact CD1-CG 3.96Å; D207-P232 VanDerWaalsContact O-CD 3.25Å; D207-P232 WeakPolarHBondContact O-CD 3.28Å; V209-P232 HydrophobicContact CG2-CG 4.4Å; W230-P232 HydrophobicContact CD2-CG 4.23Å; W230-P232 HydrophobicContact CE3-CG 3.88Å; W230-P232 HydrophobicContact CH2-CB 3.63Å; W230-P232 HydrophobicContact CH2-CG 3.67Å; W230-P232 HydrophobicContact CZ2-CB 3.83Å; W230-P232 HydrophobicContact CZ2-CG 4.1Å; W230-P232 HydrophobicContact CZ3-CB 4.11Å; W230-P232 HydrophobicContact CZ3-CG 3.59Å; W230-P232 WeakPolarHBondContact O-CD 3.21Å
233R86Confident84.8Confident178 Ų17829.5 Ų29.567%0.67215%0.145SC*.THydrogen-bonded Turntrans-67.8-38-178.3-66.1-172.5-178.5-158.14.4112.8D207 S231D207-R233 IonicContact OD1-CZ 3.14Å; D207-R233 VanDerWaalsContact OD1-CZ 3.29Å; D207-R233 IonicContact OD1-NE 3.92Å; D207-R233 PolarHBondContact OD1-NE 2.86Å; D207-R233 VanDerWaalsContact OD1-NE 3.11Å; D207-R233 IonicContact OD1-NH2 3.65Å; D207-R233 PolarHBondContact OD1-NH2 3.23Å; D207-R233 IonicContact OD2-CZ 3.84Å; D207-R233 IonicContact OD2-NE 2.72Å; D207-R233 PolarHBondContact OD2-NE 2.97Å; D207-R233 IonicContact OD2-NH1 2.65Å; D207-R233 IonicContact OD2-NH2 2.76Å; D207-R233 PolarHBondContact OD2-NH2 3.13Å; S231-R233 VanDerWaalsContact C-N 3.28Å; S231-R233 PolarHBondContact O-N 2.95Å
234H85.9Confident85.4Confident126 Ų12631.9 Ų31.958%0.58315%0.154SC*.THydrogen-bonded Turntrans-98.8-0.7-177.7-62-57.6000113.4S231 S236S231-H234 PolarHBondContact O-N 3Å; S231-H234 PolarHBondContact OG-CD2 2.96Å; S231-H234 VanDerWaalsContact OG-CD2 3.29Å; H234-S236 VanDerWaalsContact C-N 3.27Å; H234-S236 PolarHBondContact O-N 2.93Å
235D87.3Confident86.3Confident76 Ų7633.2 Ų33.241%0.40616%0.159SC..THydrogen-bonded Turntrans41.655-175.1-159.741.5000112.3S231 A253S231-D235 WeakPolarHBondContact O-CA 3.42Å; S231-D235 PolarHBondContact O-N 3.5Å; D235-A253 VanDerWaalsContact O-CB 3.29Å; D235-A253 WeakPolarHBondContact O-CB 3.36Å; D235-A253 PolarHBondContact O-N 3.49Å; D235-A253 WeakPolarHBondContact OD1-CB 3.49Å
236S90.6Very high86.6Confident10 Ų1031.8 Ų31.87%0.0716%0.156CC..EExtended strand (participates in β ladder)trans-139148.3-175.260.80000112.2W230 S231 H234 L251W230-S236 WeakPolarHBondContact CA-O 3.49Å; S231-S236 PolarHBondContact N-O 2.96Å; S231-S236 PolarHBondContact O-N 3.35Å; H234-S236 VanDerWaalsContact C-N 3.27Å; H234-S236 PolarHBondContact O-N 2.93Å; S236-L251 CarbonylContact C-O 3.56Å; S236-L251 WeakPolarHBondContact CA-O 3.27Å; S236-L251 WeakPolarHBondContact CB-O 3.09Å
237F91.1Very high86.6Confident1 Ų132.8 Ų32.80%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-108137.6173.4-75.2-75.1000110.5I193 L194 L211 L228 T229 W230 K250 L251 A253 L261I193-F237 HydrophobicContact CG2-CE2 4.05Å; I193-F237 HydrophobicContact CG2-CZ 3.55Å; L194-F237 HydrophobicContact CB-CZ 4.18Å; L194-F237 HydrophobicContact CD1-CE2 4.32Å; L194-F237 HydrophobicContact CD1-CZ 4.36Å; L194-F237 HydrophobicContact CD2-CE1 4.23Å; L194-F237 HydrophobicContact CD2-CZ 4.18Å; L194-F237 HydrophobicContact CG-CZ 4.49Å; L211-F237 HydrophobicContact CD1-CE1 4.2Å; L228-F237 HydrophobicContact CB-CD1 4.42Å; T229-F237 CarbonylContact O-C 3.48Å; T229-F237 WeakPolarHBondContact O-CA 3.44Å; W230-F237 HydrophobicContact CB-CD1 3.81Å; W230-F237 HydrophobicContact CB-CE1 3.57Å; W230-F237 HydrophobicContact CB-CZ 4.39Å; W230-F237 AromaticContact CD1-CE1 3.77Å; W230-F237 AromaticContact CD1-CZ 3.82Å; W230-F237 HydrophobicContact CG-CD1 4.24Å; W230-F237 AromaticContact CG-CE1 3.79Å; W230-F237 HydrophobicContact CG-CE1 3.79Å; W230-F237 HydrophobicContact CG-CZ 4.13Å; F237-K250 CarbonylContact O-C 3.55Å; F237-K250 WeakPolarHBondContact O-CA 3.42Å; F237-L251 PolarHBondContact N-O 3.07Å; F237-L251 PolarHBondContact O-N 3.28Å; F237-A253 HydrophobicContact CD2-CB 3.71Å; F237-A253 HydrophobicContact CE2-CB 3.59Å; F237-L261 HydrophobicContact CB-CD1 4.27Å; F237-L261 HydrophobicContact CB-CD2 4.34Å; F237-L261 HydrophobicContact CD2-CD1 4.4Å; F237-L261 HydrophobicContact CG-CD2 4.41Å
238T90.8Very high86.3Confident15 Ų1534 Ų349%0.09217%0.169CC..EExtended strand (participates in β ladder)trans-113.4126.2169.3-53.70000108.6L228 T229 P247L228-T238 CarbonylContact C-O 3.54Å; L228-T238 WeakPolarHBondContact CA-O 3.5Å; T229-T238 PolarHBondContact N-O 3.03Å; T229-T238 PolarHBondContact O-N 3.37Å; T238-P247 HydrophobicContact CG2-CB 3.48Å; T238-P247 VanDerWaalsContact CG2-CB 3.48Å; T238-P247 HydrophobicContact CG2-CG 4.39Å
239I90.1Very high86Confident0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-95.9124.7178.4-49177.6000108.6F226 L228 I248 K249 L251 L261F226-I239 HydrophobicContact CB-CG2 4.4Å; F226-I239 HydrophobicContact CD1-CG2 4Å; F226-I239 HydrophobicContact CG-CG2 4.29Å; L228-I239 HydrophobicContact CD2-CB 4.14Å; L228-I239 HydrophobicContact CD2-CG1 3.78Å; L228-I239 HydrophobicContact CD2-CG2 4.1Å; I239-I248 HydrophobicContact CB-CB 4.48Å; I239-I248 HydrophobicContact CG2-CD1 4.36Å; I239-I248 PolarHBondContact O-N 3.36Å; I239-K249 HydrophobicContact CD1-CB 4.28Å; I239-K249 PolarHBondContact N-O 3.2Å; I239-L251 HydrophobicContact CD1-CD1 3.98Å; I239-L261 HydrophobicContact CD1-CG 4.07Å; I239-L261 VanDerWaalsContact CD1-O 3.22Å; I239-L261 WeakPolarHBondContact CD1-O 3.33Å; I239-L261 HydrophobicContact CG1-CD2 4.47Å; I239-L261 HydrophobicContact CG1-CG 4.47Å
240S88.6Confident85.6Confident4 Ų443.4 Ų43.43%0.02821%0.209CC..EExtended strand (participates in β ladder)trans-132.3160.5-179-65.30000111.8F227F227-S240 PolarHBondContact N-O 2.94Å; F227-S240 VanDerWaalsContact N-O 3.09Å; F227-S240 PolarHBondContact O-N 3.5Å
241T87Confident85.2Confident3 Ų344.3 Ų44.32%0.01821%0.214CC..  trans-141.6155.6177-176.70000109.5C243 K244 I248T241-C243 VanDerWaalsContact C-N 3.26Å; T241-C243 HydrophobicContact CG2-CB 4.15Å; T241-C243 PolarHBondContact O-N 3.39Å; T241-K244 HydrophobicContact CG2-CB 3.98Å; T241-K244 HydrophobicContact CG2-CG 4.3Å; T241-I248 HydrophobicContact CG2-CD1 3.77Å; T241-I248 HydrophobicContact CG2-CG1 4.2Å
242T83.4Confident84.6Confident8 Ų846.9 Ų46.95%0.04923%0.232CC..THydrogen-bonded Turntrans-75.9-11.5177.453.90000113.3F227 P274 P275 I277 L292F227-T242 HydrophobicContact CE1-CG2 3.92Å; T242-P274 WeakPolarHBondContact OG1-CB 3.41Å; T242-P275 WeakPolarHBondContact OG1-CD 3.39Å; T242-P275 PolarHBondContact OG1-O 2.95Å; T242-I277 HydrophobicContact CG2-CD1 4.29Å; T242-I277 HydrophobicContact CG2-CG1 4.05Å; T242-L292 HydrophobicContact CG2-CD1 4.4Å; T242-L292 HydrophobicContact CG2-CD2 3.81Å
243C75.4Confident84.1Confident39 Ų3946 Ų4626%0.26423%0.227SC..THydrogen-bonded Turntrans-77.9-19.3176-73.40000114.9T241 L272 P274T241-C243 VanDerWaalsContact C-N 3.26Å; T241-C243 HydrophobicContact CG2-CB 4.15Å; T241-C243 PolarHBondContact O-N 3.39Å; C243-L272 HydrophobicContact CB-CB 4.46Å; C243-L272 HydrophobicContact CB-CD1 4.25Å; C243-P274 WeakPolarHBondContact SG-CA 3.26Å; C243-P274 WeakPolarHBondContact SG-CB 3.44Å
244K75.3Confident83.4Confident77 Ų7746.1 Ų46.134%0.33523%0.233SC..  trans-128.2139.9-172.9-75-170.6173.2-1760110.1T241 T246 Y268T241-K244 HydrophobicContact CG2-CB 3.98Å; T241-K244 HydrophobicContact CG2-CG 4.3Å; K244-T246 VanDerWaalsContact C-N 3.27Å; K244-T246 PolarHBondContact O-N 3.24Å; K244-Y268 VanDerWaalsContact NZ-CD1 3.31Å
245N79Confident82.2Confident48 Ų4844 Ų4426%0.25722%0.223SC..SBendtrans-78-15.2176.7-64.95000112.4M305 L306N245-M305 CarbonylContact O-C 3.6Å; N245-M305 VanDerWaalsContact O-CA 3.32Å; N245-M305 WeakPolarHBondContact O-CA 3.45Å; N245-L306 WeakPolarHBondContact CB-O 3.23Å; N245-L306 PolarHBondContact O-N 3.34Å
246T80.6Confident81.8Confident34 Ų3442.8 Ų42.821%0.20922%0.221CC..SBendtrans-108.1150.1178.964.30000110.9K244 M305K244-T246 VanDerWaalsContact C-N 3.27Å; K244-T246 PolarHBondContact O-N 3.24Å; T246-M305 HydrophobicContact CG2-CE 4.06Å; T246-M305 HydrophobicContact CG2-SD 3.73Å
247P82.4Confident81.6Confident22 Ų2244 Ų4414%0.14323%0.226CC..  trans-60.3147.1170.527.3-34.2000110T238T238-P247 HydrophobicContact CG2-CB 3.48Å; T238-P247 VanDerWaalsContact CG2-CB 3.48Å; T238-P247 HydrophobicContact CG2-CG 4.39Å
248I81.8Confident81.4Confident28 Ų2843.9 Ų43.914%0.14423%0.226CC..SBendtrans-76.4-45.6-179.7-59.4177.1000109.9F226 I239 T241 Y268F226-I248 HydrophobicContact CD1-CD1 3.75Å; F226-I248 HydrophobicContact CE1-CD1 3.33Å; F226-I248 HydrophobicContact CZ-CD1 4.45Å; I239-I248 HydrophobicContact CB-CB 4.48Å; I239-I248 HydrophobicContact CG2-CD1 4.36Å; I239-I248 PolarHBondContact O-N 3.36Å; T241-I248 HydrophobicContact CG2-CD1 3.77Å; T241-I248 HydrophobicContact CG2-CG1 4.2Å; I248-Y268 HydrophobicContact CG2-CD2 3.62Å; I248-Y268 HydrophobicContact CG2-CE2 3.7Å; I248-Y268 HydrophobicContact CG2-CG 4.45Å
249K83.3Confident81Confident68 Ų6848 Ų4830%0.29624%0.24SC..EExtended strand (participates in β ladder)trans-158.2146.1-176-156174.1-179.4-166.70109.7I239 L251 D264I239-K249 HydrophobicContact CD1-CB 4.28Å; I239-K249 PolarHBondContact N-O 3.2Å; K249-L251 HydrophobicContact CD-CD1 4.01Å; K249-L251 HydrophobicContact CD-CD2 3.99Å; K249-L251 HydrophobicContact CD-CG 4.02Å; K249-L251 HydrophobicContact CG-CD1 4.41Å; K249-L251 HydrophobicContact CG-CD2 4.28Å; K249-L251 HydrophobicContact CG-CG 4.05Å; K249-D264 IonicContact NZ-OD2 2.67Å; K249-D264 PolarHBondContact NZ-OD2 3.02Å
250K85.1Confident80.7Confident138 Ų13857 Ų5760%0.627%0.274SS*.EExtended strand (participates in β ladder)trans-115.6130.5166.7-170.3173.1-177.7175.80108.5F237F237-K250 CarbonylContact O-C 3.55Å; F237-K250 WeakPolarHBondContact O-CA 3.42Å
251L84.2Confident80.6Confident23 Ų2356.9 Ų56.912%0.1227%0.272CS..EExtended strand (participates in β ladder)trans-132.3152.8-171.5-71.9167.3000110S236 F237 I239 K249 L261S236-L251 CarbonylContact C-O 3.56Å; S236-L251 WeakPolarHBondContact CA-O 3.27Å; S236-L251 WeakPolarHBondContact CB-O 3.09Å; F237-L251 PolarHBondContact N-O 3.07Å; F237-L251 PolarHBondContact O-N 3.28Å; I239-L251 HydrophobicContact CD1-CD1 3.98Å; K249-L251 HydrophobicContact CD-CD1 4.01Å; K249-L251 HydrophobicContact CD-CD2 3.99Å; K249-L251 HydrophobicContact CD-CG 4.02Å; K249-L251 HydrophobicContact CG-CD1 4.41Å; K249-L251 HydrophobicContact CG-CD2 4.28Å; K249-L251 HydrophobicContact CG-CG 4.05Å; L251-L261 HydrophobicContact CB-CD1 4.08Å; L251-L261 HydrophobicContact CD1-CD1 3.42Å; L251-L261 VanDerWaalsContact CD1-CD1 3.42Å; L251-L261 HydrophobicContact CD1-CG 3.91Å; L251-L261 HydrophobicContact CG-CD1 4.4Å
252S80.9Confident80.5Confident58 Ų5857 Ų5741%0.40627%0.273SS..EExtended strand (participates in β ladder)trans-72.9142.4168.9176.30000109.9K254 E255S252-K254 PolarHBondContact O-N 3.29Å; S252-K254 VanDerWaalsContact O-N 3.11Å; S252-K254 PolarHBondContact OG-N 3.45Å; S252-E255 PolarHBondContact O-N 3Å
253A76.9Confident80.4Confident9 Ų959 Ų597%0.07429%0.29CS..THydrogen-bonded Turntrans-73.15.117800000114.1D235 F237 E255D235-A253 VanDerWaalsContact O-CB 3.29Å; D235-A253 WeakPolarHBondContact O-CB 3.36Å; D235-A253 PolarHBondContact O-N 3.49Å; D235-A253 WeakPolarHBondContact OD1-CB 3.49Å; F237-A253 HydrophobicContact CD2-CB 3.71Å; F237-A253 HydrophobicContact CE2-CB 3.59Å; A253-E255 PolarHBondContact O-N 3.48Å
254K70.7Confident80.5Confident181 Ų18162.4 Ų62.479%0.78731%0.306SS*.THydrogen-bonded Turntrans-58.8-26.8164.8-67.7-177.6-173.8-176.70112.3S252 S256S252-K254 PolarHBondContact O-N 3.29Å; S252-K254 VanDerWaalsContact O-N 3.11Å; S252-K254 PolarHBondContact OG-N 3.45Å; K254-S256 PolarHBondContact O-N 3.44Å
255E62.8Low80.6Confident82 Ų8258.8 Ų58.838%0.38329%0.29SS..  trans-79.193169.8-71.3-179.7-174.400110S252 A253 D257 L261S252-E255 PolarHBondContact O-N 3Å; A253-E255 PolarHBondContact O-N 3.48Å; E255-D257 VanDerWaalsContact C-N 3.32Å; E255-D257 PolarHBondContact O-N 2.98Å; E255-L261 HydrophobicContact CB-CD1 4.34Å
256S76.8Confident80.5Confident51 Ų5160.2 Ų60.236%0.35730%0.297SS..  trans-86.67.8-178.562.60000114.2L194 H195 K254L194-S256 CarbonylContact C-O 3.59Å; L194-S256 WeakPolarHBondContact CA-O 3.49Å; H195-S256 WeakPolarHBondContact CB-O 3.33Å; H195-S256 PolarHBondContact CD2-O 3.48Å; H195-S256 PolarHBondContact N-O 2.87Å; K254-S256 PolarHBondContact O-N 3.44Å
257D86.8Confident80Confident34 Ų3461.2 Ų61.218%0.18231%0.314CS..BIsolated β-bridgetrans-113.9117.7178.6-167.6-38.4000111.5N196 E255 R259 R260 L261N196-D257 PolarHBondContact ND2-OD2 3.26Å; E255-D257 VanDerWaalsContact C-N 3.32Å; E255-D257 PolarHBondContact O-N 2.98Å; D257-R259 VanDerWaalsContact C-N 3.26Å; D257-R259 PolarHBondContact O-N 3.44Å; D257-R259 WeakPolarHBondContact OD1-CB 3.41Å; D257-R259 PolarHBondContact OD1-N 3.3Å; D257-R260 HydrophobicContact CB-CB 4.34Å; D257-R260 HydrophobicContact CB-CG 4.18Å; D257-R260 PolarHBondContact O-N 3.45Å; D257-R260 VanDerWaalsContact O-N 3.14Å; D257-L261 PolarHBondContact O-N 2.84Å
258F86.9Confident79.2Confident0 Ų065.5 Ų65.50%033%0.329CS..Hα-helixtrans-54-40.2178.9176-104.4000112.9L169 L194 H195 N197 P198 F200 I223 L228 R260 L261 I262L169-F258 HydrophobicContact CD2-CD1 4.22Å; L169-F258 HydrophobicContact CD2-CE1 4.2Å; L194-F258 HydrophobicContact CD1-CB 4.46Å; L194-F258 HydrophobicContact CD2-CB 4.44Å; L194-F258 HydrophobicContact CD2-CD2 4.33Å; L194-F258 HydrophobicContact CG-CB 4.27Å; H195-F258 VanDerWaalsContact O-CB 3.28Å; H195-F258 WeakPolarHBondContact O-CB 3.49Å; H195-F258 PolarHBondContact O-N 3.13Å; N197-F258 WeakPolarHBondContact OD1-CB 3.46Å; P198-F258 HydrophobicContact CG-CE1 4.25Å; P198-F258 HydrophobicContact CG-CZ 4.11Å; F200-F258 HydrophobicContact CE2-CD2 4.33Å; F200-F258 HydrophobicContact CE2-CE2 4.23Å; F200-F258 HydrophobicContact CZ-CD2 4.37Å; F200-F258 AromaticContact CZ-CE2 3.83Å; F200-F258 HydrophobicContact CZ-CE2 3.83Å; F200-F258 HydrophobicContact CZ-CZ 4.36Å; I223-F258 HydrophobicContact CB-CE1 4.28Å; I223-F258 HydrophobicContact CB-CZ 4.47Å; I223-F258 HydrophobicContact CD1-CE1 4.37Å; I223-F258 HydrophobicContact CG1-CE1 4.46Å; L228-F258 HydrophobicContact CD1-CD2 4.03Å; L228-F258 HydrophobicContact CD1-CE2 4.11Å; F258-R260 VanDerWaalsContact C-N 3.3Å; F258-R260 PolarHBondContact O-N 3.35Å; F258-L261 WeakPolarHBondContact O-CB 3.43Å; F258-L261 PolarHBondContact O-N 2.85Å; F258-I262 HydrophobicContact CD1-CD1 4.18Å; F258-I262 HydrophobicContact CD2-CG2 4.15Å; F258-I262 HydrophobicContact CE1-CD1 3.46Å; F258-I262 VanDerWaalsContact CE1-CD1 3.46Å; F258-I262 HydrophobicContact CE1-CG1 4.23Å; F258-I262 HydrophobicContact CE1-CG2 4.49Å; F258-I262 HydrophobicContact CE2-CD1 4.49Å; F258-I262 HydrophobicContact CE2-CG2 3.66Å; F258-I262 HydrophobicContact CZ-CD1 3.66Å; F258-I262 HydrophobicContact CZ-CG1 4.39Å; F258-I262 HydrophobicContact CZ-CG2 3.87Å; F258-I262 WeakPolarHBondContact O-CG1 3.24Å; F258-I262 PolarHBondContact O-N 3.25Å
259R83.8Confident78.3Confident101 Ų10164.9 Ų64.938%0.38133%0.325SS..Hα-helixtrans-64.4-38.9-177.7-65.4-177.5179.2-158.6-1.4111.6L169 N196 D257 A263L169-R259 HydrophobicContact CD1-CG 4.04Å; N196-R259 HydrophobicContact CB-CG 4.47Å; D257-R259 VanDerWaalsContact C-N 3.26Å; D257-R259 PolarHBondContact O-N 3.44Å; D257-R259 WeakPolarHBondContact OD1-CB 3.41Å; D257-R259 PolarHBondContact OD1-N 3.3Å; R259-A263 WeakPolarHBondContact O-CB 3.41Å; R259-A263 PolarHBondContact O-N 3.15Å
260R84.1Confident77.2Confident190 Ų19066.6 Ų66.672%0.71735%0.346SS*.Hα-helixtrans-69.8-43.1175.9-66.2-176.1178.1172.3-0.9110.4D257 F258 I262 A263D257-R260 HydrophobicContact CB-CB 4.34Å; D257-R260 HydrophobicContact CB-CG 4.18Å; D257-R260 PolarHBondContact O-N 3.45Å; D257-R260 VanDerWaalsContact O-N 3.14Å; F258-R260 VanDerWaalsContact C-N 3.3Å; F258-R260 PolarHBondContact O-N 3.35Å; R260-I262 VanDerWaalsContact C-N 3.28Å; R260-I262 PolarHBondContact O-N 3.21Å; R260-A263 PolarHBondContact O-N 3.29Å
261L85.1Confident75.9Confident0 Ų064 Ų640%035%0.35CS..Hα-helixtrans-54.4-43.4179-163.381.4000112L194 L228 F237 I239 L251 E255 D257 F258L194-L261 HydrophobicContact CD1-CD2 4.5Å; L228-L261 HydrophobicContact CD1-CD2 3.71Å; L228-L261 HydrophobicContact CD2-CD2 3.82Å; L228-L261 HydrophobicContact CG-CD2 4.43Å; F237-L261 HydrophobicContact CB-CD1 4.27Å; F237-L261 HydrophobicContact CB-CD2 4.34Å; F237-L261 HydrophobicContact CD2-CD1 4.4Å; F237-L261 HydrophobicContact CG-CD2 4.41Å; I239-L261 HydrophobicContact CD1-CG 4.07Å; I239-L261 VanDerWaalsContact CD1-O 3.22Å; I239-L261 WeakPolarHBondContact CD1-O 3.33Å; I239-L261 HydrophobicContact CG1-CD2 4.47Å; I239-L261 HydrophobicContact CG1-CG 4.47Å; L251-L261 HydrophobicContact CB-CD1 4.08Å; L251-L261 HydrophobicContact CD1-CD1 3.42Å; L251-L261 VanDerWaalsContact CD1-CD1 3.42Å; L251-L261 HydrophobicContact CD1-CG 3.91Å; L251-L261 HydrophobicContact CG-CD1 4.4Å; E255-L261 HydrophobicContact CB-CD1 4.34Å; D257-L261 PolarHBondContact O-N 2.84Å; F258-L261 WeakPolarHBondContact O-CB 3.43Å; F258-L261 PolarHBondContact O-N 2.85Å
262I84.3Confident75Confident5 Ų567.7 Ų67.73%0.02637%0.37CS..Hα-helixtrans-95.6-8.5-175.869.9166.1000115.1I223 F226 F258 R260 D264 S265 L266I223-I262 HydrophobicContact CB-CD1 3.65Å; I223-I262 HydrophobicContact CG2-CD1 3.46Å; I223-I262 VanDerWaalsContact CG2-CD1 3.46Å; F226-I262 HydrophobicContact CD2-CG2 4.4Å; F258-I262 HydrophobicContact CD1-CD1 4.18Å; F258-I262 HydrophobicContact CD2-CG2 4.15Å; F258-I262 HydrophobicContact CE1-CD1 3.46Å; F258-I262 VanDerWaalsContact CE1-CD1 3.46Å; F258-I262 HydrophobicContact CE1-CG1 4.23Å; F258-I262 HydrophobicContact CE1-CG2 4.49Å; F258-I262 HydrophobicContact CE2-CD1 4.49Å; F258-I262 HydrophobicContact CE2-CG2 3.66Å; F258-I262 HydrophobicContact CZ-CD1 3.66Å; F258-I262 HydrophobicContact CZ-CG1 4.39Å; F258-I262 HydrophobicContact CZ-CG2 3.87Å; F258-I262 WeakPolarHBondContact O-CG1 3.24Å; F258-I262 PolarHBondContact O-N 3.25Å; R260-I262 VanDerWaalsContact C-N 3.28Å; R260-I262 PolarHBondContact O-N 3.21Å; I262-D264 PolarHBondContact O-N 2.61Å; I262-S265 WeakPolarHBondContact O-CA 3.32Å; I262-S265 WeakPolarHBondContact O-CB 3.43Å; I262-S265 PolarHBondContact O-N 3.21Å; I262-L266 HydrophobicContact CD1-CD2 4.02Å; I262-L266 HydrophobicContact CG1-CD2 4.5Å; I262-L266 PolarHBondContact O-N 3.46Å
263A82.3Confident74.5Confident50 Ų5072.8 Ų72.841%0.41339%0.387SS..Hα-helixtrans-53.8-49-170.200000112.7R259 R260 S265R259-A263 WeakPolarHBondContact O-CB 3.41Å; R259-A263 PolarHBondContact O-N 3.15Å; R260-A263 PolarHBondContact O-N 3.29Å; A263-S265 PolarHBondContact O-N 3.15Å
264D77.4Confident74.4Confident112 Ų11272.7 Ų72.760%0.59939%0.386SS*.THydrogen-bonded Turntrans-69.7-16178.9-55.8-22.2000113.1K249 I262K249-D264 IonicContact NZ-OD2 2.67Å; K249-D264 PolarHBondContact NZ-OD2 3.02Å; I262-D264 PolarHBondContact O-N 2.61Å
265S77.8Confident74.8Confident1 Ų165.6 Ų65.61%0.00736%0.358CS..THydrogen-bonded Turntrans-96.8-13.5-173.6-58.80000113.3F226 I262 A263 G267 Y268F226-S265 WeakPolarHBondContact CZ-O 3.41Å; I262-S265 WeakPolarHBondContact O-CA 3.32Å; I262-S265 WeakPolarHBondContact O-CB 3.43Å; I262-S265 PolarHBondContact O-N 3.21Å; A263-S265 PolarHBondContact O-N 3.15Å; S265-G267 PolarHBondContact O-N 2.94Å; S265-Y268 WeakPolarHBondContact O-CB 3.28Å; S265-Y268 WeakPolarHBondContact O-CD2 3.46Å; S265-Y268 PolarHBondContact O-N 3.31Å; S265-Y268 VanDerWaalsContact O-N 3.08Å
266L75.9Confident75.7Confident77 Ų7768.1 Ų68.140%0.40337%0.37SS..G310 helixtrans-59.2-34.5-176.4-69.5171.8000113.1I223 F226 I262 Y268 L269I223-L266 HydrophobicContact CG2-CD2 3.65Å; F226-L266 HydrophobicContact CE2-CD2 4.33Å; I262-L266 HydrophobicContact CD1-CD2 4.02Å; I262-L266 HydrophobicContact CG1-CD2 4.5Å; I262-L266 PolarHBondContact O-N 3.46Å; L266-Y268 PolarHBondContact O-N 2.66Å; L266-L269 PolarHBondContact O-N 3.4Å
267G70.8Confident76Confident55 Ų5566.6 Ų66.657%0.56736%0.358SS*.G310 helixtrans-63.8-17178.300000114.4S265 S270S265-G267 PolarHBondContact O-N 2.94Å; G267-S270 PolarHBondContact O-OG 3.19Å
268Y66.4Low75.8Confident113 Ų11366.9 Ų66.944%0.44336%0.362SS..G310 helixtrans-78.5-23.2178.1-66.8-68.7000113.7K244 I248 S265 L266K244-Y268 VanDerWaalsContact NZ-CD1 3.31Å; I248-Y268 HydrophobicContact CG2-CD2 3.62Å; I248-Y268 HydrophobicContact CG2-CE2 3.7Å; I248-Y268 HydrophobicContact CG2-CG 4.45Å; S265-Y268 WeakPolarHBondContact O-CB 3.28Å; S265-Y268 WeakPolarHBondContact O-CD2 3.46Å; S265-Y268 PolarHBondContact O-N 3.31Å; S265-Y268 VanDerWaalsContact O-N 3.08Å; L266-Y268 PolarHBondContact O-N 2.66Å
269L62.3Low75.8Confident14 Ų1467.7 Ų67.77%0.07337%0.367CS..THydrogen-bonded Turntrans-93.9-10.8-177.4-69.1-178.1000113.8C222 K225 F226 L266 A271 L272 P274C222-L269 WeakPolarHBondContact O-CD1 3.25Å; K225-L269 HydrophobicContact CB-CD1 3.91Å; F226-L269 HydrophobicContact CD1-CD1 4.11Å; F226-L269 HydrophobicContact CD2-CD1 3.78Å; F226-L269 HydrophobicContact CE1-CD1 3.6Å; F226-L269 HydrophobicContact CE1-CD2 4.06Å; F226-L269 HydrophobicContact CE1-CG 3.64Å; F226-L269 HydrophobicContact CE2-CD1 3.26Å; F226-L269 HydrophobicContact CE2-CG 4.01Å; F226-L269 HydrophobicContact CG-CD1 4.19Å; F226-L269 HydrophobicContact CZ-CB 4.47Å; F226-L269 HydrophobicContact CZ-CD1 3.17Å; F226-L269 HydrophobicContact CZ-CD2 4.29Å; F226-L269 HydrophobicContact CZ-CG 3.37Å; L266-L269 PolarHBondContact O-N 3.4Å; L269-A271 PolarHBondContact O-N 3.07Å; L269-L272 VanDerWaalsContact O-O 3.13Å; L269-P274 HydrophobicContact CD2-CG 4.06Å
270S59.9Low76.1Confident104 Ų10465.4 Ų65.473%0.72736%0.36SS*.SBendtrans-70.8-20.4178.253.20000113.1G267G267-S270 PolarHBondContact O-OG 3.19Å
271A58.3Low76.3Confident83 Ų8356.8 Ų56.869%0.68633%0.329SS*.SBendtrans-95.3-19.8-17700000114.6L269L269-A271 PolarHBondContact O-N 3.07Å
272L64.6Low76.6Confident101 Ų10158.8 Ų58.853%0.52934%0.342SS..  trans-142.7135.2-172.3-68.6170.8000110.5C243 L269 P274C243-L272 HydrophobicContact CB-CB 4.46Å; C243-L272 HydrophobicContact CB-CD1 4.25Å; L269-L272 VanDerWaalsContact O-O 3.13Å; L272-P274 WeakPolarHBondContact O-CD 3.29Å
273E70.3Confident76.7Confident165 Ų16559.4 Ų59.477%0.77135%0.346SS*.  trans-88.5107.2172.1177.3142-122.900110.3K225K225-E273 IonicContact NZ-OE1 3.79Å; K225-E273 PolarHBondContact NZ-OE1 3.21Å
274P75.1Confident76.6Confident8 Ų858.7 Ų58.75%0.05234%0.344CS..PPolyproline II helixtrans-67.2138-179.317.7-27.6000112.5K225 T242 C243 L269 L272K225-P274 HydrophobicContact CB-CG 3.48Å; K225-P274 VanDerWaalsContact CB-CG 3.48Å; K225-P274 HydrophobicContact CD-CG 3.49Å; K225-P274 VanDerWaalsContact CD-CG 3.49Å; K225-P274 HydrophobicContact CG-CG 3.68Å; T242-P274 WeakPolarHBondContact OG1-CB 3.41Å; C243-P274 WeakPolarHBondContact SG-CA 3.26Å; C243-P274 WeakPolarHBondContact SG-CB 3.44Å; L269-P274 HydrophobicContact CD2-CG 4.06Å; L272-P274 WeakPolarHBondContact O-CD 3.29Å
275P79.9Confident76.8Confident31 Ų3156.9 Ų56.920%0.20134%0.339CS..PPolyproline II helixtrans-62.3144.9172.428-37000111.1T242 L292 N293 T294T242-P275 WeakPolarHBondContact OG1-CD 3.39Å; T242-P275 PolarHBondContact OG1-O 2.95Å; P275-L292 HydrophobicContact CB-CB 4.32Å; P275-L292 HydrophobicContact CB-CD1 4.22Å; P275-L292 HydrophobicContact CG-CD1 3.66Å; P275-N293 VanDerWaalsContact CB-OD1 3.3Å; P275-N293 WeakPolarHBondContact CB-OD1 3.36Å; P275-T294 HydrophobicContact CB-CG2 3.81Å
276E80.5Confident77.1Confident136 Ų13656.9 Ų56.964%0.63634%0.339SS*.PPolyproline II helixtrans-76144.6-178.9-62.3-179160.900110.9L292 N293E276-L292 CarbonylContact O-C 3.57Å; E276-L292 VanDerWaalsContact O-CA 3.25Å; E276-L292 WeakPolarHBondContact O-CA 3.46Å; E276-N293 HydrophobicContact CB-CB 4.31Å; E276-N293 PolarHBondContact N-ND2 2.96Å; E276-N293 PolarHBondContact N-OD1 3.34Å; E276-N293 PolarHBondContact O-N 2.93Å
277I84.7Confident77.8Confident19 Ų1953.3 Ų53.310%0.09732%0.321CS..EExtended strand (participates in β ladder)trans-82.7119.1173.4-60.2168.6000107.9L212 L215 F227 T242 L290 L292L212-I277 HydrophobicContact CD2-CD1 4.03Å; L215-I277 HydrophobicContact CD1-CG2 4.45Å; L215-I277 HydrophobicContact CD2-CB 3.81Å; L215-I277 HydrophobicContact CD2-CG2 4.04Å; L215-I277 WeakPolarHBondContact CD2-O 3.3Å; F227-I277 HydrophobicContact CD1-CD1 4.36Å; T242-I277 HydrophobicContact CG2-CD1 4.29Å; T242-I277 HydrophobicContact CG2-CG1 4.05Å; I277-L290 HydrophobicContact CD1-CD1 4.35Å; I277-L290 HydrophobicContact CD1-CD2 4.22Å; I277-L290 HydrophobicContact CG2-CD2 4.05Å; I277-L292 HydrophobicContact CB-CD2 4.43Å; I277-L292 HydrophobicContact CG1-CD2 3.81Å
278C82.3Confident78.8Confident40 Ų4050.7 Ų50.727%0.2729%0.294SS..EExtended strand (participates in β ladder)trans-89.7-38.2177.9-65.80000112.6L291 N293C278-L291 HydrophobicContact CB-CD2 4.47Å; C278-L291 HydrophobicContact CB-CG 4.46Å; C278-L291 PolarHBondContact N-O 3.29Å; C278-N293 WeakPolarHBondContact SG-CA 3.5Å; C278-N293 PolarHBondContact SG-N 3.42Å; C278-N293 VanDerWaalsContact SG-N 3.4Å
279S85.6Confident80.1Confident16 Ų1645.3 Ų45.311%0.11227%0.273CS..EExtended strand (participates in β ladder)trans-153158-177-167.10000110.2L291S279-L291 PolarHBondContact N-O 2.96Å; S279-L291 PolarHBondContact O-N 2.95Å
280F89.8Confident81.5Confident54 Ų5444.7 Ų44.724%0.23727%0.27CS..EExtended strand (participates in β ladder)trans-146160.5178.962.4-96.1000111.3T201 I203 L212 L215 L288 L289 L290T201-F280 HydrophobicContact CG2-CZ 4.05Å; I203-F280 HydrophobicContact CD1-CD1 4.27Å; I203-F280 HydrophobicContact CD1-CD2 3.47Å; I203-F280 VanDerWaalsContact CD1-CD2 3.47Å; I203-F280 HydrophobicContact CD1-CE1 4.06Å; I203-F280 HydrophobicContact CD1-CE2 3.23Å; I203-F280 HydrophobicContact CD1-CG 4Å; I203-F280 HydrophobicContact CD1-CZ 3.55Å; I203-F280 HydrophobicContact CG1-CD2 4.17Å; I203-F280 HydrophobicContact CG1-CE2 3.55Å; I203-F280 HydrophobicContact CG1-CZ 3.96Å; I203-F280 HydrophobicContact CG2-CE2 4.35Å; L212-F280 HydrophobicContact CD1-CB 4Å; L212-F280 HydrophobicContact CD1-CD1 3.57Å; L212-F280 HydrophobicContact CD1-CD2 4.46Å; L212-F280 HydrophobicContact CD1-CE1 4.15Å; L212-F280 HydrophobicContact CD1-CG 3.75Å; L215-F280 HydrophobicContact CD1-CD1 3.88Å; L215-F280 HydrophobicContact CD1-CE1 3.87Å; F280-L288 HydrophobicContact CB-CD1 4.5Å; F280-L288 HydrophobicContact CD2-CD1 4.38Å; F280-L289 CarbonylContact C-O 3.49Å; F280-L289 WeakPolarHBondContact CA-O 3.23Å; F280-L289 WeakPolarHBondContact CB-O 3.4Å; F280-L290 HydrophobicContact CB-CD2 3.84Å
281S90.1Very high82.9Confident8 Ų839.7 Ų39.76%0.05624%0.235CC..EExtended strand (participates in β ladder)trans-149.8130.1173.6-161.40000111.5L289 L326 C327S281-L289 PolarHBondContact N-O 2.94Å; S281-L289 PolarHBondContact O-N 2.95Å; S281-L326 VanDerWaalsContact CB-O 3.22Å; S281-L326 WeakPolarHBondContact CB-O 3.46Å; S281-L326 PolarHBondContact OG-O 2.85Å; S281-C327 WeakPolarHBondContact OG-CA 3.43Å
282P89.7Confident84.3Confident43 Ų4335.8 Ų35.828%0.27920%0.202SC..EExtended strand (participates in β ladder)trans-67.4138.8174.129.4-33.5000110.5I203 S204I203-P282 HydrophobicContact CG2-CB 4.23Å; S204-P282 VanDerWaalsContact O-CB 3.31Å; S204-P282 WeakPolarHBondContact O-CB 3.39Å
283T87.1Confident85.2Confident17 Ų1733.2 Ų33.210%0.10419%0.189CC..  trans-82.1-20.2176.961.10000113S205 C285 G287 L289 L299 F328S205-T283 PolarHBondContact OG-N 3.25Å; S205-T283 PolarHBondContact OG-OG1 3.4Å; T283-C285 PolarHBondContact O-N 2.96Å; T283-C285 PolarHBondContact OG1-N 2.84Å; T283-C285 PolarHBondContact OG1-SG 3.02Å; T283-G287 WeakPolarHBondContact CB-O 3.32Å; T283-G287 WeakPolarHBondContact CG2-O 3.28Å; T283-G287 PolarHBondContact N-O 3.18Å; T283-G287 VanDerWaalsContact N-O 3.09Å; T283-G287 VanDerWaalsContact OG1-CA 3.32Å; T283-G287 WeakPolarHBondContact OG1-CA 3.44Å; T283-G287 PolarHBondContact OG1-N 3.45Å; T283-G287 VanDerWaalsContact OG1-N 3.11Å; T283-G287 PolarHBondContact OG1-O 2.96Å; T283-L289 HydrophobicContact CG2-CG 4.39Å; T283-L299 HydrophobicContact CG2-CD1 3.68Å; T283-F328 VanDerWaalsContact CA-CD1 3.5Å; T283-F328 HydrophobicContact CG2-CB 4.34Å; T283-F328 HydrophobicContact CG2-CD1 3.97Å; T283-F328 HydrophobicContact CG2-CD2 4.28Å; T283-F328 HydrophobicContact CG2-CE1 4.31Å; T283-F328 HydrophobicContact CG2-CG 3.93Å; T283-F328 WeakPolarHBondContact O-CD1 3.49Å
284G79.8Confident85.9Confident36 Ų3628.5 Ų28.537%0.37117%0.172SC..SBendtrans82.7-8.6-175.400000114.2S205 G206S205-G284 PolarHBondContact OG-N 3.28Å; S205-G284 VanDerWaalsContact OG-N 3.1Å; G206-G284 VanDerWaalsContact CA-O 3.29Å; G206-G284 WeakPolarHBondContact CA-O 3.35Å; G206-G284 PolarHBondContact N-O 2.92Å
285C81.3Confident86.4Confident74 Ų7428.1 Ų28.150%0.517%0.169SC..SBendtrans-123.153.7175.157.90000110.2T283 G287 E302T283-C285 PolarHBondContact O-N 2.96Å; T283-C285 PolarHBondContact OG1-N 2.84Å; T283-C285 PolarHBondContact OG1-SG 3.02Å; C285-G287 PolarHBondContact O-N 3.41Å; C285-E302 VanDerWaalsContact O-CG 3.28Å; C285-E302 WeakPolarHBondContact O-CG 3.47Å
286G84.8Confident86.8Confident0 Ų029.3 Ų29.30%017%0.17CC..SBendtrans74.2-14171.900000117.4S205 Y208 H210S205-G286 WeakPolarHBondContact O-CA 3.48Å; S205-G286 PolarHBondContact O-N 3.37Å; Y208-G286 VanDerWaalsContact CD2-CA 3.44Å; H210-G286 PolarHBondContact CE1-O 2.6Å; H210-G286 PolarHBondContact NE2-O 2.9Å
287G90.2Very high87.4Confident3 Ų322.8 Ų22.83%0.03114%0.139CC..  trans-98170.517800000114.5S205 T283 C285 L300S205-G287 WeakPolarHBondContact CB-O 3.23Å; S205-G287 PolarHBondContact OG-O 3.07Å; T283-G287 WeakPolarHBondContact CB-O 3.32Å; T283-G287 WeakPolarHBondContact CG2-O 3.28Å; T283-G287 PolarHBondContact N-O 3.18Å; T283-G287 VanDerWaalsContact N-O 3.09Å; T283-G287 VanDerWaalsContact OG1-CA 3.32Å; T283-G287 WeakPolarHBondContact OG1-CA 3.44Å; T283-G287 PolarHBondContact OG1-N 3.45Å; T283-G287 VanDerWaalsContact OG1-N 3.11Å; T283-G287 PolarHBondContact OG1-O 2.96Å; C285-G287 PolarHBondContact O-N 3.41Å; G287-L300 CarbonylContact C-O 3.51Å; G287-L300 WeakPolarHBondContact CA-O 3.43Å
288L92.4Very high87.7Confident0 Ų023 Ų230%014%0.139CC..EExtended strand (participates in β ladder)trans-135.7129.8-179.8-167.570.2000110.6I203 H210 L212 F280 L290 L300I203-L288 HydrophobicContact CG2-CD1 3.99Å; H210-L288 HydrophobicContact CB-CD2 4.07Å; L212-L288 HydrophobicContact CD1-CD2 4.01Å; L212-L288 HydrophobicContact CD2-CD2 4.14Å; L212-L288 HydrophobicContact CG-CD2 4.22Å; F280-L288 HydrophobicContact CB-CD1 4.5Å; F280-L288 HydrophobicContact CD2-CD1 4.38Å; L288-L290 HydrophobicContact CD2-CD2 3.64Å; L288-L290 HydrophobicContact CD2-CG 4.41Å; L288-L290 HydrophobicContact CG-CD2 3.99Å; L288-L300 HydrophobicContact CB-CB 4.14Å; L288-L300 HydrophobicContact CB-CD2 4.22Å; L288-L300 PolarHBondContact N-O 2.77Å; L288-L300 WeakPolarHBondContact O-CB 3.36Å; L288-L300 PolarHBondContact O-N 3.41Å
289L92.8Very high88.2Confident0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-82137166.4-70-178.7000110.1F280 S281 T283 Y298 L299 L326 F328 A333F280-L289 CarbonylContact C-O 3.49Å; F280-L289 WeakPolarHBondContact CA-O 3.23Å; F280-L289 WeakPolarHBondContact CB-O 3.4Å; S281-L289 PolarHBondContact N-O 2.94Å; S281-L289 PolarHBondContact O-N 2.95Å; T283-L289 HydrophobicContact CG2-CG 4.39Å; L289-Y298 CarbonylContact C-O 3.56Å; L289-Y298 WeakPolarHBondContact CA-O 3.39Å; L289-L299 HydrophobicContact CD2-CB 4.02Å; L289-L299 HydrophobicContact CD2-CD1 3.81Å; L289-L299 HydrophobicContact CG-CD1 4.5Å; L289-L326 HydrophobicContact CB-CD2 3.7Å; L289-L326 HydrophobicContact CB-CG 4.35Å; L289-L326 HydrophobicContact CD1-CD1 4.23Å; L289-L326 HydrophobicContact CD1-CD2 4.44Å; L289-L326 HydrophobicContact CD1-CG 4.28Å; L289-F328 HydrophobicContact CD1-CB 3.68Å; L289-F328 HydrophobicContact CD1-CD2 3.93Å; L289-F328 HydrophobicContact CD1-CG 4.25Å; L289-F328 HydrophobicContact CG-CB 4.25Å; L289-F328 HydrophobicContact CG-CD2 4.29Å; L289-A333 HydrophobicContact CD1-CB 3.61Å
290L91.9Very high88.4Confident0 Ų021.4 Ų21.40%013%0.126CC..EExtended strand (participates in β ladder)trans-128.6122.8-179.7-62.4178.7000109.9L212 F227 I277 F280 L288 L292 L297 Y298 L306L212-L290 HydrophobicContact CD1-CD2 4.13Å; F227-L290 HydrophobicContact CZ-CD1 4.21Å; I277-L290 HydrophobicContact CD1-CD1 4.35Å; I277-L290 HydrophobicContact CD1-CD2 4.22Å; I277-L290 HydrophobicContact CG2-CD2 4.05Å; F280-L290 HydrophobicContact CB-CD2 3.84Å; L288-L290 HydrophobicContact CD2-CD2 3.64Å; L288-L290 HydrophobicContact CD2-CG 4.41Å; L288-L290 HydrophobicContact CG-CD2 3.99Å; L290-L292 HydrophobicContact CB-CD2 4.48Å; L290-L297 CarbonylContact O-C 3.54Å; L290-L297 WeakPolarHBondContact O-CA 3.42Å; L290-Y298 PolarHBondContact N-O 2.92Å; L290-Y298 PolarHBondContact O-N 3.47Å; L290-L306 HydrophobicContact CD1-CD1 3.95Å
291L90.3Very high88.4Confident0 Ų020.6 Ų20.60%012%0.124CC..EExtended strand (participates in β ladder)trans-96.7125.4168.1177.767.8000108.8C278 S279 L297 L312 F316 T324 L326 L335C278-L291 HydrophobicContact CB-CD2 4.47Å; C278-L291 HydrophobicContact CB-CG 4.46Å; C278-L291 PolarHBondContact N-O 3.29Å; S279-L291 PolarHBondContact N-O 2.96Å; S279-L291 PolarHBondContact O-N 2.95Å; L291-L297 HydrophobicContact CB-CD1 4.45Å; L291-L312 HydrophobicContact CD1-CD1 4.04Å; L291-F316 HydrophobicContact CD2-CZ 4.34Å; L291-T324 HydrophobicContact CD2-CG2 4.28Å; L291-L326 HydrophobicContact CB-CD2 4.5Å; L291-L335 HydrophobicContact CD1-CD2 4.35Å; L291-L335 HydrophobicContact CD2-CD1 3.9Å
292L88.2Confident88.1Confident1 Ų125.1 Ų25.11%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-100.6157.9-179.9-53.1-174.9000111.8T242 P275 E276 I277 L290 T294 G295 W296 Y298T242-L292 HydrophobicContact CG2-CD1 4.4Å; T242-L292 HydrophobicContact CG2-CD2 3.81Å; P275-L292 HydrophobicContact CB-CB 4.32Å; P275-L292 HydrophobicContact CB-CD1 4.22Å; P275-L292 HydrophobicContact CG-CD1 3.66Å; E276-L292 CarbonylContact O-C 3.57Å; E276-L292 VanDerWaalsContact O-CA 3.25Å; E276-L292 WeakPolarHBondContact O-CA 3.46Å; I277-L292 HydrophobicContact CB-CD2 4.43Å; I277-L292 HydrophobicContact CG1-CD2 3.81Å; L290-L292 HydrophobicContact CB-CD2 4.48Å; L292-T294 PolarHBondContact O-N 3.32Å; L292-T294 VanDerWaalsContact O-N 3.11Å; L292-G295 PolarHBondContact O-N 3.47Å; L292-W296 PolarHBondContact N-O 3.18Å; L292-Y298 HydrophobicContact CD1-CD2 3.45Å; L292-Y298 VanDerWaalsContact CD1-CD2 3.45Å; L292-Y298 HydrophobicContact CD1-CE2 3.3Å; L292-Y298 HydrophobicContact CG-CD2 3.91Å; L292-Y298 HydrophobicContact CG-CE2 4.17Å
293N83.1Confident87.6Confident47 Ų4726.5 Ų26.525%0.25115%0.149SC..THydrogen-bonded Turntrans-61.2-19.2177.167.8-7.8000113.9P275 E276 C278 G295 P318P275-N293 VanDerWaalsContact CB-OD1 3.3Å; P275-N293 WeakPolarHBondContact CB-OD1 3.36Å; E276-N293 HydrophobicContact CB-CB 4.31Å; E276-N293 PolarHBondContact N-ND2 2.96Å; E276-N293 PolarHBondContact N-OD1 3.34Å; E276-N293 PolarHBondContact O-N 2.93Å; C278-N293 WeakPolarHBondContact SG-CA 3.5Å; C278-N293 PolarHBondContact SG-N 3.42Å; C278-N293 VanDerWaalsContact SG-N 3.4Å; N293-G295 PolarHBondContact O-N 2.96Å; N293-P318 HydrophobicContact CB-CG 4.03Å
294T84.5Confident87.3Confident66 Ų6625.9 Ų25.941%0.40515%0.146SC..THydrogen-bonded Turntrans-75.2-2.3172.654.10000113.8P275 L292 W296P275-T294 HydrophobicContact CB-CG2 3.81Å; L292-T294 PolarHBondContact O-N 3.32Å; L292-T294 VanDerWaalsContact O-N 3.11Å; T294-W296 VanDerWaalsContact C-N 3.27Å; T294-W296 PolarHBondContact O-N 2.91Å
295G85.8Confident87.5Confident0 Ų025.3 Ų25.30%013%0.134CC..SBendtrans81.12.8-17600000114.1L292 N293 L312L292-G295 PolarHBondContact O-N 3.47Å; N293-G295 PolarHBondContact O-N 2.96Å; G295-L312 VanDerWaalsContact O-CD1 3.29Å; G295-L312 WeakPolarHBondContact O-CD1 3.29Å; G295-L312 PolarHBondContact O-N 3.38Å
296W88.9Confident87.8Confident55 Ų5522 Ų2221%0.20811%0.111CC..EExtended strand (participates in β ladder)trans-81.6134.5174.9-76.6102.9000112L292 T294 Y298 R308 K311L292-W296 PolarHBondContact N-O 3.18Å; T294-W296 VanDerWaalsContact C-N 3.27Å; T294-W296 PolarHBondContact O-N 2.91Å; W296-Y298 HydrophobicContact CB-CD2 3.82Å; W296-Y298 HydrophobicContact CB-CE2 3.33Å; W296-Y298 HydrophobicContact CG-CE2 4Å; W296-R308 HydrophobicContact CE3-CB 4.47Å; W296-R308 HydrophobicContact CE3-CG 4.32Å; W296-R308 HydrophobicContact CZ3-CB 4.36Å; W296-R308 HydrophobicContact CZ3-CG 4.45Å; W296-K311 HydrophobicContact CD2-CB 3.86Å; W296-K311 HydrophobicContact CD2-CD 4.23Å; W296-K311 HydrophobicContact CD2-CG 3.62Å; W296-K311 HydrophobicContact CE3-CB 3.65Å; W296-K311 HydrophobicContact CE3-CG 3.99Å; W296-K311 HydrophobicContact CG-CG 4.05Å; W296-K311 HydrophobicContact CH2-CB 3.86Å; W296-K311 HydrophobicContact CH2-CD 4.15Å; W296-K311 HydrophobicContact CH2-CG 4.22Å; W296-K311 HydrophobicContact CZ2-CB 4.07Å; W296-K311 HydrophobicContact CZ2-CD 3.6Å; W296-K311 HydrophobicContact CZ2-CG 3.9Å; W296-K311 HydrophobicContact CZ3-CB 3.66Å; W296-K311 HydrophobicContact CZ3-CG 4.27Å
297L91.3Very high87.9Confident0 Ų023 Ų230%012%0.115CC..EExtended strand (participates in β ladder)trans-98.6123.1167.5-175.470.4000109.1L290 L291 V309 Y310 L326 A333 M344L290-L297 CarbonylContact O-C 3.54Å; L290-L297 WeakPolarHBondContact O-CA 3.42Å; L291-L297 HydrophobicContact CB-CD1 4.45Å; L297-V309 HydrophobicContact CD2-CB 4.33Å; L297-V309 HydrophobicContact CD2-CG1 4.15Å; L297-V309 HydrophobicContact CG-CB 4.34Å; L297-V309 WeakPolarHBondContact O-CB 3.46Å; L297-V309 PolarHBondContact O-N 3.29Å; L297-Y310 PolarHBondContact N-O 3.4Å; L297-Y310 PolarHBondContact O-N 3.24Å; L297-L326 HydrophobicContact CD1-CD1 3.83Å; L297-L326 HydrophobicContact CD1-CD2 3.85Å; L297-A333 HydrophobicContact CD2-CB 4.02Å; L297-M344 HydrophobicContact CD2-CE 3.55Å; L297-M344 HydrophobicContact CD2-CG 4.18Å
298Y91.7Very high87.8Confident23 Ų2326.6 Ų26.69%0.0913%0.127CC..EExtended strand (participates in β ladder)trans-116.3150.6178.1-75-98.1000111.4L289 L290 L292 W296 L306 R307 R308L289-Y298 CarbonylContact C-O 3.56Å; L289-Y298 WeakPolarHBondContact CA-O 3.39Å; L290-Y298 PolarHBondContact N-O 2.92Å; L290-Y298 PolarHBondContact O-N 3.47Å; L292-Y298 HydrophobicContact CD1-CD2 3.45Å; L292-Y298 VanDerWaalsContact CD1-CD2 3.45Å; L292-Y298 HydrophobicContact CD1-CE2 3.3Å; L292-Y298 HydrophobicContact CG-CD2 3.91Å; L292-Y298 HydrophobicContact CG-CE2 4.17Å; W296-Y298 HydrophobicContact CB-CD2 3.82Å; W296-Y298 HydrophobicContact CB-CE2 3.33Å; W296-Y298 HydrophobicContact CG-CE2 4Å; Y298-L306 HydrophobicContact CD1-CD1 4.33Å; Y298-L306 HydrophobicContact CD1-CD2 3.82Å; Y298-L306 HydrophobicContact CD1-CG 3.59Å; Y298-L306 HydrophobicContact CE1-CD2 4.13Å; Y298-L306 HydrophobicContact CE1-CG 4.28Å; Y298-L306 HydrophobicContact CG-CD1 4.37Å; Y298-L306 HydrophobicContact CG-CD2 4.21Å; Y298-L306 HydrophobicContact CG-CG 4.07Å; Y298-R307 CarbonylContact C-O 3.57Å; Y298-R307 WeakPolarHBondContact CA-O 3.49Å; Y298-R307 WeakPolarHBondContact CD1-O 3.25Å; Y298-R308 HydrophobicContact CD1-CB 4.5Å; Y298-R308 HydrophobicContact CD1-CG 3.78Å; Y298-R308 HydrophobicContact CE1-CB 4.31Å; Y298-R308 HydrophobicContact CE1-CG 3.18Å; Y298-R308 HydrophobicContact CE2-CG 4.39Å
299L92.1Very high87.6Confident22 Ų2226.6 Ų26.612%0.11513%0.127CC..EExtended strand (participates in β ladder)trans-111.3113.4168.4173.567.3000108.4T283 L289 Q301 R307 V309 V346T283-L299 HydrophobicContact CG2-CD1 3.68Å; L289-L299 HydrophobicContact CD2-CB 4.02Å; L289-L299 HydrophobicContact CD2-CD1 3.81Å; L289-L299 HydrophobicContact CG-CD1 4.5Å; L299-Q301 HydrophobicContact CD2-CG 4.26Å; L299-Q301 HydrophobicContact CG-CG 4.29Å; L299-R307 PolarHBondContact N-O 3.43Å; L299-R307 PolarHBondContact O-N 3.47Å; L299-V309 HydrophobicContact CB-CG2 3.61Å; L299-V346 HydrophobicContact CB-CG1 4.5Å; L299-V346 HydrophobicContact CD2-CG1 3.83Å
300L91.4Very high87.3Confident0 Ų027.4 Ų27.40%013%0.131CC..EExtended strand (participates in β ladder)trans-77.9117.5164.3-178.269.3000108.4F227 G287 L288 M305 L306F227-L300 HydrophobicContact CD2-CD2 4.4Å; F227-L300 HydrophobicContact CE2-CD1 4.1Å; F227-L300 HydrophobicContact CE2-CD2 3.79Å; G287-L300 CarbonylContact C-O 3.51Å; G287-L300 WeakPolarHBondContact CA-O 3.43Å; L288-L300 HydrophobicContact CB-CB 4.14Å; L288-L300 HydrophobicContact CB-CD2 4.22Å; L288-L300 PolarHBondContact N-O 2.77Å; L288-L300 WeakPolarHBondContact O-CB 3.36Å; L288-L300 PolarHBondContact O-N 3.41Å; L300-M305 WeakPolarHBondContact CA-O 3.42Å; L300-L306 HydrophobicContact CB-CD1 4.04Å; L300-L306 HydrophobicContact CD1-CD1 4.24Å
301Q88.2Confident87.1Confident38 Ų3830 Ų3018%0.17814%0.142CC..  trans-85.2165.9178.1-66.4-174-16.100111.6L299 D303 G304 M305L299-Q301 HydrophobicContact CD2-CG 4.26Å; L299-Q301 HydrophobicContact CG-CG 4.29Å; Q301-D303 VanDerWaalsContact CB-OD1 3.23Å; Q301-D303 WeakPolarHBondContact CB-OD1 3.23Å; Q301-D303 PolarHBondContact O-N 3.29Å; Q301-G304 PolarHBondContact O-N 3.16Å; Q301-M305 PolarHBondContact N-O 2.93Å
302E84.4Confident86.9Confident102 Ų10230.5 Ų30.548%0.47714%0.144SC..THydrogen-bonded Turntrans-60.1-28.1179-56.8-170141.800113.4Y208 C285 G304Y208-E302 HydrophobicContact CE2-CB 4.21Å; Y208-E302 HydrophobicContact CE2-CG 4.27Å; C285-E302 VanDerWaalsContact O-CG 3.28Å; C285-E302 WeakPolarHBondContact O-CG 3.47Å; E302-G304 PolarHBondContact O-N 2.98Å
303D78.8Confident86.3Confident72 Ų7234.2 Ų34.239%0.38518%0.175SC..THydrogen-bonded Turntrans-78.2-2176.162.77.6000113.2Q301 M305 K418Q301-D303 VanDerWaalsContact CB-OD1 3.23Å; Q301-D303 WeakPolarHBondContact CB-OD1 3.23Å; Q301-D303 PolarHBondContact O-N 3.29Å; D303-M305 VanDerWaalsContact C-N 3.33Å; D303-M305 WeakPolarHBondContact OD1-CB 3.13Å; D303-M305 VanDerWaalsContact OD1-CG 3.26Å; D303-M305 WeakPolarHBondContact OD1-CG 3.37Å; D303-M305 PolarHBondContact OD1-N 3.05Å; D303-K418 VanDerWaalsContact OD2-CE 3.23Å; D303-K418 WeakPolarHBondContact OD2-CE 3.32Å; D303-K418 IonicContact OD2-NZ 3.68Å; D303-K418 PolarHBondContact OD2-NZ 2.89Å; D303-K418 VanDerWaalsContact OD2-NZ 3.11Å
304G81.2Confident85.1Confident4 Ų438.1 Ų38.14%0.04120%0.196CC..SBendtrans84.61.9-178.700000114.2Q301 E302Q301-G304 PolarHBondContact O-N 3.16Å; E302-G304 PolarHBondContact O-N 2.98Å
305M84.3Confident83.8Confident25 Ų2542.2 Ų42.212%0.12322%0.216CC..  trans-72.4134.8176-63.2-73.1-96.700110.4N245 T246 L300 Q301 D303N245-M305 CarbonylContact O-C 3.6Å; N245-M305 VanDerWaalsContact O-CA 3.32Å; N245-M305 WeakPolarHBondContact O-CA 3.45Å; T246-M305 HydrophobicContact CG2-CE 4.06Å; T246-M305 HydrophobicContact CG2-SD 3.73Å; L300-M305 WeakPolarHBondContact CA-O 3.42Å; Q301-M305 PolarHBondContact N-O 2.93Å; D303-M305 VanDerWaalsContact C-N 3.33Å; D303-M305 WeakPolarHBondContact OD1-CB 3.13Å; D303-M305 VanDerWaalsContact OD1-CG 3.26Å; D303-M305 WeakPolarHBondContact OD1-CG 3.37Å; D303-M305 PolarHBondContact OD1-N 3.05Å
306L87.3Confident82.9Confident3 Ų343.7 Ų43.72%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-102104.3178.2-168.673.8000109.2N245 L290 Y298 L300N245-L306 WeakPolarHBondContact CB-O 3.23Å; N245-L306 PolarHBondContact O-N 3.34Å; L290-L306 HydrophobicContact CD1-CD1 3.95Å; Y298-L306 HydrophobicContact CD1-CD1 4.33Å; Y298-L306 HydrophobicContact CD1-CD2 3.82Å; Y298-L306 HydrophobicContact CD1-CG 3.59Å; Y298-L306 HydrophobicContact CE1-CD2 4.13Å; Y298-L306 HydrophobicContact CE1-CG 4.28Å; Y298-L306 HydrophobicContact CG-CD1 4.37Å; Y298-L306 HydrophobicContact CG-CD2 4.21Å; Y298-L306 HydrophobicContact CG-CG 4.07Å; L300-L306 HydrophobicContact CB-CD1 4.04Å; L300-L306 HydrophobicContact CD1-CD1 4.24Å
307R86.9Confident81.6Confident21 Ų2145.9 Ų45.98%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-97.8135.5-175.9179179.5170-166.5-1.9111.2Y298 L299 N347 E414Y298-R307 CarbonylContact C-O 3.57Å; Y298-R307 WeakPolarHBondContact CA-O 3.49Å; Y298-R307 WeakPolarHBondContact CD1-O 3.25Å; L299-R307 PolarHBondContact N-O 3.43Å; L299-R307 PolarHBondContact O-N 3.47Å; R307-N347 PolarHBondContact NH2-O 2.67Å; R307-E414 WeakPolarHBondContact CD-OE2 3.24Å; R307-E414 IonicContact NE-OE2 3.41Å
308R88.4Confident80.1Confident79 Ų7948.8 Ų48.830%0.29826%0.26SS..EExtended strand (participates in β ladder)trans-72.9131.7171-73.6-175.2-74.2-163.9-7.4110.6W296 Y298 V407 E410W296-R308 HydrophobicContact CE3-CB 4.47Å; W296-R308 HydrophobicContact CE3-CG 4.32Å; W296-R308 HydrophobicContact CZ3-CB 4.36Å; W296-R308 HydrophobicContact CZ3-CG 4.45Å; Y298-R308 HydrophobicContact CD1-CB 4.5Å; Y298-R308 HydrophobicContact CD1-CG 3.78Å; Y298-R308 HydrophobicContact CE1-CB 4.31Å; Y298-R308 HydrophobicContact CE1-CG 3.18Å; Y298-R308 HydrophobicContact CE2-CG 4.39Å; R308-V407 WeakPolarHBondContact O-CG1 3.47Å; R308-E410 IonicContact CZ-OE1 3.74Å; R308-E410 IonicContact CZ-OE2 2.74Å; R308-E410 IonicContact NE-OE1 2.77Å; R308-E410 IonicContact NE-OE2 2.75Å; R308-E410 PolarHBondContact NE-OE2 2.65Å; R308-E410 IonicContact NH2-OE1 3.24Å; R308-E410 PolarHBondContact NH2-OE1 3.25Å; R308-E410 IonicContact NH2-OE2 2.82Å; R308-E410 PolarHBondContact NH2-OE2 3.24Å
309V88.7Confident78.6Confident0 Ų054.4 Ų54.40%029%0.287CS..EExtended strand (participates in β ladder)trans-110.7-55.7-179.5179.90000110.8L297 L299 V346 G349L297-V309 HydrophobicContact CD2-CB 4.33Å; L297-V309 HydrophobicContact CD2-CG1 4.15Å; L297-V309 HydrophobicContact CG-CB 4.34Å; L297-V309 WeakPolarHBondContact O-CB 3.46Å; L297-V309 PolarHBondContact O-N 3.29Å; L299-V309 HydrophobicContact CB-CG2 3.61Å; V309-V346 HydrophobicContact CG1-CB 4.2Å; V309-V346 HydrophobicContact CG1-CG1 4.02Å; V309-V346 HydrophobicContact CG1-CG2 4.28Å; V309-V346 HydrophobicContact CG2-CG1 3.93Å; V309-G349 WeakPolarHBondContact O-CA 3.22Å
310Y86.9Confident76.6Confident18 Ų1858.5 Ų58.57%0.07132%0.324CS..EExtended strand (participates in β ladder)trans-152.2153-173.4-173.3-104.9000110.2L297 L312 G349 E351L297-Y310 PolarHBondContact N-O 3.4Å; L297-Y310 PolarHBondContact O-N 3.24Å; Y310-L312 HydrophobicContact CD1-CD1 4.18Å; Y310-L312 HydrophobicContact CE1-CD1 4.44Å; Y310-L312 HydrophobicContact CE1-CG 4.46Å; Y310-G349 WeakPolarHBondContact CD2-O 3.33Å; Y310-E351 HydrophobicContact CE2-CB 4.02Å; Y310-E351 PolarHBondContact OH-OE2 3.33Å
311K87.8Confident75Confident53 Ų5365.7 Ų65.723%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-119.7126.5170.3-158.8-164.6-176.1-171.20108W296 D314 Q403W296-K311 HydrophobicContact CD2-CB 3.86Å; W296-K311 HydrophobicContact CD2-CD 4.23Å; W296-K311 HydrophobicContact CD2-CG 3.62Å; W296-K311 HydrophobicContact CE3-CB 3.65Å; W296-K311 HydrophobicContact CE3-CG 3.99Å; W296-K311 HydrophobicContact CG-CG 4.05Å; W296-K311 HydrophobicContact CH2-CB 3.86Å; W296-K311 HydrophobicContact CH2-CD 4.15Å; W296-K311 HydrophobicContact CH2-CG 4.22Å; W296-K311 HydrophobicContact CZ2-CB 4.07Å; W296-K311 HydrophobicContact CZ2-CD 3.6Å; W296-K311 HydrophobicContact CZ2-CG 3.9Å; W296-K311 HydrophobicContact CZ3-CB 3.66Å; W296-K311 HydrophobicContact CZ3-CG 4.27Å; K311-D314 WeakPolarHBondContact CE-OD1 3.36Å; K311-D314 IonicContact NZ-OD1 3.72Å; K311-D314 PolarHBondContact NZ-OD1 2.89Å; K311-Q403 VanDerWaalsContact CA-NE2 3.32Å; K311-Q403 PolarHBondContact O-NE2 3.09Å
312L84.2Confident74.1Confident11 Ų1166.2 Ų66.26%0.05837%0.369CS..  trans-65.3154.2167.8-79.279.6000109.2L291 G295 Y310 F316 L335 V337L291-L312 HydrophobicContact CD1-CD1 4.04Å; G295-L312 VanDerWaalsContact O-CD1 3.29Å; G295-L312 WeakPolarHBondContact O-CD1 3.29Å; G295-L312 PolarHBondContact O-N 3.38Å; Y310-L312 HydrophobicContact CD1-CD1 4.18Å; Y310-L312 HydrophobicContact CE1-CD1 4.44Å; Y310-L312 HydrophobicContact CE1-CG 4.46Å; L312-F316 HydrophobicContact CB-CB 4.11Å; L312-F316 HydrophobicContact CB-CD2 4.4Å; L312-F316 HydrophobicContact CB-CG 4.3Å; L312-F316 HydrophobicContact CD2-CD2 3.71Å; L312-F316 HydrophobicContact CD2-CE2 3.98Å; L312-F316 HydrophobicContact CD2-CG 4.38Å; L312-L335 HydrophobicContact CD1-CD2 3.56Å; L312-L335 HydrophobicContact CD2-CD2 3.95Å; L312-L335 HydrophobicContact CG-CD2 4.24Å; L312-V337 HydrophobicContact CD2-CB 4.44Å; L312-V337 HydrophobicContact CD2-CG2 3.58Å
313A77.2Confident73.7Confident79 Ų7963 Ų6365%0.65335%0.354SS*.  trans-51146.4179.900000111.5N315 F316A313-N315 PolarHBondContact O-N 3.46Å; A313-F316 WeakPolarHBondContact O-CB 3.21Å; A313-F316 PolarHBondContact O-N 3.27Å
314D58.2Low73.9Confident130 Ų13061.2 Ų61.270%0.69535%0.346SS*.THydrogen-bonded Turntrans-58.7-12.6-167.3-67.5-41.9000115.4K311 F316K311-D314 WeakPolarHBondContact CE-OD1 3.36Å; K311-D314 IonicContact NZ-OD1 3.72Å; K311-D314 PolarHBondContact NZ-OD1 2.89Å; D314-F316 VanDerWaalsContact C-N 3.27Å; D314-F316 PolarHBondContact O-N 3.49Å
315N57.2Low74.1Confident152 Ų15261.3 Ų61.381%0.81335%0.346SS*.THydrogen-bonded Turntrans-84.15174.4-62.1-23.9000113.7A313 T317A313-N315 PolarHBondContact O-N 3.46Å; N315-T317 PolarHBondContact O-N 3.14Å
316F65.9Low74.4Confident31 Ų3160.6 Ų60.614%0.13634%0.342CS..  trans-66.4100.2174.6-177.8-96.7000109.8L291 L312 A313 D314 P318 V337L291-F316 HydrophobicContact CD2-CZ 4.34Å; L312-F316 HydrophobicContact CB-CB 4.11Å; L312-F316 HydrophobicContact CB-CD2 4.4Å; L312-F316 HydrophobicContact CB-CG 4.3Å; L312-F316 HydrophobicContact CD2-CD2 3.71Å; L312-F316 HydrophobicContact CD2-CE2 3.98Å; L312-F316 HydrophobicContact CD2-CG 4.38Å; A313-F316 WeakPolarHBondContact O-CB 3.21Å; A313-F316 PolarHBondContact O-N 3.27Å; D314-F316 VanDerWaalsContact C-N 3.27Å; D314-F316 PolarHBondContact O-N 3.49Å; F316-P318 HydrophobicContact CE1-CB 4.41Å; F316-P318 HydrophobicContact CE1-CG 4.37Å; F316-P318 HydrophobicContact CZ-CB 4.4Å; F316-V337 HydrophobicContact CD2-CG1 4.26Å; F316-V337 HydrophobicContact CE2-CG1 3.84Å; F316-V337 HydrophobicContact CE2-CG2 4.21Å
317T60.9Low74.5Confident101 Ų10160.5 Ų60.562%0.6234%0.342SS*.  trans-113.7118164.338.10000106.3N315 Q319N315-T317 PolarHBondContact O-N 3.14Å; T317-Q319 PolarHBondContact O-N 3.48Å
318P61.5Low74.5Confident60 Ų6060.4 Ų60.439%0.3934%0.342SS..  trans-65.592.6172.126.2-30.7000107.5N293 F316N293-P318 HydrophobicContact CB-CG 4.03Å; F316-P318 HydrophobicContact CE1-CB 4.41Å; F316-P318 HydrophobicContact CE1-CG 4.37Å; F316-P318 HydrophobicContact CZ-CB 4.4Å
319Q58.2Low74.3Confident141 Ų14157.6 Ų57.666%0.65933%0.331SS*.  trans-61.3143.3164.8-69.8178.3-8.900107T317 D321 T322T317-Q319 PolarHBondContact O-N 3.48Å; Q319-D321 PolarHBondContact O-N 2.94Å; Q319-T322 PolarHBondContact O-N 2.96Å
320A52.2Low73.9Confident108 Ų10861.7 Ų61.789%0.89336%0.356SS*.THydrogen-bonded Turntrans-52.3-18.6-172.700000114.7
321D56.8Low73.7Confident152 Ų15264.3 Ų64.381%0.81337%0.372SS*.THydrogen-bonded Turntrans-114.27.3-177.6-65.1-31000115.1Q319 H323Q319-D321 PolarHBondContact O-N 2.94Å; D321-H323 PolarHBondContact O-N 3.3Å
322T68.6Low73.7Confident48 Ų4862.7 Ų62.729%0.29437%0.366SS..  trans-76.8112.7179-52.70000110.5Q319 T324 V337Q319-T322 PolarHBondContact O-N 2.96Å; T322-T324 PolarHBondContact O-N 2.68Å; T322-V337 HydrophobicContact CG2-CG1 3.94Å
323H76.2Confident74Confident36 Ų3662.1 Ų62.117%0.16736%0.363CS..  trans-63128.2175.7-176.1-94.5000111D321 G338 E360 G361D321-H323 PolarHBondContact O-N 3.3Å; H323-G338 PolarHBondContact O-N 3.31Å; H323-E360 HydrophobicContact CB-CG 4.42Å; H323-E360 VanDerWaalsContact CB-OE2 3.31Å; H323-E360 WeakPolarHBondContact CB-OE2 3.33Å; H323-E360 IonicContact CG-OE2 3.15Å; H323-G361 PolarHBondContact CE1-O 3.44Å; H323-G361 PolarHBondContact ND1-O 2.95Å
324T82.9Confident74.7Confident34 Ų3458.4 Ų58.421%0.20933%0.332CS..EExtended strand (participates in β ladder)trans-125.6137.1173.859.20000110.9L291 T322 I336 V337L291-T324 HydrophobicContact CD2-CG2 4.28Å; T322-T324 PolarHBondContact O-N 2.68Å; T324-I336 VanDerWaalsContact CA-O 3.27Å; T324-I336 WeakPolarHBondContact CA-O 3.31Å; T324-V337 HydrophobicContact CG2-CG2 4.35Å
325S86.4Confident76.3Confident6 Ų652.2 Ų52.24%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-139.6135.1175.4178.40000109.8L335 I336 L362 L363S325-L335 CarbonylContact O-C 3.57Å; S325-L335 WeakPolarHBondContact O-CA 3.48Å; S325-I336 PolarHBondContact N-O 2.95Å; S325-I336 VanDerWaalsContact N-O 3.1Å; S325-I336 PolarHBondContact O-N 3.39Å; S325-L362 WeakPolarHBondContact OG-CD1 3.44Å; S325-L363 WeakPolarHBondContact OG-CB 3.48Å; S325-L363 PolarHBondContact OG-N 2.96Å
326L89.5Confident77.8Confident10 Ų1045 Ų455%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-129.7133.9-174.2-175.165.3000110.1S281 L289 L291 L297 A334 L335 M344S281-L326 VanDerWaalsContact CB-O 3.22Å; S281-L326 WeakPolarHBondContact CB-O 3.46Å; S281-L326 PolarHBondContact OG-O 2.85Å; L289-L326 HydrophobicContact CB-CD2 3.7Å; L289-L326 HydrophobicContact CB-CG 4.35Å; L289-L326 HydrophobicContact CD1-CD1 4.23Å; L289-L326 HydrophobicContact CD1-CD2 4.44Å; L289-L326 HydrophobicContact CD1-CG 4.28Å; L291-L326 HydrophobicContact CB-CD2 4.5Å; L297-L326 HydrophobicContact CD1-CD1 3.83Å; L297-L326 HydrophobicContact CD1-CD2 3.85Å; L326-A334 WeakPolarHBondContact CA-O 3.33Å; L326-L335 HydrophobicContact CB-CD1 4.47Å; L326-L335 HydrophobicContact CD1-CB 3.98Å; L326-L335 HydrophobicContact CD1-CD1 4.09Å; L326-M344 HydrophobicContact CD1-CE 4.4Å
327C89Confident78.8Confident1 Ų144.7 Ų44.71%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-139.7132.4179.7178.50000109.8S281 A333 A334 L363 T365S281-C327 WeakPolarHBondContact OG-CA 3.43Å; C327-A333 WeakPolarHBondContact O-CA 3.31Å; C327-A334 HydrophobicContact CB-CB 4.42Å; C327-A334 PolarHBondContact N-O 2.96Å; C327-A334 PolarHBondContact O-N 3.07Å; C327-L363 HydrophobicContact CB-CB 3.53Å; C327-L363 HydrophobicContact CB-CD1 3.97Å; C327-L363 HydrophobicContact CB-CG 4.32Å; C327-T365 WeakPolarHBondContact SG-CG2 3.49Å
328F87.4Confident79.8Confident19 Ų1940.5 Ų40.58%0.08324%0.238CC..EExtended strand (participates in β ladder)trans-102.4134.5169.6-179.2-97.3000109.8T283 L289 V330 V346 T365T283-F328 VanDerWaalsContact CA-CD1 3.5Å; T283-F328 HydrophobicContact CG2-CB 4.34Å; T283-F328 HydrophobicContact CG2-CD1 3.97Å; T283-F328 HydrophobicContact CG2-CD2 4.28Å; T283-F328 HydrophobicContact CG2-CE1 4.31Å; T283-F328 HydrophobicContact CG2-CG 3.93Å; T283-F328 WeakPolarHBondContact O-CD1 3.49Å; L289-F328 HydrophobicContact CD1-CB 3.68Å; L289-F328 HydrophobicContact CD1-CD2 3.93Å; L289-F328 HydrophobicContact CD1-CG 4.25Å; L289-F328 HydrophobicContact CG-CB 4.25Å; L289-F328 HydrophobicContact CG-CD2 4.29Å; F328-V330 WeakPolarHBondContact CZ-O 3.44Å; F328-V346 HydrophobicContact CD2-CG2 4.04Å; F328-V346 HydrophobicContact CE2-CB 4.26Å; F328-V346 HydrophobicContact CE2-CG1 4.4Å; F328-V346 HydrophobicContact CE2-CG2 3.82Å; F328-T365 WeakPolarHBondContact O-CG2 3.45Å
329Y83.9Confident81Confident19 Ų1943.2 Ų43.28%0.07524%0.244CC..EExtended strand (participates in β ladder)trans-146.2135.6171.367.4-79.8000109.7N331 T332 A334 R371 P373 L384Y329-N331 PolarHBondContact O-N 2.62Å; Y329-T332 WeakPolarHBondContact CD1-O 3.42Å; Y329-T332 HydrophobicContact CE1-CG2 3.75Å; Y329-T332 HydrophobicContact CE2-CG2 4.43Å; Y329-T332 PolarHBondContact N-O 3.39Å; Y329-T332 PolarHBondContact O-N 2.99Å; Y329-T332 VanDerWaalsContact O-O 3.08Å; Y329-T332 VanDerWaalsContact OH-CG2 3.29Å; Y329-T332 WeakPolarHBondContact OH-CG2 3.31Å; Y329-A334 HydrophobicContact CE1-CB 4.01Å; Y329-R371 WeakPolarHBondContact CD2-O 3.39Å; Y329-P373 HydrophobicContact CD1-CB 4.05Å; Y329-P373 HydrophobicContact CD1-CG 3.69Å; Y329-P373 HydrophobicContact CE1-CB 4.36Å; Y329-P373 HydrophobicContact CE1-CG 3.56Å; Y329-P373 HydrophobicContact CE2-CG 4.48Å; Y329-P373 HydrophobicContact CG-CG 4.23Å; Y329-L384 HydrophobicContact CE1-CD2 4.47Å; Y329-L384 VanDerWaalsContact OH-CD2 3.28Å; Y329-L384 WeakPolarHBondContact OH-CD2 3.47Å
330V80.5Confident82.4Confident87 Ų8739 Ų3953%0.52723%0.227SC..THydrogen-bonded Turntrans54.5-89.2-178.4-171.50000112.9F328 R371F328-V330 WeakPolarHBondContact CZ-O 3.44Å; V330-R371 HydrophobicContact CG2-CB 4.42Å
331N83.8Confident84.2Confident73 Ų7333.9 Ų33.939%0.3919%0.185SC..THydrogen-bonded Turntrans-141.917.7176.9-78.1-35.7000111.7Y329 V346Y329-N331 PolarHBondContact O-N 2.62Å; N331-V346 PolarHBondContact O-N 3.18Å
332T87.8Confident85.8Confident18 Ų1827.7 Ų27.711%0.1115%0.151CC..EExtended strand (participates in β ladder)trans-120.2133.4-176.6-55.80000108.8Y329 L343 M344 L352Y329-T332 WeakPolarHBondContact CD1-O 3.42Å; Y329-T332 HydrophobicContact CE1-CG2 3.75Å; Y329-T332 HydrophobicContact CE2-CG2 4.43Å; Y329-T332 PolarHBondContact N-O 3.39Å; Y329-T332 PolarHBondContact O-N 2.99Å; Y329-T332 VanDerWaalsContact O-O 3.08Å; Y329-T332 VanDerWaalsContact OH-CG2 3.29Å; Y329-T332 WeakPolarHBondContact OH-CG2 3.31Å; T332-L343 HydrophobicContact CG2-CB 4.44Å; T332-M344 CarbonylContact C-O 3.58Å; T332-M344 VanDerWaalsContact CA-O 3.32Å; T332-M344 WeakPolarHBondContact CA-O 3.42Å; T332-M344 WeakPolarHBondContact CG2-O 3.45Å; T332-L352 HydrophobicContact CG2-CD1 3.92Å
333A90.8Very high86.8Confident0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-97.7127168.300000107.9L289 L297 C327 M344 V346L289-A333 HydrophobicContact CD1-CB 3.61Å; L297-A333 HydrophobicContact CD2-CB 4.02Å; C327-A333 WeakPolarHBondContact O-CA 3.31Å; A333-M344 VanDerWaalsContact C-CE 3.46Å; A333-M344 HydrophobicContact CB-CE 3.43Å; A333-M344 VanDerWaalsContact CB-CE 3.43Å; A333-M344 HydrophobicContact CB-CG 4Å; A333-M344 HydrophobicContact CB-SD 4.48Å; A333-M344 PolarHBondContact N-O 3.14Å; A333-M344 WeakPolarHBondContact O-CE 3.43Å; A333-M344 PolarHBondContact O-N 2.9Å; A333-V346 HydrophobicContact CB-CG2 3.68Å
334A91.2Very high87.5Confident0 Ų023.7 Ų23.70%013%0.129CC..EExtended strand (participates in β ladder)trans-100.8125.5168.900000108.1L326 C327 Y329 L341 H342 L343 L363L326-A334 WeakPolarHBondContact CA-O 3.33Å; C327-A334 HydrophobicContact CB-CB 4.42Å; C327-A334 PolarHBondContact N-O 2.96Å; C327-A334 PolarHBondContact O-N 3.07Å; Y329-A334 HydrophobicContact CE1-CB 4.01Å; A334-L341 HydrophobicContact CB-CD1 4.11Å; A334-H342 WeakPolarHBondContact CA-O 3.36Å; A334-L343 HydrophobicContact CB-CD2 3.76Å; A334-L363 VanDerWaalsContact C-CD1 3.47Å; A334-L363 HydrophobicContact CB-CD1 3.65Å; A334-L363 HydrophobicContact CB-CD2 4.35Å; A334-L363 WeakPolarHBondContact O-CD1 3.47Å
335L91.6Very high87.7Confident1 Ų125.2 Ų25.21%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-129.9124.3-179.6169.566.9000109.7L291 L312 S325 L326 V337 H342 M344L291-L335 HydrophobicContact CD1-CD2 4.35Å; L291-L335 HydrophobicContact CD2-CD1 3.9Å; L312-L335 HydrophobicContact CD1-CD2 3.56Å; L312-L335 HydrophobicContact CD2-CD2 3.95Å; L312-L335 HydrophobicContact CG-CD2 4.24Å; S325-L335 CarbonylContact O-C 3.57Å; S325-L335 WeakPolarHBondContact O-CA 3.48Å; L326-L335 HydrophobicContact CB-CD1 4.47Å; L326-L335 HydrophobicContact CD1-CB 3.98Å; L326-L335 HydrophobicContact CD1-CD1 4.09Å; L335-V337 HydrophobicContact CD1-CG2 4.03Å; L335-V337 HydrophobicContact CD2-CG2 3.97Å; L335-V337 HydrophobicContact CG-CG2 3.85Å; L335-H342 HydrophobicContact CB-CB 4.44Å; L335-H342 PolarHBondContact N-O 3.19Å; L335-H342 PolarHBondContact O-N 3.2Å; L335-M344 HydrophobicContact CB-CE 3.28Å; L335-M344 HydrophobicContact CB-SD 4.31Å; L335-M344 HydrophobicContact CD2-CE 4.34Å; L335-M344 HydrophobicContact CG-CE 4.45Å
336I88.5Confident87.7Confident0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-97.6127.4168.1-63.5174.8000108.4T324 S325 G338 T340 L341 L357 G361 L363 L375T324-I336 VanDerWaalsContact CA-O 3.27Å; T324-I336 WeakPolarHBondContact CA-O 3.31Å; S325-I336 PolarHBondContact N-O 2.95Å; S325-I336 VanDerWaalsContact N-O 3.1Å; S325-I336 PolarHBondContact O-N 3.39Å; I336-G338 WeakPolarHBondContact CG2-O 3.47Å; I336-T340 WeakPolarHBondContact CA-O 3.26Å; I336-L341 HydrophobicContact CG1-CB 4.31Å; I336-L341 HydrophobicContact CG1-CD1 3.79Å; I336-L357 HydrophobicContact CD1-CD1 3.9Å; I336-L357 HydrophobicContact CG1-CD1 4.16Å; I336-L357 HydrophobicContact CG2-CD1 4.2Å; I336-G361 WeakPolarHBondContact CD1-O 3.19Å; I336-L363 HydrophobicContact CD1-CD1 4.16Å; I336-L363 HydrophobicContact CD1-CD2 3.9Å; I336-L363 HydrophobicContact CD1-CG 3.62Å; I336-L363 HydrophobicContact CG1-CD1 3.9Å; I336-L363 HydrophobicContact CG1-CD2 4.36Å; I336-L363 HydrophobicContact CG1-CG 3.95Å; I336-L375 HydrophobicContact CD1-CD1 3.4Å
337V86.7Confident87.3Confident24 Ų2428 Ų2815%0.14515%0.149CC..EExtended strand (participates in β ladder)trans-124.2110.9165.9-178.80000107.9L312 F316 T322 T324 L335 K339 T340L312-V337 HydrophobicContact CD2-CB 4.44Å; L312-V337 HydrophobicContact CD2-CG2 3.58Å; F316-V337 HydrophobicContact CD2-CG1 4.26Å; F316-V337 HydrophobicContact CE2-CG1 3.84Å; F316-V337 HydrophobicContact CE2-CG2 4.21Å; T322-V337 HydrophobicContact CG2-CG1 3.94Å; T324-V337 HydrophobicContact CG2-CG2 4.35Å; L335-V337 HydrophobicContact CD1-CG2 4.03Å; L335-V337 HydrophobicContact CD2-CG2 3.97Å; L335-V337 HydrophobicContact CG-CG2 3.85Å; V337-K339 PolarHBondContact O-N 3.34Å; V337-K339 VanDerWaalsContact O-N 3.1Å; V337-T340 PolarHBondContact N-O 3.49Å; V337-T340 PolarHBondContact O-N 3.09Å; V337-T340 VanDerWaalsContact O-N 3.13Å
338G83.2Confident86.6Confident13 Ų1328.8 Ų28.813%0.13415%0.154CC..THydrogen-bonded Turntrans58.8-112.1-172.300000111.5H323 I336H323-G338 PolarHBondContact O-N 3.31Å; I336-G338 WeakPolarHBondContact CG2-O 3.47Å
339K85Confident86.3Confident118 Ų11828 Ų2851%0.51315%0.152SC..THydrogen-bonded Turntrans-106.617.2-178.8-59.6-174.7-176.8-176.10113.8V337 L357 E360V337-K339 PolarHBondContact O-N 3.34Å; V337-K339 VanDerWaalsContact O-N 3.1Å; K339-L357 WeakPolarHBondContact O-CA 3.4Å; K339-L357 WeakPolarHBondContact O-CB 3.42Å; K339-L357 PolarHBondContact O-N 3.42Å; K339-E360 HydrophobicContact CG-CG 4.43Å
340T87.9Confident86.2Confident51 Ų5129.6 Ų29.631%0.31316%0.157SC..EExtended strand (participates in β ladder)trans-120.2126.1-179.7-48.90000109.7I336 V337 H342I336-T340 WeakPolarHBondContact CA-O 3.26Å; V337-T340 PolarHBondContact N-O 3.49Å; V337-T340 PolarHBondContact O-N 3.09Å; V337-T340 VanDerWaalsContact O-N 3.13Å; T340-H342 WeakPolarHBondContact CG2-NE2 3.27Å
341L89.9Confident86.4Confident1 Ų126 Ų261%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-94.7118.9170172.262.8000109.1L6 A334 I336 L343 K354 I355 L357 L363 L384L6-L341 HydrophobicContact CD2-CD2 4.34Å; A334-L341 HydrophobicContact CB-CD1 4.11Å; I336-L341 HydrophobicContact CG1-CB 4.31Å; I336-L341 HydrophobicContact CG1-CD1 3.79Å; L341-L343 HydrophobicContact CD1-CD2 4.13Å; L341-L343 HydrophobicContact CD2-CD2 4.38Å; L341-L343 HydrophobicContact CG-CD2 4.18Å; L341-L343 HydrophobicContact CG-CG 4.47Å; L341-K354 CarbonylContact O-C 3.49Å; L341-K354 WeakPolarHBondContact O-CA 3.38Å; L341-I355 HydrophobicContact CB-CB 4.27Å; L341-I355 HydrophobicContact CD2-CD1 4.31Å; L341-I355 PolarHBondContact N-O 2.96Å; L341-I355 PolarHBondContact O-N 2.87Å; L341-L357 HydrophobicContact CB-CD1 4.25Å; L341-L357 HydrophobicContact CB-CD2 4.13Å; L341-L357 HydrophobicContact CB-CG 4.21Å; L341-L363 HydrophobicContact CD1-CD1 4.19Å; L341-L363 HydrophobicContact CD1-CD2 4.2Å; L341-L384 HydrophobicContact CD2-CD1 4.3Å
342H90.3Very high86.5Confident23 Ų2324.4 Ų24.411%0.10613%0.126CC..EExtended strand (participates in β ladder)trans-100.7129173.3-62.5-98.1000109.1A334 L335 T340 M344 E351A334-H342 WeakPolarHBondContact CA-O 3.36Å; L335-H342 HydrophobicContact CB-CB 4.44Å; L335-H342 PolarHBondContact N-O 3.19Å; L335-H342 PolarHBondContact O-N 3.2Å; T340-H342 WeakPolarHBondContact CG2-NE2 3.27Å; H342-M344 HydrophobicContact CB-SD 4.01Å; H342-E351 IonicContact CE1-OE2 2.81Å; H342-E351 IonicContact CG-OE2 2.74Å; H342-E351 IonicContact ND1-OE2 3.21Å; H342-E351 PolarHBondContact ND1-OE2 3Å
343L90.5Very high86.5Confident0 Ų025.1 Ų25.10%013%0.128CC..EExtended strand (participates in β ladder)trans-111.9124.1171.8-58.7177000108F4 T332 A334 L341 E351 L352 Q353 I355 L384F4-L343 HydrophobicContact CB-CD1 3.72Å; F4-L343 HydrophobicContact CD1-CD1 4.14Å; F4-L343 HydrophobicContact CD2-CD1 3.74Å; F4-L343 HydrophobicContact CE2-CD1 4.42Å; F4-L343 HydrophobicContact CG-CD1 3.58Å; T332-L343 HydrophobicContact CG2-CB 4.44Å; A334-L343 HydrophobicContact CB-CD2 3.76Å; L341-L343 HydrophobicContact CD1-CD2 4.13Å; L341-L343 HydrophobicContact CD2-CD2 4.38Å; L341-L343 HydrophobicContact CG-CD2 4.18Å; L341-L343 HydrophobicContact CG-CG 4.47Å; L343-E351 CarbonylContact O-C 3.59Å; L343-E351 WeakPolarHBondContact O-CG 3.48Å; L343-L352 HydrophobicContact CB-CB 4.25Å; L343-L352 PolarHBondContact O-N 2.84Å; L343-Q353 HydrophobicContact CD1-CB 4.33Å; L343-Q353 PolarHBondContact N-O 2.89Å; L343-Q353 PolarHBondContact O-N 3.4Å; L343-I355 HydrophobicContact CD1-CD1 4.32Å; L343-L384 HydrophobicContact CD1-CD1 4.06Å; L343-L384 HydrophobicContact CD1-CD2 3.68Å; L343-L384 HydrophobicContact CD1-CG 4.37Å; L343-L384 HydrophobicContact CD2-CD2 3.5Å; L343-L384 VanDerWaalsContact CD2-CD2 3.5Å; L343-L384 HydrophobicContact CG-CD2 4.24Å
344M90.1Very high86.4Confident0 Ų030.2 Ų30.20%015%0.15CC..EExtended strand (participates in β ladder)trans-135.1137.7-178.948.6-85.8171.200111.5L297 L326 T332 A333 L335 H342 V346 R350L297-M344 HydrophobicContact CD2-CE 3.55Å; L297-M344 HydrophobicContact CD2-CG 4.18Å; L326-M344 HydrophobicContact CD1-CE 4.4Å; T332-M344 CarbonylContact C-O 3.58Å; T332-M344 VanDerWaalsContact CA-O 3.32Å; T332-M344 WeakPolarHBondContact CA-O 3.42Å; T332-M344 WeakPolarHBondContact CG2-O 3.45Å; A333-M344 VanDerWaalsContact C-CE 3.46Å; A333-M344 HydrophobicContact CB-CE 3.43Å; A333-M344 VanDerWaalsContact CB-CE 3.43Å; A333-M344 HydrophobicContact CB-CG 4Å; A333-M344 HydrophobicContact CB-SD 4.48Å; A333-M344 PolarHBondContact N-O 3.14Å; A333-M344 WeakPolarHBondContact O-CE 3.43Å; A333-M344 PolarHBondContact O-N 2.9Å; L335-M344 HydrophobicContact CB-CE 3.28Å; L335-M344 HydrophobicContact CB-SD 4.31Å; L335-M344 HydrophobicContact CD2-CE 4.34Å; L335-M344 HydrophobicContact CG-CE 4.45Å; H342-M344 HydrophobicContact CB-SD 4.01Å; M344-V346 PolarHBondContact O-N 2.94Å; M344-R350 CarbonylContact C-O 3.59Å; M344-R350 VanDerWaalsContact CA-O 3.26Å; M344-R350 WeakPolarHBondContact CA-O 3.48Å
345E87.9Confident86.3Confident66 Ų6631.4 Ų31.431%0.30816%0.156SC..EExtended strand (participates in β ladder)trans-77.2120.7173.5-176.9173.3-160.400109.8N347 C348 G349 R350 L352E345-N347 VanDerWaalsContact C-N 3.31Å; E345-N347 PolarHBondContact O-N 3.47Å; E345-C348 PolarHBondContact OE2-SG 3.46Å; E345-G349 VanDerWaalsContact O-CA 3.31Å; E345-G349 WeakPolarHBondContact O-CA 3.47Å; E345-G349 PolarHBondContact O-N 2.93Å; E345-R350 PolarHBondContact N-O 3.26Å; E345-L352 HydrophobicContact CB-CD1 4.27Å; E345-L352 HydrophobicContact CB-CD2 4.11Å; E345-L352 HydrophobicContact CB-CG 4.18Å
346V86.4Confident86.1Confident2 Ų235.7 Ų35.71%0.01219%0.192CC..THydrogen-bonded Turntrans-71-30-171.3177.80000112L299 V309 F328 N331 A333 M344L299-V346 HydrophobicContact CB-CG1 4.5Å; L299-V346 HydrophobicContact CD2-CG1 3.83Å; V309-V346 HydrophobicContact CG1-CB 4.2Å; V309-V346 HydrophobicContact CG1-CG1 4.02Å; V309-V346 HydrophobicContact CG1-CG2 4.28Å; V309-V346 HydrophobicContact CG2-CG1 3.93Å; F328-V346 HydrophobicContact CD2-CG2 4.04Å; F328-V346 HydrophobicContact CE2-CB 4.26Å; F328-V346 HydrophobicContact CE2-CG1 4.4Å; F328-V346 HydrophobicContact CE2-CG2 3.82Å; N331-V346 PolarHBondContact O-N 3.18Å; A333-V346 HydrophobicContact CB-CG2 3.68Å; M344-V346 PolarHBondContact O-N 2.94Å
347N81.3Confident85.9Confident72 Ų7236.6 Ų36.639%0.38520%0.197SC..THydrogen-bonded Turntrans-72.8-30.4-176-71.1-25.8000113.9R307 E345R307-N347 PolarHBondContact NH2-O 2.67Å; E345-N347 VanDerWaalsContact C-N 3.31Å; E345-N347 PolarHBondContact O-N 3.47Å
348C74.8Confident85.5Confident18 Ų1844.8 Ų44.812%0.12223%0.23CC..THydrogen-bonded Turntrans-121.8-4.2-176.764.40000113.2E345 R350 S404 L408E345-C348 PolarHBondContact OE2-SG 3.46Å; C348-R350 PolarHBondContact O-N 2.93Å; C348-R350 WeakPolarHBondContact SG-CB 3.35Å; C348-S404 PolarHBondContact O-OG 2.96Å; C348-L408 HydrophobicContact CB-CD1 3.53Å
349G81.1Confident85.2Confident3 Ų350.8 Ų50.83%0.03125%0.249CC..THydrogen-bonded Turntrans6620-176.600000113.5V309 Y310 E345V309-G349 WeakPolarHBondContact O-CA 3.22Å; Y310-G349 WeakPolarHBondContact CD2-O 3.33Å; E345-G349 VanDerWaalsContact O-CA 3.31Å; E345-G349 WeakPolarHBondContact O-CA 3.47Å; E345-G349 PolarHBondContact O-N 2.93Å
350R81.2Confident84.9Confident52 Ų5248.7 Ų48.720%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-82.3130.6-179.4-178.7-176.9172.1169.84.8109.9M344 E345 C348 L352 L394 L396M344-R350 CarbonylContact C-O 3.59Å; M344-R350 VanDerWaalsContact CA-O 3.26Å; M344-R350 WeakPolarHBondContact CA-O 3.48Å; E345-R350 PolarHBondContact N-O 3.26Å; C348-R350 PolarHBondContact O-N 2.93Å; C348-R350 WeakPolarHBondContact SG-CB 3.35Å; R350-L352 PolarHBondContact O-N 3.48Å; R350-L394 PolarHBondContact NH2-O 3.15Å; R350-L396 HydrophobicContact CG-CD2 4.34Å
351E85.3Confident84.6Confident12 Ų1246.2 Ų46.26%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-73.5121.5167-159.5179.961.400109.4Y310 H342 L343 K354Y310-E351 HydrophobicContact CE2-CB 4.02Å; Y310-E351 PolarHBondContact OH-OE2 3.33Å; H342-E351 IonicContact CE1-OE2 2.81Å; H342-E351 IonicContact CG-OE2 2.74Å; H342-E351 IonicContact ND1-OE2 3.21Å; H342-E351 PolarHBondContact ND1-OE2 3Å; L343-E351 CarbonylContact O-C 3.59Å; L343-E351 WeakPolarHBondContact O-CG 3.48Å; E351-K354 VanDerWaalsContact CD-CE 3.49Å; E351-K354 WeakPolarHBondContact OE1-CD 3.45Å; E351-K354 WeakPolarHBondContact OE1-CE 3.39Å; E351-K354 VanDerWaalsContact OE1-CG 3.29Å; E351-K354 WeakPolarHBondContact OE1-CG 3.36Å; E351-K354 IonicContact OE1-NZ 3.9Å; E351-K354 PolarHBondContact OE1-NZ 3.36Å; E351-K354 WeakPolarHBondContact OE2-CE 3.39Å; E351-K354 WeakPolarHBondContact OE2-CG 3.36Å; E351-K354 IonicContact OE2-NZ 2.97Å; E351-K354 PolarHBondContact OE2-NZ 3.47Å
352L85.3Confident84.2Confident38 Ų3847.1 Ų47.120%0.19923%0.23CC..EExtended strand (participates in β ladder)trans-82.9-44.4-179.6-63.3178.2000111F4 T332 L343 E345 R350F4-L352 HydrophobicContact CE2-CB 3.95Å; F4-L352 HydrophobicContact CE2-CD1 4.07Å; F4-L352 HydrophobicContact CZ-CD1 4.08Å; T332-L352 HydrophobicContact CG2-CD1 3.92Å; L343-L352 HydrophobicContact CB-CB 4.25Å; L343-L352 PolarHBondContact O-N 2.84Å; E345-L352 HydrophobicContact CB-CD1 4.27Å; E345-L352 HydrophobicContact CB-CD2 4.11Å; E345-L352 HydrophobicContact CB-CG 4.18Å; R350-L352 PolarHBondContact O-N 3.48Å
353Q87.4Confident84Confident33 Ų3346.6 Ų46.615%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-164.2148.4-179.9-169.3171.1-21.100111.8F4 L343 I355F4-Q353 VanDerWaalsContact CB-OE1 3.29Å; F4-Q353 HydrophobicContact CD2-CB 4.21Å; F4-Q353 PolarHBondContact O-NE2 3.23Å; F4-Q353 PolarHBondContact O-OE1 2.92Å; L343-Q353 HydrophobicContact CD1-CB 4.33Å; L343-Q353 PolarHBondContact N-O 2.89Å; L343-Q353 PolarHBondContact O-N 3.4Å; Q353-I355 HydrophobicContact CG-CG1 3.99Å
354K89.2Confident83.3Confident108 Ų10848.3 Ų48.347%0.4724%0.235SC..EExtended strand (participates in β ladder)trans-107.4130.3164.4-68.6178.6167.5104.90109.8L341 E351L341-K354 CarbonylContact O-C 3.49Å; L341-K354 WeakPolarHBondContact O-CA 3.38Å; E351-K354 VanDerWaalsContact CD-CE 3.49Å; E351-K354 WeakPolarHBondContact OE1-CD 3.45Å; E351-K354 WeakPolarHBondContact OE1-CE 3.39Å; E351-K354 VanDerWaalsContact OE1-CG 3.29Å; E351-K354 WeakPolarHBondContact OE1-CG 3.36Å; E351-K354 IonicContact OE1-NZ 3.9Å; E351-K354 PolarHBondContact OE1-NZ 3.36Å; E351-K354 WeakPolarHBondContact OE2-CE 3.39Å; E351-K354 WeakPolarHBondContact OE2-CG 3.36Å; E351-K354 IonicContact OE2-NZ 2.97Å; E351-K354 PolarHBondContact OE2-NZ 3.47Å
355I88.1Confident82.4Confident25 Ų2551.3 Ų51.313%0.12825%0.254CS..EExtended strand (participates in β ladder)trans-122.3121.1178.2-55.8176.6000108.5F4 L6 L341 L343 Q353 L357 L384F4-I355 HydrophobicContact CB-CD1 4.36Å; L6-I355 HydrophobicContact CD1-CG2 4.11Å; L341-I355 HydrophobicContact CB-CB 4.27Å; L341-I355 HydrophobicContact CD2-CD1 4.31Å; L341-I355 PolarHBondContact N-O 2.96Å; L341-I355 PolarHBondContact O-N 2.87Å; L343-I355 HydrophobicContact CD1-CD1 4.32Å; Q353-I355 HydrophobicContact CG-CG1 3.99Å; I355-L357 HydrophobicContact CG2-CD2 4.43Å; I355-L357 PolarHBondContact O-N 3.24Å; I355-L384 HydrophobicContact CD1-CD1 4.04Å
356A87.8Confident81.3Confident90 Ų9049.1 Ų49.174%0.74424%0.244SC*.EExtended strand (participates in β ladder)trans-76.3122.4172.600000109.7
357L84.2Confident80Confident20 Ų2053.2 Ų53.211%0.10526%0.263CS..  trans-90.5145.6176.6-54.1179.8000109.8L6 I336 K339 L341 I355 R359 L375L6-L357 HydrophobicContact CD1-CD2 3.65Å; I336-L357 HydrophobicContact CD1-CD1 3.9Å; I336-L357 HydrophobicContact CG1-CD1 4.16Å; I336-L357 HydrophobicContact CG2-CD1 4.2Å; K339-L357 WeakPolarHBondContact O-CA 3.4Å; K339-L357 WeakPolarHBondContact O-CB 3.42Å; K339-L357 PolarHBondContact O-N 3.42Å; L341-L357 HydrophobicContact CB-CD1 4.25Å; L341-L357 HydrophobicContact CB-CD2 4.13Å; L341-L357 HydrophobicContact CB-CG 4.21Å; I355-L357 HydrophobicContact CG2-CD2 4.43Å; I355-L357 PolarHBondContact O-N 3.24Å; L357-R359 VanDerWaalsContact C-N 3.28Å; L357-R359 WeakPolarHBondContact CB-O 3.45Å; L357-R359 PolarHBondContact O-N 3.18Å; L357-L375 HydrophobicContact CD1-CD2 4.35Å; L357-L375 HydrophobicContact CD2-CD2 3.78Å
358K79.4Confident78.7Confident195 Ų19553.6 Ų53.685%0.84828%0.276SS*.SBendtrans-63.9-37.3175.6-66.6179.7-179.3173.50111.5
359R76.3Confident77.9Confident139 Ų13956.3 Ų56.353%0.52529%0.289SS..SBendtrans-142.9175.2179.6-64.7-166.1179.4-151.60.1109.9L357 E378L357-R359 VanDerWaalsContact C-N 3.28Å; L357-R359 WeakPolarHBondContact CB-O 3.45Å; L357-R359 PolarHBondContact O-N 3.18Å; R359-E378 WeakPolarHBondContact CD-OE2 3.2Å; R359-E378 IonicContact CZ-OE2 2.8Å; R359-E378 IonicContact NE-OE2 2.89Å; R359-E378 IonicContact NH1-OE1 3.3Å; R359-E378 IonicContact NH1-OE2 3.71Å; R359-E378 PolarHBondContact NH1-OE2 3.35Å
360E78.8Confident76.7Confident74 Ų7464.2 Ų64.235%0.34632%0.318SS..  trans-63.5153.9172.5-60.9-178.3176.300110H323 K339H323-E360 HydrophobicContact CB-CG 4.42Å; H323-E360 VanDerWaalsContact CB-OE2 3.31Å; H323-E360 WeakPolarHBondContact CB-OE2 3.33Å; H323-E360 IonicContact CG-OE2 3.15Å; K339-E360 HydrophobicContact CG-CG 4.43Å
361G80.4Confident75.8Confident0 Ų070.7 Ų70.70%034%0.342CS..EExtended strand (participates in β ladder)trans-153.3165.3179.900000111.5H323 I336 L376H323-G361 PolarHBondContact CE1-O 3.44Å; H323-G361 PolarHBondContact ND1-O 2.95Å; I336-G361 WeakPolarHBondContact CD1-O 3.19Å; G361-L376 CarbonylContact C-O 3.58Å; G361-L376 WeakPolarHBondContact CA-O 3.33Å
362L82.9Confident75.1Confident19 Ų1971.5 Ų71.510%0.09935%0.348CS..EExtended strand (participates in β ladder)trans-118.3130.7-177.6-171.963.8000110.4L37 S325 Y364 L376L37-L362 HydrophobicContact CB-CB 4.34Å; L37-L362 HydrophobicContact CB-CD2 4.15Å; L37-L362 WeakPolarHBondContact O-CD2 3.48Å; S325-L362 WeakPolarHBondContact OG-CD1 3.44Å; L362-Y364 HydrophobicContact CB-CE2 3.87Å; L362-Y364 HydrophobicContact CD2-CE1 3.92Å; L362-Y364 HydrophobicContact CD2-CE2 3.67Å; L362-Y364 WeakPolarHBondContact CD2-OH 3.44Å; L362-Y364 HydrophobicContact CG-CD2 4.35Å; L362-Y364 HydrophobicContact CG-CE1 4.33Å; L362-Y364 HydrophobicContact CG-CE2 3.64Å; L362-L376 PolarHBondContact N-O 3.08Å; L362-L376 PolarHBondContact O-N 2.58Å
363L85.1Confident74.9Confident12 Ų1269.8 Ų69.86%0.06334%0.34CS..EExtended strand (participates in β ladder)trans-89.2139.6177.3-62.3168.7000111S325 C327 A334 I336 L341 F374 L375S325-L363 WeakPolarHBondContact OG-CB 3.48Å; S325-L363 PolarHBondContact OG-N 2.96Å; C327-L363 HydrophobicContact CB-CB 3.53Å; C327-L363 HydrophobicContact CB-CD1 3.97Å; C327-L363 HydrophobicContact CB-CG 4.32Å; A334-L363 VanDerWaalsContact C-CD1 3.47Å; A334-L363 HydrophobicContact CB-CD1 3.65Å; A334-L363 HydrophobicContact CB-CD2 4.35Å; A334-L363 WeakPolarHBondContact O-CD1 3.47Å; I336-L363 HydrophobicContact CD1-CD1 4.16Å; I336-L363 HydrophobicContact CD1-CD2 3.9Å; I336-L363 HydrophobicContact CD1-CG 3.62Å; I336-L363 HydrophobicContact CG1-CD1 3.9Å; I336-L363 HydrophobicContact CG1-CD2 4.36Å; I336-L363 HydrophobicContact CG1-CG 3.95Å; L341-L363 HydrophobicContact CD1-CD1 4.19Å; L341-L363 HydrophobicContact CD1-CD2 4.2Å; L363-F374 CarbonylContact C-O 3.55Å; L363-F374 WeakPolarHBondContact CA-O 3.38Å; L363-L375 HydrophobicContact CD2-CB 4.41Å; L363-L375 HydrophobicContact CD2-CD1 4.19Å
364Y77.4Confident74.7Confident36 Ų3669 Ų6914%0.14134%0.335CS..EExtended strand (participates in β ladder)trans-133.7146.6174.4-61.6-86.9000110.6V40 V42 L362 P373 F374 L376V40-Y364 VanDerWaalsContact C-OH 3.25Å; V40-Y364 WeakPolarHBondContact CB-OH 3.35Å; V40-Y364 PolarHBondContact O-OH 3.39Å; V42-Y364 HydrophobicContact CG2-CD2 4.18Å; V42-Y364 HydrophobicContact CG2-CE2 3.99Å; V42-Y364 HydrophobicContact CG2-CG 4.5Å; L362-Y364 HydrophobicContact CB-CE2 3.87Å; L362-Y364 HydrophobicContact CD2-CE1 3.92Å; L362-Y364 HydrophobicContact CD2-CE2 3.67Å; L362-Y364 WeakPolarHBondContact CD2-OH 3.44Å; L362-Y364 HydrophobicContact CG-CD2 4.35Å; L362-Y364 HydrophobicContact CG-CE1 4.33Å; L362-Y364 HydrophobicContact CG-CE2 3.64Å; Y364-P373 WeakPolarHBondContact O-CA 3.3Å; Y364-F374 PolarHBondContact N-O 3.36Å; Y364-F374 PolarHBondContact O-N 2.93Å; Y364-L376 HydrophobicContact CD2-CB 4.17Å; Y364-L376 HydrophobicContact CE2-CB 3.67Å; Y364-L376 HydrophobicContact CE2-CD2 3.99Å; Y364-L376 HydrophobicContact CE2-CG 4.48Å
365T69.4Low74.5Confident64 Ų6464.1 Ų64.139%0.39332%0.315SS..EExtended strand (participates in β ladder)trans-85.3126.6166.943.70000109.1C327 F328 Q367C327-T365 WeakPolarHBondContact SG-CG2 3.49Å; F328-T365 WeakPolarHBondContact O-CG2 3.45Å; T365-Q367 PolarHBondContact O-N 3.23Å
366N64.8Low74.2Confident19 Ų1963 Ų6310%0.10231%0.309CS..  trans-70.5119.6167.8179-7000108.5P44 A368 D369 R370 F374P44-N366 PolarHBondContact O-OD1 3Å; N366-A368 WeakPolarHBondContact OD1-CA 3.16Å; N366-A368 WeakPolarHBondContact OD1-CB 3.27Å; N366-A368 PolarHBondContact OD1-N 3.4Å; N366-D369 WeakPolarHBondContact CB-O 3.45Å; N366-D369 CarbonylContact O-C 3.52Å; N366-D369 PolarHBondContact OD1-N 2.96Å; N366-D369 VanDerWaalsContact OD1-N 3.08Å; N366-R370 WeakPolarHBondContact O-CA 3Å; N366-R370 PolarHBondContact O-N 3.18Å; N366-F374 HydrophobicContact CB-CD2 4.09Å; N366-F374 HydrophobicContact CB-CE1 4.36Å; N366-F374 HydrophobicContact CB-CE2 3.65Å; N366-F374 HydrophobicContact CB-CZ 3.82Å; N366-F374 WeakPolarHBondContact ND2-CZ 3.49Å
367Q59.8Low73.9Confident89 Ų8959.5 Ų59.542%0.41628%0.279SS..SBendtrans-76.5-28.3179.9-67.1-172.3000112.5P44 T365P44-Q367 HydrophobicContact CB-CB 4.05Å; P44-Q367 HydrophobicContact CG-CB 4.41Å; T365-Q367 PolarHBondContact O-N 3.23Å
368A54.1Low73.1Confident79 Ų7961.5 Ų61.565%0.65329%0.288SS*.SBendtrans-79.2-38.2178.900000112.6N366N366-A368 WeakPolarHBondContact OD1-CA 3.16Å; N366-A368 WeakPolarHBondContact OD1-CB 3.27Å; N366-A368 PolarHBondContact OD1-N 3.4Å
369D57.1Low72.7Confident75 Ų7555.8 Ų55.840%0.40127%0.269SS..SBendtrans-126.189.9172.2-167.8-1.4000110.4N366 R371N366-D369 WeakPolarHBondContact CB-O 3.45Å; N366-D369 CarbonylContact O-C 3.52Å; N366-D369 PolarHBondContact OD1-N 2.96Å; N366-D369 VanDerWaalsContact OD1-N 3.08Å; D369-R371 PolarHBondContact O-N 3Å; D369-R371 WeakPolarHBondContact OD1-CB 2.89Å; D369-R371 WeakPolarHBondContact OD1-CG 3.42Å; D369-R371 PolarHBondContact OD1-N 3.4Å
370R57.6Low72.7Confident169 Ų16949.1 Ų49.164%0.63824%0.244SC*.THydrogen-bonded Turntrans-64.57.7-175.5-62.1-174.9-179.8-173.3-1114.6N366N366-R370 WeakPolarHBondContact O-CA 3Å; N366-R370 PolarHBondContact O-N 3.18Å
371R61.7Low72.9Confident188 Ų18845.8 Ų45.871%0.70923%0.229SC*.THydrogen-bonded Turntrans-96-17.3-169.9-63.9-176.7176.4-174.71.1114.4Y329 V330 D369Y329-R371 WeakPolarHBondContact CD2-O 3.39Å; V330-R371 HydrophobicContact CG2-CB 4.42Å; D369-R371 PolarHBondContact O-N 3Å; D369-R371 WeakPolarHBondContact OD1-CB 2.89Å; D369-R371 WeakPolarHBondContact OD1-CG 3.42Å; D369-R371 PolarHBondContact OD1-N 3.4Å
372T70.8Confident73Confident30 Ų3047.2 Ų47.218%0.18424%0.235CC..SBendtrans-141.4135.6-177.8540000112.3
373P81.7Confident73.1Confident2 Ų248.5 Ų48.51%0.01324%0.241CC..EExtended strand (participates in β ladder)trans-77.1147175.734.3-35.4000110.6Y329 Y364 L384Y329-P373 HydrophobicContact CD1-CB 4.05Å; Y329-P373 HydrophobicContact CD1-CG 3.69Å; Y329-P373 HydrophobicContact CE1-CB 4.36Å; Y329-P373 HydrophobicContact CE1-CG 3.56Å; Y329-P373 HydrophobicContact CE2-CG 4.48Å; Y329-P373 HydrophobicContact CG-CG 4.23Å; Y364-P373 WeakPolarHBondContact O-CA 3.3Å; P373-L384 HydrophobicContact CG-CB 3.82Å; P373-L384 HydrophobicContact CG-CD2 3.76Å; P373-L384 HydrophobicContact CG-CG 4.48Å; P373-L384 PolarHBondContact O-N 3.04Å
374F82.2Confident73Confident15 Ų1548.3 Ų48.37%0.06624%0.24CC..EExtended strand (participates in β ladder)trans-97.3140.7167.1-63.9-24.9000110.6L9 L363 Y364 N366 L381 F382 M383L9-F374 HydrophobicContact CD1-CD1 3.92Å; L9-F374 HydrophobicContact CD1-CE1 3.58Å; L9-F374 HydrophobicContact CD1-CZ 3.96Å; L363-F374 CarbonylContact C-O 3.55Å; L363-F374 WeakPolarHBondContact CA-O 3.38Å; Y364-F374 PolarHBondContact N-O 3.36Å; Y364-F374 PolarHBondContact O-N 2.93Å; N366-F374 HydrophobicContact CB-CD2 4.09Å; N366-F374 HydrophobicContact CB-CE1 4.36Å; N366-F374 HydrophobicContact CB-CE2 3.65Å; N366-F374 HydrophobicContact CB-CZ 3.82Å; N366-F374 WeakPolarHBondContact ND2-CZ 3.49Å; F374-L381 HydrophobicContact CB-CD1 3.97Å; F374-L381 HydrophobicContact CD2-CD2 4.37Å; F374-F382 CarbonylContact C-O 3.44Å; F374-F382 WeakPolarHBondContact CA-O 3.43Å; F374-M383 HydrophobicContact CD1-CB 4.3Å; F374-M383 HydrophobicContact CD1-CG 4.28Å; F374-M383 HydrophobicContact CE1-CB 4.32Å; F374-M383 HydrophobicContact CE1-CE 3.65Å; F374-M383 HydrophobicContact CE1-CG 4.08Å; F374-M383 HydrophobicContact CZ-CE 4.29Å
375L85.6Confident73.1Confident7 Ų747.3 Ų47.34%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-110.8111.5173172.363000108.3L6 I336 L357 L363 F382L6-L375 HydrophobicContact CD1-CD2 3.78Å; L6-L375 HydrophobicContact CD2-CB 4.41Å; L6-L375 HydrophobicContact CD2-CD2 3.87Å; L6-L375 HydrophobicContact CG-CD2 4.49Å; I336-L375 HydrophobicContact CD1-CD1 3.4Å; L357-L375 HydrophobicContact CD1-CD2 4.35Å; L357-L375 HydrophobicContact CD2-CD2 3.78Å; L363-L375 HydrophobicContact CD2-CB 4.41Å; L363-L375 HydrophobicContact CD2-CD1 4.19Å; L375-F382 HydrophobicContact CB-CB 4.19Å; L375-F382 PolarHBondContact N-O 3.47Å; L375-F382 PolarHBondContact O-N 3.02Å
376L82.1Confident73.6Confident2 Ų247.4 Ų47.41%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-86.1123.3167.4-171.672.7000108.6F12 V40 I49 G361 L362 Y364 L381F12-L376 HydrophobicContact CE1-CD1 3.58Å; F12-L376 HydrophobicContact CZ-CD1 3.61Å; F12-L376 HydrophobicContact CZ-CG 4.2Å; V40-L376 HydrophobicContact CB-CD2 4.19Å; V40-L376 HydrophobicContact CG1-CD2 3.58Å; I49-L376 HydrophobicContact CD1-CD1 4.18Å; G361-L376 CarbonylContact C-O 3.58Å; G361-L376 WeakPolarHBondContact CA-O 3.33Å; L362-L376 PolarHBondContact N-O 3.08Å; L362-L376 PolarHBondContact O-N 2.58Å; Y364-L376 HydrophobicContact CD2-CB 4.17Å; Y364-L376 HydrophobicContact CE2-CB 3.67Å; Y364-L376 HydrophobicContact CE2-CD2 3.99Å; Y364-L376 HydrophobicContact CE2-CG 4.48Å; L376-L381 HydrophobicContact CB-CD1 4.35Å; L376-L381 HydrophobicContact CD1-CD1 4.03Å
377S79.6Confident73.8Confident16 Ų1652.6 Ų52.611%0.11226%0.259CS..EExtended strand (participates in β ladder)trans-126.1171.7169.777.50000109.7F12 T379 G380 F382F12-S377 WeakPolarHBondContact CE2-O 3.42Å; F12-S377 WeakPolarHBondContact CZ-O 3.2Å; S377-T379 PolarHBondContact O-N 3.04Å; S377-T379 PolarHBondContact OG-N 2.73Å; S377-T379 PolarHBondContact OG-OG1 2.78Å; S377-G380 PolarHBondContact N-O 3.33Å; S377-G380 PolarHBondContact O-N 3.27Å; S377-G380 VanDerWaalsContact O-N 3.13Å; S377-G380 VanDerWaalsContact O-O 3.12Å; S377-F382 WeakPolarHBondContact OG-CE2 3.23Å
378E68.6Low73.8Confident61 Ų6151.9 Ų51.929%0.28526%0.258SS..THydrogen-bonded Turntrans-58.1-18.3176.8-66.6175.1-156.400114.5F12 R359F12-E378 WeakPolarHBondContact CD2-O 3.48Å; F12-E378 VanDerWaalsContact CE2-C 3.48Å; F12-E378 VanDerWaalsContact CE2-O 3.26Å; F12-E378 WeakPolarHBondContact CE2-O 3.47Å; R359-E378 WeakPolarHBondContact CD-OE2 3.2Å; R359-E378 IonicContact CZ-OE2 2.8Å; R359-E378 IonicContact NE-OE2 2.89Å; R359-E378 IonicContact NH1-OE1 3.3Å; R359-E378 IonicContact NH1-OE2 3.71Å; R359-E378 PolarHBondContact NH1-OE2 3.35Å
379T70.8Confident73.5Confident75 Ų7553.9 Ų53.946%0.4627%0.267SS..THydrogen-bonded Turntrans-94.6-11.2-179.646.80000114.1S377S377-T379 PolarHBondContact O-N 3.04Å; S377-T379 PolarHBondContact OG-N 2.73Å; S377-T379 PolarHBondContact OG-OG1 2.78Å
380G76.6Confident72.7Confident0 Ų055.5 Ų55.50%028%0.28CS..EExtended strand (participates in β ladder)trans148.7-172.6-174.100000113.9S10 S377 F382S10-G380 WeakPolarHBondContact O-CA 3.44Å; S377-G380 PolarHBondContact N-O 3.33Å; S377-G380 PolarHBondContact O-N 3.27Å; S377-G380 VanDerWaalsContact O-N 3.13Å; S377-G380 VanDerWaalsContact O-O 3.12Å; G380-F382 WeakPolarHBondContact O-CD2 3.38Å; G380-F382 WeakPolarHBondContact O-CE2 3.01Å
381L81.8Confident71.8Confident4 Ų451.2 Ų51.22%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-99.3127.5175.9-169.870.2000109.7L9 S10 F374 L376L9-L381 HydrophobicContact CD1-CD2 4.14Å; L9-L381 HydrophobicContact CD1-CG 4.38Å; L9-L381 PolarHBondContact N-O 2.89Å; S10-L381 PolarHBondContact N-O 3.18Å; S10-L381 PolarHBondContact O-N 2.83Å; S10-L381 WeakPolarHBondContact OG-CB 3.43Å; F374-L381 HydrophobicContact CB-CD1 3.97Å; F374-L381 HydrophobicContact CD2-CD2 4.37Å; L376-L381 HydrophobicContact CB-CD1 4.35Å; L376-L381 HydrophobicContact CD1-CD1 4.03Å
382F83.9Confident70.5Confident30 Ų3051.5 Ų51.513%0.13229%0.294CS..EExtended strand (participates in β ladder)trans-118.3142.4-179.3-60.3-96.9000110.1L6 E7 E8 F374 L375 S377 G380L6-F382 HydrophobicContact CB-CB 4.46Å; L6-F382 HydrophobicContact CB-CD1 4.47Å; L6-F382 HydrophobicContact CD2-CB 4.4Å; E7-F382 CarbonylContact O-C 3.53Å; E7-F382 VanDerWaalsContact O-CA 3.23Å; E7-F382 WeakPolarHBondContact O-CA 3.23Å; E8-F382 HydrophobicContact CB-CD1 3.96Å; E8-F382 HydrophobicContact CB-CE1 3.77Å; E8-F382 HydrophobicContact CG-CD1 4.3Å; E8-F382 HydrophobicContact CG-CE1 3.83Å; E8-F382 HydrophobicContact CG-CZ 4.2Å; F374-F382 CarbonylContact C-O 3.44Å; F374-F382 WeakPolarHBondContact CA-O 3.43Å; L375-F382 HydrophobicContact CB-CB 4.19Å; L375-F382 PolarHBondContact N-O 3.47Å; L375-F382 PolarHBondContact O-N 3.02Å; S377-F382 WeakPolarHBondContact OG-CE2 3.23Å; G380-F382 WeakPolarHBondContact O-CD2 3.38Å; G380-F382 WeakPolarHBondContact O-CE2 3.01Å
383M84.7Confident69.1Low46 Ų4655.8 Ų55.823%0.22732%0.32CS..EExtended strand (participates in β ladder)trans-100.1141.2169.1-172.6-174.4-79.100109.4L6 E7 L9 F374L6-M383 CarbonylContact C-O 3.47Å; L6-M383 WeakPolarHBondContact CA-O 3.47Å; E7-M383 PolarHBondContact N-O 3.1Å; E7-M383 PolarHBondContact O-N 3.29Å; L9-M383 HydrophobicContact CD1-CB 3.87Å; L9-M383 HydrophobicContact CD1-CE 4.11Å; L9-M383 HydrophobicContact CD2-CB 4.02Å; L9-M383 HydrophobicContact CD2-CE 3.85Å; L9-M383 HydrophobicContact CG-CB 3.81Å; F374-M383 HydrophobicContact CD1-CB 4.3Å; F374-M383 HydrophobicContact CD1-CG 4.28Å; F374-M383 HydrophobicContact CE1-CB 4.32Å; F374-M383 HydrophobicContact CE1-CE 3.65Å; F374-M383 HydrophobicContact CE1-CG 4.08Å; F374-M383 HydrophobicContact CZ-CE 4.29Å
384L83.6Confident67.2Low8 Ų860.7 Ų60.74%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-87.2109.6168.6-170.974.7000110F4 L6 Y329 L341 L343 I355 P373F4-L384 HydrophobicContact CB-CD1 4.08Å; F4-L384 HydrophobicContact CB-CG 4.47Å; F4-L384 HydrophobicContact CD1-CD2 4.37Å; F4-L384 HydrophobicContact CD1-CG 4.31Å; L6-L384 HydrophobicContact CD2-CB 4.48Å; L6-L384 HydrophobicContact CD2-CD1 3.8Å; L6-L384 HydrophobicContact CG-CD1 4.4Å; Y329-L384 HydrophobicContact CE1-CD2 4.47Å; Y329-L384 VanDerWaalsContact OH-CD2 3.28Å; Y329-L384 WeakPolarHBondContact OH-CD2 3.47Å; L341-L384 HydrophobicContact CD2-CD1 4.3Å; L343-L384 HydrophobicContact CD1-CD1 4.06Å; L343-L384 HydrophobicContact CD1-CD2 3.68Å; L343-L384 HydrophobicContact CD1-CG 4.37Å; L343-L384 HydrophobicContact CD2-CD2 3.5Å; L343-L384 VanDerWaalsContact CD2-CD2 3.5Å; L343-L384 HydrophobicContact CG-CD2 4.24Å; I355-L384 HydrophobicContact CD1-CD1 4.04Å; P373-L384 HydrophobicContact CG-CB 3.82Å; P373-L384 HydrophobicContact CG-CD2 3.76Å; P373-L384 HydrophobicContact CG-CG 4.48Å; P373-L384 PolarHBondContact O-N 3.04Å
385A78.8Confident65.2Low14 Ų1463.5 Ų63.512%0.11638%0.379CS..EExtended strand (participates in β ladder)trans-101.4137.4178.500000111.6F4 V5 E7F4-A385 WeakPolarHBondContact CA-O 3.47Å; V5-A385 PolarHBondContact N-O 3.47Å; V5-A385 PolarHBondContact O-N 3.47Å; E7-A385 VanDerWaalsContact CD-CB 3.46Å; E7-A385 HydrophobicContact CG-CB 3.88Å
386D79.8Confident63.1Low67 Ų6766.2 Ų66.236%0.35839%0.393SS..EExtended strand (participates in β ladder)trans-91.1116169.8-168.3-10.2000108.7R3 F4 D388R3-D386 VanDerWaalsContact CG-OD1 3.23Å; R3-D386 WeakPolarHBondContact CG-OD1 3.45Å; R3-D386 IonicContact CZ-OD2 3.42Å; R3-D386 IonicContact NE-OD1 3.57Å; R3-D386 PolarHBondContact NE-OD1 3.46Å; R3-D386 IonicContact NE-OD2 2.83Å; R3-D386 PolarHBondContact NE-OD2 2.94Å; R3-D386 IonicContact NH2-OD2 3.02Å; R3-D386 PolarHBondContact NH2-OD2 2.84Å; F4-D386 HydrophobicContact CD1-CB 4.04Å; F4-D386 HydrophobicContact CE1-CB 3.77Å; D386-D388 PolarHBondContact OD1-N 2.83Å; D386-D388 VanDerWaalsContact OD1-N 3.16Å
387K70Confident61.5Low127 Ų12768.2 Ų68.255%0.55241%0.408SS*.SBendtrans-81-18.3-178-72.7-167.5170.5-176.70113.5R3 V5R3-K387 PolarHBondContact O-N 3.17Å; V5-K387 HydrophobicContact CB-CD 4.31Å; V5-K387 HydrophobicContact CG2-CD 3.65Å; V5-K387 VanDerWaalsContact CG2-CE 3.47Å; V5-K387 HydrophobicContact CG2-CG 4.22Å
388D58.6Low59.9Low75 Ų7572.8 Ų72.840%0.40144%0.437SS..  trans-115.177.1-174-71.1-34000111R3 D386 T390R3-D388 HydrophobicContact CG-CB 4.44Å; D386-D388 PolarHBondContact OD1-N 2.83Å; D386-D388 VanDerWaalsContact OD1-N 3.16Å; D388-T390 PolarHBondContact O-N 3.17Å; D388-T390 VanDerWaalsContact O-N 3.11Å
389S48.2Very low58.7Low120 Ų12073.7 Ų73.784%0.83946%0.455SS*.  trans-703169.856.50000113.7
390T40Very low57.8Low110 Ų11073.3 Ų73.368%0.67545%0.448SS*.SBendtrans-113.171.6175.757.60000112.2D388 K392D388-T390 PolarHBondContact O-N 3.17Å; D388-T390 VanDerWaalsContact O-N 3.11Å; T390-K392 VanDerWaalsContact C-N 3.28Å; T390-K392 PolarHBondContact O-N 3.24Å
391G39.3Very low56.6Low78 Ų7873.8 Ų73.880%0.80445%0.451SS*.  trans45.517137.900000122.2
392K34.8Very low55.4Low194 Ų19478.5 Ų78.584%0.84348%0.476SS*.  trans-95.3113.2175.5-90.5-175.4176.8177.90111.4T390 L394T390-K392 VanDerWaalsContact C-N 3.28Å; T390-K392 PolarHBondContact O-N 3.24Å; K392-L394 PolarHBondContact O-N 2.74Å
393V39.8Very low54.2Low121 Ų12180 Ų8073%0.73348%0.484SS*.  trans-66.1110.8175.2-177.10000109.1
394L42.9Very low53.1Low104 Ų10478 Ų7855%0.54547%0.474SS..PPolyproline II helixtrans-66.3137.7168.3-75.9162.9000109.3R350 K392R350-L394 PolarHBondContact NH2-O 3.15Å; K392-L394 PolarHBondContact O-N 2.74Å
395G39.8Very low52.2Low75 Ų7577.7 Ų77.777%0.77347%0.473SS*.PPolyproline II helixtrans-60.3142.9-178.600000112.9
396L42.3Very low51.8Low63 Ų6379.8 Ų79.833%0.3349%0.49SS..PPolyproline II helixtrans-73140.9179.5-72.1158.3000111R350 L455R350-L396 HydrophobicContact CG-CD2 4.34Å; L396-L455 HydrophobicContact CD1-CD2 4.46Å
397S47.4Very low51.4Low45 Ų4576.9 Ų76.932%0.31548%0.475SS..PPolyproline II helixtrans-77.2149.9162.4740000110.1A399 E400 S401S397-A399 PolarHBondContact O-N 3.16Å; S397-A399 VanDerWaalsContact O-N 3.17Å; S397-E400 PolarHBondContact O-N 3.43Å; S397-E400 VanDerWaalsContact OG-CG 3.29Å; S397-E400 WeakPolarHBondContact OG-CG 3.47Å; S397-E400 PolarHBondContact OG-OE2 3.15Å; S397-S401 PolarHBondContact O-N 3.45Å
398P45.6Very low51.6Low112 Ų11272.3 Ų72.373%0.72746%0.456SS*.Hα-helixtrans-64-22.9-172.5-2232000115.3S401P398-S401 PolarHBondContact O-OG 3.47Å
399A45.2Very low52.5Low79 Ų7969.2 Ų69.265%0.65344%0.44SS*.Hα-helixtrans-82.4-32.2178.700000112.1S397S397-A399 PolarHBondContact O-N 3.16Å; S397-A399 VanDerWaalsContact O-N 3.17Å
400E50.3Low53.8Low67 Ų6764.3 Ų64.331%0.31340%0.404SS..Hα-helixtrans-80-26.6-178.7-69.8164.6172.100112.4S397 S404S397-E400 PolarHBondContact O-N 3.43Å; S397-E400 VanDerWaalsContact OG-CG 3.29Å; S397-E400 WeakPolarHBondContact OG-CG 3.47Å; S397-E400 PolarHBondContact OG-OE2 3.15Å; E400-S404 PolarHBondContact O-N 3.24Å
401S52.3Low55.6Low11 Ų1160 Ų608%0.07738%0.38CS..Hα-helixtrans-67.1-39.8178.4700000112.9S397 P398 Q403 G405 N456S397-S401 PolarHBondContact O-N 3.45Å; P398-S401 PolarHBondContact O-OG 3.47Å; S401-Q403 PolarHBondContact O-N 3.21Å; S401-G405 PolarHBondContact O-N 3.43Å; S401-N456 PolarHBondContact OG-OD1 3.35Å
402N56.1Low57.7Low102 Ų10257.2 Ų57.255%0.54535%0.346SS..Hα-helixtrans-66.5-37.6-177.7-80.6-23.9000112.5A406 N456N402-A406 PolarHBondContact O-N 3.39Å; N402-N456 PolarHBondContact OD1-OD1 3.06Å
403Q59.6Low59.9Low61 Ų6148.6 Ų48.629%0.28531%0.309SS..Hα-helixtrans-77.1-41.9-178.2-165.8175.8-13.200112.2K311 S401 G405 A406 V407K311-Q403 VanDerWaalsContact CA-NE2 3.32Å; K311-Q403 PolarHBondContact O-NE2 3.09Å; S401-Q403 PolarHBondContact O-N 3.21Å; Q403-G405 VanDerWaalsContact C-N 3.32Å; Q403-G405 PolarHBondContact O-N 3.1Å; Q403-A406 PolarHBondContact O-N 3.18Å; Q403-V407 PolarHBondContact O-N 2.99Å
404S60.8Low61.8Low5 Ų543.5 Ų43.54%0.03528%0.277CS..Hα-helixtrans-62.9-39.5172.5178.50000111.4C348 E400 A406 V407 L408C348-S404 PolarHBondContact O-OG 2.96Å; E400-S404 PolarHBondContact O-N 3.24Å; S404-A406 VanDerWaalsContact C-N 3.33Å; S404-A406 PolarHBondContact O-N 3.05Å; S404-V407 PolarHBondContact O-N 3.34Å; S404-L408 WeakPolarHBondContact O-CB 3.39Å; S404-L408 PolarHBondContact O-N 3.1Å
405G64.6Low63.7Low1 Ų144.3 Ų44.31%0.0128%0.278CS..Hα-helixtrans-61.2-36.3175.900000114S401 Q403 V409S401-G405 PolarHBondContact O-N 3.43Å; Q403-G405 VanDerWaalsContact C-N 3.32Å; Q403-G405 PolarHBondContact O-N 3.1Å; G405-V409 WeakPolarHBondContact O-CB 3.5Å; G405-V409 WeakPolarHBondContact O-CG2 3.29Å; G405-V409 PolarHBondContact O-N 3.4Å
406A71.1Confident65.8Low58 Ų5841.3 Ų41.348%0.47925%0.246SC..Hα-helixtrans-68.2-42.5176.700000112.5N402 Q403 S404 V409 E410N402-A406 PolarHBondContact O-N 3.39Å; Q403-A406 PolarHBondContact O-N 3.18Å; S404-A406 VanDerWaalsContact C-N 3.33Å; S404-A406 PolarHBondContact O-N 3.05Å; A406-V409 PolarHBondContact O-N 3.09Å; A406-E410 PolarHBondContact O-N 3.48Å; A406-E410 VanDerWaalsContact O-N 3.16Å
407V70.8Confident67.6Low6 Ų638.6 Ų38.64%0.03623%0.232CC..Hα-helixtrans-65.5-41.3177.2172.30000111.2R308 Q403 S404 E410 A411R308-V407 WeakPolarHBondContact O-CG1 3.47Å; Q403-V407 PolarHBondContact O-N 2.99Å; S404-V407 PolarHBondContact O-N 3.34Å; V407-E410 PolarHBondContact O-N 2.91Å; V407-A411 PolarHBondContact O-N 3.5Å
408L74.1Confident69.1Low31 Ų3139.4 Ų39.416%0.16223%0.23CC..Hα-helixtrans-66.8-41.2179.4-143.6110.9000111.8C348 S404 E410 A411 I412 L451 L455C348-L408 HydrophobicContact CB-CD1 3.53Å; S404-L408 WeakPolarHBondContact O-CB 3.39Å; S404-L408 PolarHBondContact O-N 3.1Å; L408-E410 VanDerWaalsContact C-N 3.31Å; L408-E410 PolarHBondContact O-N 3.15Å; L408-A411 WeakPolarHBondContact O-CB 3.4Å; L408-A411 PolarHBondContact O-N 3.27Å; L408-I412 WeakPolarHBondContact O-CG1 3.47Å; L408-I412 PolarHBondContact O-N 3.34Å; L408-I412 VanDerWaalsContact O-N 3.11Å; L408-L451 HydrophobicContact CD2-CB 3.77Å; L408-L451 HydrophobicContact CD2-CD1 3.8Å; L408-L451 HydrophobicContact CD2-CD2 4.02Å; L408-L451 HydrophobicContact CD2-CG 4.07Å; L408-L455 HydrophobicContact CB-CD1 4.32Å; L408-L455 HydrophobicContact CD1-CD1 4.42Å; L408-L455 HydrophobicContact CD2-CD1 4.15Å
409V76.8Confident70.9Confident11 Ų1139.4 Ų39.47%0.06722%0.216CC..Hα-helixtrans-60.2-43.3175.3165.90000111.1G405 A406 A411 I412 F413 A448 R452G405-V409 WeakPolarHBondContact O-CB 3.5Å; G405-V409 WeakPolarHBondContact O-CG2 3.29Å; G405-V409 PolarHBondContact O-N 3.4Å; A406-V409 PolarHBondContact O-N 3.09Å; V409-A411 PolarHBondContact O-N 3.41Å; V409-I412 PolarHBondContact O-N 3.19Å; V409-F413 HydrophobicContact CG1-CD2 4.17Å; V409-F413 HydrophobicContact CG1-CE2 3.9Å; V409-F413 VanDerWaalsContact O-CD2 3.22Å; V409-F413 WeakPolarHBondContact O-CD2 3.49Å; V409-F413 PolarHBondContact O-N 2.76Å; V409-A448 HydrophobicContact CB-CB 4.36Å; V409-A448 HydrophobicContact CG1-CB 3.81Å; V409-A448 HydrophobicContact CG2-CB 3.98Å; V409-R452 HydrophobicContact CG2-CB 4.31Å
410E77.3Confident72.7Confident16 Ų1638.8 Ų38.88%0.07520%0.197CC..Hα-helixtrans-63.2-41.4177.1-168.3158.8-137.700112.3R308 A406 V407 L408 I412 F413 E414R308-E410 IonicContact CZ-OE1 3.74Å; R308-E410 IonicContact CZ-OE2 2.74Å; R308-E410 IonicContact NE-OE1 2.77Å; R308-E410 IonicContact NE-OE2 2.75Å; R308-E410 PolarHBondContact NE-OE2 2.65Å; R308-E410 IonicContact NH2-OE1 3.24Å; R308-E410 PolarHBondContact NH2-OE1 3.25Å; R308-E410 IonicContact NH2-OE2 2.82Å; R308-E410 PolarHBondContact NH2-OE2 3.24Å; A406-E410 PolarHBondContact O-N 3.48Å; A406-E410 VanDerWaalsContact O-N 3.16Å; V407-E410 PolarHBondContact O-N 2.91Å; L408-E410 VanDerWaalsContact C-N 3.31Å; L408-E410 PolarHBondContact O-N 3.15Å; E410-I412 VanDerWaalsContact C-N 3.3Å; E410-I412 PolarHBondContact O-N 3.25Å; E410-F413 PolarHBondContact O-N 3.33Å; E410-F413 VanDerWaalsContact O-N 3.14Å; E410-E414 WeakPolarHBondContact O-CG 3.46Å; E410-E414 PolarHBondContact O-N 3.23Å
411A76.8Confident74.1Confident21 Ų2138.3 Ų38.317%0.17420%0.195CC..Hα-helixtrans-60.3-35.8176.200000113.3V407 L408 V409 F413 E414 E415V407-A411 PolarHBondContact O-N 3.5Å; L408-A411 WeakPolarHBondContact O-CB 3.4Å; L408-A411 PolarHBondContact O-N 3.27Å; V409-A411 PolarHBondContact O-N 3.41Å; A411-F413 VanDerWaalsContact C-N 3.34Å; A411-F413 PolarHBondContact O-N 3.48Å; A411-E414 PolarHBondContact O-N 3.37Å; A411-E415 WeakPolarHBondContact O-CB 3.36Å; A411-E415 PolarHBondContact O-N 3.43Å
412I83.1Confident75.4Confident19 Ų1945.6 Ų45.610%0.09723%0.228CC..Hα-helixtrans-61.8-44.1175.5-66.2159.6000111L408 V409 E410 E415 A416 P444 L447 A448 L451L408-I412 WeakPolarHBondContact O-CG1 3.47Å; L408-I412 PolarHBondContact O-N 3.34Å; L408-I412 VanDerWaalsContact O-N 3.11Å; V409-I412 PolarHBondContact O-N 3.19Å; E410-I412 VanDerWaalsContact C-N 3.3Å; E410-I412 PolarHBondContact O-N 3.25Å; I412-E415 PolarHBondContact O-N 3.05Å; I412-A416 WeakPolarHBondContact O-CB 3.37Å; I412-A416 PolarHBondContact O-N 2.86Å; I412-P444 HydrophobicContact CG2-CB 4.14Å; I412-L447 HydrophobicContact CD1-CG 4.25Å; I412-L447 HydrophobicContact CG1-CD2 4.46Å; I412-L447 HydrophobicContact CG1-CG 4.46Å; I412-L447 HydrophobicContact CG2-CB 4.2Å; I412-L447 HydrophobicContact CG2-CD2 3.92Å; I412-L447 HydrophobicContact CG2-CG 4.16Å; I412-A448 VanDerWaalsContact CD1-CA 3.49Å; I412-A448 HydrophobicContact CD1-CB 4.05Å; I412-L451 HydrophobicContact CD1-CB 4.21Å; I412-L451 HydrophobicContact CD1-CD1 3.39Å; I412-L451 HydrophobicContact CD1-CG 4.36Å; I412-L451 HydrophobicContact CG1-CD1 3.97Å
413F82.4Confident76.4Confident13 Ų1348.8 Ų48.86%0.05723%0.232CC..Hα-helixtrans-70.9-34.2178.8-74-79.1000111.9V409 E410 A411 A416 C417 V432 L435 K436 P444 I445 A448V409-F413 HydrophobicContact CG1-CD2 4.17Å; V409-F413 HydrophobicContact CG1-CE2 3.9Å; V409-F413 VanDerWaalsContact O-CD2 3.22Å; V409-F413 WeakPolarHBondContact O-CD2 3.49Å; V409-F413 PolarHBondContact O-N 2.76Å; E410-F413 PolarHBondContact O-N 3.33Å; E410-F413 VanDerWaalsContact O-N 3.14Å; A411-F413 VanDerWaalsContact C-N 3.34Å; A411-F413 PolarHBondContact O-N 3.48Å; F413-A416 PolarHBondContact O-N 3.47Å; F413-C417 PolarHBondContact O-N 3.42Å; F413-C417 PolarHBondContact O-SG 2.94Å; F413-V432 HydrophobicContact CB-CB 4.39Å; F413-V432 HydrophobicContact CB-CG1 3.71Å; F413-V432 HydrophobicContact CB-CG2 4.13Å; F413-V432 HydrophobicContact CG-CG1 4.42Å; F413-L435 HydrophobicContact CD1-CB 4.3Å; F413-L435 HydrophobicContact CD1-CD2 4.46Å; F413-K436 HydrophobicContact CD1-CG 4.14Å; F413-K436 HydrophobicContact CD2-CG 4.45Å; F413-K436 HydrophobicContact CE1-CG 4.07Å; F413-K436 HydrophobicContact CE2-CG 4.4Å; F413-K436 HydrophobicContact CG-CG 4.35Å; F413-K436 HydrophobicContact CZ-CG 4.21Å; F413-P444 HydrophobicContact CD1-CB 4.11Å; F413-P444 HydrophobicContact CE1-CB 4.03Å; F413-P444 HydrophobicContact CE1-CG 4.33Å; F413-I445 HydrophobicContact CE1-CG1 4.09Å; F413-I445 HydrophobicContact CZ-CG1 4.01Å; F413-A448 HydrophobicContact CE2-CB 3.94Å; F413-A448 HydrophobicContact CZ-CB 4.44Å
414E79.3Confident77Confident13 Ų1348.3 Ų48.36%0.06124%0.236CC..Hα-helixtrans-62.2-45172.3-70.3172.8-178.700111.4R307 E410 A411 C417 K418 V432R307-E414 WeakPolarHBondContact CD-OE2 3.24Å; R307-E414 IonicContact NE-OE2 3.41Å; E410-E414 WeakPolarHBondContact O-CG 3.46Å; E410-E414 PolarHBondContact O-N 3.23Å; A411-E414 PolarHBondContact O-N 3.37Å; E414-C417 VanDerWaalsContact O-CB 3.3Å; E414-C417 WeakPolarHBondContact O-CB 3.39Å; E414-C417 PolarHBondContact O-N 3.34Å; E414-K418 PolarHBondContact O-N 2.83Å; E414-V432 HydrophobicContact CB-CG2 4.49Å; E414-V432 HydrophobicContact CG-CG2 3.78Å
415E82.6Confident77.5Confident122 Ų12257 Ų5757%0.5728%0.281SS*.Hα-helixtrans-66.9-39.3177.4-164.159-14500111.3A411 I412 C417 K418 Y419A411-E415 WeakPolarHBondContact O-CB 3.36Å; A411-E415 PolarHBondContact O-N 3.43Å; I412-E415 PolarHBondContact O-N 3.05Å; E415-C417 VanDerWaalsContact C-N 3.33Å; E415-C417 PolarHBondContact O-N 2.89Å; E415-K418 PolarHBondContact O-N 3.33Å; E415-Y419 WeakPolarHBondContact O-CB 3.3Å; E415-Y419 PolarHBondContact O-N 3.26Å
416A84.3Confident77.5Confident11 Ų1159.6 Ų59.69%0.09130%0.299CS..Hα-helixtrans-61.3-42172.600000111.6I412 F413 K418 Y419 Y420 L435 P444I412-A416 WeakPolarHBondContact O-CB 3.37Å; I412-A416 PolarHBondContact O-N 2.86Å; F413-A416 PolarHBondContact O-N 3.47Å; A416-K418 VanDerWaalsContact C-N 3.34Å; A416-K418 PolarHBondContact O-N 3.43Å; A416-Y419 PolarHBondContact O-N 2.77Å; A416-Y420 HydrophobicContact CB-CD2 4.21Å; A416-Y420 HydrophobicContact CB-CE2 4.09Å; A416-Y420 WeakPolarHBondContact O-CB 3.37Å; A416-Y420 WeakPolarHBondContact O-CD2 3.46Å; A416-Y420 PolarHBondContact O-N 2.97Å; A416-L435 HydrophobicContact CB-CD1 4.41Å; A416-P444 HydrophobicContact CB-CB 3.82Å; A416-P444 HydrophobicContact CB-CG 4.15Å
417C80Confident77.1Confident6 Ų662.8 Ų62.84%0.04132%0.317CS..Hα-helixtrans-54.5-50.7172.2-76.30000111.1F413 E414 E415 Q421 L430 V432 L435F413-C417 PolarHBondContact O-N 3.42Å; F413-C417 PolarHBondContact O-SG 2.94Å; E414-C417 VanDerWaalsContact O-CB 3.3Å; E414-C417 WeakPolarHBondContact O-CB 3.39Å; E414-C417 PolarHBondContact O-N 3.34Å; E415-C417 VanDerWaalsContact C-N 3.33Å; E415-C417 PolarHBondContact O-N 2.89Å; C417-Q421 WeakPolarHBondContact O-CB 3.47Å; C417-Q421 PolarHBondContact O-N 2.87Å; C417-L430 PolarHBondContact SG-O 3.31Å; C417-V432 PolarHBondContact SG-N 3.08Å; C417-V432 VanDerWaalsContact SG-N 3.36Å; C417-L435 HydrophobicContact CB-CD1 4.22Å; C417-L435 WeakPolarHBondContact SG-CD1 3.38Å
418K78.2Confident77.1Confident62 Ų6267.3 Ų67.327%0.2735%0.346SS..Hα-helixtrans-60-50.1179.2-68.5179.4-175.6-173.20111.3D303 E414 E415 A416 Y420 Q421 Q422D303-K418 VanDerWaalsContact OD2-CE 3.23Å; D303-K418 WeakPolarHBondContact OD2-CE 3.32Å; D303-K418 IonicContact OD2-NZ 3.68Å; D303-K418 PolarHBondContact OD2-NZ 2.89Å; D303-K418 VanDerWaalsContact OD2-NZ 3.11Å; E414-K418 PolarHBondContact O-N 2.83Å; E415-K418 PolarHBondContact O-N 3.33Å; A416-K418 VanDerWaalsContact C-N 3.34Å; A416-K418 PolarHBondContact O-N 3.43Å; K418-Y420 PolarHBondContact O-N 2.67Å; K418-Q421 PolarHBondContact O-N 3.47Å; K418-Q422 VanDerWaalsContact O-CG 3.32Å; K418-Q422 WeakPolarHBondContact O-CG 3.36Å; K418-Q422 PolarHBondContact O-N 3Å
419Y83.1Confident76.8Confident113 Ų11371 Ų7144%0.44336%0.362SS..Hα-helixtrans-58-48.4-179.5178.9-92.4000112.7E415 A416 R423E415-Y419 WeakPolarHBondContact O-CB 3.3Å; E415-Y419 PolarHBondContact O-N 3.26Å; A416-Y419 PolarHBondContact O-N 2.77Å; Y419-R423 PolarHBondContact OH-NH1 3.22Å
420Y83Confident76.7Confident65 Ų6572.8 Ų72.826%0.25537%0.371SS..Hα-helixtrans-74.6-36.4-179.4-69.4-58.2000112.2A416 K418 Q422 R423 S424 L430 L435 F441A416-Y420 HydrophobicContact CB-CD2 4.21Å; A416-Y420 HydrophobicContact CB-CE2 4.09Å; A416-Y420 WeakPolarHBondContact O-CB 3.37Å; A416-Y420 WeakPolarHBondContact O-CD2 3.46Å; A416-Y420 PolarHBondContact O-N 2.97Å; K418-Y420 PolarHBondContact O-N 2.67Å; Y420-Q422 VanDerWaalsContact C-N 3.35Å; Y420-Q422 PolarHBondContact O-N 3.22Å; Y420-R423 CarbonylContact O-C 3.55Å; Y420-R423 PolarHBondContact O-N 2.93Å; Y420-R423 VanDerWaalsContact O-N 3.16Å; Y420-S424 PolarHBondContact O-N 3.42Å; Y420-L430 HydrophobicContact CD2-CD2 4.33Å; Y420-L430 HydrophobicContact CG-CD2 4.41Å; Y420-L435 HydrophobicContact CD2-CD2 4.49Å; Y420-L435 HydrophobicContact CE2-CD2 4.45Å; Y420-F441 HydrophobicContact CD1-CD1 4.45Å; Y420-F441 HydrophobicContact CD1-CE1 4.11Å; Y420-F441 HydrophobicContact CD2-CD1 4.11Å; Y420-F441 HydrophobicContact CD2-CE1 4.18Å; Y420-F441 AromaticContact CE1-CD1 3.98Å; Y420-F441 HydrophobicContact CE1-CD1 3.98Å; Y420-F441 HydrophobicContact CE1-CE1 4.02Å; Y420-F441 HydrophobicContact CE2-CB 4.39Å; Y420-F441 AromaticContact CE2-CD1 3.61Å; Y420-F441 HydrophobicContact CE2-CD1 3.61Å; Y420-F441 HydrophobicContact CE2-CE1 4.11Å; Y420-F441 HydrophobicContact CE2-CG 4.12Å; Y420-F441 HydrophobicContact CG-CE1 4.21Å; Y420-F441 AromaticContact CZ-CD1 3.54Å
421Q80.3Confident76.7Confident57 Ų5774.1 Ų74.127%0.26638%0.38SS..Hα-helixtrans-63-41.2177.8-169.468.84500111.7C417 K418 R423 S424 T428C417-Q421 WeakPolarHBondContact O-CB 3.47Å; C417-Q421 PolarHBondContact O-N 2.87Å; K418-Q421 PolarHBondContact O-N 3.47Å; Q421-R423 PolarHBondContact O-N 3.15Å; Q421-S424 PolarHBondContact O-N 2.97Å; Q421-T428 PolarHBondContact NE2-O 3.23Å; Q421-T428 PolarHBondContact OE1-O 3.39Å
422Q79.1Confident76.6Confident164 Ų16474 Ų7477%0.76638%0.377SS*.Hα-helixtrans-60.8-26.2176.9-76.11770.900113.3K418 Y420K418-Q422 VanDerWaalsContact O-CG 3.32Å; K418-Q422 WeakPolarHBondContact O-CG 3.36Å; K418-Q422 PolarHBondContact O-N 3Å; Y420-Q422 VanDerWaalsContact C-N 3.35Å; Y420-Q422 PolarHBondContact O-N 3.22Å
423R77.2Confident76.2Confident170 Ų17079.3 Ų79.364%0.64240%0.402SS*.Hα-helixtrans-101.2-6.6-178.6-69-179.7135.1107.6-3.9113.4Y419 Y420 Q421Y419-R423 PolarHBondContact OH-NH1 3.22Å; Y420-R423 CarbonylContact O-C 3.55Å; Y420-R423 PolarHBondContact O-N 2.93Å; Y420-R423 VanDerWaalsContact O-N 3.16Å; Q421-R423 PolarHBondContact O-N 3.15Å
424S72.4Confident75.8Confident50 Ų5081.4 Ų81.435%0.3542%0.418SS..  trans-80.4135.4179.6-169.80000110.4Y420 Q421 S426Y420-S424 PolarHBondContact O-N 3.42Å; Q421-S424 PolarHBondContact O-N 2.97Å; S424-S426 VanDerWaalsContact C-N 3.26Å; S424-S426 PolarHBondContact OG-N 3.05Å; S424-S426 VanDerWaalsContact OG-N 3.08Å; S424-S426 PolarHBondContact OG-OG 3.3Å
425L70.3Confident75.5Confident187 Ų18780.8 Ų80.898%0.97942%0.415SS*.SBendtrans-82-8166.8-64173.8000112
426S65.9Low75.2Confident56 Ų5679.5 Ų79.539%0.39241%0.407SS..  trans-81.3138.7176.576.50000111.3S424 T428S424-S426 VanDerWaalsContact C-N 3.26Å; S424-S426 PolarHBondContact OG-N 3.05Å; S424-S426 VanDerWaalsContact OG-N 3.08Å; S424-S426 PolarHBondContact OG-OG 3.3Å; S426-T428 PolarHBondContact O-N 3.15Å
427S62Low74.6Confident125 Ų12587.5 Ų87.587%0.87444%0.44SS*.  trans-76.6-5.4171.255.90000113Q429S427-Q429 PolarHBondContact O-N 3.04Å
428T70.3Confident73.7Confident102 Ų10289.2 Ų89.263%0.62646%0.459SS*.SBendtrans-73125.5179.2-37.30000109.7Q421 S426 L430Q421-T428 PolarHBondContact NE2-O 3.23Å; Q421-T428 PolarHBondContact OE1-O 3.39Å; S426-T428 PolarHBondContact O-N 3.15Å; T428-L430 PolarHBondContact O-N 3.47Å
429Q69.5Low72.9Confident109 Ų10988 Ų8851%0.50946%0.463SS..PPolyproline II helixtrans-73.3121.3-179.5-165.3176.212.600110.6S427S427-Q429 PolarHBondContact O-N 3.04Å
430L74.3Confident71.8Confident48 Ų4892.8 Ų92.825%0.25148%0.481SS..PPolyproline II helixtrans-76.7120.2174.8-157.478.6000108.8C417 Y420 T428 L435C417-L430 PolarHBondContact SG-O 3.31Å; Y420-L430 HydrophobicContact CD2-CD2 4.33Å; Y420-L430 HydrophobicContact CG-CD2 4.41Å; T428-L430 PolarHBondContact O-N 3.47Å; L430-L435 HydrophobicContact CD2-CD1 3.38Å; L430-L435 HydrophobicContact CD2-CG 4Å; L430-L435 HydrophobicContact CG-CD1 3.91Å; L430-L435 HydrophobicContact CG-CG 4.38Å
431T75.7Confident71.2Confident44 Ų4492.7 Ų92.727%0.2748%0.482SS..  trans-105.8155.7-179.864.70000110.6E433 S434 L435T431-E433 PolarHBondContact O-N 3.42Å; T431-S434 PolarHBondContact N-OG 3.04Å; T431-S434 VanDerWaalsContact N-OG 3.13Å; T431-S434 PolarHBondContact O-N 2.81Å; T431-S434 VanDerWaalsContact O-N 3.09Å; T431-S434 PolarHBondContact O-OG 3.19Å; T431-S434 PolarHBondContact OG1-N 3.01Å; T431-S434 PolarHBondContact OG1-OG 3.08Å; T431-L435 PolarHBondContact O-N 2.86Å
432V76.1Confident70.9Confident18 Ų1895.6 Ų95.611%0.10950%0.496CS..Hα-helixtrans-56.5-36.2176.31700000110.9F413 E414 C417 K436F413-V432 HydrophobicContact CB-CB 4.39Å; F413-V432 HydrophobicContact CB-CG1 3.71Å; F413-V432 HydrophobicContact CB-CG2 4.13Å; F413-V432 HydrophobicContact CG-CG1 4.42Å; E414-V432 HydrophobicContact CB-CG2 4.49Å; E414-V432 HydrophobicContact CG-CG2 3.78Å; C417-V432 PolarHBondContact SG-N 3.08Å; C417-V432 VanDerWaalsContact SG-N 3.36Å; V432-K436 HydrophobicContact CG1-CD 3.91Å; V432-K436 VanDerWaalsContact CG1-CE 3.49Å; V432-K436 HydrophobicContact CG1-CG 4.46Å; V432-K436 WeakPolarHBondContact O-CB 3.03Å; V432-K436 VanDerWaalsContact O-CG 3.27Å; V432-K436 WeakPolarHBondContact O-CG 3.44Å; V432-K436 PolarHBondContact O-N 3.25Å
433E74.6Confident70.9Confident131 Ų13190.9 Ų90.961%0.61248%0.484SS*.Hα-helixtrans-68-40.5177.3-64.9-177.6-171.300112.9T431 L435 K436 K437T431-E433 PolarHBondContact O-N 3.42Å; E433-L435 VanDerWaalsContact C-N 3.33Å; E433-K436 PolarHBondContact O-N 3.2Å; E433-K437 WeakPolarHBondContact O-CB 3.32Å; E433-K437 WeakPolarHBondContact O-CG 3.36Å; E433-K437 PolarHBondContact O-N 3.12Å
434S72.7Confident71Confident56 Ų5683 Ų8339%0.39246%0.456SS..Hα-helixtrans-68.3-36.817770.20000111.5T431 G438T431-S434 PolarHBondContact N-OG 3.04Å; T431-S434 VanDerWaalsContact N-OG 3.13Å; T431-S434 PolarHBondContact O-N 2.81Å; T431-S434 VanDerWaalsContact O-N 3.09Å; T431-S434 PolarHBondContact O-OG 3.19Å; T431-S434 PolarHBondContact OG1-N 3.01Å; T431-S434 PolarHBondContact OG1-OG 3.08Å; S434-G438 PolarHBondContact O-N 2.87Å
435L74.8Confident71.4Confident1 Ų183.4 Ų83.41%0.00545%0.453CS..Hα-helixtrans-62.9-42.2173.1-110.8148.5000112.1F413 A416 C417 Y420 L430 T431 E433 F441 P444F413-L435 HydrophobicContact CD1-CB 4.3Å; F413-L435 HydrophobicContact CD1-CD2 4.46Å; A416-L435 HydrophobicContact CB-CD1 4.41Å; C417-L435 HydrophobicContact CB-CD1 4.22Å; C417-L435 WeakPolarHBondContact SG-CD1 3.38Å; Y420-L435 HydrophobicContact CD2-CD2 4.49Å; Y420-L435 HydrophobicContact CE2-CD2 4.45Å; L430-L435 HydrophobicContact CD2-CD1 3.38Å; L430-L435 HydrophobicContact CD2-CG 4Å; L430-L435 HydrophobicContact CG-CD1 3.91Å; L430-L435 HydrophobicContact CG-CG 4.38Å; T431-L435 PolarHBondContact O-N 2.86Å; E433-L435 VanDerWaalsContact C-N 3.33Å; L435-F441 HydrophobicContact CD2-CB 3.63Å; L435-F441 HydrophobicContact CD2-CD2 3.42Å; L435-F441 VanDerWaalsContact CD2-CD2 3.42Å; L435-F441 HydrophobicContact CD2-CE2 4.21Å; L435-F441 HydrophobicContact CD2-CG 3.64Å; L435-F441 HydrophobicContact CG-CD2 3.99Å; L435-F441 HydrophobicContact CG-CE2 4.38Å; L435-P444 HydrophobicContact CD2-CG 3.96Å
436K76.4Confident71.6Confident94 Ų9475.4 Ų75.441%0.40941%0.413SS..Hα-helixtrans-72.2-42.6178.6-75.2173.6179.51730113.3F413 V432 E433 G438F413-K436 HydrophobicContact CD1-CG 4.14Å; F413-K436 HydrophobicContact CD2-CG 4.45Å; F413-K436 HydrophobicContact CE1-CG 4.07Å; F413-K436 HydrophobicContact CE2-CG 4.4Å; F413-K436 HydrophobicContact CG-CG 4.35Å; F413-K436 HydrophobicContact CZ-CG 4.21Å; V432-K436 HydrophobicContact CG1-CD 3.91Å; V432-K436 VanDerWaalsContact CG1-CE 3.49Å; V432-K436 HydrophobicContact CG1-CG 4.46Å; V432-K436 WeakPolarHBondContact O-CB 3.03Å; V432-K436 VanDerWaalsContact O-CG 3.27Å; V432-K436 WeakPolarHBondContact O-CG 3.44Å; V432-K436 PolarHBondContact O-N 3.25Å; E433-K436 PolarHBondContact O-N 3.2Å; K436-G438 VanDerWaalsContact C-N 3.29Å; K436-G438 PolarHBondContact O-N 3.44Å
437K69.9Low72.3Confident179 Ų17976.6 Ų76.678%0.77841%0.414SS*.Hα-helixtrans-71.7-20-175.2-78-179.9176.9174.50113.9E433E433-K437 WeakPolarHBondContact O-CB 3.32Å; E433-K437 WeakPolarHBondContact O-CG 3.36Å; E433-K437 PolarHBondContact O-N 3.12Å
438G61.4Low73.1Confident42 Ų4270.9 Ų70.943%0.43338%0.375SS..THydrogen-bonded Turntrans-91.8-20.5-172.700000115.9S434 K436 R440S434-G438 PolarHBondContact O-N 2.87Å; K436-G438 VanDerWaalsContact C-N 3.29Å; K436-G438 PolarHBondContact O-N 3.44Å; G438-R440 WeakPolarHBondContact O-CG 3.29Å; G438-R440 PolarHBondContact O-N 3.49Å
439G62.3Low73.4Confident36 Ų3668.5 Ų68.537%0.37136%0.362SS..  trans56.82.4-171.600000115.3F441 Q442G439-F441 VanDerWaalsContact C-N 3.33Å; G439-F441 PolarHBondContact O-N 3.19Å; G439-Q442 PolarHBondContact O-NE2 3.34Å
440R58.9Low73.7Confident214 Ų21465.2 Ų65.281%0.80835%0.348SS*.  trans-73.3-22.5-172.2-76.2179.6178.7176.4-3.7113.1G438G438-R440 WeakPolarHBondContact O-CG 3.29Å; G438-R440 PolarHBondContact O-N 3.49Å
441F70.5Confident73.6Confident63 Ų6365.2 Ų65.228%0.27635%0.348SS..  trans-112.789.9-176.9-60.1-81.9000110.2Y420 L435 G439 P444 I445Y420-F441 HydrophobicContact CD1-CD1 4.45Å; Y420-F441 HydrophobicContact CD1-CE1 4.11Å; Y420-F441 HydrophobicContact CD2-CD1 4.11Å; Y420-F441 HydrophobicContact CD2-CE1 4.18Å; Y420-F441 AromaticContact CE1-CD1 3.98Å; Y420-F441 HydrophobicContact CE1-CD1 3.98Å; Y420-F441 HydrophobicContact CE1-CE1 4.02Å; Y420-F441 HydrophobicContact CE2-CB 4.39Å; Y420-F441 AromaticContact CE2-CD1 3.61Å; Y420-F441 HydrophobicContact CE2-CD1 3.61Å; Y420-F441 HydrophobicContact CE2-CE1 4.11Å; Y420-F441 HydrophobicContact CE2-CG 4.12Å; Y420-F441 HydrophobicContact CG-CE1 4.21Å; Y420-F441 AromaticContact CZ-CD1 3.54Å; L435-F441 HydrophobicContact CD2-CB 3.63Å; L435-F441 HydrophobicContact CD2-CD2 3.42Å; L435-F441 VanDerWaalsContact CD2-CD2 3.42Å; L435-F441 HydrophobicContact CD2-CE2 4.21Å; L435-F441 HydrophobicContact CD2-CG 3.64Å; L435-F441 HydrophobicContact CG-CD2 3.99Å; L435-F441 HydrophobicContact CG-CE2 4.38Å; G439-F441 VanDerWaalsContact C-N 3.33Å; G439-F441 PolarHBondContact O-N 3.19Å; F441-P444 HydrophobicContact CB-CG 3.74Å; F441-P444 VanDerWaalsContact O-CD 3.3Å; F441-P444 WeakPolarHBondContact O-CD 3.26Å; F441-P444 WeakPolarHBondContact O-CG 3.44Å; F441-I445 WeakPolarHBondContact O-CD1 3.2Å; F441-I445 WeakPolarHBondContact O-CG1 3.23Å
442Q74.4Confident73.3Confident119 Ų11968.8 Ų68.856%0.55636%0.356SS*.Hα-helixtrans-67.7-35.6-177.8-67.4-62.3-37.800112.6G439 I445 S446G439-Q442 PolarHBondContact O-NE2 3.34Å; Q442-I445 WeakPolarHBondContact O-CB 3.44Å; Q442-I445 PolarHBondContact O-N 3.48Å; Q442-I445 VanDerWaalsContact O-N 3.11Å; Q442-S446 PolarHBondContact O-N 3.46Å; Q442-S446 PolarHBondContact O-OG 3.24Å
443A79.1Confident72.9Confident64 Ų6470.1 Ų70.153%0.52936%0.363SS..Hα-helixtrans-55.2-52.6-178.500000114.8I445 S446 L447A443-I445 VanDerWaalsContact C-N 3.3Å; A443-I445 PolarHBondContact O-N 3.39Å; A443-S446 PolarHBondContact O-N 3.02Å; A443-L447 WeakPolarHBondContact O-CB 3.48Å; A443-L447 PolarHBondContact O-N 2.85Å
444P80.1Confident72.6Confident6 Ų669.5 Ų69.54%0.03936%0.356CS..Hα-helixtrans-67.4-28.4176.524.2-33.4000113.4I412 F413 A416 L435 F441 A448I412-P444 HydrophobicContact CG2-CB 4.14Å; F413-P444 HydrophobicContact CD1-CB 4.11Å; F413-P444 HydrophobicContact CE1-CB 4.03Å; F413-P444 HydrophobicContact CE1-CG 4.33Å; A416-P444 HydrophobicContact CB-CB 3.82Å; A416-P444 HydrophobicContact CB-CG 4.15Å; L435-P444 HydrophobicContact CD2-CG 3.96Å; F441-P444 HydrophobicContact CB-CG 3.74Å; F441-P444 VanDerWaalsContact O-CD 3.3Å; F441-P444 WeakPolarHBondContact O-CD 3.26Å; F441-P444 WeakPolarHBondContact O-CG 3.44Å; P444-A448 VanDerWaalsContact O-CB 3.23Å; P444-A448 WeakPolarHBondContact O-CB 3.22Å; P444-A448 PolarHBondContact O-N 3.33Å
445I79.2Confident72.3Confident57 Ų5768.8 Ų68.829%0.29235%0.347SS..Hα-helixtrans-68.7-49.3175.9-63.2170.2000110.3F413 F441 Q442 A443 A448 S449F413-I445 HydrophobicContact CE1-CG1 4.09Å; F413-I445 HydrophobicContact CZ-CG1 4.01Å; F441-I445 WeakPolarHBondContact O-CD1 3.2Å; F441-I445 WeakPolarHBondContact O-CG1 3.23Å; Q442-I445 WeakPolarHBondContact O-CB 3.44Å; Q442-I445 PolarHBondContact O-N 3.48Å; Q442-I445 VanDerWaalsContact O-N 3.11Å; A443-I445 VanDerWaalsContact C-N 3.3Å; A443-I445 PolarHBondContact O-N 3.39Å; I445-A448 PolarHBondContact O-N 2.85Å; I445-S449 PolarHBondContact O-N 3Å
446S76Confident71.7Confident19 Ų1971.9 Ų71.913%0.13336%0.364CS..Hα-helixtrans-60.5-46.1175.6-63.60000111Q442 A443 A448 S449 I450 E469Q442-S446 PolarHBondContact O-N 3.46Å; Q442-S446 PolarHBondContact O-OG 3.24Å; A443-S446 PolarHBondContact O-N 3.02Å; S446-A448 VanDerWaalsContact C-N 3.34Å; S446-A448 PolarHBondContact O-N 3.17Å; S446-S449 WeakPolarHBondContact O-CB 3.38Å; S446-S449 PolarHBondContact O-N 3.08Å; S446-S449 VanDerWaalsContact O-N 3.13Å; S446-I450 WeakPolarHBondContact O-CB 3.47Å; S446-I450 WeakPolarHBondContact O-CD1 3.3Å; S446-I450 WeakPolarHBondContact O-CG1 3.23Å; S446-I450 PolarHBondContact O-N 2.84Å; S446-E469 PolarHBondContact OG-OE1 2.88Å; S446-E469 PolarHBondContact OG-OE2 3.13Å; S446-E469 VanDerWaalsContact OG-OE2 3.08Å
447L80.1Confident71Confident81 Ų8169.8 Ų69.842%0.42436%0.361SS..Hα-helixtrans-61.8-40178.2-174.560.3000112.6I412 A443 I450 L451I412-L447 HydrophobicContact CD1-CG 4.25Å; I412-L447 HydrophobicContact CG1-CD2 4.46Å; I412-L447 HydrophobicContact CG1-CG 4.46Å; I412-L447 HydrophobicContact CG2-CB 4.2Å; I412-L447 HydrophobicContact CG2-CD2 3.92Å; I412-L447 HydrophobicContact CG2-CG 4.16Å; A443-L447 WeakPolarHBondContact O-CB 3.48Å; A443-L447 PolarHBondContact O-N 2.85Å; L447-I450 PolarHBondContact O-N 3.27Å; L447-L451 HydrophobicContact CD1-CD1 3.91Å; L447-L451 HydrophobicContact CD1-CG 4.35Å; L447-L451 HydrophobicContact CG-CD1 3.97Å; L447-L451 WeakPolarHBondContact O-CB 3.28Å; L447-L451 PolarHBondContact O-N 3.43Å
448A79.4Confident70.7Confident6 Ų662.8 Ų62.85%0.0534%0.34CS..Hα-helixtrans-62.8-40.6173.500000112.7V409 I412 F413 P444 I445 S446 R452V409-A448 HydrophobicContact CB-CB 4.36Å; V409-A448 HydrophobicContact CG1-CB 3.81Å; V409-A448 HydrophobicContact CG2-CB 3.98Å; I412-A448 VanDerWaalsContact CD1-CA 3.49Å; I412-A448 HydrophobicContact CD1-CB 4.05Å; F413-A448 HydrophobicContact CE2-CB 3.94Å; F413-A448 HydrophobicContact CZ-CB 4.44Å; P444-A448 VanDerWaalsContact O-CB 3.23Å; P444-A448 WeakPolarHBondContact O-CB 3.22Å; P444-A448 PolarHBondContact O-N 3.33Å; I445-A448 PolarHBondContact O-N 2.85Å; S446-A448 VanDerWaalsContact C-N 3.34Å; S446-A448 PolarHBondContact O-N 3.17Å; A448-R452 VanDerWaalsContact O-CB 3.26Å; A448-R452 WeakPolarHBondContact O-CB 3.12Å; A448-R452 PolarHBondContact O-N 3.02Å
449S76.7Confident70.6Confident51 Ų5167.4 Ų67.436%0.35735%0.35SS..Hα-helixtrans-64.1-48.2175.8-171.70000111.5I445 S446 L451 R452 N453I445-S449 PolarHBondContact O-N 3Å; S446-S449 WeakPolarHBondContact O-CB 3.38Å; S446-S449 PolarHBondContact O-N 3.08Å; S446-S449 VanDerWaalsContact O-N 3.13Å; S449-L451 PolarHBondContact O-N 3.42Å; S449-R452 PolarHBondContact O-N 3.29Å; S449-N453 WeakPolarHBondContact O-CB 3.23Å; S449-N453 PolarHBondContact O-N 3.49Å; S449-N453 PolarHBondContact O-ND2 3.33Å
450I74.2Confident70.5Confident40 Ų4073.8 Ų73.821%0.20537%0.37CS..Hα-helixtrans-54.4-55.2176.5-70.9163000110.4S446 L447 R452 N453 Y454 L462 L466S446-I450 WeakPolarHBondContact O-CB 3.47Å; S446-I450 WeakPolarHBondContact O-CD1 3.3Å; S446-I450 WeakPolarHBondContact O-CG1 3.23Å; S446-I450 PolarHBondContact O-N 2.84Å; L447-I450 PolarHBondContact O-N 3.27Å; I450-R452 PolarHBondContact O-N 3.01Å; I450-N453 PolarHBondContact O-N 2.91Å; I450-Y454 WeakPolarHBondContact O-CB 3.3Å; I450-Y454 PolarHBondContact O-N 3.26Å; I450-L462 HydrophobicContact CB-CD1 3.94Å; I450-L462 HydrophobicContact CG1-CD1 4.25Å; I450-L462 HydrophobicContact CG2-CD1 3.55Å; I450-L462 HydrophobicContact CG2-CD2 4.27Å; I450-L462 HydrophobicContact CG2-CG 4.5Å; I450-L462 VanDerWaalsContact O-CD1 3.29Å; I450-L462 WeakPolarHBondContact O-CD1 3.43Å; I450-L466 HydrophobicContact CD1-CD1 4.37Å; I450-L466 HydrophobicContact CD1-CD2 3.39Å; I450-L466 HydrophobicContact CD1-CG 4.28Å; I450-L466 HydrophobicContact CG1-CD1 4.17Å; I450-L466 HydrophobicContact CG1-CD2 3.47Å; I450-L466 VanDerWaalsContact CG1-CD2 3.47Å; I450-L466 HydrophobicContact CG1-CG 3.93Å; I450-L466 HydrophobicContact CG2-CD1 4.36Å
451L72.3Confident70.6Confident49 Ų4970.3 Ų70.326%0.25736%0.361SS..Hα-helixtrans-67.3-36.2-175.1-75.8165.9000112.4L408 I412 L447 S449 L455L408-L451 HydrophobicContact CD2-CB 3.77Å; L408-L451 HydrophobicContact CD2-CD1 3.8Å; L408-L451 HydrophobicContact CD2-CD2 4.02Å; L408-L451 HydrophobicContact CD2-CG 4.07Å; I412-L451 HydrophobicContact CD1-CB 4.21Å; I412-L451 HydrophobicContact CD1-CD1 3.39Å; I412-L451 HydrophobicContact CD1-CG 4.36Å; I412-L451 HydrophobicContact CG1-CD1 3.97Å; L447-L451 HydrophobicContact CD1-CD1 3.91Å; L447-L451 HydrophobicContact CD1-CG 4.35Å; L447-L451 HydrophobicContact CG-CD1 3.97Å; L447-L451 WeakPolarHBondContact O-CB 3.28Å; L447-L451 PolarHBondContact O-N 3.43Å; S449-L451 PolarHBondContact O-N 3.42Å; L451-L455 WeakPolarHBondContact O-CB 3.31Å; L451-L455 VanDerWaalsContact O-CG 3.29Å; L451-L455 WeakPolarHBondContact O-CG 3.45Å; L451-L455 PolarHBondContact O-N 3.47Å
452R70.2Confident70.2Confident119 Ų11968.3 Ų68.345%0.44935%0.353SS..Hα-helixtrans-63.4-44.1173.2-174.6-178.3-70165.6-3111.8V409 A448 S449 I450 N456V409-R452 HydrophobicContact CG2-CB 4.31Å; A448-R452 VanDerWaalsContact O-CB 3.26Å; A448-R452 WeakPolarHBondContact O-CB 3.12Å; A448-R452 PolarHBondContact O-N 3.02Å; S449-R452 PolarHBondContact O-N 3.29Å; I450-R452 PolarHBondContact O-N 3.01Å; R452-N456 WeakPolarHBondContact O-CB 3.43Å; R452-N456 PolarHBondContact O-N 3.1Å; R452-N456 VanDerWaalsContact O-N 3.11Å; R452-N456 PolarHBondContact O-ND2 3.06Å
453N68.5Low69.7Low45 Ų4567.5 Ų67.524%0.24135%0.35CS..Hα-helixtrans-68.4-38.8179.6-69.6-17.2000112S449 I450 N456 S457 L462 S465S449-N453 WeakPolarHBondContact O-CB 3.23Å; S449-N453 PolarHBondContact O-N 3.49Å; S449-N453 PolarHBondContact O-ND2 3.33Å; I450-N453 PolarHBondContact O-N 2.91Å; N453-N456 PolarHBondContact O-N 3.22Å; N453-S457 PolarHBondContact O-N 2.73Å; N453-S457 PolarHBondContact O-OG 3.39Å; N453-L462 HydrophobicContact CB-CD1 4.38Å; N453-S465 PolarHBondContact ND2-OG 2.94Å
454Y67.6Low69Low119 Ų11968.9 Ų68.947%0.46736%0.355SS..Hα-helixtrans-61.2-48.9174.7-176.7-104000112I450 N456 G458 Q459 L462I450-Y454 WeakPolarHBondContact O-CB 3.3Å; I450-Y454 PolarHBondContact O-N 3.26Å; Y454-N456 VanDerWaalsContact C-N 3.33Å; Y454-N456 PolarHBondContact O-N 2.63Å; Y454-G458 WeakPolarHBondContact O-CA 3.35Å; Y454-G458 PolarHBondContact O-N 3.45Å; Y454-Q459 HydrophobicContact CE2-CB 4.49Å; Y454-L462 HydrophobicContact CD2-CD2 3.85Å; Y454-L462 HydrophobicContact CG-CD2 4.41Å
455L65.5Low68.3Low40 Ų4071.4 Ų71.421%0.20937%0.373CS..Hα-helixtrans-66.7-32.8-179.1-72.9171.2000113.3L396 L408 L451L396-L455 HydrophobicContact CD1-CD2 4.46Å; L408-L455 HydrophobicContact CB-CD1 4.32Å; L408-L455 HydrophobicContact CD1-CD1 4.42Å; L408-L455 HydrophobicContact CD2-CD1 4.15Å; L451-L455 WeakPolarHBondContact O-CB 3.31Å; L451-L455 VanDerWaalsContact O-CG 3.29Å; L451-L455 WeakPolarHBondContact O-CG 3.45Å; L451-L455 PolarHBondContact O-N 3.47Å
456N62.2Low67.6Low67 Ų6770 Ų7036%0.35837%0.366SS..Hα-helixtrans-88.5-21.8-176.5-74.4-14.9000114.2S401 N402 R452 N453 Y454S401-N456 PolarHBondContact OG-OD1 3.35Å; N402-N456 PolarHBondContact OD1-OD1 3.06Å; R452-N456 WeakPolarHBondContact O-CB 3.43Å; R452-N456 PolarHBondContact O-N 3.1Å; R452-N456 VanDerWaalsContact O-N 3.11Å; R452-N456 PolarHBondContact O-ND2 3.06Å; N453-N456 PolarHBondContact O-N 3.22Å; Y454-N456 VanDerWaalsContact C-N 3.33Å; Y454-N456 PolarHBondContact O-N 2.63Å
457S62.7Low67.6Low50 Ų5073.6 Ų73.635%0.3538%0.381SS..Hα-helixtrans-149.16.1-168.548.60000117N453N453-S457 PolarHBondContact O-N 2.73Å; N453-S457 PolarHBondContact O-OG 3.39Å
458G63.2Low67.4Low32 Ų3271.9 Ų71.933%0.3338%0.382SS..Hα-helixtrans75.7-175.9176.400000114.4Y454 E460Y454-G458 WeakPolarHBondContact O-CA 3.35Å; Y454-G458 PolarHBondContact O-N 3.45Å; G458-E460 PolarHBondContact O-N 2.79Å
459Q59Low67.1Low139 Ų13976 Ų7665%0.6540%0.4SS*.Hα-helixtrans-67.1-33.1-168.7-170.3174.5-8.200113.8Y454 L462 M463Y454-Q459 HydrophobicContact CE2-CB 4.49Å; Q459-L462 WeakPolarHBondContact O-CB 3.4Å; Q459-L462 PolarHBondContact O-N 3.37Å; Q459-M463 WeakPolarHBondContact O-CG 3.45Å; Q459-M463 PolarHBondContact O-N 3.38Å
460E61.1Low67Low170 Ų17077.5 Ų77.579%0.79440%0.404SS*.Hα-helixtrans-68.5-46-173.9-69.4-178.9165.500113.2G458 L462 M463 C464G458-E460 PolarHBondContact O-N 2.79Å; E460-L462 VanDerWaalsContact C-N 3.32Å; E460-L462 PolarHBondContact O-N 2.89Å; E460-M463 PolarHBondContact O-N 2.73Å; E460-C464 PolarHBondContact O-N 2.99Å
461K60.9Low67.3Low140 Ų14082.7 Ų82.761%0.60942%0.421SS*.Hα-helixtrans-71.3-28.8175.7-72.3-163.1-169.4170.20112.7C464 S465K461-C464 PolarHBondContact O-N 2.94Å; K461-S465 WeakPolarHBondContact O-CB 3.34Å; K461-S465 PolarHBondContact O-N 3.47Å
462L61.6Low67.4Low21 Ų2183.2 Ų83.211%0.1143%0.433CS..Hα-helixtrans-62-46.8172.5178.170.7000110.5I450 N453 Y454 Q459 E460 C464 S465 L466I450-L462 HydrophobicContact CB-CD1 3.94Å; I450-L462 HydrophobicContact CG1-CD1 4.25Å; I450-L462 HydrophobicContact CG2-CD1 3.55Å; I450-L462 HydrophobicContact CG2-CD2 4.27Å; I450-L462 HydrophobicContact CG2-CG 4.5Å; I450-L462 VanDerWaalsContact O-CD1 3.29Å; I450-L462 WeakPolarHBondContact O-CD1 3.43Å; N453-L462 HydrophobicContact CB-CD1 4.38Å; Y454-L462 HydrophobicContact CD2-CD2 3.85Å; Y454-L462 HydrophobicContact CG-CD2 4.41Å; Q459-L462 WeakPolarHBondContact O-CB 3.4Å; Q459-L462 PolarHBondContact O-N 3.37Å; E460-L462 VanDerWaalsContact C-N 3.32Å; E460-L462 PolarHBondContact O-N 2.89Å; L462-C464 PolarHBondContact O-N 3.37Å; L462-S465 PolarHBondContact O-N 2.87Å; L462-L466 HydrophobicContact CD1-CD1 3.86Å; L462-L466 HydrophobicContact CD1-CG 4.15Å; L462-L466 HydrophobicContact CD2-CD1 4.14Å; L462-L466 HydrophobicContact CG-CD1 3.77Å; L462-L466 HydrophobicContact CG-CG 4.38Å; L462-L466 WeakPolarHBondContact O-CB 3.21Å; L462-L466 PolarHBondContact O-N 3.35Å
463M63.4Low67.7Low102 Ų10282.7 Ų82.750%0.50244%0.438SS..Hα-helixtrans-59.7-46177.3-70.8-57.8-63.600111.1Q459 E460 S465 L466 E467Q459-M463 WeakPolarHBondContact O-CG 3.45Å; Q459-M463 PolarHBondContact O-N 3.38Å; E460-M463 PolarHBondContact O-N 2.73Å; M463-S465 VanDerWaalsContact C-N 3.3Å; M463-S465 PolarHBondContact O-N 3.36Å; M463-L466 PolarHBondContact O-N 3.22Å; M463-E467 VanDerWaalsContact O-CB 3.27Å; M463-E467 WeakPolarHBondContact O-CB 3.27Å; M463-E467 PolarHBondContact O-N 3.41Å
464C66.2Low68.3Low94 Ų9484.2 Ų84.264%0.63545%0.449SS*.Hα-helixtrans-60.3-36.6175.5-65.70000113.4E460 K461 L462E460-C464 PolarHBondContact O-N 2.99Å; K461-C464 PolarHBondContact O-N 2.94Å; L462-C464 PolarHBondContact O-N 3.37Å
465S64.8Low68.9Low58 Ų5880.9 Ų80.941%0.40645%0.446SS..Hα-helixtrans-74.9-34.3177.8-175.80000112.9N453 K461 L462 M463N453-S465 PolarHBondContact ND2-OG 2.94Å; K461-S465 WeakPolarHBondContact O-CB 3.34Å; K461-S465 PolarHBondContact O-N 3.47Å; L462-S465 PolarHBondContact O-N 2.87Å; M463-S465 VanDerWaalsContact C-N 3.3Å; M463-S465 PolarHBondContact O-N 3.36Å
466L65.2Low69.5Low29 Ų2984 Ų8415%0.15246%0.462CS..Hα-helixtrans-82.6-23.9-179.7-86.6176.4000113.2I450 L462 M463 G468 E469 L470I450-L466 HydrophobicContact CD1-CD1 4.37Å; I450-L466 HydrophobicContact CD1-CD2 3.39Å; I450-L466 HydrophobicContact CD1-CG 4.28Å; I450-L466 HydrophobicContact CG1-CD1 4.17Å; I450-L466 HydrophobicContact CG1-CD2 3.47Å; I450-L466 VanDerWaalsContact CG1-CD2 3.47Å; I450-L466 HydrophobicContact CG1-CG 3.93Å; I450-L466 HydrophobicContact CG2-CD1 4.36Å; L462-L466 HydrophobicContact CD1-CD1 3.86Å; L462-L466 HydrophobicContact CD1-CG 4.15Å; L462-L466 HydrophobicContact CD2-CD1 4.14Å; L462-L466 HydrophobicContact CG-CD1 3.77Å; L462-L466 HydrophobicContact CG-CG 4.38Å; L462-L466 WeakPolarHBondContact O-CB 3.21Å; L462-L466 PolarHBondContact O-N 3.35Å; M463-L466 PolarHBondContact O-N 3.22Å; L466-G468 PolarHBondContact O-N 2.99Å; L466-E469 PolarHBondContact O-N 3.47Å; L466-E469 VanDerWaalsContact O-N 3.17Å; L466-L470 HydrophobicContact CB-CD1 4.01Å; L466-L470 WeakPolarHBondContact O-CB 3.39Å; L466-L470 PolarHBondContact O-N 2.99Å
467E74.9Confident70.4Confident94 Ų9486 Ų8644%0.43947%0.469SS..Hα-helixtrans-57.2-38.4-175.6-166.7-178.515900112.1M463 R471M463-E467 VanDerWaalsContact O-CB 3.27Å; M463-E467 WeakPolarHBondContact O-CB 3.27Å; M463-E467 PolarHBondContact O-N 3.41Å; E467-R471 WeakPolarHBondContact O-CB 3.35Å; E467-R471 PolarHBondContact O-N 3.33Å; E467-R471 IonicContact OE1-CZ 3.69Å; E467-R471 IonicContact OE1-NH1 3.19Å; E467-R471 IonicContact OE1-NH2 3.81Å; E467-R471 PolarHBondContact OE1-NH2 3.35Å
468G74.9Confident71.5Confident44 Ų4489.5 Ų89.545%0.45448%0.48SS..Hα-helixtrans-64.1-49.6175.500000113.2L466 A472L466-G468 PolarHBondContact O-N 2.99Å; G468-A472 PolarHBondContact O-N 3.06Å
469E73.4Confident72.3Confident92 Ų9290.5 Ų90.543%0.4348%0.478SS..Hα-helixtrans-68.6-42.1179.7-72.8-164.1-162.300112.1S446 L466 A472 L473S446-E469 PolarHBondContact OG-OE1 2.88Å; S446-E469 PolarHBondContact OG-OE2 3.13Å; S446-E469 VanDerWaalsContact OG-OE2 3.08Å; L466-E469 PolarHBondContact O-N 3.47Å; L466-E469 VanDerWaalsContact O-N 3.17Å; E469-A472 WeakPolarHBondContact O-CB 3.42Å; E469-A472 PolarHBondContact O-N 3.15Å; E469-L473 WeakPolarHBondContact O-CG 3.21Å; E469-L473 PolarHBondContact O-N 3.42Å
470L75.6Confident73.4Confident83 Ų8389.1 Ų89.144%0.43547%0.47SS..Hα-helixtrans-62.5-43.7175.9-79.5165.7000111.4L466 A472 L473 V474L466-L470 HydrophobicContact CB-CD1 4.01Å; L466-L470 WeakPolarHBondContact O-CB 3.39Å; L466-L470 PolarHBondContact O-N 2.99Å; L470-A472 VanDerWaalsContact C-N 3.28Å; L470-A472 PolarHBondContact O-N 3.47Å; L470-L473 PolarHBondContact O-N 3.39Å; L470-V474 WeakPolarHBondContact O-CB 3.5Å; L470-V474 VanDerWaalsContact O-CG2 3.26Å; L470-V474 WeakPolarHBondContact O-CG2 3.29Å; L470-V474 PolarHBondContact O-N 2.98Å
471R79.4Confident74.2Confident149 Ų14981.3 Ų81.356%0.56244%0.435SS*.Hα-helixtrans-61-38.8175.4-174.5-177.7-70.9117.8-4.3111.3E467 A475E467-R471 WeakPolarHBondContact O-CB 3.35Å; E467-R471 PolarHBondContact O-N 3.33Å; E467-R471 IonicContact OE1-CZ 3.69Å; E467-R471 IonicContact OE1-NH1 3.19Å; E467-R471 IonicContact OE1-NH2 3.81Å; E467-R471 PolarHBondContact OE1-NH2 3.35Å; R471-A475 VanDerWaalsContact O-CB 3.27Å; R471-A475 WeakPolarHBondContact O-CB 3.28Å; R471-A475 PolarHBondContact O-N 2.96Å
472A75.3Confident75.2Confident61 Ų6176.1 Ų76.150%0.50442%0.416SS..Hα-helixtrans-66.3-42.5175.700000112.6G468 E469 L470 A475 L476G468-A472 PolarHBondContact O-N 3.06Å; E469-A472 WeakPolarHBondContact O-CB 3.42Å; E469-A472 PolarHBondContact O-N 3.15Å; L470-A472 VanDerWaalsContact C-N 3.28Å; L470-A472 PolarHBondContact O-N 3.47Å; A472-A475 PolarHBondContact O-N 2.89Å; A472-L476 WeakPolarHBondContact O-CB 3.23Å; A472-L476 PolarHBondContact O-N 3.42Å
473L75.6Confident76Confident107 Ų10778 Ų7856%0.5643%0.426SS*.Hα-helixtrans-67.6-40.4177.2-71.5172.4000112.4E469 L470 L476 E477E469-L473 WeakPolarHBondContact O-CG 3.21Å; E469-L473 PolarHBondContact O-N 3.42Å; L470-L473 PolarHBondContact O-N 3.39Å; L473-L476 WeakPolarHBondContact O-CB 3.26Å; L473-L476 PolarHBondContact O-N 2.83Å; L473-E477 PolarHBondContact O-N 3.11Å
474V81.4Confident76.9Confident78 Ų7878.7 Ų78.747%0.47344%0.435SS..Hα-helixtrans-62.8-47.1174.2170.50000110.1L470 L476 E477 E478L470-V474 WeakPolarHBondContact O-CB 3.5Å; L470-V474 VanDerWaalsContact O-CG2 3.26Å; L470-V474 WeakPolarHBondContact O-CG2 3.29Å; L470-V474 PolarHBondContact O-N 2.98Å; V474-L476 PolarHBondContact O-N 2.88Å; V474-E477 PolarHBondContact O-N 3.43Å; V474-E477 VanDerWaalsContact O-N 3.16Å; V474-E478 HydrophobicContact CG1-CG 4.35Å; V474-E478 WeakPolarHBondContact O-CB 3.36Å; V474-E478 WeakPolarHBondContact O-CG 3.29Å; V474-E478 PolarHBondContact O-N 3.38Å
475A80.4Confident77.6Confident48 Ų4883.4 Ų83.440%0.39744%0.44SS..Hα-helixtrans-59.7-35.817600000112.4R471 A472 L479R471-A475 VanDerWaalsContact O-CB 3.27Å; R471-A475 WeakPolarHBondContact O-CB 3.28Å; R471-A475 PolarHBondContact O-N 2.96Å; A472-A475 PolarHBondContact O-N 2.89Å; A475-L479 VanDerWaalsContact O-CB 3.25Å; A475-L479 WeakPolarHBondContact O-CB 3.4Å; A475-L479 PolarHBondContact O-N 2.9Å
476L79.4Confident78.3Confident105 Ų10581.5 Ų81.555%0.5543%0.429SS..Hα-helixtrans-67.9-42.7175.4-175.167.9000112.2A472 L473 V474 L479 K480A472-L476 WeakPolarHBondContact O-CB 3.23Å; A472-L476 PolarHBondContact O-N 3.42Å; L473-L476 WeakPolarHBondContact O-CB 3.26Å; L473-L476 PolarHBondContact O-N 2.83Å; V474-L476 PolarHBondContact O-N 2.88Å; L476-L479 PolarHBondContact O-N 3.46Å; L476-K480 WeakPolarHBondContact O-CB 3.26Å; L476-K480 PolarHBondContact O-N 3.46Å
477E81.3Confident79.1Confident111 Ų11182.3 Ų82.352%0.51944%0.444SS..Hα-helixtrans-70.1-34.7177.7-167.262.8-158.200111.6L473 V474 K480 G481L473-E477 PolarHBondContact O-N 3.11Å; V474-E477 PolarHBondContact O-N 3.43Å; V474-E477 VanDerWaalsContact O-N 3.16Å; E477-K480 IonicContact OE1-NZ 3.82Å; E477-K480 PolarHBondContact OE1-NZ 2.8Å; E477-K480 IonicContact OE2-NZ 2.75Å; E477-K480 PolarHBondContact OE2-NZ 2.86Å; E477-G481 PolarHBondContact O-N 3.04Å
478E84.3Confident79.2Confident123 Ų12383.1 Ų83.158%0.57546%0.455SS*.Hα-helixtrans-62.9-46.7171.5-74.9176.9175.900111.5V474 G481 S482V474-E478 HydrophobicContact CG1-CG 4.35Å; V474-E478 WeakPolarHBondContact O-CB 3.36Å; V474-E478 WeakPolarHBondContact O-CG 3.29Å; V474-E478 PolarHBondContact O-N 3.38Å; E478-G481 CarbonylContact O-C 3.53Å; E478-G481 WeakPolarHBondContact O-CA 3.28Å; E478-G481 PolarHBondContact O-N 3.2Å; E478-S482 PolarHBondContact O-N 3.46Å
479L80.3Confident79.5Confident53 Ų5389.6 Ų89.628%0.27747%0.471SS..Hα-helixtrans-61.6-44.2175.9178.173.1000112.2A475 L476 G481 S482 L483 V494 L498A475-L479 VanDerWaalsContact O-CB 3.25Å; A475-L479 WeakPolarHBondContact O-CB 3.4Å; A475-L479 PolarHBondContact O-N 2.9Å; L476-L479 PolarHBondContact O-N 3.46Å; L479-G481 VanDerWaalsContact C-N 3.3Å; L479-G481 PolarHBondContact O-N 3.39Å; L479-S482 PolarHBondContact O-N 2.98Å; L479-S482 PolarHBondContact O-OG 3.16Å; L479-L483 WeakPolarHBondContact O-CG 2.97Å; L479-L483 PolarHBondContact O-N 3.46Å; L479-V494 HydrophobicContact CD1-CG1 3.4Å; L479-L498 HydrophobicContact CD2-CD1 4.29Å; L479-L498 HydrophobicContact CD2-CD2 3.83Å
480K81.8Confident79.8Confident110 Ų11090.4 Ų90.448%0.47848%0.475SS..Hα-helixtrans-63.2-41.6174.1178.1-174.3159.8-1500110.6L476 E477 S482 L483 V484L476-K480 WeakPolarHBondContact O-CB 3.26Å; L476-K480 PolarHBondContact O-N 3.46Å; E477-K480 IonicContact OE1-NZ 3.82Å; E477-K480 PolarHBondContact OE1-NZ 2.8Å; E477-K480 IonicContact OE2-NZ 2.75Å; E477-K480 PolarHBondContact OE2-NZ 2.86Å; K480-S482 VanDerWaalsContact C-N 3.33Å; K480-S482 PolarHBondContact O-N 3.21Å; K480-L483 PolarHBondContact O-N 3.04Å; K480-V484 WeakPolarHBondContact O-CG2 3.32Å; K480-V484 PolarHBondContact O-N 2.75Å
481G79.1Confident80.1Confident6 Ų688.8 Ų88.86%0.06247%0.468CS..Hα-helixtrans-59.3-41.1174.400000112.8E477 E478 L479 V484 R485E477-G481 PolarHBondContact O-N 3.04Å; E478-G481 CarbonylContact O-C 3.53Å; E478-G481 WeakPolarHBondContact O-CA 3.28Å; E478-G481 PolarHBondContact O-N 3.2Å; L479-G481 VanDerWaalsContact C-N 3.3Å; L479-G481 PolarHBondContact O-N 3.39Å; G481-V484 PolarHBondContact O-N 3.21Å; G481-R485 WeakPolarHBondContact O-CB 3.41Å; G481-R485 WeakPolarHBondContact O-CG 3.46Å; G481-R485 PolarHBondContact O-N 2.8Å
482S80.3Confident80.1Confident31 Ų3187.2 Ų87.222%0.21747%0.468CS..Hα-helixtrans-69.5-34175.968.30000112.2E478 L479 K480 G486E478-S482 PolarHBondContact O-N 3.46Å; L479-S482 PolarHBondContact O-N 2.98Å; L479-S482 PolarHBondContact O-OG 3.16Å; K480-S482 VanDerWaalsContact C-N 3.33Å; K480-S482 PolarHBondContact O-N 3.21Å; S482-G486 WeakPolarHBondContact O-CA 3.42Å; S482-G486 PolarHBondContact O-N 3.4Å
483L79.2Confident80.5Confident61 Ų6187.2 Ų87.232%0.31947%0.468SS..Hα-helixtrans-68.6-35.8174.1-72.7169.4000113L479 K480 V491 V494 L498L479-L483 WeakPolarHBondContact O-CG 2.97Å; L479-L483 PolarHBondContact O-N 3.46Å; K480-L483 PolarHBondContact O-N 3.04Å; L483-V491 HydrophobicContact CD2-CG1 3.96Å; L483-V491 WeakPolarHBondContact O-CG2 3.39Å; L483-V494 HydrophobicContact CD2-CB 4.11Å; L483-V494 HydrophobicContact CD2-CG1 3.77Å; L483-V494 HydrophobicContact CG-CG1 4.11Å; L483-L498 HydrophobicContact CD1-CD1 4.25Å
484V81.6Confident80.8Confident115 Ų11583.3 Ų83.370%0.69745%0.448SS*.Hα-helixtrans-80.2-36.4-179.61740000112.2K480 G481K480-V484 WeakPolarHBondContact O-CG2 3.32Å; K480-V484 PolarHBondContact O-N 2.75Å; G481-V484 PolarHBondContact O-N 3.21Å
485R80.9Confident80.8Confident194 Ų19480.5 Ų80.573%0.73244%0.435SS*.Hα-helixtrans-96.6-18.9-176.6-63.5-173.3-63.4-91.6-0.6114.1G481G481-R485 WeakPolarHBondContact O-CB 3.41Å; G481-R485 WeakPolarHBondContact O-CG 3.46Å; G481-R485 PolarHBondContact O-N 2.8Å
486G79.6Confident81Confident18 Ų1879 Ų7919%0.18642%0.424CS..SBendtrans-70.4150.5-174.500000112.8S482 E490S482-G486 WeakPolarHBondContact O-CA 3.42Å; S482-G486 PolarHBondContact O-N 3.4Å; G486-E490 WeakPolarHBondContact CA-OE2 3.39Å
487G81.7Confident81.4Confident45 Ų4577 Ų7746%0.46442%0.417SS..  trans-70.1164170.100000111.7K489 E490 V491G487-K489 VanDerWaalsContact C-N 3.26Å; G487-K489 PolarHBondContact O-N 3.25Å; G487-K489 VanDerWaalsContact O-N 3.1Å; G487-E490 WeakPolarHBondContact O-CB 3.46Å; G487-E490 PolarHBondContact O-N 3.04Å; G487-V491 PolarHBondContact O-N 3.08Å
488V78.4Confident81.6Confident111 Ų11174.8 Ų74.867%0.67341%0.408SS*.Hα-helixtrans-48.5-44.4-176.4-179.70000113.1E490 V491 E492V488-E490 PolarHBondContact O-N 3.43Å; V488-V491 PolarHBondContact O-N 2.76Å; V488-E492 WeakPolarHBondContact O-CB 3.38Å; V488-E492 WeakPolarHBondContact O-CG 3.5Å; V488-E492 PolarHBondContact O-N 3.03Å
489K80.4Confident81.9Confident180 Ų18069.5 Ų69.578%0.78338%0.384SS*.Hα-helixtrans-67.5-33.9179.5-67.8-173.8176.6-176.50113.9G487 A493G487-K489 VanDerWaalsContact C-N 3.26Å; G487-K489 PolarHBondContact O-N 3.25Å; G487-K489 VanDerWaalsContact O-N 3.1Å; K489-A493 WeakPolarHBondContact O-CB 3.21Å; K489-A493 PolarHBondContact O-N 3.49Å; K489-A493 VanDerWaalsContact O-N 3.08Å
490E80.8Confident82.2Confident109 Ų10970.6 Ų70.651%0.50939%0.387SS..Hα-helixtrans-74.9-41.1179.4-169177.6-173.600110.2G486 G487 V488 A493 V494G486-E490 WeakPolarHBondContact CA-OE2 3.39Å; G487-E490 WeakPolarHBondContact O-CB 3.46Å; G487-E490 PolarHBondContact O-N 3.04Å; V488-E490 PolarHBondContact O-N 3.43Å; E490-A493 PolarHBondContact O-N 3.5Å; E490-V494 WeakPolarHBondContact O-CB 3.45Å; E490-V494 VanDerWaalsContact O-CG2 3.28Å; E490-V494 WeakPolarHBondContact O-CG2 3.5Å; E490-V494 PolarHBondContact O-N 3.11Å
491V81.3Confident82.5Confident49 Ų4972.4 Ų72.430%0.29740%0.395SS..Hα-helixtrans-62.9-41.4173.1176.40000111.3L483 G487 V488 G495L483-V491 HydrophobicContact CD2-CG1 3.96Å; L483-V491 WeakPolarHBondContact O-CG2 3.39Å; G487-V491 PolarHBondContact O-N 3.08Å; V488-V491 PolarHBondContact O-N 2.76Å; V491-G495 WeakPolarHBondContact O-CA 3.18Å; V491-G495 PolarHBondContact O-N 3.11Å
492E79.9Confident83Confident117 Ų11774.3 Ų74.355%0.54740%0.403SS..Hα-helixtrans-63.8-41.9174.8-79.2178.117000112.5V488 G496V488-E492 WeakPolarHBondContact O-CB 3.38Å; V488-E492 WeakPolarHBondContact O-CG 3.5Å; V488-E492 PolarHBondContact O-N 3.03Å; E492-G496 PolarHBondContact O-N 3.06Å
493A82.6Confident83.5Confident61 Ų6172.9 Ų72.950%0.50439%0.392SS..Hα-helixtrans-64.7-48.617700000111.5K489 E490 G496 T497K489-A493 WeakPolarHBondContact O-CB 3.21Å; K489-A493 PolarHBondContact O-N 3.49Å; K489-A493 VanDerWaalsContact O-N 3.08Å; E490-A493 PolarHBondContact O-N 3.5Å; A493-G496 PolarHBondContact O-N 3.33Å; A493-T497 WeakPolarHBondContact O-CG2 2.97Å; A493-T497 PolarHBondContact O-N 3.44Å; A493-T497 VanDerWaalsContact O-N 3.08Å
494V82.6Confident83.8Confident25 Ų2572.2 Ų72.215%0.15239%0.391CS..Hα-helixtrans-62.9-45.7177.2174.60000110.6L479 L483 E490 G496 T497 L498L479-V494 HydrophobicContact CD1-CG1 3.4Å; L483-V494 HydrophobicContact CD2-CB 4.11Å; L483-V494 HydrophobicContact CD2-CG1 3.77Å; L483-V494 HydrophobicContact CG-CG1 4.11Å; E490-V494 WeakPolarHBondContact O-CB 3.45Å; E490-V494 VanDerWaalsContact O-CG2 3.28Å; E490-V494 WeakPolarHBondContact O-CG2 3.5Å; E490-V494 PolarHBondContact O-N 3.11Å; V494-G496 VanDerWaalsContact C-N 3.31Å; V494-G496 PolarHBondContact O-N 3.25Å; V494-T497 PolarHBondContact O-N 3.42Å; V494-T497 PolarHBondContact O-OG1 3.1Å; V494-L498 HydrophobicContact CG1-CD1 4.13Å; V494-L498 WeakPolarHBondContact O-CG 3.46Å; V494-L498 PolarHBondContact O-N 3.45Å
495G81.9Confident84.2Confident19 Ų1973 Ų7320%0.19638%0.381CS..Hα-helixtrans-57.5-42.5175.100000112.5V491 L498 V499V491-G495 WeakPolarHBondContact O-CA 3.18Å; V491-G495 PolarHBondContact O-N 3.11Å; G495-L498 PolarHBondContact O-N 3.11Å; G495-V499 WeakPolarHBondContact O-CG2 3.32Å; G495-V499 PolarHBondContact O-N 3.34Å
496G84.4Confident84.4Confident17 Ų1764 Ų6418%0.17535%0.348CS..Hα-helixtrans-57.6-48.4173.500000112.6E492 A493 V494 L498 V499 E500E492-G496 PolarHBondContact O-N 3.06Å; A493-G496 PolarHBondContact O-N 3.33Å; V494-G496 VanDerWaalsContact C-N 3.31Å; V494-G496 PolarHBondContact O-N 3.25Å; G496-L498 VanDerWaalsContact C-N 3.29Å; G496-L498 PolarHBondContact O-N 2.92Å; G496-V499 PolarHBondContact O-N 3Å; G496-E500 WeakPolarHBondContact O-CB 3.32Å; G496-E500 PolarHBondContact O-N 3.14Å
497T86.4Confident84.7Confident63 Ų6363.2 Ų63.239%0.38734%0.339SS..Hα-helixtrans-64.4-31.817865.40000113.4A493 V494 K501A493-T497 WeakPolarHBondContact O-CG2 2.97Å; A493-T497 PolarHBondContact O-N 3.44Å; A493-T497 VanDerWaalsContact O-N 3.08Å; V494-T497 PolarHBondContact O-N 3.42Å; V494-T497 PolarHBondContact O-OG1 3.1Å; T497-K501 WeakPolarHBondContact O-CG 3.5Å; T497-K501 PolarHBondContact O-N 3.5Å
498L86.5Confident84.7Confident64 Ų6464.4 Ų64.434%0.33534%0.34SS..Hα-helixtrans-72.2-45.2177.1-69.9171.3000111.5L479 L483 V494 G495 G496 E500 K501 E502L479-L498 HydrophobicContact CD2-CD1 4.29Å; L479-L498 HydrophobicContact CD2-CD2 3.83Å; L483-L498 HydrophobicContact CD1-CD1 4.25Å; V494-L498 HydrophobicContact CG1-CD1 4.13Å; V494-L498 WeakPolarHBondContact O-CG 3.46Å; V494-L498 PolarHBondContact O-N 3.45Å; G495-L498 PolarHBondContact O-N 3.11Å; G496-L498 VanDerWaalsContact C-N 3.29Å; G496-L498 PolarHBondContact O-N 2.92Å; L498-E500 VanDerWaalsContact C-N 3.26Å; L498-E500 PolarHBondContact O-N 3.43Å; L498-K501 PolarHBondContact O-N 3.33Å; L498-E502 WeakPolarHBondContact O-CB 3.48Å; L498-E502 PolarHBondContact O-N 3.49Å
499V89.4Confident84.8Confident11 Ų1160.9 Ų60.97%0.06732%0.321CS..Hα-helixtrans-59.4-42.2173.6172.30000110.1G495 G496 E502 V503 I523 F527 Q530 A531G495-V499 WeakPolarHBondContact O-CG2 3.32Å; G495-V499 PolarHBondContact O-N 3.34Å; G496-V499 PolarHBondContact O-N 3Å; V499-E502 PolarHBondContact O-N 3.28Å; V499-V503 HydrophobicContact CG1-CG2 4.14Å; V499-V503 WeakPolarHBondContact O-CB 3.33Å; V499-V503 VanDerWaalsContact O-CG2 3.28Å; V499-V503 WeakPolarHBondContact O-CG2 3.47Å; V499-V503 PolarHBondContact O-N 2.86Å; V499-I523 HydrophobicContact CG1-CG2 3.84Å; V499-F527 HydrophobicContact CG1-CB 4.43Å; V499-F527 HydrophobicContact CG2-CB 3.92Å; V499-F527 HydrophobicContact CG2-CD1 4.38Å; V499-F527 HydrophobicContact CG2-CD2 3.8Å; V499-F527 HydrophobicContact CG2-CE2 4.41Å; V499-F527 HydrophobicContact CG2-CG 3.78Å; V499-Q530 HydrophobicContact CB-CB 4.08Å; V499-Q530 HydrophobicContact CG1-CB 3.88Å; V499-Q530 HydrophobicContact CG2-CB 4.38Å; V499-A531 HydrophobicContact CG1-CB 4.14Å
500E88.4Confident84.3Confident76 Ų7658.3 Ų58.336%0.35533%0.325SS..Hα-helixtrans-59.7-53.6177-172.4-176.6156.200112.7G496 L498 E502 V503 V504 A534G496-E500 WeakPolarHBondContact O-CB 3.32Å; G496-E500 PolarHBondContact O-N 3.14Å; L498-E500 VanDerWaalsContact C-N 3.26Å; L498-E500 PolarHBondContact O-N 3.43Å; E500-E502 PolarHBondContact O-N 3.36Å; E500-V503 PolarHBondContact O-N 3.04Å; E500-V504 HydrophobicContact CG-CG2 4.49Å; E500-V504 WeakPolarHBondContact O-CB 3.25Å; E500-V504 VanDerWaalsContact O-CG2 3.24Å; E500-V504 WeakPolarHBondContact O-CG2 3.44Å; E500-V504 PolarHBondContact O-N 2.86Å; E500-A534 HydrophobicContact CB-CB 4.13Å; E500-A534 HydrophobicContact CG-CB 4.21Å
501K86.9Confident84Confident149 Ų14961 Ų6165%0.64834%0.338SS*.Hα-helixtrans-57-41.3177.9-75.6175.7180176.50111.8T497 L498 R505T497-K501 WeakPolarHBondContact O-CG 3.5Å; T497-K501 PolarHBondContact O-N 3.5Å; L498-K501 PolarHBondContact O-N 3.33Å; K501-R505 VanDerWaalsContact O-CB 3.25Å; K501-R505 WeakPolarHBondContact O-CB 3.08Å; K501-R505 PolarHBondContact O-N 2.97Å
502E90.1Very high83.9Confident46 Ų4660.1 Ų60.122%0.21533%0.331CS..Hα-helixtrans-74.2-41.6-176-168.260.5-172.700112.8L498 V499 E500 R505 L506 Y519 I523L498-E502 WeakPolarHBondContact O-CB 3.48Å; L498-E502 PolarHBondContact O-N 3.49Å; V499-E502 PolarHBondContact O-N 3.28Å; E500-E502 PolarHBondContact O-N 3.36Å; E502-R505 PolarHBondContact O-N 3.38Å; E502-R505 IonicContact OE1-CZ 3.49Å; E502-R505 IonicContact OE1-NE 3.24Å; E502-R505 PolarHBondContact OE1-NE 3.13Å; E502-R505 IonicContact OE1-NH2 2.66Å; E502-R505 PolarHBondContact OE1-NH2 3.31Å; E502-R505 IonicContact OE2-CZ 3.98Å; E502-R505 IonicContact OE2-NE 2.65Å; E502-R505 PolarHBondContact OE2-NE 3.11Å; E502-R505 IonicContact OE2-NH2 2.76Å; E502-L506 HydrophobicContact CG-CD1 4.22Å; E502-L506 WeakPolarHBondContact O-CB 3.29Å; E502-L506 VanDerWaalsContact O-CG 3.28Å; E502-L506 WeakPolarHBondContact O-CG 3.2Å; E502-L506 PolarHBondContact O-N 3.38Å; E502-Y519 HydrophobicContact CG-CE1 3.91Å; E502-Y519 VanDerWaalsContact OE1-CE1 3.3Å; E502-Y519 WeakPolarHBondContact OE1-CE1 3.43Å; E502-I523 HydrophobicContact CB-CD1 4.48Å; E502-I523 HydrophobicContact CG-CD1 3.8Å
503V89.4Confident83.9Confident0 Ų059.2 Ų59.20%033%0.33CS..Hα-helixtrans-64.5-43.3174.8170.10000110.7V499 E500 R505 L506 L507 L520 I523 F524 A534V499-V503 HydrophobicContact CG1-CG2 4.14Å; V499-V503 WeakPolarHBondContact O-CB 3.33Å; V499-V503 VanDerWaalsContact O-CG2 3.28Å; V499-V503 WeakPolarHBondContact O-CG2 3.47Å; V499-V503 PolarHBondContact O-N 2.86Å; E500-V503 PolarHBondContact O-N 3.04Å; V503-R505 VanDerWaalsContact C-N 3.34Å; V503-R505 PolarHBondContact O-N 3.25Å; V503-L506 PolarHBondContact O-N 3.5Å; V503-L507 HydrophobicContact CG1-CD1 3.76Å; V503-L507 HydrophobicContact CG1-CG 4.29Å; V503-L507 WeakPolarHBondContact O-CB 3.15Å; V503-L507 WeakPolarHBondContact O-CG 3.41Å; V503-L507 PolarHBondContact O-N 3.36Å; V503-L520 HydrophobicContact CG2-CD1 4.25Å; V503-I523 HydrophobicContact CG2-CG2 4.01Å; V503-F524 HydrophobicContact CG1-CE2 4.42Å; V503-F524 HydrophobicContact CG2-CE2 4.22Å; V503-A534 HydrophobicContact CB-CB 3.83Å; V503-A534 HydrophobicContact CG1-CB 3.96Å; V503-A534 HydrophobicContact CG2-CB 4.19Å
504V86.9Confident83.8Confident47 Ų4758.8 Ų58.829%0.28533%0.332SS..Hα-helixtrans-61.6-43.5175.7171.80000110.9E500 L506 L507 S508 A538E500-V504 HydrophobicContact CG-CG2 4.49Å; E500-V504 WeakPolarHBondContact O-CB 3.25Å; E500-V504 VanDerWaalsContact O-CG2 3.24Å; E500-V504 WeakPolarHBondContact O-CG2 3.44Å; E500-V504 PolarHBondContact O-N 2.86Å; V504-L506 PolarHBondContact O-N 3.4Å; V504-L507 PolarHBondContact O-N 3Å; V504-S508 WeakPolarHBondContact O-CB 3.38Å; V504-S508 PolarHBondContact O-N 3.39Å; V504-S508 PolarHBondContact O-OG 3.19Å; V504-A538 HydrophobicContact CG2-CB 3.94Å
505R89.3Confident83.7Confident133 Ų13365 Ų6550%0.50236%0.359SS..Hα-helixtrans-60.1-43.6177.2-172.4-168.272.472.3-2.2112K501 E502 V503 S509K501-R505 VanDerWaalsContact O-CB 3.25Å; K501-R505 WeakPolarHBondContact O-CB 3.08Å; K501-R505 PolarHBondContact O-N 2.97Å; E502-R505 PolarHBondContact O-N 3.38Å; E502-R505 IonicContact OE1-CZ 3.49Å; E502-R505 IonicContact OE1-NE 3.24Å; E502-R505 PolarHBondContact OE1-NE 3.13Å; E502-R505 IonicContact OE1-NH2 2.66Å; E502-R505 PolarHBondContact OE1-NH2 3.31Å; E502-R505 IonicContact OE2-CZ 3.98Å; E502-R505 IonicContact OE2-NE 2.65Å; E502-R505 PolarHBondContact OE2-NE 3.11Å; E502-R505 IonicContact OE2-NH2 2.76Å; V503-R505 VanDerWaalsContact C-N 3.34Å; V503-R505 PolarHBondContact O-N 3.25Å; R505-S509 PolarHBondContact O-N 2.94Å
506L86.1Confident83.8Confident4 Ų465 Ų652%0.02136%0.358CS..Hα-helixtrans-71.5-37.8-180-71.7168.7000112.6E502 V503 V504 S509 L512 A516 Y519 L520 I523E502-L506 HydrophobicContact CG-CD1 4.22Å; E502-L506 WeakPolarHBondContact O-CB 3.29Å; E502-L506 VanDerWaalsContact O-CG 3.28Å; E502-L506 WeakPolarHBondContact O-CG 3.2Å; E502-L506 PolarHBondContact O-N 3.38Å; V503-L506 PolarHBondContact O-N 3.5Å; V504-L506 PolarHBondContact O-N 3.4Å; L506-S509 PolarHBondContact O-OG 2.83Å; L506-S509 VanDerWaalsContact O-OG 3.1Å; L506-L512 HydrophobicContact CB-CD1 4.44Å; L506-L512 HydrophobicContact CD2-CD1 4.25Å; L506-A516 HydrophobicContact CD2-CB 4.02Å; L506-Y519 HydrophobicContact CD1-CD1 3.98Å; L506-Y519 HydrophobicContact CD1-CE1 4.27Å; L506-L520 HydrophobicContact CB-CD1 4.33Å; L506-L520 HydrophobicContact CD1-CB 4.19Å; L506-L520 HydrophobicContact CD1-CD1 3.84Å; L506-I523 HydrophobicContact CD1-CD1 3.92Å
507L85.1Confident83.8Confident2 Ų265 Ų651%0.0135%0.353CS..Hα-helixtrans-78.5-21.3178.9-67.4178.1000113.5V503 V504 L520 A538 V557 V561 V578V503-L507 HydrophobicContact CG1-CD1 3.76Å; V503-L507 HydrophobicContact CG1-CG 4.29Å; V503-L507 WeakPolarHBondContact O-CB 3.15Å; V503-L507 WeakPolarHBondContact O-CG 3.41Å; V503-L507 PolarHBondContact O-N 3.36Å; V504-L507 PolarHBondContact O-N 3Å; L507-L520 HydrophobicContact CD2-CD2 4.32Å; L507-A538 HydrophobicContact CD1-CB 3.83Å; L507-V557 HydrophobicContact CB-CG1 4.26Å; L507-V561 HydrophobicContact CD2-CG2 4.47Å; L507-V578 HydrophobicContact CD2-CG1 3.62Å
508S82.2Confident83.8Confident70 Ų7066.4 Ų66.449%0.4936%0.358SS..THydrogen-bonded Turntrans-96.14.6178.4-48.50000113.2V504V504-S508 WeakPolarHBondContact O-CB 3.38Å; V504-S508 PolarHBondContact O-N 3.39Å; V504-S508 PolarHBondContact O-OG 3.19Å
509S79.8Confident84Confident37 Ų3768.9 Ų68.926%0.25936%0.364SS..SBendtrans-72.5150.3176.369.80000111.1R505 L506 E511R505-S509 PolarHBondContact O-N 2.94Å; L506-S509 PolarHBondContact O-OG 2.83Å; L506-S509 VanDerWaalsContact O-OG 3.1Å; S509-E511 VanDerWaalsContact C-N 3.28Å; S509-E511 PolarHBondContact O-N 3.48Å; S509-E511 PolarHBondContact OG-O 3.47Å
510S70.1Confident84Confident125 Ų12568.4 Ų68.487%0.87436%0.361SS*.SBendtrans-67.3-30.9179.454.20000112.8
511E74.9Confident84.1Confident166 Ų16666.2 Ų66.278%0.77635%0.351SS*.  trans-142.2141.7175.3-63.1-176.9172.300108.8S509S509-E511 VanDerWaalsContact C-N 3.28Å; S509-E511 PolarHBondContact O-N 3.48Å; S509-E511 PolarHBondContact OG-O 3.47Å
512L78.7Confident84.3Confident31 Ų3161.5 Ų61.516%0.16234%0.338CS..  trans-110.6110.3173.2-169.178.4000107.7L506 A516 L517 M560 V578L506-L512 HydrophobicContact CB-CD1 4.44Å; L506-L512 HydrophobicContact CD2-CD1 4.25Å; L512-A516 HydrophobicContact CD1-CB 3.64Å; L512-A516 HydrophobicContact CG-CB 4.22Å; L512-L517 HydrophobicContact CD2-CB 3.99Å; L512-L517 HydrophobicContact CD2-CD1 3.67Å; L512-L517 HydrophobicContact CD2-CG 4.41Å; L512-L517 HydrophobicContact CG-CB 4.34Å; L512-M560 HydrophobicContact CB-CE 3.5Å; L512-M560 VanDerWaalsContact CB-CE 3.5Å; L512-M560 HydrophobicContact CB-CG 4.37Å; L512-M560 HydrophobicContact CB-SD 3.47Å; L512-M560 WeakPolarHBondContact CB-SD 3.48Å; L512-M560 HydrophobicContact CD2-CE 4.48Å; L512-V578 HydrophobicContact CD2-CG2 3.76Å
513D81Confident84.4Confident97 Ų9759.8 Ų59.852%0.51933%0.33SS..  trans-77.5172.5176.767.416000111.8E515 A516 L517D513-E515 VanDerWaalsContact C-N 3.3Å; D513-E515 PolarHBondContact O-N 2.7Å; D513-E515 PolarHBondContact OD1-N 3.37Å; D513-A516 PolarHBondContact O-N 3.45Å; D513-A516 WeakPolarHBondContact OD1-CA 3.22Å; D513-A516 WeakPolarHBondContact OD1-CB 3.2Å; D513-A516 PolarHBondContact OD1-N 3.25Å; D513-L517 WeakPolarHBondContact O-CB 3.37Å; D513-L517 PolarHBondContact O-N 3.29Å
514G78.8Confident84.5Confident52 Ų5260.5 Ų60.554%0.53633%0.333SS..Hα-helixtrans-63.9-32-177.900000113.8L518G514-L518 WeakPolarHBondContact O-CG 3.33Å; G514-L518 PolarHBondContact O-N 3.16Å; G514-L518 VanDerWaalsContact O-N 3.08Å
515E80.8Confident84.6Confident155 Ų15562.8 Ų62.872%0.72435%0.351SS*.Hα-helixtrans-74.3-43.1178.7-67.8-175.3-18000111.4D513 L517 L518 Y519D513-E515 VanDerWaalsContact C-N 3.3Å; D513-E515 PolarHBondContact O-N 2.7Å; D513-E515 PolarHBondContact OD1-N 3.37Å; E515-L517 VanDerWaalsContact C-N 3.31Å; E515-L517 PolarHBondContact O-N 3.49Å; E515-L518 PolarHBondContact O-N 2.89Å; E515-Y519 WeakPolarHBondContact O-CB 3.29Å; E515-Y519 PolarHBondContact O-N 2.92Å
516A83.6Confident84.5Confident21 Ų2163 Ų6317%0.17436%0.359CS..Hα-helixtrans-64.5-35.9174.800000111.7L506 L512 D513 Y519 L520L506-A516 HydrophobicContact CD2-CB 4.02Å; L512-A516 HydrophobicContact CD1-CB 3.64Å; L512-A516 HydrophobicContact CG-CB 4.22Å; D513-A516 PolarHBondContact O-N 3.45Å; D513-A516 WeakPolarHBondContact OD1-CA 3.22Å; D513-A516 WeakPolarHBondContact OD1-CB 3.2Å; D513-A516 PolarHBondContact OD1-N 3.25Å; A516-Y519 PolarHBondContact O-N 3.21Å; A516-L520 WeakPolarHBondContact O-CB 3.44Å; A516-L520 PolarHBondContact O-N 2.95Å
517L86.1Confident84.6Confident15 Ų1567.1 Ų67.18%0.07938%0.377CS..Hα-helixtrans-67-44.2173.6-177.264.2000112L512 D513 E515 Y519 L520 N521 A575 L576 V578L512-L517 HydrophobicContact CD2-CB 3.99Å; L512-L517 HydrophobicContact CD2-CD1 3.67Å; L512-L517 HydrophobicContact CD2-CG 4.41Å; L512-L517 HydrophobicContact CG-CB 4.34Å; D513-L517 WeakPolarHBondContact O-CB 3.37Å; D513-L517 PolarHBondContact O-N 3.29Å; E515-L517 VanDerWaalsContact C-N 3.31Å; E515-L517 PolarHBondContact O-N 3.49Å; L517-Y519 VanDerWaalsContact C-N 3.29Å; L517-Y519 PolarHBondContact O-N 3.36Å; L517-L520 PolarHBondContact O-N 3.49Å; L517-N521 PolarHBondContact O-N 3.45Å; L517-N521 PolarHBondContact O-ND2 2.9Å; L517-A575 HydrophobicContact CD2-CB 4.05Å; L517-A575 HydrophobicContact CG-CB 3.96Å; L517-L576 WeakPolarHBondContact CD1-O 2.98Å; L517-V578 HydrophobicContact CD1-CG2 3.87Å
518L86.5Confident84.8Confident94 Ų9468.1 Ų68.149%0.49238%0.384SS..Hα-helixtrans-59.6-42.7173.3-81166.4000111.3G514 E515 N521 S522 A575G514-L518 WeakPolarHBondContact O-CG 3.33Å; G514-L518 PolarHBondContact O-N 3.16Å; G514-L518 VanDerWaalsContact O-N 3.08Å; E515-L518 PolarHBondContact O-N 2.89Å; L518-N521 WeakPolarHBondContact O-CB 3.1Å; L518-N521 PolarHBondContact O-N 3.04Å; L518-S522 PolarHBondContact O-N 2.72Å; L518-A575 HydrophobicContact CD2-CB 3.63Å; L518-A575 HydrophobicContact CG-CB 3.91Å
519Y89.8Confident85.1Confident116 Ų11667.6 Ų67.646%0.45538%0.38SS..Hα-helixtrans-64.4-43.9177-179.1-123.5000111.9E502 L506 E515 A516 L517 N521 S522 I523E502-Y519 HydrophobicContact CG-CE1 3.91Å; E502-Y519 VanDerWaalsContact OE1-CE1 3.3Å; E502-Y519 WeakPolarHBondContact OE1-CE1 3.43Å; L506-Y519 HydrophobicContact CD1-CD1 3.98Å; L506-Y519 HydrophobicContact CD1-CE1 4.27Å; E515-Y519 WeakPolarHBondContact O-CB 3.29Å; E515-Y519 PolarHBondContact O-N 2.92Å; A516-Y519 PolarHBondContact O-N 3.21Å; L517-Y519 VanDerWaalsContact C-N 3.29Å; L517-Y519 PolarHBondContact O-N 3.36Å; Y519-N521 VanDerWaalsContact C-N 3.32Å; Y519-N521 PolarHBondContact O-N 3.41Å; Y519-S522 WeakPolarHBondContact O-CA 3.45Å; Y519-S522 WeakPolarHBondContact O-CB 3.47Å; Y519-S522 PolarHBondContact O-N 3.3Å; Y519-S522 PolarHBondContact O-OG 3.49Å; Y519-I523 HydrophobicContact CD1-CD1 4.12Å; Y519-I523 HydrophobicContact CE1-CD1 3.72Å; Y519-I523 HydrophobicContact CE1-CG1 4.47Å; Y519-I523 HydrophobicContact CE2-CD1 4.4Å; Y519-I523 HydrophobicContact CE2-CG1 4.3Å; Y519-I523 WeakPolarHBondContact O-CG1 3.29Å; Y519-I523 PolarHBondContact O-N 2.95Å
520L89.3Confident85.7Confident0 Ų068.4 Ų68.40%038%0.38CS..Hα-helixtrans-58.3-43.8173.4-174.165.5000111.8V503 L506 L507 A516 L517 S522 I523 F524 V578V503-L520 HydrophobicContact CG2-CD1 4.25Å; L506-L520 HydrophobicContact CB-CD1 4.33Å; L506-L520 HydrophobicContact CD1-CB 4.19Å; L506-L520 HydrophobicContact CD1-CD1 3.84Å; L507-L520 HydrophobicContact CD2-CD2 4.32Å; A516-L520 WeakPolarHBondContact O-CB 3.44Å; A516-L520 PolarHBondContact O-N 2.95Å; L517-L520 PolarHBondContact O-N 3.49Å; L520-S522 VanDerWaalsContact C-N 3.29Å; L520-S522 PolarHBondContact O-N 3.07Å; L520-I523 PolarHBondContact O-N 3.3Å; L520-F524 HydrophobicContact CD1-CD2 4.1Å; L520-F524 HydrophobicContact CD1-CE2 3.8Å; L520-F524 HydrophobicContact CG-CD2 4.27Å; L520-F524 HydrophobicContact CG-CE2 4.22Å; L520-F524 WeakPolarHBondContact O-CD2 3.23Å; L520-F524 PolarHBondContact O-N 3.34Å; L520-F524 VanDerWaalsContact O-N 3.1Å; L520-V578 HydrophobicContact CD2-CG1 4.48Å; L520-V578 HydrophobicContact CD2-CG2 4Å
521N90.6Very high86.7Confident30 Ų3062.4 Ų62.416%0.1634%0.338CS..Hα-helixtrans-58.6-40.9174.2-85-105.5000111.8L517 L518 Y519 F524 S525 L576 L581L517-N521 PolarHBondContact O-N 3.45Å; L517-N521 PolarHBondContact O-ND2 2.9Å; L518-N521 WeakPolarHBondContact O-CB 3.1Å; L518-N521 PolarHBondContact O-N 3.04Å; Y519-N521 VanDerWaalsContact C-N 3.32Å; Y519-N521 PolarHBondContact O-N 3.41Å; N521-F524 PolarHBondContact O-N 3.37Å; N521-S525 PolarHBondContact O-N 3.33Å; N521-L576 PolarHBondContact ND2-O 3.37Å; N521-L576 WeakPolarHBondContact OD1-CB 3.09Å; N521-L576 PolarHBondContact OD1-N 2.9Å; N521-L581 HydrophobicContact CB-CD1 4.14Å
522S91.6Very high87.5Confident51 Ų5155 Ų5536%0.35730%0.303SS..Hα-helixtrans-64.2-39176.281.20000112.6L518 Y519 L520 S525 M526L518-S522 PolarHBondContact O-N 2.72Å; Y519-S522 WeakPolarHBondContact O-CA 3.45Å; Y519-S522 WeakPolarHBondContact O-CB 3.47Å; Y519-S522 PolarHBondContact O-N 3.3Å; Y519-S522 PolarHBondContact O-OG 3.49Å; L520-S522 VanDerWaalsContact C-N 3.29Å; L520-S522 PolarHBondContact O-N 3.07Å; S522-S525 PolarHBondContact O-N 3.16Å; S522-M526 WeakPolarHBondContact O-CB 3.42Å; S522-M526 VanDerWaalsContact O-CG 3.27Å; S522-M526 WeakPolarHBondContact O-CG 3.15Å; S522-M526 PolarHBondContact O-N 2.77Å
523I91Very high88.1Confident10 Ų1056.5 Ų56.55%0.05132%0.316CS..Hα-helixtrans-62.4-46.4176.7-66169.9000110.3V499 E502 V503 L506 Y519 L520 S525 M526 F527 A531V499-I523 HydrophobicContact CG1-CG2 3.84Å; E502-I523 HydrophobicContact CB-CD1 4.48Å; E502-I523 HydrophobicContact CG-CD1 3.8Å; V503-I523 HydrophobicContact CG2-CG2 4.01Å; L506-I523 HydrophobicContact CD1-CD1 3.92Å; Y519-I523 HydrophobicContact CD1-CD1 4.12Å; Y519-I523 HydrophobicContact CE1-CD1 3.72Å; Y519-I523 HydrophobicContact CE1-CG1 4.47Å; Y519-I523 HydrophobicContact CE2-CD1 4.4Å; Y519-I523 HydrophobicContact CE2-CG1 4.3Å; Y519-I523 WeakPolarHBondContact O-CG1 3.29Å; Y519-I523 PolarHBondContact O-N 2.95Å; L520-I523 PolarHBondContact O-N 3.3Å; I523-S525 VanDerWaalsContact C-N 3.29Å; I523-S525 PolarHBondContact O-N 2.87Å; I523-M526 PolarHBondContact O-N 2.69Å; I523-F527 PolarHBondContact O-N 3.06Å; I523-A531 HydrophobicContact CG2-CB 4.21Å
524F91.4Very high88.5Confident15 Ų1552 Ų527%0.06629%0.292CS..Hα-helixtrans-67.5-28.7179.1-87.5-105.6000113.4V503 L520 N521 P528 A531 A535 L581 L582 S585V503-F524 HydrophobicContact CG1-CE2 4.42Å; V503-F524 HydrophobicContact CG2-CE2 4.22Å; L520-F524 HydrophobicContact CD1-CD2 4.1Å; L520-F524 HydrophobicContact CD1-CE2 3.8Å; L520-F524 HydrophobicContact CG-CD2 4.27Å; L520-F524 HydrophobicContact CG-CE2 4.22Å; L520-F524 WeakPolarHBondContact O-CD2 3.23Å; L520-F524 PolarHBondContact O-N 3.34Å; L520-F524 VanDerWaalsContact O-N 3.1Å; N521-F524 PolarHBondContact O-N 3.37Å; F524-P528 WeakPolarHBondContact O-CA 3.44Å; F524-P528 WeakPolarHBondContact O-CB 3.29Å; F524-A531 HydrophobicContact CB-CB 4.45Å; F524-A531 HydrophobicContact CD1-CB 3.85Å; F524-A531 HydrophobicContact CD2-CB 3.71Å; F524-A531 HydrophobicContact CE1-CB 3.96Å; F524-A531 HydrophobicContact CE2-CB 3.82Å; F524-A531 HydrophobicContact CG-CB 3.74Å; F524-A531 HydrophobicContact CZ-CB 3.96Å; F524-A535 HydrophobicContact CZ-CB 4.11Å; F524-L581 HydrophobicContact CB-CD1 3.93Å; F524-L581 HydrophobicContact CB-CD2 4.35Å; F524-L581 HydrophobicContact CB-CG 4.19Å; F524-L581 HydrophobicContact CD1-CD2 3.55Å; F524-L581 HydrophobicContact CD1-CG 3.97Å; F524-L581 HydrophobicContact CD2-CD1 4.28Å; F524-L581 HydrophobicContact CD2-CD2 3.59Å; F524-L581 HydrophobicContact CD2-CG 4.32Å; F524-L581 HydrophobicContact CE1-CD2 3.56Å; F524-L581 HydrophobicContact CE1-CG 4.42Å; F524-L581 HydrophobicContact CE2-CD2 3.59Å; F524-L581 HydrophobicContact CG-CD1 4.02Å; F524-L581 HydrophobicContact CG-CD2 3.55Å; F524-L581 HydrophobicContact CG-CG 3.9Å; F524-L581 HydrophobicContact CZ-CD2 3.56Å; F524-L582 HydrophobicContact CE1-CD2 4.1Å; F524-L582 HydrophobicContact CZ-CD2 3.98Å; F524-S585 VanDerWaalsContact CD1-OG 3.29Å; F524-S585 WeakPolarHBondContact CD1-OG 3.47Å; F524-S585 WeakPolarHBondContact CE1-OG 3.37Å
525S89.3Confident89.1Confident94 Ų9449.5 Ų49.566%0.65727%0.266SS*.Hα-helixtrans-72.5-44.9173.3-173.20000112N521 S522 I523N521-S525 PolarHBondContact O-N 3.33Å; S522-S525 PolarHBondContact O-N 3.16Å; I523-S525 VanDerWaalsContact C-N 3.29Å; I523-S525 PolarHBondContact O-N 2.87Å
526M87.6Confident89.6Confident139 Ų13944.1 Ų44.169%0.68524%0.241SC*.Hα-helixtrans-78.3-36.9-176.2-67.8-72.6-74.600113.3S522 I523S522-M526 WeakPolarHBondContact O-CB 3.42Å; S522-M526 VanDerWaalsContact O-CG 3.27Å; S522-M526 WeakPolarHBondContact O-CG 3.15Å; S522-M526 PolarHBondContact O-N 2.77Å; I523-M526 PolarHBondContact O-N 2.69Å
527F89.3Confident89.8Confident89 Ų8946.5 Ų46.539%0.3925%0.253SS..SBendtrans-130.161.1-174.1-56.4-76.7000111.9V499 I523 S529 Q530 A531V499-F527 HydrophobicContact CG1-CB 4.43Å; V499-F527 HydrophobicContact CG2-CB 3.92Å; V499-F527 HydrophobicContact CG2-CD1 4.38Å; V499-F527 HydrophobicContact CG2-CD2 3.8Å; V499-F527 HydrophobicContact CG2-CE2 4.41Å; V499-F527 HydrophobicContact CG2-CG 3.78Å; I523-F527 PolarHBondContact O-N 3.06Å; F527-S529 PolarHBondContact O-N 3.35Å; F527-Q530 HydrophobicContact CB-CB 4.26Å; F527-Q530 PolarHBondContact O-N 3.2Å; F527-A531 WeakPolarHBondContact O-CB 3.17Å; F527-A531 PolarHBondContact O-N 3.49Å
528P89.1Confident89.9Confident23 Ų2346.4 Ų46.415%0.14926%0.255CS..Hα-helixtrans-62.7-40.4-166.825.6-35.9000113.4F524 W532 F589F524-P528 WeakPolarHBondContact O-CA 3.44Å; F524-P528 WeakPolarHBondContact O-CB 3.29Å; P528-W532 WeakPolarHBondContact O-CB 3.16Å; P528-W532 PolarHBondContact O-N 2.83Å; P528-F589 HydrophobicContact CB-CE2 4.2Å; P528-F589 HydrophobicContact CB-CZ 3.91Å; P528-F589 VanDerWaalsContact O-CE2 3.26Å; P528-F589 WeakPolarHBondContact O-CE2 3.48Å
529S88.9Confident90Very high60 Ų6042 Ų4242%0.4223%0.232SC..Hα-helixtrans-70-44.5179.335.40000112.7F527 S533F527-S529 PolarHBondContact O-N 3.35Å; S529-S533 PolarHBondContact O-N 2.9Å
530Q90.6Very high89.9Confident53 Ų5340.6 Ų40.625%0.24823%0.229CC..Hα-helixtrans-69.8-41.2-178.9-62.680.8-10.700110.3V499 F527 S533 A534V499-Q530 HydrophobicContact CB-CB 4.08Å; V499-Q530 HydrophobicContact CG1-CB 3.88Å; V499-Q530 HydrophobicContact CG2-CB 4.38Å; F527-Q530 HydrophobicContact CB-CB 4.26Å; F527-Q530 PolarHBondContact O-N 3.2Å; Q530-S533 PolarHBondContact O-N 3.46Å; Q530-A534 VanDerWaalsContact O-CB 3.27Å; Q530-A534 WeakPolarHBondContact O-CB 3.35Å; Q530-A534 PolarHBondContact O-N 3.2Å
531A91.6Very high89.8Confident0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-65.7-39.7177.300000112.1V499 I523 F524 F527 A534 A535V499-A531 HydrophobicContact CG1-CB 4.14Å; I523-A531 HydrophobicContact CG2-CB 4.21Å; F524-A531 HydrophobicContact CB-CB 4.45Å; F524-A531 HydrophobicContact CD1-CB 3.85Å; F524-A531 HydrophobicContact CD2-CB 3.71Å; F524-A531 HydrophobicContact CE1-CB 3.96Å; F524-A531 HydrophobicContact CE2-CB 3.82Å; F524-A531 HydrophobicContact CG-CB 3.74Å; F524-A531 HydrophobicContact CZ-CB 3.96Å; F527-A531 WeakPolarHBondContact O-CB 3.17Å; F527-A531 PolarHBondContact O-N 3.49Å; A531-A534 PolarHBondContact O-N 3.09Å; A531-A535 WeakPolarHBondContact O-CB 3.22Å; A531-A535 PolarHBondContact O-N 3.23Å
532W92.1Very high89.4Confident11 Ų1144.1 Ų44.14%0.04225%0.245CC..Hα-helixtrans-63.8-47.3173.1176.1-121.2000112.1P528 A534 A535 Q536 L541 L582 S585 V586 F589P528-W532 WeakPolarHBondContact O-CB 3.16Å; P528-W532 PolarHBondContact O-N 2.83Å; W532-A534 VanDerWaalsContact C-N 3.3Å; W532-A534 PolarHBondContact O-N 2.95Å; W532-A535 HydrophobicContact CE3-CB 4.44Å; W532-A535 PolarHBondContact O-N 3.39Å; W532-Q536 HydrophobicContact CD2-CG 4.22Å; W532-Q536 HydrophobicContact CH2-CG 4.11Å; W532-Q536 HydrophobicContact CZ2-CG 3.77Å; W532-Q536 VanDerWaalsContact CZ2-NE2 3.33Å; W532-Q536 VanDerWaalsContact NE1-NE2 3.19Å; W532-Q536 WeakPolarHBondContact O-CG 3.42Å; W532-Q536 PolarHBondContact O-N 3.47Å; W532-L541 HydrophobicContact CH2-CD1 4.29Å; W532-L582 HydrophobicContact CZ3-CD2 4.33Å; W532-S585 VanDerWaalsContact CE3-CB 3.48Å; W532-V586 HydrophobicContact CH2-CB 4.38Å; W532-V586 HydrophobicContact CH2-CG2 3.22Å; W532-V586 HydrophobicContact CZ2-CG2 3.87Å; W532-V586 HydrophobicContact CZ3-CG2 3.67Å; W532-F589 HydrophobicContact CB-CD2 3.73Å; W532-F589 HydrophobicContact CB-CE2 3.83Å; W532-F589 AromaticContact CD1-CD2 3.62Å; W532-F589 AromaticContact CD1-CG 3.8Å; W532-F589 HydrophobicContact CG-CB 4.48Å; W532-F589 AromaticContact CG-CD2 3.66Å; W532-F589 HydrophobicContact CG-CD2 3.66Å; W532-F589 HydrophobicContact CG-CE2 4.29Å; W532-F589 HydrophobicContact CG-CG 4.31Å
533S90.7Very high88.8Confident61 Ų6145.7 Ų45.743%0.42725%0.247SC..Hα-helixtrans-58-43.9174.8-172.80000111.6S529 Q530 A535 Q536 V537S529-S533 PolarHBondContact O-N 2.9Å; Q530-S533 PolarHBondContact O-N 3.46Å; S533-A535 PolarHBondContact O-N 3.08Å; S533-Q536 WeakPolarHBondContact O-CB 3.44Å; S533-Q536 PolarHBondContact O-N 2.91Å; S533-V537 WeakPolarHBondContact O-CG2 3.35Å; S533-V537 PolarHBondContact O-N 2.8Å
534A90.9Very high87.9Confident2 Ų248.3 Ų48.32%0.01726%0.261CS..Hα-helixtrans-62.1-41.317700000112.7E500 V503 Q530 A531 W532 V537 A538E500-A534 HydrophobicContact CB-CB 4.13Å; E500-A534 HydrophobicContact CG-CB 4.21Å; V503-A534 HydrophobicContact CB-CB 3.83Å; V503-A534 HydrophobicContact CG1-CB 3.96Å; V503-A534 HydrophobicContact CG2-CB 4.19Å; Q530-A534 VanDerWaalsContact O-CB 3.27Å; Q530-A534 WeakPolarHBondContact O-CB 3.35Å; Q530-A534 PolarHBondContact O-N 3.2Å; A531-A534 PolarHBondContact O-N 3.09Å; W532-A534 VanDerWaalsContact C-N 3.3Å; W532-A534 PolarHBondContact O-N 2.95Å; A534-V537 PolarHBondContact O-N 2.89Å; A534-A538 WeakPolarHBondContact O-CB 3.33Å; A534-A538 PolarHBondContact O-N 3.29Å
535A90.9Very high86.3Confident0 Ų052 Ų520%030%0.303CS..Hα-helixtrans-65.7-37.9175.700000112.3F524 A531 W532 S533 V537 A538 L539 L582F524-A535 HydrophobicContact CZ-CB 4.11Å; A531-A535 WeakPolarHBondContact O-CB 3.22Å; A531-A535 PolarHBondContact O-N 3.23Å; W532-A535 HydrophobicContact CE3-CB 4.44Å; W532-A535 PolarHBondContact O-N 3.39Å; S533-A535 PolarHBondContact O-N 3.08Å; A535-V537 VanDerWaalsContact C-N 3.31Å; A535-V537 PolarHBondContact O-N 3.41Å; A535-A538 PolarHBondContact O-N 3.33Å; A535-L539 VanDerWaalsContact O-CB 3.29Å; A535-L539 WeakPolarHBondContact O-CB 3.28Å; A535-L539 WeakPolarHBondContact O-CG 3.41Å; A535-L539 PolarHBondContact O-N 3.47Å; A535-L582 HydrophobicContact CB-CD2 3.52Å
536Q90Very high84.8Confident42 Ų4256.2 Ų56.220%0.19631%0.313CS..Hα-helixtrans-61.3-40.7173.3-70.4179.5-35.600111.7W532 S533 Q540 L541 Q590W532-Q536 HydrophobicContact CD2-CG 4.22Å; W532-Q536 HydrophobicContact CH2-CG 4.11Å; W532-Q536 HydrophobicContact CZ2-CG 3.77Å; W532-Q536 VanDerWaalsContact CZ2-NE2 3.33Å; W532-Q536 VanDerWaalsContact NE1-NE2 3.19Å; W532-Q536 WeakPolarHBondContact O-CG 3.42Å; W532-Q536 PolarHBondContact O-N 3.47Å; S533-Q536 WeakPolarHBondContact O-CB 3.44Å; S533-Q536 PolarHBondContact O-N 2.91Å; Q536-Q540 WeakPolarHBondContact O-CA 3.12Å; Q536-Q540 PolarHBondContact O-N 2.91Å; Q536-L541 HydrophobicContact CG-CD1 4.31Å; Q536-L541 PolarHBondContact O-N 2.72Å; Q536-Q590 VanDerWaalsContact NE2-OE1 3.15Å
537V88.6Confident83.7Confident71 Ų7150.6 Ų50.643%0.4329%0.29SS..Hα-helixtrans-67.3-48.2175.4174.10000111.1S533 A534 A535 L539 Q540S533-V537 WeakPolarHBondContact O-CG2 3.35Å; S533-V537 PolarHBondContact O-N 2.8Å; A534-V537 PolarHBondContact O-N 2.89Å; A535-V537 VanDerWaalsContact C-N 3.31Å; A535-V537 PolarHBondContact O-N 3.41Å; V537-L539 VanDerWaalsContact C-N 3.31Å; V537-L539 PolarHBondContact O-N 3.11Å; V537-Q540 WeakPolarHBondContact O-CG 2.99Å; V537-Q540 PolarHBondContact O-N 3.3Å
538A88.8Confident82.9Confident14 Ų1448.8 Ų48.812%0.11629%0.288CS..Hα-helixtrans-59.3-41.6179.300000112.2V504 L507 A534 A535 Q540V504-A538 HydrophobicContact CG2-CB 3.94Å; L507-A538 HydrophobicContact CD1-CB 3.83Å; A534-A538 WeakPolarHBondContact O-CB 3.33Å; A534-A538 PolarHBondContact O-N 3.29Å; A535-A538 PolarHBondContact O-N 3.33Å; A538-Q540 VanDerWaalsContact C-N 3.31Å
539L87.8Confident82.6Confident0 Ų048.2 Ų48.20%028%0.284CS..THydrogen-bonded Turntrans-85.4-3.6177.2-67.4172.2000113.4A535 V537 L541 S551 A553 V557 W558 V561 L582 F597A535-L539 VanDerWaalsContact O-CB 3.29Å; A535-L539 WeakPolarHBondContact O-CB 3.28Å; A535-L539 WeakPolarHBondContact O-CG 3.41Å; A535-L539 PolarHBondContact O-N 3.47Å; V537-L539 VanDerWaalsContact C-N 3.31Å; V537-L539 PolarHBondContact O-N 3.11Å; L539-L541 VanDerWaalsContact C-N 3.25Å; L539-L541 HydrophobicContact CB-CD1 4.27Å; L539-L541 HydrophobicContact CB-CD2 4.04Å; L539-L541 HydrophobicContact CB-CG 3.74Å; L539-L541 HydrophobicContact CD1-CD1 4.36Å; L539-L541 PolarHBondContact O-N 3.19Å; L539-S551 WeakPolarHBondContact O-CB 3.23Å; L539-S551 PolarHBondContact O-OG 3Å; L539-A553 WeakPolarHBondContact O-CB 3.31Å; L539-V557 HydrophobicContact CD2-CG1 3.84Å; L539-W558 HydrophobicContact CD2-CD2 4.2Å; L539-W558 HydrophobicContact CD2-CH2 4.49Å; L539-W558 HydrophobicContact CD2-CZ2 4.1Å; L539-V561 HydrophobicContact CD2-CG2 4Å; L539-L582 HydrophobicContact CD1-CD1 3.71Å; L539-F597 HydrophobicContact CD1-CE2 4.37Å
540Q88Confident82.5Confident87 Ų8746.9 Ų46.941%0.40728%0.275SS..THydrogen-bonded Turntrans45.451.4-176.2-58.2-178.614.800111.6Q536 V537 A538 H542 R552Q536-Q540 WeakPolarHBondContact O-CA 3.12Å; Q536-Q540 PolarHBondContact O-N 2.91Å; V537-Q540 WeakPolarHBondContact O-CG 2.99Å; V537-Q540 PolarHBondContact O-N 3.3Å; A538-Q540 VanDerWaalsContact C-N 3.31Å; Q540-H542 PolarHBondContact O-CD2 3Å; Q540-H542 PolarHBondContact O-N 3.17Å; Q540-R552 HydrophobicContact CB-CB 4.13Å; Q540-R552 PolarHBondContact OE1-O 3.35Å
541L86.9Confident82.4Confident15 Ų1545.4 Ų45.48%0.07927%0.27CS..EExtended strand (participates in β ladder)trans-75.8122.9-176.9-65.8178.1000110.2W532 Q536 L539 L549 S550 W558 F597 L600W532-L541 HydrophobicContact CH2-CD1 4.29Å; Q536-L541 HydrophobicContact CG-CD1 4.31Å; Q536-L541 PolarHBondContact O-N 2.72Å; L539-L541 VanDerWaalsContact C-N 3.25Å; L539-L541 HydrophobicContact CB-CD1 4.27Å; L539-L541 HydrophobicContact CB-CD2 4.04Å; L539-L541 HydrophobicContact CB-CG 3.74Å; L539-L541 HydrophobicContact CD1-CD1 4.36Å; L539-L541 PolarHBondContact O-N 3.19Å; L541-L549 HydrophobicContact CB-CD1 4.46Å; L541-L549 HydrophobicContact CD2-CD2 4.24Å; L541-L549 HydrophobicContact CD2-CG 4.46Å; L541-S550 WeakPolarHBondContact CA-O 3.36Å; L541-W558 HydrophobicContact CD2-CZ2 4.32Å; L541-F597 HydrophobicContact CD1-CD2 4.36Å; L541-F597 HydrophobicContact CD1-CE2 4.26Å; L541-L600 HydrophobicContact CD2-CD2 3.64Å
542H83Confident82.1Confident89 Ų8954.6 Ų54.641%0.41231%0.305SS..EExtended strand (participates in β ladder)trans-124.9135.6176.6-60.8-66.9000110.8Q540 S550Q540-H542 PolarHBondContact O-CD2 3Å; Q540-H542 PolarHBondContact O-N 3.17Å; H542-S550 PolarHBondContact N-O 2.96Å; H542-S550 PolarHBondContact O-N 2.83Å
543H77.4Confident81.7Confident85 Ų8554.8 Ų54.839%0.39431%0.309SS..EExtended strand (participates in β ladder)trans-89.3113.8170.7-163.3-86.1000108.3W593 R596H543-W593 HydrophobicContact CB-CH2 4.28Å; H543-W593 HydrophobicContact CB-CZ2 3.93Å; H543-W593 AromaticContact CD2-CE2 3.77Å; H543-W593 AromaticContact CD2-CZ2 3.84Å; H543-W593 AromaticContact CD2-NE1 3.68Å; H543-R596 PolarHBondContact CE1-NH1 2.92Å; H543-R596 PolarHBondContact NE2-NH1 3.36Å
544N72.6Confident81.4Confident64 Ų6454.2 Ų54.234%0.34231%0.308SS..  trans-78145.9177.9-63.3-14.7000108.6E546 G547 S548 S550N544-E546 PolarHBondContact O-N 3.27Å; N544-G547 PolarHBondContact O-N 2.73Å; N544-S548 PolarHBondContact N-O 3.39Å; N544-S548 PolarHBondContact ND2-OG 3.28Å; N544-S550 PolarHBondContact ND2-OG 2.98Å; N544-S550 PolarHBondContact OD1-OG 2.83Å; N544-S550 VanDerWaalsContact OD1-OG 3.11Å
545G58.6Low81Confident93 Ų9358.8 Ų58.896%0.95934%0.337SS*.THydrogen-bonded Turntrans-56.6-14.9179.100000114.9G547G545-G547 VanDerWaalsContact C-N 3.28Å
546E57.6Low80.6Confident183 Ų18364.7 Ų64.786%0.85537%0.369SS*.THydrogen-bonded Turntrans-82.51.8173.1-62.9-177.5165.600113.9N544N544-E546 PolarHBondContact O-N 3.27Å
547G65.3Low80.4Confident21 Ų2163.3 Ų63.322%0.21636%0.363CS..SBendtrans80.512.2-179.100000114.7N544 G545 R596N544-G547 PolarHBondContact O-N 2.73Å; G545-G547 VanDerWaalsContact C-N 3.28Å; G547-R596 WeakPolarHBondContact O-CD 3.5Å; G547-R596 PolarHBondContact O-NE 2.81Å; G547-R596 PolarHBondContact O-NH1 3.49Å
548S70.7Confident80.3Confident50 Ų5060.1 Ų60.135%0.3534%0.343SS..  trans-95.3145172.857.70000111.8N544N544-S548 PolarHBondContact N-O 3.39Å; N544-S548 PolarHBondContact ND2-OG 3.28Å
549L84.3Confident80.2Confident12 Ų1266.5 Ų66.56%0.06337%0.368CS..EExtended strand (participates in β ladder)trans-93.5127.1172.5-170.174.7000108.6L541 W593 R596 F597 L600L541-L549 HydrophobicContact CB-CD1 4.46Å; L541-L549 HydrophobicContact CD2-CD2 4.24Å; L541-L549 HydrophobicContact CD2-CG 4.46Å; L549-W593 HydrophobicContact CD1-CD2 4.2Å; L549-W593 HydrophobicContact CD1-CE3 3.59Å; L549-W593 HydrophobicContact CD1-CH2 4.13Å; L549-W593 HydrophobicContact CD1-CZ3 3.56Å; L549-W593 HydrophobicContact CD2-CE3 4.45Å; L549-R596 HydrophobicContact CB-CB 3.87Å; L549-F597 HydrophobicContact CD2-CB 3.97Å; L549-F597 HydrophobicContact CD2-CD2 4.03Å; L549-L600 HydrophobicContact CD2-CD2 3.9Å; L549-L600 HydrophobicContact CG-CD2 4.01Å
550S85.4Confident80.1Confident31 Ų3167.6 Ų67.622%0.21737%0.374CS..EExtended strand (participates in β ladder)trans-122.5155.6178.467.70000111.6L541 H542 N544L541-S550 WeakPolarHBondContact CA-O 3.36Å; H542-S550 PolarHBondContact N-O 2.96Å; H542-S550 PolarHBondContact O-N 2.83Å; N544-S550 PolarHBondContact ND2-OG 2.98Å; N544-S550 PolarHBondContact OD1-OG 2.83Å; N544-S550 VanDerWaalsContact OD1-OG 3.11Å
551S88.3Confident80.1Confident22 Ų2263.4 Ų63.415%0.15435%0.354CS..EExtended strand (participates in β ladder)trans-130.4142.2175.8171.80000110.3L539 A553 W558L539-S551 WeakPolarHBondContact O-CB 3.23Å; L539-S551 PolarHBondContact O-OG 3Å; S551-A553 PolarHBondContact OG-N 2.86Å; S551-W558 PolarHBondContact OG-NE1 3.28Å
552R85.2Confident80Confident194 Ų19463.7 Ų63.773%0.73236%0.356SS*.  trans-112.39.3172.1-67.4-178.3-178.1-170.61.3113Q540Q540-R552 HydrophobicContact CB-CB 4.13Å; Q540-R552 PolarHBondContact OE1-O 3.35Å
553A85.6Confident79.9Confident14 Ų1462.3 Ų62.312%0.11635%0.354CS..  trans-68.5153.7179.500000112.3L539 S551L539-A553 WeakPolarHBondContact O-CB 3.31Å; S551-A553 PolarHBondContact OG-N 2.86Å
554A84.3Confident79.5Confident49 Ų4961 Ų6141%0.40535%0.352SS..  trans-62.9149.3178.700000111.6D556 V557 W558A554-D556 PolarHBondContact O-N 2.82Å; A554-D556 VanDerWaalsContact O-N 3.16Å; A554-V557 HydrophobicContact CB-CG2 4.44Å; A554-V557 PolarHBondContact O-N 2.77Å; A554-V557 VanDerWaalsContact O-N 3.15Å; A554-W558 PolarHBondContact O-N 2.73Å
555P81.9Confident79Confident98 Ų9860.6 Ų60.664%0.63635%0.354SS*.Hα-helixtrans-56.3-31.4177.5-25.534.3000113.7V557 W558 K559P555-V557 PolarHBondContact O-N 2.87Å; P555-W558 PolarHBondContact O-N 3.08Å; P555-K559 WeakPolarHBondContact O-CB 3.48Å; P555-K559 PolarHBondContact O-N 3Å
556D82Confident78.5Confident124 Ų12462 Ų6266%0.66335%0.346SS*.Hα-helixtrans-64.4-39.4179.9-61.2-37.9000112.2A554 K559 M560A554-D556 PolarHBondContact O-N 2.82Å; A554-D556 VanDerWaalsContact O-N 3.16Å; D556-K559 WeakPolarHBondContact O-CB 3.43Å; D556-K559 PolarHBondContact O-N 3.4Å; D556-M560 PolarHBondContact O-N 3.39Å
557V85.4Confident78Confident13 Ų1360.3 Ų60.38%0.07934%0.343CS..Hα-helixtrans-65.2-42.7175.9-177.90000110.1L507 L539 A554 P555 M560 V561L507-V557 HydrophobicContact CB-CG1 4.26Å; L539-V557 HydrophobicContact CD2-CG1 3.84Å; A554-V557 HydrophobicContact CB-CG2 4.44Å; A554-V557 PolarHBondContact O-N 2.77Å; A554-V557 VanDerWaalsContact O-N 3.15Å; P555-V557 PolarHBondContact O-N 2.87Å; V557-M560 WeakPolarHBondContact O-CB 3.42Å; V557-M560 PolarHBondContact O-N 3.49Å; V557-V561 WeakPolarHBondContact O-CG2 3.46Å; V557-V561 PolarHBondContact O-N 2.8Å
558W87.7Confident76.8Confident4 Ų464.4 Ų64.42%0.01537%0.369CS..Hα-helixtrans-66.8-37.3176.2-83.8107.5000112.9L539 L541 S551 A554 P555 M560 V561 L562 F597 L600 Q604L539-W558 HydrophobicContact CD2-CD2 4.2Å; L539-W558 HydrophobicContact CD2-CH2 4.49Å; L539-W558 HydrophobicContact CD2-CZ2 4.1Å; L541-W558 HydrophobicContact CD2-CZ2 4.32Å; S551-W558 PolarHBondContact OG-NE1 3.28Å; A554-W558 PolarHBondContact O-N 2.73Å; P555-W558 PolarHBondContact O-N 3.08Å; W558-M560 PolarHBondContact O-N 2.74Å; W558-V561 HydrophobicContact CE3-CB 4.46Å; W558-V561 HydrophobicContact CE3-CG1 4.44Å; W558-V561 HydrophobicContact CZ3-CG1 4.42Å; W558-V561 PolarHBondContact O-N 2.84Å; W558-L562 HydrophobicContact CE3-CD1 4.47Å; W558-L562 HydrophobicContact CE3-CG 4.42Å; W558-L562 WeakPolarHBondContact O-CB 3.28Å; W558-L562 VanDerWaalsContact O-CG 3.23Å; W558-L562 WeakPolarHBondContact O-CG 3.38Å; W558-L562 PolarHBondContact O-N 3.44Å; W558-F597 HydrophobicContact CH2-CE2 4.02Å; W558-L600 HydrophobicContact CH2-CD2 4.09Å; W558-L600 HydrophobicContact CH2-CG 4.11Å; W558-L600 HydrophobicContact CZ2-CD2 3.93Å; W558-L600 HydrophobicContact CZ2-CG 4.07Å; W558-Q604 HydrophobicContact CB-CB 4.29Å; W558-Q604 HydrophobicContact CD2-CB 3.96Å; W558-Q604 HydrophobicContact CD2-CG 3.71Å; W558-Q604 HydrophobicContact CE3-CB 4.15Å; W558-Q604 HydrophobicContact CE3-CG 4.18Å; W558-Q604 HydrophobicContact CG-CB 4.02Å; W558-Q604 HydrophobicContact CG-CG 3.93Å; W558-Q604 HydrophobicContact CZ2-CG 4.25Å
559K85.9Confident75.2Confident148 Ų14870.2 Ų70.264%0.64339%0.39SS*.Hα-helixtrans-57.8-43171.5-174.3-175.6177.1-170.90110.1P555 D556 V561 L562 T563P555-K559 WeakPolarHBondContact O-CB 3.48Å; P555-K559 PolarHBondContact O-N 3Å; D556-K559 WeakPolarHBondContact O-CB 3.43Å; D556-K559 PolarHBondContact O-N 3.4Å; K559-V561 PolarHBondContact O-N 3.11Å; K559-L562 PolarHBondContact O-N 3.09Å; K559-T563 WeakPolarHBondContact O-CB 3.43Å; K559-T563 PolarHBondContact O-N 3.1Å; K559-T563 PolarHBondContact O-OG1 2.86Å
560M85.4Confident73.1Confident23 Ų2376 Ų7611%0.11343%0.428CS..Hα-helixtrans-63.1-44.4178.6-162.568.1-93.300112L512 D556 V557 W558 L562L512-M560 HydrophobicContact CB-CE 3.5Å; L512-M560 VanDerWaalsContact CB-CE 3.5Å; L512-M560 HydrophobicContact CB-CG 4.37Å; L512-M560 HydrophobicContact CB-SD 3.47Å; L512-M560 WeakPolarHBondContact CB-SD 3.48Å; L512-M560 HydrophobicContact CD2-CE 4.48Å; D556-M560 PolarHBondContact O-N 3.39Å; V557-M560 WeakPolarHBondContact O-CB 3.42Å; V557-M560 PolarHBondContact O-N 3.49Å; W558-M560 PolarHBondContact O-N 2.74Å; M560-L562 PolarHBondContact O-N 2.63Å
561V87.7Confident70.9Confident0 Ų078 Ų780%045%0.446CS..Hα-helixtrans-61.7-43.3177.3171.90000112.4L507 L539 V557 W558 K559 V578 F579 L582L507-V561 HydrophobicContact CD2-CG2 4.47Å; L539-V561 HydrophobicContact CD2-CG2 4Å; V557-V561 WeakPolarHBondContact O-CG2 3.46Å; V557-V561 PolarHBondContact O-N 2.8Å; W558-V561 HydrophobicContact CE3-CB 4.46Å; W558-V561 HydrophobicContact CE3-CG1 4.44Å; W558-V561 HydrophobicContact CZ3-CG1 4.42Å; W558-V561 PolarHBondContact O-N 2.84Å; K559-V561 PolarHBondContact O-N 3.11Å; V561-V578 HydrophobicContact CB-CG1 4.35Å; V561-V578 HydrophobicContact CG1-CG1 4.47Å; V561-V578 HydrophobicContact CG2-CG1 3.92Å; V561-F579 HydrophobicContact CG1-CB 4.34Å; V561-F579 WeakPolarHBondContact O-CB 3.37Å; V561-F579 PolarHBondContact O-N 3.27Å; V561-L582 HydrophobicContact CG1-CD1 3.81Å; V561-L582 HydrophobicContact CG2-CD1 4.01Å
562L86Confident68.8Low20 Ų2084 Ų8411%0.10548%0.482CS..Hα-helixtrans-84.7-15.3-171.2-64.2174.6000114W558 K559 M560 P564 F579 Q604 Q605 L620 R623W558-L562 HydrophobicContact CE3-CD1 4.47Å; W558-L562 HydrophobicContact CE3-CG 4.42Å; W558-L562 WeakPolarHBondContact O-CB 3.28Å; W558-L562 VanDerWaalsContact O-CG 3.23Å; W558-L562 WeakPolarHBondContact O-CG 3.38Å; W558-L562 PolarHBondContact O-N 3.44Å; K559-L562 PolarHBondContact O-N 3.09Å; M560-L562 PolarHBondContact O-N 2.63Å; L562-P564 WeakPolarHBondContact O-CD 3.35Å; L562-F579 HydrophobicContact CD2-CD2 4.28Å; L562-Q604 HydrophobicContact CD1-CB 4.44Å; L562-Q605 HydrophobicContact CD1-CB 4.12Å; L562-L620 HydrophobicContact CD2-CD1 3.93Å; L562-L620 HydrophobicContact CD2-CD2 4.13Å; L562-R623 PolarHBondContact O-NH1 2.9Å
563T80.5Confident67.1Low61 Ų6182 Ų8237%0.37449%0.486SS..PPolyproline II helixtrans-59.7121.4-177.2-66.20000111.1K559K559-T563 WeakPolarHBondContact O-CB 3.43Å; K559-T563 PolarHBondContact O-N 3.1Å; K559-T563 PolarHBondContact O-OG1 2.86Å
564P69.3Low66.1Low56 Ų5684.5 Ų84.536%0.36451%0.507SS..PPolyproline II helixtrans-71.8145.4173.4-2.716.3000110.8L562L562-P564 WeakPolarHBondContact O-CD 3.35Å
565C61.5Low65.8Low57 Ų5783.5 Ų83.539%0.38550%0.498SS..PPolyproline II helixtrans-74.9132.4173.8-159.50000109.9N567 P577C565-N567 PolarHBondContact O-N 2.78Å; C565-P577 HydrophobicContact CB-CG 4.2Å
566P49.2Very low65.9Low121 Ų12180.3 Ų80.379%0.78648%0.476SS*.SBendtrans-63.8-12.8-171.6-22.631.5000116.4
567N47.5Very low66.2Low148 Ų14875.6 Ų75.679%0.79145%0.452SS*.  trans-142.592.6-174.3-75.6-32.6000111.2C565C565-N567 PolarHBondContact O-N 2.78Å
568S39.2Very low66.5Low108 Ų10875.2 Ų75.276%0.75545%0.45SS*.  trans-114.379169.864.90000110.8
569H37.3Very low66.6Low172 Ų17275 Ų7580%0.79645%0.449SS*.  trans-88.4135.7145.5-78.2-66.7000107.5A571H569-A571 PolarHBondContact O-N 2.82Å
570P40.2Very low66.9Low133 Ų13368.7 Ų68.786%0.86442%0.422SS*.  trans-73.291-175.329.6-32.7000109.8
571A38.2Very low67.1Low72 Ų7267.9 Ų67.960%0.59542%0.418SS*.  trans-91.2140.4155.900000108.1H569 N573 A574H569-A571 PolarHBondContact O-N 2.82Å; A571-N573 PolarHBondContact O-N 3.5Å; A571-A574 PolarHBondContact O-N 2.93Å
572T44.7Very low67.3Low148 Ų14867.9 Ų67.991%0.90842%0.418SS*.THydrogen-bonded Turntrans-60.8-0.6-173.430.20000116
573N49.6Very low67.6Low153 Ų15367 Ų6782%0.81841%0.414SS*.THydrogen-bonded Turntrans-131.322.1-179.1-72.5-26.8000113.7A571A571-N573 PolarHBondContact O-N 3.5Å
574A65.4Low68Low67 Ų6766.9 Ų66.955%0.55441%0.409SS*.PPolyproline II helixtrans-78.6134.8178.900000111.8A571A571-A574 PolarHBondContact O-N 2.93Å
575A76.6Confident69Low27 Ų2764.7 Ų64.722%0.22340%0.395CS..PPolyproline II helixtrans-59.8135.1174.500000111L517 L518L517-A575 HydrophobicContact CD2-CB 4.05Å; L517-A575 HydrophobicContact CG-CB 3.96Å; L518-A575 HydrophobicContact CD2-CB 3.63Å; L518-A575 HydrophobicContact CG-CB 3.91Å
576L84.8Confident70.4Confident32 Ų3262 Ų6217%0.16838%0.377CS..PPolyproline II helixtrans-72.1136.6174-66.4170.7000109.4L517 N521 E580 L581 Q584 W626L517-L576 WeakPolarHBondContact CD1-O 2.98Å; N521-L576 PolarHBondContact ND2-O 3.37Å; N521-L576 WeakPolarHBondContact OD1-CB 3.09Å; N521-L576 PolarHBondContact OD1-N 2.9Å; L576-E580 HydrophobicContact CB-CB 4.37Å; L576-E580 HydrophobicContact CD2-CB 4.47Å; L576-L581 HydrophobicContact CB-CB 4.3Å; L576-Q584 VanDerWaalsContact CD1-CD 3.48Å; L576-Q584 VanDerWaalsContact CD1-NE2 3.28Å; L576-Q584 VanDerWaalsContact CD1-OE1 3.29Å; L576-W626 HydrophobicContact CD2-CH2 3.86Å; L576-W626 HydrophobicContact CD2-CZ3 3.74Å
577P88.6Confident72.2Confident24 Ų2456.8 Ų56.816%0.15634%0.343CS..PPolyproline II helixtrans-62.6157.7169.5-7.120000110.6C565 F579 E580 L581C565-P577 HydrophobicContact CB-CG 4.2Å; P577-F579 VanDerWaalsContact C-N 3.31Å; P577-F579 PolarHBondContact O-N 3.26Å; P577-E580 WeakPolarHBondContact CB-OE2 3.22Å; P577-E580 WeakPolarHBondContact CG-OE2 3.44Å; P577-E580 PolarHBondContact O-N 3.38Å; P577-E580 VanDerWaalsContact O-N 3.14Å; P577-L581 PolarHBondContact O-N 2.96Å; P577-L581 VanDerWaalsContact O-N 3.09Å
578V90.1Very high74.1Confident5 Ų557.7 Ų57.73%0.0334%0.335CS..Hα-helixtrans-58.2-42.1-169.3-176.60000112L507 L512 L517 L520 V561 E580 L581 L582L507-V578 HydrophobicContact CD2-CG1 3.62Å; L512-V578 HydrophobicContact CD2-CG2 3.76Å; L517-V578 HydrophobicContact CD1-CG2 3.87Å; L520-V578 HydrophobicContact CD2-CG1 4.48Å; L520-V578 HydrophobicContact CD2-CG2 4Å; V561-V578 HydrophobicContact CB-CG1 4.35Å; V561-V578 HydrophobicContact CG1-CG1 4.47Å; V561-V578 HydrophobicContact CG2-CG1 3.92Å; V578-E580 PolarHBondContact O-N 3.38Å; V578-L581 PolarHBondContact O-N 2.98Å; V578-L582 HydrophobicContact CG1-CD1 4.22Å; V578-L582 HydrophobicContact CG1-CG 4.38Å; V578-L582 WeakPolarHBondContact O-CG 3.43Å; V578-L582 PolarHBondContact O-N 3.25Å
579F91.4Very high76.4Confident0 Ų056.1 Ų56.10%031%0.314CS..Hα-helixtrans-58-47.7177.1176.1-102.4000112.9V561 L562 P577 L581 L582 C583 F597 L598 L620 R623 A624V561-F579 HydrophobicContact CG1-CB 4.34Å; V561-F579 WeakPolarHBondContact O-CB 3.37Å; V561-F579 PolarHBondContact O-N 3.27Å; L562-F579 HydrophobicContact CD2-CD2 4.28Å; P577-F579 VanDerWaalsContact C-N 3.31Å; P577-F579 PolarHBondContact O-N 3.26Å; F579-L581 VanDerWaalsContact C-N 3.34Å; F579-L581 PolarHBondContact O-N 2.87Å; F579-L582 PolarHBondContact O-N 3.34Å; F579-C583 VanDerWaalsContact CZ-SG 3.55Å; F579-C583 PolarHBondContact O-N 2.95Å; F579-C583 PolarHBondContact O-SG 2.82Å; F579-F597 HydrophobicContact CD2-CE1 4.29Å; F579-F597 HydrophobicContact CE2-CE1 4.05Å; F579-L598 HydrophobicContact CZ-CD1 4.18Å; F579-L620 HydrophobicContact CD1-CD2 4.41Å; F579-L620 HydrophobicContact CE1-CB 4.46Å; F579-L620 HydrophobicContact CE1-CD2 4.3Å; F579-L620 HydrophobicContact CZ-CB 4.16Å; F579-L620 HydrophobicContact CZ-CD2 4.35Å; F579-R623 HydrophobicContact CD1-CB 4.17Å; F579-R623 HydrophobicContact CE1-CB 3.92Å; F579-A624 HydrophobicContact CE1-CB 4.34Å; F579-A624 HydrophobicContact CZ-CB 4.37Å
580E91.3Very high78.8Confident15 Ų1550.8 Ų50.87%0.0729%0.29CS..Hα-helixtrans-63.4-41.8179.4-74.277.2-178.400111.6L576 P577 V578 C583 Q584 R623 V627L576-E580 HydrophobicContact CB-CB 4.37Å; L576-E580 HydrophobicContact CD2-CB 4.47Å; P577-E580 WeakPolarHBondContact CB-OE2 3.22Å; P577-E580 WeakPolarHBondContact CG-OE2 3.44Å; P577-E580 PolarHBondContact O-N 3.38Å; P577-E580 VanDerWaalsContact O-N 3.14Å; V578-E580 PolarHBondContact O-N 3.38Å; E580-C583 WeakPolarHBondContact O-CB 3.49Å; E580-C583 PolarHBondContact O-N 2.95Å; E580-Q584 PolarHBondContact O-N 3.23Å; E580-R623 VanDerWaalsContact CD-NH2 3.27Å; E580-R623 IonicContact OE1-CZ 2.92Å; E580-R623 VanDerWaalsContact OE1-CZ 3.24Å; E580-R623 IonicContact OE1-NE 3.21Å; E580-R623 PolarHBondContact OE1-NE 2.78Å; E580-R623 IonicContact OE1-NH2 3.84Å; E580-R623 PolarHBondContact OE1-NH2 2.75Å; E580-R623 IonicContact OE2-CZ 3.82Å; E580-R623 IonicContact OE2-NE 3.33Å; E580-R623 IonicContact OE2-NH2 3.87Å; E580-R623 PolarHBondContact OE2-NH2 3.28Å; E580-V627 HydrophobicContact CB-CG2 3.71Å; E580-V627 HydrophobicContact CG-CG2 3.76Å
581L90.4Very high80.9Confident6 Ų646 Ų463%0.03126%0.259CS..Hα-helixtrans-64.9-37.9177.9173.4140.2000112.2N521 F524 L576 P577 V578 F579 S585N521-L581 HydrophobicContact CB-CD1 4.14Å; F524-L581 HydrophobicContact CB-CD1 3.93Å; F524-L581 HydrophobicContact CB-CD2 4.35Å; F524-L581 HydrophobicContact CB-CG 4.19Å; F524-L581 HydrophobicContact CD1-CD2 3.55Å; F524-L581 HydrophobicContact CD1-CG 3.97Å; F524-L581 HydrophobicContact CD2-CD1 4.28Å; F524-L581 HydrophobicContact CD2-CD2 3.59Å; F524-L581 HydrophobicContact CD2-CG 4.32Å; F524-L581 HydrophobicContact CE1-CD2 3.56Å; F524-L581 HydrophobicContact CE1-CG 4.42Å; F524-L581 HydrophobicContact CE2-CD2 3.59Å; F524-L581 HydrophobicContact CG-CD1 4.02Å; F524-L581 HydrophobicContact CG-CD2 3.55Å; F524-L581 HydrophobicContact CG-CG 3.9Å; F524-L581 HydrophobicContact CZ-CD2 3.56Å; L576-L581 HydrophobicContact CB-CB 4.3Å; P577-L581 PolarHBondContact O-N 2.96Å; P577-L581 VanDerWaalsContact O-N 3.09Å; V578-L581 PolarHBondContact O-N 2.98Å; F579-L581 VanDerWaalsContact C-N 3.34Å; F579-L581 PolarHBondContact O-N 2.87Å; L581-S585 PolarHBondContact O-N 2.81Å; L581-S585 VanDerWaalsContact O-N 3.16Å; L581-S585 PolarHBondContact O-OG 3.34Å
582L91.9Very high83Confident1 Ų145 Ų451%0.00526%0.255CS..Hα-helixtrans-69-40.4170.7-66.7179.1000111.8F524 W532 A535 L539 V561 V578 F579 Q584 S585 V586 F597F524-L582 HydrophobicContact CE1-CD2 4.1Å; F524-L582 HydrophobicContact CZ-CD2 3.98Å; W532-L582 HydrophobicContact CZ3-CD2 4.33Å; A535-L582 HydrophobicContact CB-CD2 3.52Å; L539-L582 HydrophobicContact CD1-CD1 3.71Å; V561-L582 HydrophobicContact CG1-CD1 3.81Å; V561-L582 HydrophobicContact CG2-CD1 4.01Å; V578-L582 HydrophobicContact CG1-CD1 4.22Å; V578-L582 HydrophobicContact CG1-CG 4.38Å; V578-L582 WeakPolarHBondContact O-CG 3.43Å; V578-L582 PolarHBondContact O-N 3.25Å; F579-L582 PolarHBondContact O-N 3.34Å; L582-Q584 VanDerWaalsContact C-N 3.31Å; L582-Q584 PolarHBondContact O-N 2.88Å; L582-S585 WeakPolarHBondContact O-CB 3.45Å; L582-S585 PolarHBondContact O-N 3.4Å; L582-S585 VanDerWaalsContact O-N 3.12Å; L582-V586 VanDerWaalsContact O-CG2 3.3Å; L582-V586 WeakPolarHBondContact O-CG2 3.46Å; L582-V586 PolarHBondContact O-N 2.61Å; L582-F597 HydrophobicContact CB-CE1 4.28Å; L582-F597 HydrophobicContact CB-CZ 4.05Å; L582-F597 HydrophobicContact CD1-CZ 4.09Å
583C90.7Very high85Confident2 Ų240.2 Ų40.21%0.01422%0.221CC..Hα-helixtrans-59.2-42.8175-69.90000111.6F579 E580 S585 V586 V587 L594 V627F579-C583 VanDerWaalsContact CZ-SG 3.55Å; F579-C583 PolarHBondContact O-N 2.95Å; F579-C583 PolarHBondContact O-SG 2.82Å; E580-C583 WeakPolarHBondContact O-CB 3.49Å; E580-C583 PolarHBondContact O-N 2.95Å; C583-S585 VanDerWaalsContact C-N 3.3Å; C583-S585 PolarHBondContact O-N 2.93Å; C583-V586 PolarHBondContact O-N 2.83Å; C583-V587 VanDerWaalsContact O-CG2 3.26Å; C583-V587 WeakPolarHBondContact O-CG2 3.26Å; C583-V587 PolarHBondContact O-N 2.84Å; C583-L594 HydrophobicContact CB-CD1 4.08Å; C583-V627 HydrophobicContact CB-CB 4.29Å; C583-V627 HydrophobicContact CB-CG1 4.01Å; C583-V627 HydrophobicContact CB-CG2 4.28Å
584Q90.1Very high86.9Confident57 Ų5733 Ų3327%0.26618%0.182SC..Hα-helixtrans-59.2-43.2174.2-75.8-173.1-9.800111.8L576 E580 L582 V587 R588 V627 L631L576-Q584 VanDerWaalsContact CD1-CD 3.48Å; L576-Q584 VanDerWaalsContact CD1-NE2 3.28Å; L576-Q584 VanDerWaalsContact CD1-OE1 3.29Å; E580-Q584 PolarHBondContact O-N 3.23Å; L582-Q584 VanDerWaalsContact C-N 3.31Å; L582-Q584 PolarHBondContact O-N 2.88Å; Q584-V587 PolarHBondContact O-N 3.16Å; Q584-R588 WeakPolarHBondContact O-CB 3.33Å; Q584-R588 PolarHBondContact O-N 2.76Å; Q584-V627 HydrophobicContact CB-CG1 4.27Å; Q584-V627 HydrophobicContact CG-CG1 3.35Å; Q584-L631 HydrophobicContact CG-CD1 4.32Å; Q584-L631 HydrophobicContact CG-CD2 4.34Å
585S90.2Very high88Confident11 Ų1130.5 Ų30.58%0.07716%0.16CC..Hα-helixtrans-65.1-43.4178.7-57.20000111.9F524 W532 L581 L582 C583 V587 R588 F589F524-S585 VanDerWaalsContact CD1-OG 3.29Å; F524-S585 WeakPolarHBondContact CD1-OG 3.47Å; F524-S585 WeakPolarHBondContact CE1-OG 3.37Å; W532-S585 VanDerWaalsContact CE3-CB 3.48Å; L581-S585 PolarHBondContact O-N 2.81Å; L581-S585 VanDerWaalsContact O-N 3.16Å; L581-S585 PolarHBondContact O-OG 3.34Å; L582-S585 WeakPolarHBondContact O-CB 3.45Å; L582-S585 PolarHBondContact O-N 3.4Å; L582-S585 VanDerWaalsContact O-N 3.12Å; C583-S585 VanDerWaalsContact C-N 3.3Å; C583-S585 PolarHBondContact O-N 2.93Å; S585-V587 PolarHBondContact O-N 2.81Å; S585-R588 PolarHBondContact O-N 3.47Å; S585-F589 VanDerWaalsContact O-CD2 3.24Å; S585-F589 WeakPolarHBondContact O-CD2 3.41Å; S585-F589 PolarHBondContact O-N 3.44Å
586V90.1Very high88.6Confident0 Ų033.6 Ų33.60%017%0.166CC..Hα-helixtrans-60.3-46.4175.4176.70000110.7W532 L582 C583 R588 F589 Q590 W593 L594 F597W532-V586 HydrophobicContact CH2-CB 4.38Å; W532-V586 HydrophobicContact CH2-CG2 3.22Å; W532-V586 HydrophobicContact CZ2-CG2 3.87Å; W532-V586 HydrophobicContact CZ3-CG2 3.67Å; L582-V586 VanDerWaalsContact O-CG2 3.3Å; L582-V586 WeakPolarHBondContact O-CG2 3.46Å; L582-V586 PolarHBondContact O-N 2.61Å; C583-V586 PolarHBondContact O-N 2.83Å; V586-R588 VanDerWaalsContact C-N 3.29Å; V586-R588 PolarHBondContact O-N 2.84Å; V586-F589 PolarHBondContact O-N 2.91Å; V586-Q590 WeakPolarHBondContact CG1-O 3.42Å; V586-Q590 CarbonylContact O-C 3.45Å; V586-Q590 WeakPolarHBondContact O-CA 3.17Å; V586-Q590 PolarHBondContact O-N 2.89Å; V586-Q590 VanDerWaalsContact O-O 3.14Å; V586-W593 HydrophobicContact CG1-CB 3.94Å; V586-L594 HydrophobicContact CB-CD1 4.1Å; V586-L594 HydrophobicContact CG1-CB 3.85Å; V586-L594 HydrophobicContact CG1-CD1 4.02Å; V586-F597 HydrophobicContact CG2-CD1 4.33Å; V586-F597 HydrophobicContact CG2-CG 4.3Å
587V88.4Confident88.8Confident12 Ų1232.2 Ų32.27%0.07316%0.159CC..Hα-helixtrans-61.3-40.4179175.10000111.3C583 Q584 S585 L594 L628 L631 T633C583-V587 VanDerWaalsContact O-CG2 3.26Å; C583-V587 WeakPolarHBondContact O-CG2 3.26Å; C583-V587 PolarHBondContact O-N 2.84Å; Q584-V587 PolarHBondContact O-N 3.16Å; S585-V587 PolarHBondContact O-N 2.81Å; V587-L594 HydrophobicContact CG2-CD1 4.18Å; V587-L594 HydrophobicContact CG2-CD2 3.7Å; V587-L594 HydrophobicContact CG2-CG 4.43Å; V587-L628 HydrophobicContact CG1-CD2 4.18Å; V587-L628 HydrophobicContact CG2-CD2 3.53Å; V587-L631 HydrophobicContact CB-CD1 3.85Å; V587-L631 HydrophobicContact CG1-CD1 3.68Å; V587-L631 HydrophobicContact CG2-CD1 4.19Å; V587-T633 HydrophobicContact CG1-CG2 4.13Å
588R87.3Confident88.9Confident167 Ų16731.1 Ų31.163%0.6315%0.152SC*.Hα-helixtrans-69.1-41.3-178.8-175.1174.6-179.3168.80.5113.4Q584 S585 V586Q584-R588 WeakPolarHBondContact O-CB 3.33Å; Q584-R588 PolarHBondContact O-N 2.76Å; S585-R588 PolarHBondContact O-N 3.47Å; V586-R588 VanDerWaalsContact C-N 3.29Å; V586-R588 PolarHBondContact O-N 2.84Å
589F87.3Confident88.8Confident74 Ų7435 Ų3533%0.32517%0.17SC..Hα-helixtrans-104.6-34-171.8-65.3-68.4000114P528 W532 S585 V586P528-F589 HydrophobicContact CB-CE2 4.2Å; P528-F589 HydrophobicContact CB-CZ 3.91Å; P528-F589 VanDerWaalsContact O-CE2 3.26Å; P528-F589 WeakPolarHBondContact O-CE2 3.48Å; W532-F589 HydrophobicContact CB-CD2 3.73Å; W532-F589 HydrophobicContact CB-CE2 3.83Å; W532-F589 AromaticContact CD1-CD2 3.62Å; W532-F589 AromaticContact CD1-CG 3.8Å; W532-F589 HydrophobicContact CG-CB 4.48Å; W532-F589 AromaticContact CG-CD2 3.66Å; W532-F589 HydrophobicContact CG-CD2 3.66Å; W532-F589 HydrophobicContact CG-CE2 4.29Å; W532-F589 HydrophobicContact CG-CG 4.31Å; S585-F589 VanDerWaalsContact O-CD2 3.24Å; S585-F589 WeakPolarHBondContact O-CD2 3.41Å; S585-F589 PolarHBondContact O-N 3.44Å; V586-F589 PolarHBondContact O-N 2.91Å
590Q87Confident88.6Confident60 Ų6035.3 Ų35.328%0.2817%0.171SC..  trans-148.266.6-173.1-67-179.3-32.800111.4Q536 V586 G592 W593Q536-Q590 VanDerWaalsContact NE2-OE1 3.15Å; V586-Q590 WeakPolarHBondContact CG1-O 3.42Å; V586-Q590 CarbonylContact O-C 3.45Å; V586-Q590 WeakPolarHBondContact O-CA 3.17Å; V586-Q590 PolarHBondContact O-N 2.89Å; V586-Q590 VanDerWaalsContact O-O 3.14Å; Q590-G592 PolarHBondContact O-N 3.29Å; Q590-G592 VanDerWaalsContact O-N 3.1Å; Q590-W593 HydrophobicContact CB-CB 4.19Å; Q590-W593 HydrophobicContact CB-CD2 4.28Å; Q590-W593 HydrophobicContact CB-CG 3.96Å; Q590-W593 WeakPolarHBondContact O-CB 3.4Å; Q590-W593 PolarHBondContact O-N 2.78Å; Q590-W593 VanDerWaalsContact OE1-CZ3 3.29Å
591P83.9Confident88.5Confident34 Ų3434.6 Ų34.622%0.22117%0.168CC..G310 helixtrans-57.1-34.7-171.118.4-31000113.8W593 L594 L641P591-W593 PolarHBondContact O-N 2.77Å; P591-L594 WeakPolarHBondContact O-CB 3.33Å; P591-L594 PolarHBondContact O-N 2.87Å; P591-L594 VanDerWaalsContact O-N 3.15Å; P591-L641 HydrophobicContact CB-CD1 3.92Å; P591-L641 WeakPolarHBondContact O-CD2 3.35Å
592G82.6Confident88.3Confident50 Ų5036.5 Ų36.552%0.51518%0.177SC..G310 helixtrans-66.7-13.7176.500000115Q590Q590-G592 PolarHBondContact O-N 3.29Å; Q590-G592 VanDerWaalsContact O-N 3.1Å
593W88.2Confident88Confident48 Ų4842.5 Ų42.518%0.18220%0.204CC..G310 helixtrans-81.8-18.2174.7-75.929.3000112.5H543 L549 V586 Q590 P591 R596 F597H543-W593 HydrophobicContact CB-CH2 4.28Å; H543-W593 HydrophobicContact CB-CZ2 3.93Å; H543-W593 AromaticContact CD2-CE2 3.77Å; H543-W593 AromaticContact CD2-CZ2 3.84Å; H543-W593 AromaticContact CD2-NE1 3.68Å; L549-W593 HydrophobicContact CD1-CD2 4.2Å; L549-W593 HydrophobicContact CD1-CE3 3.59Å; L549-W593 HydrophobicContact CD1-CH2 4.13Å; L549-W593 HydrophobicContact CD1-CZ3 3.56Å; L549-W593 HydrophobicContact CD2-CE3 4.45Å; V586-W593 HydrophobicContact CG1-CB 3.94Å; Q590-W593 HydrophobicContact CB-CB 4.19Å; Q590-W593 HydrophobicContact CB-CD2 4.28Å; Q590-W593 HydrophobicContact CB-CG 3.96Å; Q590-W593 WeakPolarHBondContact O-CB 3.4Å; Q590-W593 PolarHBondContact O-N 2.78Å; Q590-W593 VanDerWaalsContact OE1-CZ3 3.29Å; P591-W593 PolarHBondContact O-N 2.77Å; W593-R596 PolarHBondContact O-N 2.85Å; W593-R596 VanDerWaalsContact O-N 3.07Å; W593-F597 WeakPolarHBondContact O-CB 3.38Å; W593-F597 PolarHBondContact O-N 3.2Å
594L88.9Confident87.7Confident1 Ų145 Ų451%0.00522%0.216CC..Hα-helixtrans-57.5-46-171.9-171.372.6000113.8C583 V586 V587 P591 R596 F597 L598 L628 L645C583-L594 HydrophobicContact CB-CD1 4.08Å; V586-L594 HydrophobicContact CB-CD1 4.1Å; V586-L594 HydrophobicContact CG1-CB 3.85Å; V586-L594 HydrophobicContact CG1-CD1 4.02Å; V587-L594 HydrophobicContact CG2-CD1 4.18Å; V587-L594 HydrophobicContact CG2-CD2 3.7Å; V587-L594 HydrophobicContact CG2-CG 4.43Å; P591-L594 WeakPolarHBondContact O-CB 3.33Å; P591-L594 PolarHBondContact O-N 2.87Å; P591-L594 VanDerWaalsContact O-N 3.15Å; L594-R596 VanDerWaalsContact C-N 3.32Å; L594-R596 PolarHBondContact O-N 2.89Å; L594-F597 PolarHBondContact O-N 3.11Å; L594-L598 PolarHBondContact O-N 2.88Å; L594-L628 HydrophobicContact CD2-CD1 4.02Å; L594-L628 HydrophobicContact CD2-CD2 3.78Å; L594-L628 HydrophobicContact CD2-CG 3.96Å; L594-L645 HydrophobicContact CD2-CD1 3.83Å; L594-L645 HydrophobicContact CD2-CD2 4.01Å; L594-L645 HydrophobicContact CD2-CG 4.12Å; L594-L645 HydrophobicContact CG-CD2 3.89Å
595P88.1Confident87.1Confident15 Ų1547.4 Ų47.410%0.09723%0.227CC..Hα-helixtrans-63.3-37.3176.5-21.634.8000112.9L598 Q599 E644 A648P595-L598 PolarHBondContact O-N 2.82Å; P595-Q599 WeakPolarHBondContact O-CG 3.42Å; P595-Q599 PolarHBondContact O-N 2.92Å; P595-E644 HydrophobicContact CB-CB 4.27Å; P595-E644 HydrophobicContact CG-CB 3.66Å; P595-A648 HydrophobicContact CB-CB 4.06Å
596R89.4Confident85.7Confident92 Ų9250 Ų5035%0.34726%0.255SS..Hα-helixtrans-72.4-37.7179.4-59.4177.3-175.6-179.12.4111.4H543 G547 L549 W593 L594 Q599 L600H543-R596 PolarHBondContact CE1-NH1 2.92Å; H543-R596 PolarHBondContact NE2-NH1 3.36Å; G547-R596 WeakPolarHBondContact O-CD 3.5Å; G547-R596 PolarHBondContact O-NE 2.81Å; G547-R596 PolarHBondContact O-NH1 3.49Å; L549-R596 HydrophobicContact CB-CB 3.87Å; W593-R596 PolarHBondContact O-N 2.85Å; W593-R596 VanDerWaalsContact O-N 3.07Å; L594-R596 VanDerWaalsContact C-N 3.32Å; L594-R596 PolarHBondContact O-N 2.89Å; R596-Q599 PolarHBondContact O-N 2.77Å; R596-L600 WeakPolarHBondContact O-CB 3.29Å; R596-L600 PolarHBondContact O-N 2.9Å
597F89.6Confident83.8Confident2 Ų254.5 Ų54.51%0.00929%0.287CS..Hα-helixtrans-64.6-39.6173.4-178.1-103.9000111.7L539 L541 L549 W558 F579 L582 V586 W593 L594 L600 S601L539-F597 HydrophobicContact CD1-CE2 4.37Å; L541-F597 HydrophobicContact CD1-CD2 4.36Å; L541-F597 HydrophobicContact CD1-CE2 4.26Å; L549-F597 HydrophobicContact CD2-CB 3.97Å; L549-F597 HydrophobicContact CD2-CD2 4.03Å; W558-F597 HydrophobicContact CH2-CE2 4.02Å; F579-F597 HydrophobicContact CD2-CE1 4.29Å; F579-F597 HydrophobicContact CE2-CE1 4.05Å; L582-F597 HydrophobicContact CB-CE1 4.28Å; L582-F597 HydrophobicContact CB-CZ 4.05Å; L582-F597 HydrophobicContact CD1-CZ 4.09Å; V586-F597 HydrophobicContact CG2-CD1 4.33Å; V586-F597 HydrophobicContact CG2-CG 4.3Å; W593-F597 WeakPolarHBondContact O-CB 3.38Å; W593-F597 PolarHBondContact O-N 3.2Å; L594-F597 PolarHBondContact O-N 3.11Å; F597-L600 PolarHBondContact O-N 2.8Å; F597-S601 WeakPolarHBondContact O-CB 3.44Å; F597-S601 PolarHBondContact O-N 3.43Å; F597-S601 PolarHBondContact O-OG 3.34Å
598L89.6Confident81.6Confident2 Ų256.7 Ų56.71%0.0131%0.312CS..Hα-helixtrans-62.2-48.4172.8177.466.9000111.4F579 L594 P595 L600 S601 Q602 L620 L645 A648F579-L598 HydrophobicContact CZ-CD1 4.18Å; L594-L598 PolarHBondContact O-N 2.88Å; P595-L598 PolarHBondContact O-N 2.82Å; L598-L600 VanDerWaalsContact C-N 3.32Å; L598-L600 PolarHBondContact O-N 2.52Å; L598-S601 WeakPolarHBondContact O-CB 3.35Å; L598-S601 PolarHBondContact O-N 3.23Å; L598-Q602 HydrophobicContact CD1-CG 4.36Å; L598-Q602 WeakPolarHBondContact O-CG 3.38Å; L598-Q602 PolarHBondContact O-N 2.96Å; L598-L620 HydrophobicContact CD1-CB 3.73Å; L598-L645 HydrophobicContact CB-CD2 4.21Å; L598-L645 HydrophobicContact CD2-CD2 3.82Å; L598-A648 HydrophobicContact CD2-CB 4.35Å
599Q88.1Confident79Confident87 Ų8760.6 Ų60.641%0.40733%0.327SS..Hα-helixtrans-57.9-45.4177.7-73.7172.2-5.100111.8P595 R596 Q602 Q603 A648P595-Q599 WeakPolarHBondContact O-CG 3.42Å; P595-Q599 PolarHBondContact O-N 2.92Å; R596-Q599 PolarHBondContact O-N 2.77Å; Q599-Q602 PolarHBondContact O-N 2.83Å; Q599-Q603 WeakPolarHBondContact O-CG 3.25Å; Q599-Q603 PolarHBondContact O-N 2.96Å; Q599-A648 HydrophobicContact CG-CB 3.97Å
600L87.8Confident76.7Confident5 Ų561.3 Ų61.33%0.02636%0.355CS..Hα-helixtrans-60.5-46.4175.9-179.262.8000111.3L541 L549 W558 R596 F597 L598 Q602 Q603 Q604L541-L600 HydrophobicContact CD2-CD2 3.64Å; L549-L600 HydrophobicContact CD2-CD2 3.9Å; L549-L600 HydrophobicContact CG-CD2 4.01Å; W558-L600 HydrophobicContact CH2-CD2 4.09Å; W558-L600 HydrophobicContact CH2-CG 4.11Å; W558-L600 HydrophobicContact CZ2-CD2 3.93Å; W558-L600 HydrophobicContact CZ2-CG 4.07Å; R596-L600 WeakPolarHBondContact O-CB 3.29Å; R596-L600 PolarHBondContact O-N 2.9Å; F597-L600 PolarHBondContact O-N 2.8Å; L598-L600 VanDerWaalsContact C-N 3.32Å; L598-L600 PolarHBondContact O-N 2.52Å; L600-Q602 VanDerWaalsContact C-N 3.29Å; L600-Q602 PolarHBondContact O-N 2.79Å; L600-Q603 WeakPolarHBondContact O-CB 3.49Å; L600-Q603 PolarHBondContact O-N 2.84Å; L600-Q603 VanDerWaalsContact O-N 3.15Å; L600-Q604 HydrophobicContact CD1-CG 4.48Å; L600-Q604 WeakPolarHBondContact O-CG 3.3Å; L600-Q604 PolarHBondContact O-N 2.92Å
601S89.1Confident74Confident0 Ų061.6 Ų61.60%037%0.373CS..Hα-helixtrans-59.3-39.4177.4-59.70000112.3F597 L598 Q604 Q605F597-S601 WeakPolarHBondContact O-CB 3.44Å; F597-S601 PolarHBondContact O-N 3.43Å; F597-S601 PolarHBondContact O-OG 3.34Å; L598-S601 WeakPolarHBondContact O-CB 3.35Å; L598-S601 PolarHBondContact O-N 3.23Å; S601-Q604 PolarHBondContact O-N 2.79Å; S601-Q605 PolarHBondContact O-N 2.65Å; S601-Q605 VanDerWaalsContact O-N 3.1Å
602Q86.9Confident71.7Confident47 Ų4769.9 Ų69.922%0.2241%0.409CS..Hα-helixtrans-68.6-37.5176-70177.2-72.300112.4L598 Q599 L600 Q605 G606 L620 A648 S649L598-Q602 HydrophobicContact CD1-CG 4.36Å; L598-Q602 WeakPolarHBondContact O-CG 3.38Å; L598-Q602 PolarHBondContact O-N 2.96Å; Q599-Q602 PolarHBondContact O-N 2.83Å; L600-Q602 VanDerWaalsContact C-N 3.29Å; L600-Q602 PolarHBondContact O-N 2.79Å; Q602-Q605 PolarHBondContact O-N 2.95Å; Q602-G606 PolarHBondContact O-N 2.99Å; Q602-L620 HydrophobicContact CG-CD1 4.11Å; Q602-A648 PolarHBondContact OE1-O 2.87Å; Q602-S649 PolarHBondContact NE2-O 2.81Å
603Q85.1Confident69.4Low126 Ų12671.9 Ų71.959%0.58942%0.415SS*.Hα-helixtrans-64.6-42.2174.7-71.6172.37.700111.6Q599 L600 Q605 G606 S607Q599-Q603 WeakPolarHBondContact O-CG 3.25Å; Q599-Q603 PolarHBondContact O-N 2.96Å; L600-Q603 WeakPolarHBondContact O-CB 3.49Å; L600-Q603 PolarHBondContact O-N 2.84Å; L600-Q603 VanDerWaalsContact O-N 3.15Å; Q603-Q605 VanDerWaalsContact C-N 3.3Å; Q603-Q605 PolarHBondContact O-N 2.88Å; Q603-G606 PolarHBondContact O-N 3.2Å; Q603-G606 VanDerWaalsContact O-N 3.15Å; Q603-S607 PolarHBondContact O-N 2.9Å
604Q84Confident67Low56 Ų5672.1 Ų72.126%0.26243%0.433SS..Hα-helixtrans-67.4-31.8178.1-62.9-59.9-30.400112.2W558 L562 L600 S601 G606W558-Q604 HydrophobicContact CB-CB 4.29Å; W558-Q604 HydrophobicContact CD2-CB 3.96Å; W558-Q604 HydrophobicContact CD2-CG 3.71Å; W558-Q604 HydrophobicContact CE3-CB 4.15Å; W558-Q604 HydrophobicContact CE3-CG 4.18Å; W558-Q604 HydrophobicContact CG-CB 4.02Å; W558-Q604 HydrophobicContact CG-CG 3.93Å; W558-Q604 HydrophobicContact CZ2-CG 4.25Å; L562-Q604 HydrophobicContact CD1-CB 4.44Å; L600-Q604 HydrophobicContact CD1-CG 4.48Å; L600-Q604 WeakPolarHBondContact O-CG 3.3Å; L600-Q604 PolarHBondContact O-N 2.92Å; S601-Q604 PolarHBondContact O-N 2.79Å; Q604-G606 VanDerWaalsContact C-N 3.31Å; Q604-G606 PolarHBondContact O-N 2.89Å
605Q77.1Confident64.5Low107 Ų10781.9 Ų81.950%0.548%0.478SS..Hα-helixtrans-65.9-32.2172.4-167.2172.635.100112.8L562 S601 Q602 Q603L562-Q605 HydrophobicContact CD1-CB 4.12Å; S601-Q605 PolarHBondContact O-N 2.65Å; S601-Q605 VanDerWaalsContact O-N 3.1Å; Q602-Q605 PolarHBondContact O-N 2.95Å; Q603-Q605 VanDerWaalsContact C-N 3.3Å; Q603-Q605 PolarHBondContact O-N 2.88Å
606G62Low62.5Low64 Ų6488.6 Ų88.666%0.6651%0.514SS*.Hα-helixtrans-89.6-8.7-177.200000115.9Q602 Q603 Q604Q602-G606 PolarHBondContact O-N 2.99Å; Q603-G606 PolarHBondContact O-N 3.2Å; Q603-G606 VanDerWaalsContact O-N 3.15Å; Q604-G606 VanDerWaalsContact C-N 3.31Å; Q604-G606 PolarHBondContact O-N 2.89Å
607S49.5Very low61.3Low96 Ų9688.3 Ų88.367%0.67152%0.519SS*.  trans-85.9-5.8-175.6-1690000114.3Q603Q603-S607 PolarHBondContact O-N 2.9Å
608G41.1Very low60.8Low57 Ų5792.4 Ų92.459%0.58854%0.544SS*.SBendtrans-78.1121.9171.300000110.4G610G608-G610 PolarHBondContact O-N 2.83Å
609R33.8Very low60.5Low250 Ų25093.4 Ų93.494%0.94355%0.551SS**  trans-47.3134.5171.5-71.5-177.9174.5-162.7-1.4109.6G611R609-G611 PolarHBondContact O-N 2.78Å
610G38.7Very low60.5Low89 Ų8989.5 Ų89.592%0.91853%0.533SS*.SBendtrans-33.6126-168.200000115.6G608G608-G610 PolarHBondContact O-N 2.83Å
611G29.4Very low60.4Low65 Ų6590 Ų9067%0.6753%0.534SS*.  trans-164100.6174.500000109.1R609 S613R609-G611 PolarHBondContact O-N 2.78Å; G611-S613 PolarHBondContact O-N 2.69Å; G611-S613 VanDerWaalsContact O-N 3.1Å
612E36.2Very low60.3Low208 Ų20896.9 Ų96.997%0.97256%0.56SS**  trans9.788150.5-59.3177.2164.600115.4
613S35.7Very low60.4Low92 Ų9295.8 Ų95.864%0.64355%0.554SS**  trans-119106.4161.3-162.50000107.1G611G611-S613 PolarHBondContact O-N 2.69Å; G611-S613 VanDerWaalsContact O-N 3.1Å
614G36.9Very low60.5Low54 Ų5489.9 Ų89.956%0.55753%0.526SS*.  trans-56.9159.6-161.900000115.5N616G614-N616 PolarHBondContact O-N 2.99Å
615E35.8Very low60.7Low205 Ų20588.5 Ų88.596%0.95852%0.521SS*.THydrogen-bonded Turntrans-53.54.8177.1-66.4172.9132.200115.5
616N45.8Very low61.2Low157 Ų15790.1 Ų90.184%0.8452%0.522SS*.THydrogen-bonded Turntrans-108-2-172.2-72.9-20.3000115.7G614G614-N616 PolarHBondContact O-N 2.99Å
617N65.8Low62.3Low86 Ų8687.1 Ų87.146%0.4649%0.491SS..SBendtrans-87.4128.7-179.9-81.1-26.2000112.9
618V77.8Confident64Low88 Ų8882.7 Ų82.753%0.53346%0.46SS..PPolyproline II helixtrans-59.9129.8176-179.10000109.7R622 R623V618-R622 HydrophobicContact CG1-CB 3.76Å; V618-R623 HydrophobicContact CB-CG 4.38Å; V618-R623 HydrophobicContact CG1-CG 4.09Å
619P84.9Confident66Low23 Ų2383.8 Ų83.815%0.14946%0.459CS..PPolyproline II helixtrans-58.5142.2-180-26.736.4000113.1Y621 R622 R623P619-Y621 HydrophobicContact CB-CD1 3.46Å; P619-Y621 VanDerWaalsContact CB-CD1 3.46Å; P619-Y621 HydrophobicContact CB-CE1 3.31Å; P619-Y621 HydrophobicContact CG-CD1 4.49Å; P619-Y621 HydrophobicContact CG-CE1 3.88Å; P619-Y621 PolarHBondContact O-N 3.21Å; P619-Y621 VanDerWaalsContact O-N 3.15Å; P619-R622 WeakPolarHBondContact O-CB 3.42Å; P619-R622 PolarHBondContact O-N 2.73Å; P619-R623 PolarHBondContact O-N 2.91Å
620L86.5Confident68.2Low5 Ų575 Ų753%0.02644%0.435CS..Hα-helixtrans-53.9-37.6-179-64.9178000113.3L562 F579 L598 Q602 R622 R623 A624L562-L620 HydrophobicContact CD2-CD1 3.93Å; L562-L620 HydrophobicContact CD2-CD2 4.13Å; F579-L620 HydrophobicContact CD1-CD2 4.41Å; F579-L620 HydrophobicContact CE1-CB 4.46Å; F579-L620 HydrophobicContact CE1-CD2 4.3Å; F579-L620 HydrophobicContact CZ-CB 4.16Å; F579-L620 HydrophobicContact CZ-CD2 4.35Å; L598-L620 HydrophobicContact CD1-CB 3.73Å; Q602-L620 HydrophobicContact CG-CD1 4.11Å; L620-R622 VanDerWaalsContact C-N 3.32Å; L620-R622 PolarHBondContact O-N 2.76Å; L620-R623 WeakPolarHBondContact O-CB 3.28Å; L620-R623 PolarHBondContact O-N 2.95Å; L620-A624 PolarHBondContact O-N 3.37Å
621Y87.3Confident70.1Confident14 Ų1472.8 Ų72.86%0.05540%0.403CS..Hα-helixtrans-64.3-34.8177.882.1-88.5000112.3P619 A624 L625 L646 A654P619-Y621 HydrophobicContact CB-CD1 3.46Å; P619-Y621 VanDerWaalsContact CB-CD1 3.46Å; P619-Y621 HydrophobicContact CB-CE1 3.31Å; P619-Y621 HydrophobicContact CG-CD1 4.49Å; P619-Y621 HydrophobicContact CG-CE1 3.88Å; P619-Y621 PolarHBondContact O-N 3.21Å; P619-Y621 VanDerWaalsContact O-N 3.15Å; Y621-A624 PolarHBondContact O-N 3.11Å; Y621-L625 HydrophobicContact CD2-CD1 3.83Å; Y621-L625 HydrophobicContact CE2-CD1 4.21Å; Y621-L625 WeakPolarHBondContact O-CB 3.46Å; Y621-L625 VanDerWaalsContact O-CG 3.23Å; Y621-L625 WeakPolarHBondContact O-CG 3.41Å; Y621-L625 PolarHBondContact O-N 2.79Å; Y621-L646 HydrophobicContact CD2-CD2 4.26Å; Y621-L646 HydrophobicContact CE2-CD2 4.15Å; Y621-A654 HydrophobicContact CE2-CB 4.06Å
622R86.2Confident72Confident145 Ų14578 Ų7855%0.54742%0.415SS..Hα-helixtrans-70.8-36.9175.4-75.1-164.8175.4-175.3-4.9111.9V618 P619 L620 L625 W626V618-R622 HydrophobicContact CG1-CB 3.76Å; P619-R622 WeakPolarHBondContact O-CB 3.42Å; P619-R622 PolarHBondContact O-N 2.73Å; L620-R622 VanDerWaalsContact C-N 3.32Å; L620-R622 PolarHBondContact O-N 2.76Å; R622-L625 PolarHBondContact O-N 2.77Å; R622-W626 PolarHBondContact O-N 2.65Å
623R88.1Confident73.6Confident25 Ų2570 Ų709%0.09438%0.381CS..Hα-helixtrans-62.4-44.5173.6-65.2171.563.7-173.2-0.6110.8L562 F579 E580 V618 P619 L620 W626 V627L562-R623 PolarHBondContact O-NH1 2.9Å; F579-R623 HydrophobicContact CD1-CB 4.17Å; F579-R623 HydrophobicContact CE1-CB 3.92Å; E580-R623 VanDerWaalsContact CD-NH2 3.27Å; E580-R623 IonicContact OE1-CZ 2.92Å; E580-R623 VanDerWaalsContact OE1-CZ 3.24Å; E580-R623 IonicContact OE1-NE 3.21Å; E580-R623 PolarHBondContact OE1-NE 2.78Å; E580-R623 IonicContact OE1-NH2 3.84Å; E580-R623 PolarHBondContact OE1-NH2 2.75Å; E580-R623 IonicContact OE2-CZ 3.82Å; E580-R623 IonicContact OE2-NE 3.33Å; E580-R623 IonicContact OE2-NH2 3.87Å; E580-R623 PolarHBondContact OE2-NH2 3.28Å; V618-R623 HydrophobicContact CB-CG 4.38Å; V618-R623 HydrophobicContact CG1-CG 4.09Å; P619-R623 PolarHBondContact O-N 2.91Å; L620-R623 WeakPolarHBondContact O-CB 3.28Å; L620-R623 PolarHBondContact O-N 2.95Å; R623-W626 WeakPolarHBondContact O-CB 3.42Å; R623-W626 PolarHBondContact O-N 2.91Å; R623-V627 PolarHBondContact O-N 2.91Å
624A88.9Confident75.5Confident1 Ų170.6 Ų70.61%0.00838%0.376CS..Hα-helixtrans-65.3-39.6175.100000113F579 L620 Y621 V627 L628 L645F579-A624 HydrophobicContact CE1-CB 4.34Å; F579-A624 HydrophobicContact CZ-CB 4.37Å; L620-A624 PolarHBondContact O-N 3.37Å; Y621-A624 PolarHBondContact O-N 3.11Å; A624-V627 WeakPolarHBondContact O-CB 3.28Å; A624-V627 PolarHBondContact O-N 2.96Å; A624-L628 PolarHBondContact O-N 3.31Å; A624-L645 HydrophobicContact CB-CD1 3.98Å
625L87.1Confident77.4Confident28 Ų2871.9 Ų71.915%0.14737%0.374CS..Hα-helixtrans-63.8-39.2174.6-75.1169.7000112.3Y621 R622 V627 L628 S629 E642 L645 L646Y621-L625 HydrophobicContact CD2-CD1 3.83Å; Y621-L625 HydrophobicContact CE2-CD1 4.21Å; Y621-L625 WeakPolarHBondContact O-CB 3.46Å; Y621-L625 VanDerWaalsContact O-CG 3.23Å; Y621-L625 WeakPolarHBondContact O-CG 3.41Å; Y621-L625 PolarHBondContact O-N 2.79Å; R622-L625 PolarHBondContact O-N 2.77Å; L625-V627 VanDerWaalsContact C-N 3.28Å; L625-V627 PolarHBondContact O-N 3.41Å; L625-L628 HydrophobicContact CD2-CD1 4.48Å; L625-L628 PolarHBondContact O-N 3.13Å; L625-S629 PolarHBondContact O-N 3.49Å; L625-S629 PolarHBondContact O-OG 2.86Å; L625-E642 HydrophobicContact CD2-CB 4.09Å; L625-E642 HydrophobicContact CD2-CG 3.74Å; L625-L645 HydrophobicContact CD2-CB 4.3Å; L625-L645 HydrophobicContact CD2-CD1 3.96Å; L625-L645 HydrophobicContact CG-CD1 4.24Å; L625-L646 HydrophobicContact CD1-CD2 3.83Å; L625-L646 HydrophobicContact CD1-CG 4.36Å
626W87.1Confident79.3Confident140 Ų14069.1 Ų69.153%0.5336%0.361SS..Hα-helixtrans-59.7-41.2173.9-18084.1000111.5L576 R622 R623 S629 S630L576-W626 HydrophobicContact CD2-CH2 3.86Å; L576-W626 HydrophobicContact CD2-CZ3 3.74Å; R622-W626 PolarHBondContact O-N 2.65Å; R623-W626 WeakPolarHBondContact O-CB 3.42Å; R623-W626 PolarHBondContact O-N 2.91Å; W626-S629 WeakPolarHBondContact CA-OG 3.19Å; W626-S629 PolarHBondContact O-N 2.85Å; W626-S629 PolarHBondContact O-OG 2.85Å; W626-S630 PolarHBondContact O-N 2.87Å; W626-S630 VanDerWaalsContact O-N 3.15Å; W626-S630 PolarHBondContact O-OG 2.88Å
627V86.1Confident80.9Confident1 Ų166.6 Ų66.61%0.00634%0.344CS..Hα-helixtrans-62.2-44.9173.6172.80000111.9E580 C583 Q584 R623 A624 L625 S629 S630 L631E580-V627 HydrophobicContact CB-CG2 3.71Å; E580-V627 HydrophobicContact CG-CG2 3.76Å; C583-V627 HydrophobicContact CB-CB 4.29Å; C583-V627 HydrophobicContact CB-CG1 4.01Å; C583-V627 HydrophobicContact CB-CG2 4.28Å; Q584-V627 HydrophobicContact CB-CG1 4.27Å; Q584-V627 HydrophobicContact CG-CG1 3.35Å; R623-V627 PolarHBondContact O-N 2.91Å; A624-V627 WeakPolarHBondContact O-CB 3.28Å; A624-V627 PolarHBondContact O-N 2.96Å; L625-V627 VanDerWaalsContact C-N 3.28Å; L625-V627 PolarHBondContact O-N 3.41Å; V627-S629 VanDerWaalsContact C-N 3.28Å; V627-S629 PolarHBondContact O-N 2.82Å; V627-S630 PolarHBondContact O-N 3Å; V627-S630 PolarHBondContact O-OG 2.81Å; V627-L631 HydrophobicContact CG1-CD1 3.93Å; V627-L631 WeakPolarHBondContact O-CG 3.31Å; V627-L631 PolarHBondContact O-N 2.87Å
628L85.4Confident81.6Confident4 Ų465 Ų652%0.02133%0.331CS..Hα-helixtrans-61.5-36.4176.3-75.7-177.5000113.1V587 L594 A624 L625 S630 R638 L641 L645V587-L628 HydrophobicContact CG1-CD2 4.18Å; V587-L628 HydrophobicContact CG2-CD2 3.53Å; L594-L628 HydrophobicContact CD2-CD1 4.02Å; L594-L628 HydrophobicContact CD2-CD2 3.78Å; L594-L628 HydrophobicContact CD2-CG 3.96Å; A624-L628 PolarHBondContact O-N 3.31Å; L625-L628 HydrophobicContact CD2-CD1 4.48Å; L625-L628 PolarHBondContact O-N 3.13Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-R638 PolarHBondContact O-NE 3.28Å; L628-L641 HydrophobicContact CD1-CB 4.04Å; L628-L641 HydrophobicContact CD2-CD1 4.4Å; L628-L645 HydrophobicContact CD1-CD1 3.34Å; L628-L645 HydrophobicContact CD1-CG 4.23Å; L628-L645 HydrophobicContact CG-CD1 4.15Å
629S82.9Confident81.8Confident80 Ų8064 Ų6456%0.55932%0.321SS*.Hα-helixtrans-72.3-24.4179.4680000113.7L625 W626 V627L625-S629 PolarHBondContact O-N 3.49Å; L625-S629 PolarHBondContact O-OG 2.86Å; W626-S629 WeakPolarHBondContact CA-OG 3.19Å; W626-S629 PolarHBondContact O-N 2.85Å; W626-S629 PolarHBondContact O-OG 2.85Å; V627-S629 VanDerWaalsContact C-N 3.28Å; V627-S629 PolarHBondContact O-N 2.82Å
630S80Confident81.8Confident64 Ų6464.6 Ų64.645%0.44833%0.331SS..Hα-helixtrans-89.5-11.3-179.855.70000114.3W626 V627 L628W626-S630 PolarHBondContact O-N 2.87Å; W626-S630 VanDerWaalsContact O-N 3.15Å; W626-S630 PolarHBondContact O-OG 2.88Å; V627-S630 PolarHBondContact O-N 3Å; V627-S630 PolarHBondContact O-OG 2.81Å; L628-S630 VanDerWaalsContact C-N 3.32Å
631L78.8Confident81.8Confident44 Ų4465.3 Ų65.323%0.2334%0.335CS..SBendtrans-94.3135.2179.4-69.9165.2000111.2Q584 V587 V627 T633 R638Q584-L631 HydrophobicContact CG-CD1 4.32Å; Q584-L631 HydrophobicContact CG-CD2 4.34Å; V587-L631 HydrophobicContact CB-CD1 3.85Å; V587-L631 HydrophobicContact CG1-CD1 3.68Å; V587-L631 HydrophobicContact CG2-CD1 4.19Å; V627-L631 HydrophobicContact CG1-CD1 3.93Å; V627-L631 WeakPolarHBondContact O-CG 3.31Å; V627-L631 PolarHBondContact O-N 2.87Å; L631-T633 VanDerWaalsContact C-N 3.35Å; L631-T633 HydrophobicContact CB-CG2 4.3Å; L631-T633 PolarHBondContact O-N 3.11Å; L631-T633 PolarHBondContact O-OG1 3.36Å; L631-R638 PolarHBondContact O-NH2 2.88Å
632D68.1Low81.8Confident174 Ų17467.2 Ų67.293%0.9334%0.344SS*.  trans-72.283.1170.9-86.3-28.8000111.1
633T70.4Confident82Confident41 Ų4160.7 Ų60.725%0.25232%0.321SS..  trans-115.6156.617646.30000110.5V587 L631 T635 R638V587-T633 HydrophobicContact CG1-CG2 4.13Å; L631-T633 VanDerWaalsContact C-N 3.35Å; L631-T633 HydrophobicContact CB-CG2 4.3Å; L631-T633 PolarHBondContact O-N 3.11Å; L631-T633 PolarHBondContact O-OG1 3.36Å; T633-T635 PolarHBondContact O-N 3.11Å; T633-R638 VanDerWaalsContact N-NH2 3.13Å; T633-R638 VanDerWaalsContact O-CZ 3.24Å; T633-R638 PolarHBondContact O-NH1 2.93Å; T633-R638 PolarHBondContact O-NH2 3.47Å; T633-R638 VanDerWaalsContact O-NH2 3.14Å; T633-R638 PolarHBondContact OG1-NE 2.89Å
634D76.6Confident82Confident103 Ų10362.7 Ų62.755%0.55133%0.331SS*.  trans-55.1136.9176.2-177.721.7000111E636 Q637 R638D634-E636 VanDerWaalsContact C-N 3.31Å; D634-E636 PolarHBondContact O-N 3.26Å; D634-Q637 HydrophobicContact CB-CB 4.3Å; D634-Q637 PolarHBondContact O-N 2.85Å; D634-R638 VanDerWaalsContact O-CB 3.3Å; D634-R638 WeakPolarHBondContact O-CB 3.43Å; D634-R638 PolarHBondContact O-N 2.76Å
635T75.9Confident82.1Confident82 Ų8262.6 Ų62.650%0.50333%0.331SS..Hα-helixtrans-65.3-36.1-168.5-54.70000111.5T633 Q639T633-T635 PolarHBondContact O-N 3.11Å; T635-Q639 WeakPolarHBondContact O-CB 3.44Å; T635-Q639 VanDerWaalsContact O-CG 3.27Å; T635-Q639 WeakPolarHBondContact O-CG 3.47Å; T635-Q639 PolarHBondContact O-N 3.23Å; T635-Q639 VanDerWaalsContact O-N 3.14Å
636E76.8Confident82.1Confident147 Ų14761.3 Ų61.369%0.68732%0.324SS*.Hα-helixtrans-72.2-44.7177.7-66.4-161.2155.200112.4D634 Q639 G640D634-E636 VanDerWaalsContact C-N 3.31Å; D634-E636 PolarHBondContact O-N 3.26Å; E636-Q639 PolarHBondContact O-N 2.87Å; E636-G640 PolarHBondContact O-N 3.27Å
637Q77.4Confident82.2Confident103 Ų10355.2 Ų55.248%0.48130%0.301SS..Hα-helixtrans-65-39.9177.7-168.8177.27.700111.7D634 G640 L641D634-Q637 HydrophobicContact CB-CB 4.3Å; D634-Q637 PolarHBondContact O-N 2.85Å; Q637-G640 PolarHBondContact O-N 3.11Å; Q637-L641 HydrophobicContact CG-CD1 4.39Å; Q637-L641 WeakPolarHBondContact O-CG 3.43Å; Q637-L641 PolarHBondContact O-N 2.98Å
638R82.3Confident82.2Confident53 Ų5355.7 Ų55.720%0.231%0.306CS..Hα-helixtrans-60.6-47.2175.2-170.9-168.9-74.8115.9-9.8111.1L628 L631 T633 D634 L641 E642L628-R638 PolarHBondContact O-NE 3.28Å; L631-R638 PolarHBondContact O-NH2 2.88Å; T633-R638 VanDerWaalsContact N-NH2 3.13Å; T633-R638 VanDerWaalsContact O-CZ 3.24Å; T633-R638 PolarHBondContact O-NH1 2.93Å; T633-R638 PolarHBondContact O-NH2 3.47Å; T633-R638 VanDerWaalsContact O-NH2 3.14Å; T633-R638 PolarHBondContact OG1-NE 2.89Å; D634-R638 VanDerWaalsContact O-CB 3.3Å; D634-R638 WeakPolarHBondContact O-CB 3.43Å; D634-R638 PolarHBondContact O-N 2.76Å; R638-L641 PolarHBondContact O-N 3.06Å; R638-E642 WeakPolarHBondContact O-CB 3.39Å; R638-E642 PolarHBondContact O-N 3.36Å
639Q81.8Confident82.2Confident67 Ų6755.9 Ų55.931%0.31331%0.308SS..Hα-helixtrans-67.2-35.7178.4-74.6176.2-6.300112.4T635 E636 E642 V643T635-Q639 WeakPolarHBondContact O-CB 3.44Å; T635-Q639 VanDerWaalsContact O-CG 3.27Å; T635-Q639 WeakPolarHBondContact O-CG 3.47Å; T635-Q639 PolarHBondContact O-N 3.23Å; T635-Q639 VanDerWaalsContact O-N 3.14Å; E636-Q639 PolarHBondContact O-N 2.87Å; Q639-E642 PolarHBondContact O-N 3.42Å; Q639-V643 WeakPolarHBondContact O-CG2 3.39Å; Q639-V643 PolarHBondContact O-N 2.9Å; Q639-V643 VanDerWaalsContact O-N 3.08Å
640G84.9Confident82.1Confident36 Ų3653.9 Ų53.937%0.37130%0.299SS..Hα-helixtrans-61.7-46.2172.700000112.1E636 Q637 V643 E644E636-G640 PolarHBondContact O-N 3.27Å; Q637-G640 PolarHBondContact O-N 3.11Å; G640-V643 PolarHBondContact O-N 3.02Å; G640-E644 WeakPolarHBondContact O-CG 3.26Å; G640-E644 PolarHBondContact O-N 3.03Å; G640-E644 VanDerWaalsContact O-N 3.13Å
641L84.9Confident82.3Confident20 Ų2056.2 Ų56.211%0.10530%0.298CS..Hα-helixtrans-67.1-35.9175.9-70.4169.4000112.6P591 L628 Q637 R638 E644 L645P591-L641 HydrophobicContact CB-CD1 3.92Å; P591-L641 WeakPolarHBondContact O-CD2 3.35Å; L628-L641 HydrophobicContact CD1-CB 4.04Å; L628-L641 HydrophobicContact CD2-CD1 4.4Å; Q637-L641 HydrophobicContact CG-CD1 4.39Å; Q637-L641 WeakPolarHBondContact O-CG 3.43Å; Q637-L641 PolarHBondContact O-N 2.98Å; R638-L641 PolarHBondContact O-N 3.06Å; L641-E644 PolarHBondContact O-N 3.32Å; L641-L645 WeakPolarHBondContact O-CB 3.13Å; L641-L645 WeakPolarHBondContact O-CG 2.95Å; L641-L645 PolarHBondContact O-N 2.91Å
642E89.1Confident82.6Confident53 Ų5357.3 Ų57.325%0.24831%0.308CS..Hα-helixtrans-59.1-47.4173.9170.4172.2-165.700111.3L625 R638 Q639 E644 L645 L646 I661L625-E642 HydrophobicContact CD2-CB 4.09Å; L625-E642 HydrophobicContact CD2-CG 3.74Å; R638-E642 WeakPolarHBondContact O-CB 3.39Å; R638-E642 PolarHBondContact O-N 3.36Å; Q639-E642 PolarHBondContact O-N 3.42Å; E642-E644 PolarHBondContact O-N 2.79Å; E642-L645 PolarHBondContact O-N 2.97Å; E642-L646 HydrophobicContact CG-CD1 3.98Å; E642-L646 WeakPolarHBondContact O-CB 3.43Å; E642-L646 VanDerWaalsContact O-CG 3.23Å; E642-L646 WeakPolarHBondContact O-CG 3.42Å; E642-L646 PolarHBondContact O-N 2.8Å; E642-I661 HydrophobicContact CG-CD1 4.17Å
643V88.9Confident83.4Confident8 Ų855 Ų555%0.04830%0.296CS..Hα-helixtrans-59.5-48.9175.9171.10000110.5Q639 G640 L645 L646 L647 A658 I661 L662Q639-V643 WeakPolarHBondContact O-CG2 3.39Å; Q639-V643 PolarHBondContact O-N 2.9Å; Q639-V643 VanDerWaalsContact O-N 3.08Å; G640-V643 PolarHBondContact O-N 3.02Å; V643-L645 VanDerWaalsContact C-N 3.35Å; V643-L645 PolarHBondContact O-N 3.18Å; V643-L646 PolarHBondContact O-N 3.09Å; V643-L647 HydrophobicContact CG1-CD1 3.97Å; V643-L647 HydrophobicContact CG1-CG 4.39Å; V643-L647 VanDerWaalsContact O-CG 3.28Å; V643-L647 WeakPolarHBondContact O-CG 3.06Å; V643-L647 PolarHBondContact O-N 3.25Å; V643-A658 HydrophobicContact CG1-CB 4.27Å; V643-I661 HydrophobicContact CG2-CB 4.04Å; V643-I661 HydrophobicContact CG2-CD1 4.42Å; V643-I661 HydrophobicContact CG2-CG2 3.62Å; V643-L662 HydrophobicContact CG1-CD1 4.03Å; V643-L662 HydrophobicContact CG1-CD2 4.08Å; V643-L662 HydrophobicContact CG1-CG 4Å; V643-L662 HydrophobicContact CG2-CD2 4.5Å; V643-L662 HydrophobicContact CG2-CG 4.47Å
644E89.5Confident84.2Confident67 Ų6753.1 Ų53.131%0.31328%0.284SS..Hα-helixtrans-64.9-35.7-179.4-66.8-62.4139.900112.8P595 G640 L641 E642 A648 R670P595-E644 HydrophobicContact CB-CB 4.27Å; P595-E644 HydrophobicContact CG-CB 3.66Å; G640-E644 WeakPolarHBondContact O-CG 3.26Å; G640-E644 PolarHBondContact O-N 3.03Å; G640-E644 VanDerWaalsContact O-N 3.13Å; L641-E644 PolarHBondContact O-N 3.32Å; E642-E644 PolarHBondContact O-N 2.79Å; E644-A648 WeakPolarHBondContact O-CB 3.35Å; E644-A648 PolarHBondContact O-N 3.19Å; E644-R670 IonicContact OE1-CZ 3.81Å; E644-R670 IonicContact OE1-NE 2.76Å; E644-R670 IonicContact OE1-NH2 3.63Å; E644-R670 PolarHBondContact OE1-NH2 3.03Å; E644-R670 IonicContact OE2-NH2 2.89Å
645L89.3Confident84.8Confident0 Ų048.2 Ų48.20%026%0.258CS..Hα-helixtrans-65.2-43.1172.8-80.3-169.9000112.5L594 L598 A624 L625 L628 L641 E642 V643 A648 S649L594-L645 HydrophobicContact CD2-CD1 3.83Å; L594-L645 HydrophobicContact CD2-CD2 4.01Å; L594-L645 HydrophobicContact CD2-CG 4.12Å; L594-L645 HydrophobicContact CG-CD2 3.89Å; L598-L645 HydrophobicContact CB-CD2 4.21Å; L598-L645 HydrophobicContact CD2-CD2 3.82Å; A624-L645 HydrophobicContact CB-CD1 3.98Å; L625-L645 HydrophobicContact CD2-CB 4.3Å; L625-L645 HydrophobicContact CD2-CD1 3.96Å; L625-L645 HydrophobicContact CG-CD1 4.24Å; L628-L645 HydrophobicContact CD1-CD1 3.34Å; L628-L645 HydrophobicContact CD1-CG 4.23Å; L628-L645 HydrophobicContact CG-CD1 4.15Å; L641-L645 WeakPolarHBondContact O-CB 3.13Å; L641-L645 WeakPolarHBondContact O-CG 2.95Å; L641-L645 PolarHBondContact O-N 2.91Å; E642-L645 PolarHBondContact O-N 2.97Å; V643-L645 VanDerWaalsContact C-N 3.35Å; V643-L645 PolarHBondContact O-N 3.18Å; L645-A648 PolarHBondContact O-N 2.98Å; L645-S649 PolarHBondContact O-N 2.87Å; L645-S649 VanDerWaalsContact O-N 3.09Å
646L88.8Confident85.3Confident0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-63.4-43178.1-74.6170.4000110.9Y621 L625 E642 V643 S649 A654 Q657 A658 I661Y621-L646 HydrophobicContact CD2-CD2 4.26Å; Y621-L646 HydrophobicContact CE2-CD2 4.15Å; L625-L646 HydrophobicContact CD1-CD2 3.83Å; L625-L646 HydrophobicContact CD1-CG 4.36Å; E642-L646 HydrophobicContact CG-CD1 3.98Å; E642-L646 WeakPolarHBondContact O-CB 3.43Å; E642-L646 VanDerWaalsContact O-CG 3.23Å; E642-L646 WeakPolarHBondContact O-CG 3.42Å; E642-L646 PolarHBondContact O-N 2.8Å; V643-L646 PolarHBondContact O-N 3.09Å; L646-S649 WeakPolarHBondContact O-CB 3.35Å; L646-S649 PolarHBondContact O-N 2.85Å; L646-S649 PolarHBondContact O-OG 2.85Å; L646-A654 HydrophobicContact CB-CB 4.38Å; L646-A654 HydrophobicContact CD2-CB 3.78Å; L646-Q657 HydrophobicContact CD1-CB 4.2Å; L646-Q657 HydrophobicContact CD1-CG 3.89Å; L646-A658 HydrophobicContact CB-CB 3.8Å; L646-A658 HydrophobicContact CD1-CB 4.25Å; L646-I661 HydrophobicContact CD1-CD1 3.85Å
647L88.2Confident85.9Confident12 Ų1242.1 Ų42.16%0.06322%0.224CC..Hα-helixtrans-65.9-42.8174.8-65.6177.3000111.9V643 S649 G650 I655 A658 V674 F678V643-L647 HydrophobicContact CG1-CD1 3.97Å; V643-L647 HydrophobicContact CG1-CG 4.39Å; V643-L647 VanDerWaalsContact O-CG 3.28Å; V643-L647 WeakPolarHBondContact O-CG 3.06Å; V643-L647 PolarHBondContact O-N 3.25Å; L647-S649 PolarHBondContact O-N 2.77Å; L647-G650 PolarHBondContact O-N 2.97Å; L647-I655 HydrophobicContact CD2-CG2 4.48Å; L647-A658 HydrophobicContact CD2-CB 3.68Å; L647-A658 HydrophobicContact CG-CB 3.92Å; L647-V674 HydrophobicContact CD1-CG2 3.77Å; L647-V674 HydrophobicContact CD2-CG1 3.53Å; L647-V674 HydrophobicContact CD2-CG2 4.15Å; L647-F678 HydrophobicContact CB-CZ 4.47Å; L647-F678 HydrophobicContact CD2-CE2 3.98Å; L647-F678 HydrophobicContact CD2-CZ 4.43Å
648A86.3Confident86.5Confident12 Ų1237.2 Ų37.210%0.09920%0.201CC..Hα-helixtrans-61.6-27.1177.900000113.3P595 L598 Q599 Q602 E644 L645 G650P595-A648 HydrophobicContact CB-CB 4.06Å; L598-A648 HydrophobicContact CD2-CB 4.35Å; Q599-A648 HydrophobicContact CG-CB 3.97Å; Q602-A648 PolarHBondContact OE1-O 2.87Å; E644-A648 WeakPolarHBondContact O-CB 3.35Å; E644-A648 PolarHBondContact O-N 3.19Å; L645-A648 PolarHBondContact O-N 2.98Å; A648-G650 PolarHBondContact O-N 3.08Å
649S85.7Confident86.7Confident8 Ų834.9 Ų34.96%0.05619%0.192CC..THydrogen-bonded Turntrans-62.8-26179.880.10000114.2Q602 L645 L646 L647 R651 A654Q602-S649 PolarHBondContact NE2-O 2.81Å; L645-S649 PolarHBondContact O-N 2.87Å; L645-S649 VanDerWaalsContact O-N 3.09Å; L646-S649 WeakPolarHBondContact O-CB 3.35Å; L646-S649 PolarHBondContact O-N 2.85Å; L646-S649 PolarHBondContact O-OG 2.85Å; L647-S649 PolarHBondContact O-N 2.77Å; S649-R651 PolarHBondContact O-N 3.18Å; S649-R651 PolarHBondContact OG-N 3.23Å; S649-A654 WeakPolarHBondContact OG-CB 3.27Å
650G81Confident87Confident37 Ų3739.5 Ų39.538%0.38121%0.207SC..  trans66.16.2-175.100000115.4L647 A648L647-G650 PolarHBondContact O-N 2.97Å; A648-G650 PolarHBondContact O-N 3.08Å
651R84.6Confident87.2Confident114 Ų11439.4 Ų39.443%0.4320%0.198SC..  trans-91.1136.9-176.2-64-168.8-176-162.91.3111.8S649 N653 A654 I655S649-R651 PolarHBondContact O-N 3.18Å; S649-R651 PolarHBondContact OG-N 3.23Å; R651-N653 PolarHBondContact O-N 2.85Å; R651-A654 HydrophobicContact CB-CB 4.33Å; R651-A654 PolarHBondContact O-N 3.22Å; R651-I655 WeakPolarHBondContact O-CD1 3.33Å; R651-I655 WeakPolarHBondContact O-CG1 3.3Å; R651-I655 PolarHBondContact O-N 3.06Å
652P83.9Confident87.3Confident67 Ų6738.7 Ų38.744%0.43519%0.194SC..Hα-helixtrans-51.2-48.5-176-30.335.4000114.5A654 I655 L656 L685P652-A654 PolarHBondContact O-N 2.93Å; P652-I655 PolarHBondContact O-N 3.27Å; P652-L656 WeakPolarHBondContact O-CG 3.4Å; P652-L656 PolarHBondContact O-N 2.93Å; P652-L685 HydrophobicContact CB-CD1 4.14Å
653N86.1Confident87.2Confident126 Ų12636.6 Ų36.667%0.67418%0.184SC*.Hα-helixtrans-66.4-34.9-178.8-69.6-16.7000113.3R651 Q657R651-N653 PolarHBondContact O-N 2.85Å; N653-Q657 WeakPolarHBondContact O-CB 3.33Å; N653-Q657 PolarHBondContact O-N 3.25Å
654A87.3Confident87Confident0 Ų042.3 Ų42.30%022%0.219CC..Hα-helixtrans-71.9-40177.700000110.8Y621 L646 S649 R651 P652 Q657 A658Y621-A654 HydrophobicContact CE2-CB 4.06Å; L646-A654 HydrophobicContact CB-CB 4.38Å; L646-A654 HydrophobicContact CD2-CB 3.78Å; S649-A654 WeakPolarHBondContact OG-CB 3.27Å; R651-A654 HydrophobicContact CB-CB 4.33Å; R651-A654 PolarHBondContact O-N 3.22Å; P652-A654 PolarHBondContact O-N 2.93Å; A654-Q657 WeakPolarHBondContact O-CB 3.41Å; A654-Q657 PolarHBondContact O-N 3.28Å; A654-A658 PolarHBondContact O-N 3.17Å
655I88.6Confident86.8Confident0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-61.8-44.6174.4-63.5156.6000110.7L647 R651 P652 Q657 A658 L659 V674 F678 L685L647-I655 HydrophobicContact CD2-CG2 4.48Å; R651-I655 WeakPolarHBondContact O-CD1 3.33Å; R651-I655 WeakPolarHBondContact O-CG1 3.3Å; R651-I655 PolarHBondContact O-N 3.06Å; P652-I655 PolarHBondContact O-N 3.27Å; I655-Q657 VanDerWaalsContact C-N 3.32Å; I655-Q657 PolarHBondContact O-N 3.22Å; I655-A658 WeakPolarHBondContact O-CB 3.37Å; I655-A658 PolarHBondContact O-N 3.4Å; I655-L659 HydrophobicContact CG2-CD1 4.26Å; I655-L659 WeakPolarHBondContact O-CG 2.88Å; I655-L659 PolarHBondContact O-N 2.86Å; I655-V674 HydrophobicContact CG2-CG1 4.5Å; I655-F678 HydrophobicContact CD1-CD1 3.31Å; I655-F678 HydrophobicContact CD1-CE1 3.58Å; I655-F678 HydrophobicContact CD1-CG 4.13Å; I655-F678 HydrophobicContact CG1-CD1 3.9Å; I655-F678 HydrophobicContact CG1-CE1 3.93Å; I655-F678 HydrophobicContact CG1-CG 4.43Å; I655-F678 HydrophobicContact CG1-CZ 4.49Å; I655-F678 HydrophobicContact CG2-CB 4.07Å; I655-F678 HydrophobicContact CG2-CD1 4.25Å; I655-F678 HydrophobicContact CG2-CD2 4.32Å; I655-F678 HydrophobicContact CG2-CG 3.96Å; I655-L685 HydrophobicContact CD1-CD2 3.84Å; I655-L685 HydrophobicContact CG2-CD2 4.45Å
656L86.4Confident86.5Confident20 Ų2048.9 Ų48.911%0.10524%0.243CC..Hα-helixtrans-63.5-38.1175.8-69.5173.7000112P652 L659 R660 L685 E688 I689P652-L656 WeakPolarHBondContact O-CG 3.4Å; P652-L656 PolarHBondContact O-N 2.93Å; L656-L659 PolarHBondContact O-N 3.31Å; L656-R660 VanDerWaalsContact O-CG 3.31Å; L656-R660 WeakPolarHBondContact O-CG 3.45Å; L656-R660 PolarHBondContact O-N 2.92Å; L656-L685 HydrophobicContact CD1-CD1 4.27Å; L656-L685 HydrophobicContact CD2-CD1 3.91Å; L656-L685 HydrophobicContact CG-CD1 3.79Å; L656-E688 HydrophobicContact CD1-CB 3.79Å; L656-E688 HydrophobicContact CD1-CG 4.16Å; L656-E688 HydrophobicContact CD2-CB 3.78Å; L656-E688 HydrophobicContact CG-CB 4.43Å; L656-I689 HydrophobicContact CD2-CG1 3.98Å
657Q88.1Confident86.4Confident81 Ų8153.5 Ų53.538%0.37926%0.264SS..Hα-helixtrans-64.5-43.1173.8-174.6178.4-10.800111.7L646 N653 A654 I655 L659 R660 I661L646-Q657 HydrophobicContact CD1-CB 4.2Å; L646-Q657 HydrophobicContact CD1-CG 3.89Å; N653-Q657 WeakPolarHBondContact O-CB 3.33Å; N653-Q657 PolarHBondContact O-N 3.25Å; A654-Q657 WeakPolarHBondContact O-CB 3.41Å; A654-Q657 PolarHBondContact O-N 3.28Å; I655-Q657 VanDerWaalsContact C-N 3.32Å; I655-Q657 PolarHBondContact O-N 3.22Å; Q657-L659 PolarHBondContact O-N 3.03Å; Q657-R660 PolarHBondContact O-N 2.92Å; Q657-I661 HydrophobicContact CG-CD1 4.37Å; Q657-I661 WeakPolarHBondContact O-CG1 3.19Å; Q657-I661 PolarHBondContact O-N 2.96Å; Q657-I661 VanDerWaalsContact O-N 3.07Å
658A90.3Very high86.3Confident0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-59.5-45.117500000111.8V643 L646 L647 A654 I655 R660 I661 L662V643-A658 HydrophobicContact CG1-CB 4.27Å; L646-A658 HydrophobicContact CB-CB 3.8Å; L646-A658 HydrophobicContact CD1-CB 4.25Å; L647-A658 HydrophobicContact CD2-CB 3.68Å; L647-A658 HydrophobicContact CG-CB 3.92Å; A654-A658 PolarHBondContact O-N 3.17Å; I655-A658 WeakPolarHBondContact O-CB 3.37Å; I655-A658 PolarHBondContact O-N 3.4Å; A658-R660 PolarHBondContact O-N 3.42Å; A658-I661 PolarHBondContact O-N 2.83Å; A658-L662 WeakPolarHBondContact O-CG 3.4Å; A658-L662 PolarHBondContact O-N 3.46Å
659L87.8Confident86.2Confident4 Ų459.1 Ų59.12%0.02129%0.288CS..Hα-helixtrans-61-43.1176.4-78.3168.4000112.1I655 L656 Q657 I661 L662 M663 V671 V674 I689I655-L659 HydrophobicContact CG2-CD1 4.26Å; I655-L659 WeakPolarHBondContact O-CG 2.88Å; I655-L659 PolarHBondContact O-N 2.86Å; L656-L659 PolarHBondContact O-N 3.31Å; Q657-L659 PolarHBondContact O-N 3.03Å; L659-I661 VanDerWaalsContact C-N 3.35Å; L659-I661 PolarHBondContact O-N 3.33Å; L659-L662 PolarHBondContact O-N 2.7Å; L659-M663 WeakPolarHBondContact O-CB 3.5Å; L659-M663 WeakPolarHBondContact O-CG 3.1Å; L659-M663 PolarHBondContact O-N 3.14Å; L659-V671 HydrophobicContact CD2-CG1 4.03Å; L659-V674 HydrophobicContact CD1-CG1 4.4Å; L659-V674 HydrophobicContact CD2-CB 3.93Å; L659-V674 HydrophobicContact CD2-CG1 3.63Å; L659-V674 HydrophobicContact CG-CG1 3.9Å; L659-I689 HydrophobicContact CD1-CB 4.49Å; L659-I689 HydrophobicContact CD1-CD1 4.04Å; L659-I689 HydrophobicContact CD1-CG1 3.65Å; L659-I689 HydrophobicContact CD1-CG2 4.3Å
660R88.1Confident86.3Confident164 Ų16462.6 Ų62.662%0.61930%0.3SS*.Hα-helixtrans-60-43.4175.6-72.6172.3-172.5174.62.9112.1L656 Q657 A658 L662 M663 V664L656-R660 VanDerWaalsContact O-CG 3.31Å; L656-R660 WeakPolarHBondContact O-CG 3.45Å; L656-R660 PolarHBondContact O-N 2.92Å; Q657-R660 PolarHBondContact O-N 2.92Å; A658-R660 PolarHBondContact O-N 3.42Å; R660-L662 VanDerWaalsContact C-N 3.35Å; R660-L662 PolarHBondContact O-N 3.22Å; R660-M663 PolarHBondContact O-N 3.24Å; R660-V664 VanDerWaalsContact O-CG2 3.3Å; R660-V664 WeakPolarHBondContact O-CG2 3Å; R660-V664 PolarHBondContact O-N 3.4Å
661I87.4Confident86.6Confident35 Ų3560.8 Ų60.818%0.17928%0.281CS..Hα-helixtrans-61.6-44.7177-65.4165.8000110.5E642 V643 L646 Q657 A658 L659 V664 K665E642-I661 HydrophobicContact CG-CD1 4.17Å; V643-I661 HydrophobicContact CG2-CB 4.04Å; V643-I661 HydrophobicContact CG2-CD1 4.42Å; V643-I661 HydrophobicContact CG2-CG2 3.62Å; L646-I661 HydrophobicContact CD1-CD1 3.85Å; Q657-I661 HydrophobicContact CG-CD1 4.37Å; Q657-I661 WeakPolarHBondContact O-CG1 3.19Å; Q657-I661 PolarHBondContact O-N 2.96Å; Q657-I661 VanDerWaalsContact O-N 3.07Å; A658-I661 PolarHBondContact O-N 2.83Å; L659-I661 VanDerWaalsContact C-N 3.35Å; L659-I661 PolarHBondContact O-N 3.33Å; I661-V664 PolarHBondContact O-N 2.82Å; I661-K665 WeakPolarHBondContact O-CG 3.26Å; I661-K665 PolarHBondContact O-N 2.76Å; I661-K665 VanDerWaalsContact O-N 3.15Å
662L88.3Confident86.6Confident4 Ų456 Ų562%0.02127%0.265CS..Hα-helixtrans-65.9-38.5178.4-70171.1000112.9V643 A658 L659 R660 K665 R666 Q667 R670 V671 V674V643-L662 HydrophobicContact CG1-CD1 4.03Å; V643-L662 HydrophobicContact CG1-CD2 4.08Å; V643-L662 HydrophobicContact CG1-CG 4Å; V643-L662 HydrophobicContact CG2-CD2 4.5Å; V643-L662 HydrophobicContact CG2-CG 4.47Å; A658-L662 WeakPolarHBondContact O-CG 3.4Å; A658-L662 PolarHBondContact O-N 3.46Å; L659-L662 PolarHBondContact O-N 2.7Å; R660-L662 VanDerWaalsContact C-N 3.35Å; R660-L662 PolarHBondContact O-N 3.22Å; L662-K665 CarbonylContact O-C 2.9Å; L662-K665 PolarHBondContact O-N 3.2Å; L662-R666 PolarHBondContact O-N 2.99Å; L662-R666 VanDerWaalsContact O-N 3.13Å; L662-Q667 HydrophobicContact CD2-CB 4.3Å; L662-Q667 PolarHBondContact O-N 3.1Å; L662-Q667 VanDerWaalsContact O-N 3.08Å; L662-R670 HydrophobicContact CD1-CG 3.92Å; L662-R670 HydrophobicContact CD2-CB 4.3Å; L662-R670 HydrophobicContact CD2-CG 3.92Å; L662-V671 HydrophobicContact CB-CG2 3.5Å; L662-V671 VanDerWaalsContact CB-CG2 3.5Å; L662-V674 HydrophobicContact CD1-CG2 4.17Å
663M86.4Confident86.8Confident10 Ų1056.6 Ų56.65%0.04926%0.262CS..Hα-helixtrans-64.7-46.2176-72.4164.9168.700111.3L659 R660 K665 R666 W668 V671 A692 L693 E696L659-M663 WeakPolarHBondContact O-CB 3.5Å; L659-M663 WeakPolarHBondContact O-CG 3.1Å; L659-M663 PolarHBondContact O-N 3.14Å; R660-M663 PolarHBondContact O-N 3.24Å; M663-K665 PolarHBondContact O-N 3Å; M663-R666 WeakPolarHBondContact O-CA 3.14Å; M663-R666 PolarHBondContact O-N 3.44Å; M663-W668 HydrophobicContact CB-CZ3 4.31Å; M663-W668 HydrophobicContact CG-CZ3 4.09Å; M663-V671 HydrophobicContact CE-CG1 3.97Å; M663-V671 HydrophobicContact CG-CG1 4.26Å; M663-V671 HydrophobicContact CG-CG2 4.08Å; M663-A692 HydrophobicContact CE-CB 3.99Å; M663-A692 HydrophobicContact SD-CB 4.34Å; M663-L693 HydrophobicContact CE-CD2 3.5Å; M663-L693 HydrophobicContact CE-CG 3.78Å; M663-E696 HydrophobicContact CG-CG 4.32Å; M663-E696 HydrophobicContact SD-CG 4.08Å
664V86.1Confident86.9Confident128 Ų12850.6 Ų50.678%0.77623%0.229SC*.Hα-helixtrans-58.8-35.1175170.40000111.5R660 I661 R666R660-V664 VanDerWaalsContact O-CG2 3.3Å; R660-V664 WeakPolarHBondContact O-CG2 3Å; R660-V664 PolarHBondContact O-N 3.4Å; I661-V664 PolarHBondContact O-N 2.82Å; V664-R666 VanDerWaalsContact C-N 3.3Å; V664-R666 PolarHBondContact O-N 3.13Å
665K84.4Confident86.9Confident74 Ų7450.6 Ų50.632%0.32223%0.229SC..THydrogen-bonded Turntrans-80.8-2174.9-71.6-168172.8-165.30114.7I661 L662 M663 Q667I661-K665 WeakPolarHBondContact O-CG 3.26Å; I661-K665 PolarHBondContact O-N 2.76Å; I661-K665 VanDerWaalsContact O-N 3.15Å; L662-K665 CarbonylContact O-C 2.9Å; L662-K665 PolarHBondContact O-N 3.2Å; M663-K665 PolarHBondContact O-N 3Å; K665-Q667 HydrophobicContact CB-CG 4.12Å; K665-Q667 PolarHBondContact O-N 2.94Å
666R83.4Confident86.7Confident131 Ų13155.5 Ų55.549%0.49425%0.252SS..THydrogen-bonded Turntrans54.730.8-176-56.4-171.2-179.8-165.14.4114.3L662 M663 V664 W668 E702L662-R666 PolarHBondContact O-N 2.99Å; L662-R666 VanDerWaalsContact O-N 3.13Å; M663-R666 WeakPolarHBondContact O-CA 3.14Å; M663-R666 PolarHBondContact O-N 3.44Å; V664-R666 VanDerWaalsContact C-N 3.3Å; V664-R666 PolarHBondContact O-N 3.13Å; R666-W668 HydrophobicContact CB-CZ2 4.24Å; R666-W668 HydrophobicContact CG-CZ2 4.09Å; R666-W668 VanDerWaalsContact O-CD1 3.31Å; R666-W668 PolarHBondContact O-N 3.21Å; R666-E702 IonicContact NH1-OE1 2.84Å; R666-E702 PolarHBondContact NH1-OE1 3.02Å
667Q85.8Confident86.7Confident96 Ų9660.3 Ų60.345%0.44927%0.274SS..  trans-83.962.3177.2-70.1-175.1-19.400111L662 K665 E669 R670 V671L662-Q667 HydrophobicContact CD2-CB 4.3Å; L662-Q667 PolarHBondContact O-N 3.1Å; L662-Q667 VanDerWaalsContact O-N 3.08Å; K665-Q667 HydrophobicContact CB-CG 4.12Å; K665-Q667 PolarHBondContact O-N 2.94Å; Q667-E669 VanDerWaalsContact C-N 3.32Å; Q667-E669 PolarHBondContact O-N 3.1Å; Q667-R670 HydrophobicContact CB-CB 4.35Å; Q667-R670 PolarHBondContact O-N 2.97Å; Q667-V671 WeakPolarHBondContact O-CG2 3.34Å; Q667-V671 PolarHBondContact O-N 3.47Å
668W85.8Confident86.6Confident15 Ų1556.8 Ų56.86%0.05726%0.258CS..Hα-helixtrans-59.2-36.8-168.5-55.6119.2000114.1M663 R666 R670 V671 T672 E696 H700 E702 L703 Y706M663-W668 HydrophobicContact CB-CZ3 4.31Å; M663-W668 HydrophobicContact CG-CZ3 4.09Å; R666-W668 HydrophobicContact CB-CZ2 4.24Å; R666-W668 HydrophobicContact CG-CZ2 4.09Å; R666-W668 VanDerWaalsContact O-CD1 3.31Å; R666-W668 PolarHBondContact O-N 3.21Å; W668-R670 PolarHBondContact O-N 3.13Å; W668-V671 HydrophobicContact CE3-CG2 4.45Å; W668-V671 WeakPolarHBondContact O-CB 3.27Å; W668-V671 PolarHBondContact O-N 2.9Å; W668-T672 WeakPolarHBondContact O-CG2 3.4Å; W668-T672 PolarHBondContact O-N 3.48Å; W668-T672 PolarHBondContact O-OG1 3.1Å; W668-E696 HydrophobicContact CH2-CB 4.12Å; W668-E696 HydrophobicContact CH2-CG 4.34Å; W668-E696 HydrophobicContact CZ3-CB 4.19Å; W668-E696 HydrophobicContact CZ3-CG 4.38Å; W668-H700 AromaticContact CH2-CD2 3.97Å; W668-H700 HydrophobicContact CZ2-CB 4.25Å; W668-H700 AromaticContact CZ2-CD2 3.95Å; W668-E702 PolarHBondContact NE1-OE2 2.91Å; W668-L703 HydrophobicContact CB-CD2 4.09Å; W668-L703 HydrophobicContact CD2-CD1 4.41Å; W668-L703 HydrophobicContact CD2-CD2 3.62Å; W668-L703 HydrophobicContact CD2-CG 3.89Å; W668-L703 HydrophobicContact CE3-CD1 3.97Å; W668-L703 HydrophobicContact CE3-CD2 3.39Å; W668-L703 HydrophobicContact CE3-CG 3.85Å; W668-L703 HydrophobicContact CG-CD2 3.95Å; W668-L703 HydrophobicContact CG-CG 4.42Å; W668-L703 HydrophobicContact CH2-CD1 3.89Å; W668-L703 HydrophobicContact CH2-CG 4.37Å; W668-L703 HydrophobicContact CZ2-CD1 4.35Å; W668-L703 HydrophobicContact CZ2-CG 4.44Å; W668-L703 HydrophobicContact CZ3-CD1 3.68Å; W668-L703 HydrophobicContact CZ3-CD2 4Å; W668-L703 HydrophobicContact CZ3-CG 4.08Å; W668-Y706 HydrophobicContact CB-CD2 4.4Å; W668-Y706 HydrophobicContact CB-CE2 3.89Å
669E85.3Confident86.2Confident127 Ų12758 Ų5859%0.59327%0.266SS*.Hα-helixtrans-58.8-47.2175-172-178177.200111.2Q667 T672 Q673Q667-E669 VanDerWaalsContact C-N 3.32Å; Q667-E669 PolarHBondContact O-N 3.1Å; E669-T672 PolarHBondContact O-N 3.13Å; E669-T672 PolarHBondContact O-OG1 3.07Å; E669-Q673 WeakPolarHBondContact O-CG 3.11Å; E669-Q673 PolarHBondContact O-N 3.42Å; E669-Q673 VanDerWaalsContact O-N 3.15Å
670R86.7Confident85.9Confident81 Ų8166.8 Ų66.831%0.30630%0.304SS..Hα-helixtrans-68.2-39.2178.1-17060.6172.4166-0.7112E644 L662 Q667 W668 T672 Q673 V674E644-R670 IonicContact OE1-CZ 3.81Å; E644-R670 IonicContact OE1-NE 2.76Å; E644-R670 IonicContact OE1-NH2 3.63Å; E644-R670 PolarHBondContact OE1-NH2 3.03Å; E644-R670 IonicContact OE2-NH2 2.89Å; L662-R670 HydrophobicContact CD1-CG 3.92Å; L662-R670 HydrophobicContact CD2-CB 4.3Å; L662-R670 HydrophobicContact CD2-CG 3.92Å; Q667-R670 HydrophobicContact CB-CB 4.35Å; Q667-R670 PolarHBondContact O-N 2.97Å; W668-R670 PolarHBondContact O-N 3.13Å; R670-T672 VanDerWaalsContact C-N 3.28Å; R670-T672 PolarHBondContact O-N 3.34Å; R670-Q673 VanDerWaalsContact NH1-OE1 3.1Å; R670-Q673 PolarHBondContact O-N 3.37Å; R670-V674 WeakPolarHBondContact O-CG2 3.39Å; R670-V674 PolarHBondContact O-N 2.78Å
671V88.4Confident85.6Confident0 Ų064.1 Ų64.10%030%0.299CS..Hα-helixtrans-56.2-44.7174172.60000110.6L659 L662 M663 Q667 W668 V674 A675 L693L659-V671 HydrophobicContact CD2-CG1 4.03Å; L662-V671 HydrophobicContact CB-CG2 3.5Å; L662-V671 VanDerWaalsContact CB-CG2 3.5Å; M663-V671 HydrophobicContact CE-CG1 3.97Å; M663-V671 HydrophobicContact CG-CG1 4.26Å; M663-V671 HydrophobicContact CG-CG2 4.08Å; Q667-V671 WeakPolarHBondContact O-CG2 3.34Å; Q667-V671 PolarHBondContact O-N 3.47Å; W668-V671 HydrophobicContact CE3-CG2 4.45Å; W668-V671 WeakPolarHBondContact O-CB 3.27Å; W668-V671 PolarHBondContact O-N 2.9Å; V671-V674 PolarHBondContact O-N 2.74Å; V671-A675 VanDerWaalsContact O-CB 3.31Å; V671-A675 WeakPolarHBondContact O-CB 2.93Å; V671-A675 PolarHBondContact O-N 2.8Å; V671-L693 HydrophobicContact CG1-CD2 3.6Å
672T84.8Confident85.3Confident13 Ų1364.2 Ų64.28%0.0830%0.302CS..Hα-helixtrans-67-42-179.166.40000112.7W668 E669 R670 A675 Q676 Y706 L709W668-T672 WeakPolarHBondContact O-CG2 3.4Å; W668-T672 PolarHBondContact O-N 3.48Å; W668-T672 PolarHBondContact O-OG1 3.1Å; E669-T672 PolarHBondContact O-N 3.13Å; E669-T672 PolarHBondContact O-OG1 3.07Å; R670-T672 VanDerWaalsContact C-N 3.28Å; R670-T672 PolarHBondContact O-N 3.34Å; T672-A675 PolarHBondContact O-N 2.83Å; T672-Q676 WeakPolarHBondContact O-CB 3.38Å; T672-Q676 WeakPolarHBondContact O-CG 3.03Å; T672-Q676 PolarHBondContact O-N 2.95Å; T672-Y706 HydrophobicContact CG2-CD1 3.38Å; T672-Y706 HydrophobicContact CG2-CD2 4.27Å; T672-Y706 HydrophobicContact CG2-CE1 3.9Å; T672-Y706 HydrophobicContact CG2-CG 3.58Å; T672-L709 HydrophobicContact CG2-CD2 3.76Å
673Q87.9Confident85.1Confident79 Ų7969 Ų6937%0.36933%0.334SS..Hα-helixtrans-59.9-47.2175.3-69.21728.400111.4E669 R670 Q676 Q677E669-Q673 WeakPolarHBondContact O-CG 3.11Å; E669-Q673 PolarHBondContact O-N 3.42Å; E669-Q673 VanDerWaalsContact O-N 3.15Å; R670-Q673 VanDerWaalsContact NH1-OE1 3.1Å; R670-Q673 PolarHBondContact O-N 3.37Å; Q673-Q676 PolarHBondContact O-N 3.4Å; Q673-Q677 WeakPolarHBondContact O-CB 3.36Å; Q673-Q677 PolarHBondContact O-N 2.89Å
674V87.6Confident84.9Confident0 Ų074.8 Ų74.80%036%0.364CS..Hα-helixtrans-64.1-46178.1172.90000110.5L647 I655 L659 L662 R670 V671 Q676 Q677 F678L647-V674 HydrophobicContact CD1-CG2 3.77Å; L647-V674 HydrophobicContact CD2-CG1 3.53Å; L647-V674 HydrophobicContact CD2-CG2 4.15Å; I655-V674 HydrophobicContact CG2-CG1 4.5Å; L659-V674 HydrophobicContact CD1-CG1 4.4Å; L659-V674 HydrophobicContact CD2-CB 3.93Å; L659-V674 HydrophobicContact CD2-CG1 3.63Å; L659-V674 HydrophobicContact CG-CG1 3.9Å; L662-V674 HydrophobicContact CD1-CG2 4.17Å; R670-V674 WeakPolarHBondContact O-CG2 3.39Å; R670-V674 PolarHBondContact O-N 2.78Å; V671-V674 PolarHBondContact O-N 2.74Å; V674-Q676 VanDerWaalsContact C-N 3.32Å; V674-Q676 PolarHBondContact O-N 2.75Å; V674-Q677 PolarHBondContact O-N 2.83Å; V674-F678 HydrophobicContact CG1-CD2 3.78Å; V674-F678 HydrophobicContact CG1-CE2 4.23Å; V674-F678 VanDerWaalsContact O-CD2 3.31Å; V674-F678 WeakPolarHBondContact O-CD2 3.42Å; V674-F678 PolarHBondContact O-N 2.77Å
675A86.4Confident84.9Confident0 Ų069 Ų690%033%0.329CS..Hα-helixtrans-58.6-43.7178.300000111.9V671 T672 C679 I689 L693 L713V671-A675 VanDerWaalsContact O-CB 3.31Å; V671-A675 WeakPolarHBondContact O-CB 2.93Å; V671-A675 PolarHBondContact O-N 2.8Å; T672-A675 PolarHBondContact O-N 2.83Å; A675-C679 WeakPolarHBondContact O-CB 3.3Å; A675-C679 PolarHBondContact O-N 3.33Å; A675-C679 PolarHBondContact O-SG 3.48Å; A675-I689 HydrophobicContact CB-CG2 3.7Å; A675-L693 HydrophobicContact CB-CD1 3.95Å; A675-L713 HydrophobicContact CB-CD1 3.9Å
676Q85.8Confident85Confident103 Ų10366.5 Ų66.548%0.48132%0.319SS..Hα-helixtrans-65.4-38.1175.6-74177.1-0.700113.4T672 Q673 V674 C679 L709T672-Q676 WeakPolarHBondContact O-CB 3.38Å; T672-Q676 WeakPolarHBondContact O-CG 3.03Å; T672-Q676 PolarHBondContact O-N 2.95Å; Q673-Q676 PolarHBondContact O-N 3.4Å; V674-Q676 VanDerWaalsContact C-N 3.32Å; V674-Q676 PolarHBondContact O-N 2.75Å; Q676-C679 PolarHBondContact O-SG 3.02Å; Q676-L709 HydrophobicContact CG-CD1 3.26Å; Q676-L709 HydrophobicContact CG-CD2 3.87Å; Q676-L709 HydrophobicContact CG-CG 4.21Å
677Q86.4Confident85.2Confident121 Ų12163.4 Ų63.457%0.56531%0.309SS*.Hα-helixtrans-69-41.5-179.1-176.11796.600111.4Q673 V674Q673-Q677 WeakPolarHBondContact O-CB 3.36Å; Q673-Q677 PolarHBondContact O-N 2.89Å; V674-Q677 PolarHBondContact O-N 2.83Å
678F86.2Confident85.2Confident8 Ų863.3 Ų63.34%0.03531%0.309CS..Hα-helixtrans-99.1-14.1-170.4-71.6-86000114.3L647 I655 V674 K680 Q681 L685 I689L647-F678 HydrophobicContact CB-CZ 4.47Å; L647-F678 HydrophobicContact CD2-CE2 3.98Å; L647-F678 HydrophobicContact CD2-CZ 4.43Å; I655-F678 HydrophobicContact CD1-CD1 3.31Å; I655-F678 HydrophobicContact CD1-CE1 3.58Å; I655-F678 HydrophobicContact CD1-CG 4.13Å; I655-F678 HydrophobicContact CG1-CD1 3.9Å; I655-F678 HydrophobicContact CG1-CE1 3.93Å; I655-F678 HydrophobicContact CG1-CG 4.43Å; I655-F678 HydrophobicContact CG1-CZ 4.49Å; I655-F678 HydrophobicContact CG2-CB 4.07Å; I655-F678 HydrophobicContact CG2-CD1 4.25Å; I655-F678 HydrophobicContact CG2-CD2 4.32Å; I655-F678 HydrophobicContact CG2-CG 3.96Å; V674-F678 HydrophobicContact CG1-CD2 3.78Å; V674-F678 HydrophobicContact CG1-CE2 4.23Å; V674-F678 VanDerWaalsContact O-CD2 3.31Å; V674-F678 WeakPolarHBondContact O-CD2 3.42Å; V674-F678 PolarHBondContact O-N 2.77Å; F678-K680 PolarHBondContact O-N 3.43Å; F678-K680 VanDerWaalsContact O-N 3.16Å; F678-Q681 HydrophobicContact CD1-CG 4.3Å; F678-Q681 VanDerWaalsContact CD1-OE1 3.26Å; F678-Q681 WeakPolarHBondContact O-CB 3.37Å; F678-Q681 PolarHBondContact O-N 3.11Å; F678-Q681 VanDerWaalsContact O-N 3.09Å; F678-L685 HydrophobicContact CB-CD2 4.29Å; F678-I689 HydrophobicContact CB-CD1 4.31Å
679C81Confident85.3Confident26 Ų2662.6 Ų62.618%0.17631%0.306CS..THydrogen-bonded Turntrans-59.9-27.6177.264.70000113.8A675 Q676 N686 L713A675-C679 WeakPolarHBondContact O-CB 3.3Å; A675-C679 PolarHBondContact O-N 3.33Å; A675-C679 PolarHBondContact O-SG 3.48Å; Q676-C679 PolarHBondContact O-SG 3.02Å; C679-N686 HydrophobicContact CB-CB 4.35Å; C679-N686 VanDerWaalsContact CB-OD1 3.23Å; C679-N686 WeakPolarHBondContact CB-OD1 3.02Å; C679-L713 HydrophobicContact CB-CD2 3.3Å; C679-L713 VanDerWaalsContact SG-CD2 3.56Å
680K81.7Confident85.4Confident188 Ų18856.5 Ų56.582%0.81728%0.278SS*.THydrogen-bonded Turntrans-81.3-13.1179.8-60.8-178.3-175.5175.60113.7F678F678-K680 PolarHBondContact O-N 3.43Å; F678-K680 VanDerWaalsContact O-N 3.16Å
681Q81.8Confident85.4Confident107 Ų10754 Ų5450%0.527%0.27SS..THydrogen-bonded Turntrans-75.2-37.7-175.1-69.1-169.5-5.400113.1F678F678-Q681 HydrophobicContact CD1-CG 4.3Å; F678-Q681 VanDerWaalsContact CD1-OE1 3.26Å; F678-Q681 WeakPolarHBondContact O-CB 3.37Å; F678-Q681 PolarHBondContact O-N 3.11Å; F678-Q681 VanDerWaalsContact O-N 3.09Å
682S82.2Confident85.3Confident37 Ų3755.4 Ų55.426%0.25928%0.282SS..  trans-156.4136.1179.31740000111.1L684 L685 N686S682-L684 VanDerWaalsContact C-N 3.25Å; S682-L684 PolarHBondContact O-N 3.3Å; S682-L684 PolarHBondContact OG-N 3.23Å; S682-L685 PolarHBondContact O-N 2.94Å; S682-N686 PolarHBondContact O-N 2.76Å
683P82.2Confident85.3Confident106 Ų10655.1 Ų55.169%0.68828%0.28SS*.Hα-helixtrans-63.3-31.6177.526.1-34.1000112.5N686 K687P683-N686 PolarHBondContact O-N 3.3Å; P683-K687 PolarHBondContact O-N 3.46Å
684L83.7Confident85.1Confident131 Ų13151.5 Ų51.569%0.68626%0.263SS*.Hα-helixtrans-69.5-41.9176.2-65176.9000111.6S682 K687 E688S682-L684 VanDerWaalsContact C-N 3.25Å; S682-L684 PolarHBondContact O-N 3.3Å; S682-L684 PolarHBondContact OG-N 3.23Å; L684-K687 WeakPolarHBondContact O-CB 3.22Å; L684-K687 PolarHBondContact O-N 2.75Å; L684-E688 PolarHBondContact O-N 2.85Å; L684-E688 VanDerWaalsContact O-N 3.15Å
685L85.1Confident84.9Confident5 Ų552.6 Ų52.63%0.02627%0.271CS..Hα-helixtrans-64.5-42.5174.8178.859.5000110.7P652 I655 L656 F678 S682 K687 E688 I689P652-L685 HydrophobicContact CB-CD1 4.14Å; I655-L685 HydrophobicContact CD1-CD2 3.84Å; I655-L685 HydrophobicContact CG2-CD2 4.45Å; L656-L685 HydrophobicContact CD1-CD1 4.27Å; L656-L685 HydrophobicContact CD2-CD1 3.91Å; L656-L685 HydrophobicContact CG-CD1 3.79Å; F678-L685 HydrophobicContact CB-CD2 4.29Å; S682-L685 PolarHBondContact O-N 2.94Å; L685-K687 VanDerWaalsContact C-N 3.28Å; L685-K687 PolarHBondContact O-N 3.31Å; L685-E688 PolarHBondContact O-N 3.4Å; L685-I689 HydrophobicContact CD1-CD1 4.03Å; L685-I689 HydrophobicContact CD1-CG1 4.11Å; L685-I689 HydrophobicContact CD2-CD1 4.4Å; L685-I689 HydrophobicContact CG-CD1 3.76Å; L685-I689 HydrophobicContact CG-CG1 4.28Å; L685-I689 WeakPolarHBondContact O-CB 3.16Å; L685-I689 VanDerWaalsContact O-CG1 3.23Å; L685-I689 WeakPolarHBondContact O-CG1 3.31Å; L685-I689 PolarHBondContact O-N 2.84Å
686N87.3Confident84.7Confident22 Ų2254.7 Ų54.712%0.11828%0.28CS..Hα-helixtrans-58.3-40.7175.3-175.350.6000112.2C679 S682 P683 I689 F690 L713C679-N686 HydrophobicContact CB-CB 4.35Å; C679-N686 VanDerWaalsContact CB-OD1 3.23Å; C679-N686 WeakPolarHBondContact CB-OD1 3.02Å; S682-N686 PolarHBondContact O-N 2.76Å; P683-N686 PolarHBondContact O-N 3.3Å; N686-I689 PolarHBondContact O-N 3.16Å; N686-F690 VanDerWaalsContact O-CB 3.25Å; N686-F690 WeakPolarHBondContact O-CB 3.4Å; N686-F690 PolarHBondContact O-N 2.84Å; N686-L713 PolarHBondContact ND2-O 3.01Å; N686-L713 PolarHBondContact OD1-O 3.09Å
687K86.5Confident84.4Confident66 Ų6650.1 Ų50.129%0.28726%0.26SS..Hα-helixtrans-60.7-45.4176.2-176.8166.8179.5154.90112.4P683 L684 L685 F690 N691 P715 D717 Y718P683-K687 PolarHBondContact O-N 3.46Å; L684-K687 WeakPolarHBondContact O-CB 3.22Å; L684-K687 PolarHBondContact O-N 2.75Å; L685-K687 VanDerWaalsContact C-N 3.28Å; L685-K687 PolarHBondContact O-N 3.31Å; K687-F690 PolarHBondContact O-N 2.83Å; K687-N691 WeakPolarHBondContact O-CB 3.42Å; K687-N691 VanDerWaalsContact O-CG 3.23Å; K687-N691 PolarHBondContact O-N 3.29Å; K687-N691 PolarHBondContact O-ND2 2.85Å; K687-P715 HydrophobicContact CB-CG 4.28Å; K687-P715 HydrophobicContact CG-CG 4.48Å; K687-D717 IonicContact NZ-OD2 3.15Å; K687-D717 PolarHBondContact NZ-OD2 2.84Å; K687-Y718 HydrophobicContact CD-CE2 3.79Å; K687-Y718 VanDerWaalsContact CE-CE2 3.46Å; K687-Y718 WeakPolarHBondContact CE-OH 3.43Å; K687-Y718 HydrophobicContact CG-CE2 3.68Å; K687-Y718 VanDerWaalsContact CG-OH 3.27Å; K687-Y718 WeakPolarHBondContact CG-OH 3.33Å
688E87.4Confident83.8Confident94 Ų9444.6 Ų44.644%0.43923%0.234SC..Hα-helixtrans-67.4-41.3176.7-68.9-61.4142.500112.5L656 L684 L685 N691 A692L656-E688 HydrophobicContact CD1-CB 3.79Å; L656-E688 HydrophobicContact CD1-CG 4.16Å; L656-E688 HydrophobicContact CD2-CB 3.78Å; L656-E688 HydrophobicContact CG-CB 4.43Å; L684-E688 PolarHBondContact O-N 2.85Å; L684-E688 VanDerWaalsContact O-N 3.15Å; L685-E688 PolarHBondContact O-N 3.4Å; E688-N691 PolarHBondContact O-N 2.86Å; E688-A692 WeakPolarHBondContact O-CB 3.33Å; E688-A692 PolarHBondContact O-N 2.95Å
689I86.6Confident83.2Confident0 Ų048 Ų480%025%0.25CS..Hα-helixtrans-60.8-47174.7-68173.4000110.3L656 L659 A675 F678 L685 N686 A692 L693 L713L656-I689 HydrophobicContact CD2-CG1 3.98Å; L659-I689 HydrophobicContact CD1-CB 4.49Å; L659-I689 HydrophobicContact CD1-CD1 4.04Å; L659-I689 HydrophobicContact CD1-CG1 3.65Å; L659-I689 HydrophobicContact CD1-CG2 4.3Å; A675-I689 HydrophobicContact CB-CG2 3.7Å; F678-I689 HydrophobicContact CB-CD1 4.31Å; L685-I689 HydrophobicContact CD1-CD1 4.03Å; L685-I689 HydrophobicContact CD1-CG1 4.11Å; L685-I689 HydrophobicContact CD2-CD1 4.4Å; L685-I689 HydrophobicContact CG-CD1 3.76Å; L685-I689 HydrophobicContact CG-CG1 4.28Å; L685-I689 WeakPolarHBondContact O-CB 3.16Å; L685-I689 VanDerWaalsContact O-CG1 3.23Å; L685-I689 WeakPolarHBondContact O-CG1 3.31Å; L685-I689 PolarHBondContact O-N 2.84Å; N686-I689 PolarHBondContact O-N 3.16Å; I689-A692 PolarHBondContact O-N 2.85Å; I689-L693 HydrophobicContact CG2-CD1 3.84Å; I689-L693 WeakPolarHBondContact O-CB 3.28Å; I689-L693 WeakPolarHBondContact O-CG 3.36Å; I689-L693 PolarHBondContact O-N 2.83Å; I689-L713 HydrophobicContact CG2-CD1 4.47Å
690F87.6Confident82.8Confident0 Ų048.8 Ų48.80%025%0.251CS..Hα-helixtrans-62.2-44.6178.1177.1-97.4000111.7N686 K687 L693 L694 L710 L713 C714 P715 Y718 I723 L757N686-F690 VanDerWaalsContact O-CB 3.25Å; N686-F690 WeakPolarHBondContact O-CB 3.4Å; N686-F690 PolarHBondContact O-N 2.84Å; K687-F690 PolarHBondContact O-N 2.83Å; F690-L693 PolarHBondContact O-N 3.29Å; F690-L694 HydrophobicContact CE1-CD2 3.99Å; F690-L694 HydrophobicContact CZ-CD2 4.34Å; F690-L694 WeakPolarHBondContact O-CB 3.5Å; F690-L694 PolarHBondContact O-N 2.87Å; F690-L710 HydrophobicContact CD2-CD1 3.88Å; F690-L710 HydrophobicContact CD2-CG 4.44Å; F690-L710 HydrophobicContact CE2-CD1 3.82Å; F690-L710 HydrophobicContact CE2-CG 3.95Å; F690-L710 WeakPolarHBondContact CE2-O 3.31Å; F690-L713 HydrophobicContact CD2-CB 4.19Å; F690-C714 HydrophobicContact CD2-CB 4.47Å; F690-C714 HydrophobicContact CE2-CB 3.86Å; F690-C714 HydrophobicContact CZ-CB 4.2Å; F690-P715 HydrophobicContact CB-CG 4.32Å; F690-P715 HydrophobicContact CD1-CG 4.26Å; F690-P715 HydrophobicContact CG-CG 4.35Å; F690-Y718 HydrophobicContact CD1-CD1 4.16Å; F690-Y718 AromaticContact CD1-CE1 3.84Å; F690-Y718 HydrophobicContact CD1-CE1 3.84Å; F690-Y718 AromaticContact CE1-CD1 3.69Å; F690-Y718 HydrophobicContact CE1-CD1 3.69Å; F690-Y718 AromaticContact CE1-CE1 3.74Å; F690-Y718 HydrophobicContact CE1-CE1 3.74Å; F690-I723 HydrophobicContact CE1-CG1 4.5Å; F690-I723 HydrophobicContact CZ-CD1 4.5Å; F690-L757 HydrophobicContact CZ-CD2 4.27Å
691N86.9Confident82.4Confident27 Ų2746 Ų4614%0.14424%0.236CC..Hα-helixtrans-59.4-49175.8-75.7-20.7000111.8K687 E688 L693 L694 C695 Y718 L726K687-N691 WeakPolarHBondContact O-CB 3.42Å; K687-N691 VanDerWaalsContact O-CG 3.23Å; K687-N691 PolarHBondContact O-N 3.29Å; K687-N691 PolarHBondContact O-ND2 2.85Å; E688-N691 PolarHBondContact O-N 2.86Å; N691-L693 PolarHBondContact O-N 2.77Å; N691-L694 PolarHBondContact O-N 2.86Å; N691-C695 PolarHBondContact O-N 2.88Å; N691-C695 PolarHBondContact O-SG 2.82Å; N691-Y718 PolarHBondContact ND2-OH 2.8Å; N691-Y718 WeakPolarHBondContact OD1-CE1 3.33Å; N691-Y718 PolarHBondContact OD1-OH 3.34Å; N691-L726 VanDerWaalsContact OD1-CD1 3.31Å; N691-L726 WeakPolarHBondContact OD1-CD1 3.29Å
692A85.4Confident81.9Confident30 Ų3045.1 Ų45.125%0.24823%0.232CC..Hα-helixtrans-59.9-46.8179.600000111.5M663 E688 I689 C695 E696M663-A692 HydrophobicContact CE-CB 3.99Å; M663-A692 HydrophobicContact SD-CB 4.34Å; E688-A692 WeakPolarHBondContact O-CB 3.33Å; E688-A692 PolarHBondContact O-N 2.95Å; I689-A692 PolarHBondContact O-N 2.85Å; A692-C695 WeakPolarHBondContact O-CB 3.47Å; A692-C695 PolarHBondContact O-N 3.48Å; A692-E696 WeakPolarHBondContact O-CG 3.2Å; A692-E696 PolarHBondContact O-N 3.48Å; A692-E696 VanDerWaalsContact O-N 3.13Å
693L85.3Confident81.6Confident8 Ų843.6 Ų43.64%0.04222%0.22CC..Hα-helixtrans-64.4-40.6177-73.3168.7000112.7M663 V671 A675 I689 F690 N691 C695 E696 V697 L710 L713M663-L693 HydrophobicContact CE-CD2 3.5Å; M663-L693 HydrophobicContact CE-CG 3.78Å; V671-L693 HydrophobicContact CG1-CD2 3.6Å; A675-L693 HydrophobicContact CB-CD1 3.95Å; I689-L693 HydrophobicContact CG2-CD1 3.84Å; I689-L693 WeakPolarHBondContact O-CB 3.28Å; I689-L693 WeakPolarHBondContact O-CG 3.36Å; I689-L693 PolarHBondContact O-N 2.83Å; F690-L693 PolarHBondContact O-N 3.29Å; N691-L693 PolarHBondContact O-N 2.77Å; L693-C695 VanDerWaalsContact C-N 3.3Å; L693-C695 PolarHBondContact O-N 3.23Å; L693-E696 PolarHBondContact O-N 3.08Å; L693-V697 WeakPolarHBondContact O-CB 3.5Å; L693-V697 VanDerWaalsContact O-CG2 3.24Å; L693-V697 WeakPolarHBondContact O-CG2 3.35Å; L693-V697 PolarHBondContact O-N 2.99Å; L693-L710 HydrophobicContact CB-CD1 3.89Å; L693-L713 HydrophobicContact CD1-CD1 3.72Å
694L84.5Confident81.3Confident2 Ų240.6 Ų40.61%0.0120%0.198CC..Hα-helixtrans-63.8-37.5178.5-176.466.7000111.6F690 N691 S698 L710 I723 L726 V727 L754F690-L694 HydrophobicContact CE1-CD2 3.99Å; F690-L694 HydrophobicContact CZ-CD2 4.34Å; F690-L694 WeakPolarHBondContact O-CB 3.5Å; F690-L694 PolarHBondContact O-N 2.87Å; N691-L694 PolarHBondContact O-N 2.86Å; L694-S698 PolarHBondContact O-N 2.78Å; L694-S698 VanDerWaalsContact O-N 3.1Å; L694-L710 HydrophobicContact CD1-CD2 4.11Å; L694-I723 HydrophobicContact CD1-CG2 4.35Å; L694-I723 HydrophobicContact CD2-CG2 3.99Å; L694-L726 HydrophobicContact CD2-CB 3.98Å; L694-L726 HydrophobicContact CD2-CD1 4.21Å; L694-V727 HydrophobicContact CD1-CG2 3.89Å; L694-V727 HydrophobicContact CD2-CG2 4.24Å; L694-V727 HydrophobicContact CG-CG2 3.98Å; L694-L754 HydrophobicContact CD1-CD2 4.26Å
695C83.1Confident81.1Confident24 Ų2439 Ų3916%0.16220%0.196CC..Hα-helixtrans-62.2-48.1172.4-65.80000111.2N691 A692 L693 V697 S698 Q699 N730N691-C695 PolarHBondContact O-N 2.88Å; N691-C695 PolarHBondContact O-SG 2.82Å; A692-C695 WeakPolarHBondContact O-CB 3.47Å; A692-C695 PolarHBondContact O-N 3.48Å; L693-C695 VanDerWaalsContact C-N 3.3Å; L693-C695 PolarHBondContact O-N 3.23Å; C695-V697 PolarHBondContact O-N 2.95Å; C695-S698 WeakPolarHBondContact O-CB 3.35Å; C695-S698 PolarHBondContact O-N 3.08Å; C695-S698 VanDerWaalsContact O-N 3.11Å; C695-S698 PolarHBondContact O-OG 2.82Å; C695-Q699 WeakPolarHBondContact O-CG 3.37Å; C695-Q699 PolarHBondContact O-N 3.44Å; C695-N730 PolarHBondContact SG-ND2 3.28Å
696E82.3Confident80.9Confident43 Ų4342.4 Ų42.420%0.20121%0.209CC..Hα-helixtrans-65.8-39.1179.4-65.7-60.9144.600112.4M663 W668 A692 L693 S698 Q699 H700 L703M663-E696 HydrophobicContact CG-CG 4.32Å; M663-E696 HydrophobicContact SD-CG 4.08Å; W668-E696 HydrophobicContact CH2-CB 4.12Å; W668-E696 HydrophobicContact CH2-CG 4.34Å; W668-E696 HydrophobicContact CZ3-CB 4.19Å; W668-E696 HydrophobicContact CZ3-CG 4.38Å; A692-E696 WeakPolarHBondContact O-CG 3.2Å; A692-E696 PolarHBondContact O-N 3.48Å; A692-E696 VanDerWaalsContact O-N 3.13Å; L693-E696 PolarHBondContact O-N 3.08Å; E696-S698 PolarHBondContact O-N 3.1Å; E696-Q699 CarbonylContact O-C 3.53Å; E696-Q699 PolarHBondContact O-N 3.32Å; E696-H700 PolarHBondContact O-N 3.11Å; E696-H700 IonicContact OE2-CD2 2.75Å; E696-H700 PolarHBondContact OE2-CD2 3.04Å; E696-H700 IonicContact OE2-NE2 3.82Å; E696-H700 PolarHBondContact OE2-NE2 3.24Å; E696-L703 HydrophobicContact CB-CD1 3.71Å
697V78.9Confident80.5Confident8 Ų842.2 Ų42.25%0.04821%0.208CC..Hα-helixtrans-60.6-33.8173.5169.80000110.7L693 C695 Q699 L703 L707 L710 L749 L754L693-V697 WeakPolarHBondContact O-CB 3.5Å; L693-V697 VanDerWaalsContact O-CG2 3.24Å; L693-V697 WeakPolarHBondContact O-CG2 3.35Å; L693-V697 PolarHBondContact O-N 2.99Å; C695-V697 PolarHBondContact O-N 2.95Å; V697-Q699 PolarHBondContact O-N 3.02Å; V697-L703 HydrophobicContact CB-CD1 4.49Å; V697-L703 HydrophobicContact CG2-CB 3.82Å; V697-L703 HydrophobicContact CG2-CD1 3.75Å; V697-L703 HydrophobicContact CG2-CG 4.36Å; V697-L707 HydrophobicContact CG1-CD2 3.95Å; V697-L710 HydrophobicContact CG1-CD2 4.4Å; V697-L710 HydrophobicContact CG2-CD2 4.18Å; V697-L749 WeakPolarHBondContact O-CD2 3.47Å; V697-L754 HydrophobicContact CG1-CD2 4.29Å
698S73.7Confident80.2Confident4 Ų444.4 Ų44.43%0.02822%0.223CC..THydrogen-bonded Turntrans-73.7-3175.774.70000114.7L694 C695 E696 N730 L749L694-S698 PolarHBondContact O-N 2.78Å; L694-S698 VanDerWaalsContact O-N 3.1Å; C695-S698 WeakPolarHBondContact O-CB 3.35Å; C695-S698 PolarHBondContact O-N 3.08Å; C695-S698 VanDerWaalsContact O-N 3.11Å; C695-S698 PolarHBondContact O-OG 2.82Å; E696-S698 PolarHBondContact O-N 3.1Å; S698-N730 WeakPolarHBondContact OG-CB 3.39Å; S698-L749 VanDerWaalsContact C-CD1 3.47Å; S698-L749 WeakPolarHBondContact O-CD1 3.19Å
699Q73.4Confident79.9Confident80 Ų8040.9 Ų40.937%0.37421%0.207SC..THydrogen-bonded Turntrans-123.9-27.1-176.7-64.9177.911.300113.2C695 E696 V697 N730C695-Q699 WeakPolarHBondContact O-CG 3.37Å; C695-Q699 PolarHBondContact O-N 3.44Å; E696-Q699 CarbonylContact O-C 3.53Å; E696-Q699 PolarHBondContact O-N 3.32Å; V697-Q699 PolarHBondContact O-N 3.02Å; Q699-N730 PolarHBondContact NE2-O 2.96Å
700H73.3Confident79.7Confident43 Ų4341.1 Ų41.120%0.19921%0.208CC..  trans-129.5124.6-173.1-60.9-57.5000113.1W668 E696 E702W668-H700 AromaticContact CH2-CD2 3.97Å; W668-H700 HydrophobicContact CZ2-CB 4.25Å; W668-H700 AromaticContact CZ2-CD2 3.95Å; E696-H700 PolarHBondContact O-N 3.11Å; E696-H700 IonicContact OE2-CD2 2.75Å; E696-H700 PolarHBondContact OE2-CD2 3.04Å; E696-H700 IonicContact OE2-NE2 3.82Å; E696-H700 PolarHBondContact OE2-NE2 3.24Å; H700-E702 VanDerWaalsContact C-N 3.26Å; H700-E702 PolarHBondContact O-N 2.8Å
701R72.8Confident79.4Confident129 Ų12943.3 Ų43.349%0.48722%0.217SC..G310 helixtrans-75.9-8.2173.8-68.4-167.7177.6-164.52.7114.5L703 D704 Q748 L749R701-L703 PolarHBondContact O-N 3.01Å; R701-D704 WeakPolarHBondContact CA-OD1 3.46Å; R701-D704 PolarHBondContact O-N 2.79Å; R701-D704 VanDerWaalsContact O-OD1 3.13Å; R701-Q748 PolarHBondContact NH2-O 3.39Å; R701-L749 HydrophobicContact CG-CG 4.47Å
702E72.4Confident79.2Confident89 Ų8945.9 Ų45.942%0.41624%0.242SC..G310 helixtrans-67.9-13.9176.8-66170.1-157.400112.4R666 W668 H700 P705R666-E702 IonicContact NH1-OE1 2.84Å; R666-E702 PolarHBondContact NH1-OE1 3.02Å; W668-E702 PolarHBondContact NE1-OE2 2.91Å; H700-E702 VanDerWaalsContact C-N 3.26Å; H700-E702 PolarHBondContact O-N 2.8Å; E702-P705 WeakPolarHBondContact O-CD 3.28Å
703L74.5Confident79.1Confident4 Ų444.7 Ų44.72%0.02123%0.231CC..G310 helixtrans-91.5-5.2179.5-75.3167000114.2W668 E696 V697 R701 P705 Y706W668-L703 HydrophobicContact CB-CD2 4.09Å; W668-L703 HydrophobicContact CD2-CD1 4.41Å; W668-L703 HydrophobicContact CD2-CD2 3.62Å; W668-L703 HydrophobicContact CD2-CG 3.89Å; W668-L703 HydrophobicContact CE3-CD1 3.97Å; W668-L703 HydrophobicContact CE3-CD2 3.39Å; W668-L703 HydrophobicContact CE3-CG 3.85Å; W668-L703 HydrophobicContact CG-CD2 3.95Å; W668-L703 HydrophobicContact CG-CG 4.42Å; W668-L703 HydrophobicContact CH2-CD1 3.89Å; W668-L703 HydrophobicContact CH2-CG 4.37Å; W668-L703 HydrophobicContact CZ2-CD1 4.35Å; W668-L703 HydrophobicContact CZ2-CG 4.44Å; W668-L703 HydrophobicContact CZ3-CD1 3.68Å; W668-L703 HydrophobicContact CZ3-CD2 4Å; W668-L703 HydrophobicContact CZ3-CG 4.08Å; E696-L703 HydrophobicContact CB-CD1 3.71Å; V697-L703 HydrophobicContact CB-CD1 4.49Å; V697-L703 HydrophobicContact CG2-CB 3.82Å; V697-L703 HydrophobicContact CG2-CD1 3.75Å; V697-L703 HydrophobicContact CG2-CG 4.36Å; R701-L703 PolarHBondContact O-N 3.01Å; L703-P705 VanDerWaalsContact C-N 3.32Å; L703-Y706 HydrophobicContact CD2-CD2 4.25Å; L703-Y706 PolarHBondContact O-N 3.41Å
704D76.3Confident79Confident43 Ų4344.7 Ų44.723%0.2323%0.232CC..G310 helixtrans-52.1-40.5179.1-65.79.6000113.5R701 Y706 L707 Q753R701-D704 WeakPolarHBondContact CA-OD1 3.46Å; R701-D704 PolarHBondContact O-N 2.79Å; R701-D704 VanDerWaalsContact O-OD1 3.13Å; D704-Y706 PolarHBondContact O-N 3.1Å; D704-L707 WeakPolarHBondContact O-CG 3.32Å; D704-L707 PolarHBondContact O-N 3.01Å; D704-Q753 VanDerWaalsContact CG-OE1 3.25Å; D704-Q753 PolarHBondContact OD1-OE1 2.93Å; D704-Q753 VanDerWaalsContact OD1-OE1 3.14Å; D704-Q753 PolarHBondContact OD2-NE2 2.85Å; D704-Q753 PolarHBondContact OD2-OE1 3.03Å
705P80.1Confident79Confident99 Ų9945.1 Ų45.164%0.64323%0.234SC*.G310 helixtrans-65.9-15.7177.5-21.234.6000114.3E702 L703E702-P705 WeakPolarHBondContact O-CD 3.28Å; L703-P705 VanDerWaalsContact C-N 3.32Å
706Y80.4Confident78.8Confident76 Ų7651 Ų5130%0.29826%0.26SS..G310 helixtrans-107.610.4-174.2-54.8-76.5000113.1W668 T672 L703 D704 D708 L709 L710W668-Y706 HydrophobicContact CB-CD2 4.4Å; W668-Y706 HydrophobicContact CB-CE2 3.89Å; T672-Y706 HydrophobicContact CG2-CD1 3.38Å; T672-Y706 HydrophobicContact CG2-CD2 4.27Å; T672-Y706 HydrophobicContact CG2-CE1 3.9Å; T672-Y706 HydrophobicContact CG2-CG 3.58Å; L703-Y706 HydrophobicContact CD2-CD2 4.25Å; L703-Y706 PolarHBondContact O-N 3.41Å; D704-Y706 PolarHBondContact O-N 3.1Å; Y706-D708 PolarHBondContact O-N 2.8Å; Y706-L709 WeakPolarHBondContact O-CB 3.28Å; Y706-L709 PolarHBondContact O-N 3.07Å; Y706-L710 PolarHBondContact O-N 2.73Å
707L78.9Confident78.7Confident18 Ų1853.7 Ų53.79%0.09428%0.275CS..Hα-helixtrans-59.9-32.2179.8-71.6172.4000113V697 D704 L709 L710 W711 Q753V697-L707 HydrophobicContact CG1-CD2 3.95Å; D704-L707 WeakPolarHBondContact O-CG 3.32Å; D704-L707 PolarHBondContact O-N 3.01Å; L707-L709 VanDerWaalsContact C-N 3.27Å; L707-L709 PolarHBondContact O-N 3.19Å; L707-L710 HydrophobicContact CD2-CD2 4.28Å; L707-L710 WeakPolarHBondContact O-CB 3.35Å; L707-L710 PolarHBondContact O-N 2.82Å; L707-W711 HydrophobicContact CB-CZ2 4.15Å; L707-W711 PolarHBondContact O-N 3.45Å; L707-W711 PolarHBondContact O-NE1 2.75Å; L707-Q753 HydrophobicContact CD1-CB 4.09Å
708D79.5Confident78.8Confident112 Ų11254 Ų5460%0.59928%0.276SS*.Hα-helixtrans-59.1-38.7173.9-79.7-49.2000112.4Y706 W711 A712Y706-D708 PolarHBondContact O-N 2.8Å; D708-W711 HydrophobicContact CB-CE3 4.5Å; D708-W711 WeakPolarHBondContact O-CB 3.27Å; D708-W711 PolarHBondContact O-N 2.72Å; D708-W711 WeakPolarHBondContact OD1-CZ3 3.41Å; D708-A712 PolarHBondContact O-N 2.74Å; D708-A712 VanDerWaalsContact O-N 3.1Å
709L82.3Confident79.3Confident19 Ų1956 Ų5610%0.09929%0.288CS..Hα-helixtrans-67.8-44.9174.8173.258.3000110.9T672 Q676 Y706 L707 W711 A712 L713T672-L709 HydrophobicContact CG2-CD2 3.76Å; Q676-L709 HydrophobicContact CG-CD1 3.26Å; Q676-L709 HydrophobicContact CG-CD2 3.87Å; Q676-L709 HydrophobicContact CG-CG 4.21Å; Y706-L709 WeakPolarHBondContact O-CB 3.28Å; Y706-L709 PolarHBondContact O-N 3.07Å; L707-L709 VanDerWaalsContact C-N 3.27Å; L707-L709 PolarHBondContact O-N 3.19Å; L709-W711 PolarHBondContact O-N 3.03Å; L709-A712 WeakPolarHBondContact O-CA 3.4Å; L709-A712 WeakPolarHBondContact O-CB 3.4Å; L709-A712 PolarHBondContact O-N 3.11Å; L709-L713 HydrophobicContact CD1-CD1 3.82Å; L709-L713 HydrophobicContact CD1-CD2 4.2Å; L709-L713 HydrophobicContact CD1-CG 3.74Å; L709-L713 HydrophobicContact CD2-CD1 4.33Å; L709-L713 HydrophobicContact CG-CD1 3.79Å; L709-L713 HydrophobicContact CG-CG 4.17Å; L709-L713 WeakPolarHBondContact O-CG 3.16Å; L709-L713 PolarHBondContact O-N 2.67Å
710L81.4Confident79.7Confident6 Ų653.5 Ų53.53%0.03128%0.278CS..Hα-helixtrans-56-37.7175.9-171.573.6000110.9F690 L693 L694 V697 Y706 L707 L713 C714 L754 L757F690-L710 HydrophobicContact CD2-CD1 3.88Å; F690-L710 HydrophobicContact CD2-CG 4.44Å; F690-L710 HydrophobicContact CE2-CD1 3.82Å; F690-L710 HydrophobicContact CE2-CG 3.95Å; F690-L710 WeakPolarHBondContact CE2-O 3.31Å; L693-L710 HydrophobicContact CB-CD1 3.89Å; L694-L710 HydrophobicContact CD1-CD2 4.11Å; V697-L710 HydrophobicContact CG1-CD2 4.4Å; V697-L710 HydrophobicContact CG2-CD2 4.18Å; Y706-L710 PolarHBondContact O-N 2.73Å; L707-L710 HydrophobicContact CD2-CD2 4.28Å; L707-L710 WeakPolarHBondContact O-CB 3.35Å; L707-L710 PolarHBondContact O-N 2.82Å; L710-L713 PolarHBondContact O-N 3.39Å; L710-C714 PolarHBondContact O-N 3.01Å; L710-L754 HydrophobicContact CD2-CD2 4.15Å; L710-L757 HydrophobicContact CD2-CD2 4.38Å
711W82.4Confident80.1Confident46 Ų4655.7 Ų55.717%0.17429%0.294CS..Hα-helixtrans-66.7-37175-56.9-13.5000113.2L707 D708 L709 P756 L757L707-W711 HydrophobicContact CB-CZ2 4.15Å; L707-W711 PolarHBondContact O-N 3.45Å; L707-W711 PolarHBondContact O-NE1 2.75Å; D708-W711 HydrophobicContact CB-CE3 4.5Å; D708-W711 WeakPolarHBondContact O-CB 3.27Å; D708-W711 PolarHBondContact O-N 2.72Å; D708-W711 WeakPolarHBondContact OD1-CZ3 3.41Å; L709-W711 PolarHBondContact O-N 3.03Å; W711-P756 HydrophobicContact CH2-CB 3.86Å; W711-P756 HydrophobicContact CH2-CG 4.14Å; W711-P756 HydrophobicContact CZ2-CB 3.56Å; W711-P756 HydrophobicContact CZ2-CG 3.8Å; W711-L757 HydrophobicContact CB-CD1 4.48Å; W711-L757 HydrophobicContact CG-CD1 4.36Å
712A82.1Confident80.5Confident81 Ų8152.2 Ų52.267%0.66929%0.288SS*.Hα-helixtrans-70.4-32.1176.700000112.6D708 L709D708-A712 PolarHBondContact O-N 2.74Å; D708-A712 VanDerWaalsContact O-N 3.1Å; L709-A712 WeakPolarHBondContact O-CA 3.4Å; L709-A712 WeakPolarHBondContact O-CB 3.4Å; L709-A712 PolarHBondContact O-N 3.11Å
713L83.2Confident81Confident4 Ų448 Ų482%0.02127%0.268CS..Hα-helixtrans-82.4-12.7-179.2-65175.8000114.1A675 C679 N686 I689 F690 L693 L709 L710 P715A675-L713 HydrophobicContact CB-CD1 3.9Å; C679-L713 HydrophobicContact CB-CD2 3.3Å; C679-L713 VanDerWaalsContact SG-CD2 3.56Å; N686-L713 PolarHBondContact ND2-O 3.01Å; N686-L713 PolarHBondContact OD1-O 3.09Å; I689-L713 HydrophobicContact CG2-CD1 4.47Å; F690-L713 HydrophobicContact CD2-CB 4.19Å; L693-L713 HydrophobicContact CD1-CD1 3.72Å; L709-L713 HydrophobicContact CD1-CD1 3.82Å; L709-L713 HydrophobicContact CD1-CD2 4.2Å; L709-L713 HydrophobicContact CD1-CG 3.74Å; L709-L713 HydrophobicContact CD2-CD1 4.33Å; L709-L713 HydrophobicContact CG-CD1 3.79Å; L709-L713 HydrophobicContact CG-CG 4.17Å; L709-L713 WeakPolarHBondContact O-CG 3.16Å; L709-L713 PolarHBondContact O-N 2.67Å; L710-L713 PolarHBondContact O-N 3.39Å; L713-P715 VanDerWaalsContact O-CD 3.28Å; L713-P715 WeakPolarHBondContact O-CD 3.04Å; L713-P715 VanDerWaalsContact O-N 3.15Å
714C83.1Confident81.3Confident9 Ų950.8 Ų50.86%0.06128%0.283CS..  trans-55.2116.6-177.2-175.30000111.9F690 L710 L757F690-C714 HydrophobicContact CD2-CB 4.47Å; F690-C714 HydrophobicContact CE2-CB 3.86Å; F690-C714 HydrophobicContact CZ-CB 4.2Å; L710-C714 PolarHBondContact O-N 3.01Å; C714-L757 HydrophobicContact CB-CD1 3.95Å
715P84.5Confident81.6Confident10 Ų1053.1 Ų53.17%0.06530%0.295CS..  trans-60.2152179.4-22.833.4000112.6K687 F690 L713 D717 Y718K687-P715 HydrophobicContact CB-CG 4.28Å; K687-P715 HydrophobicContact CG-CG 4.48Å; F690-P715 HydrophobicContact CB-CG 4.32Å; F690-P715 HydrophobicContact CD1-CG 4.26Å; F690-P715 HydrophobicContact CG-CG 4.35Å; L713-P715 VanDerWaalsContact O-CD 3.28Å; L713-P715 WeakPolarHBondContact O-CD 3.04Å; L713-P715 VanDerWaalsContact O-N 3.15Å; P715-D717 VanDerWaalsContact C-N 3.29Å; P715-D717 WeakPolarHBondContact CB-OD1 3.31Å; P715-D717 PolarHBondContact O-N 3.17Å; P715-Y718 HydrophobicContact CB-CD2 3.62Å; P715-Y718 HydrophobicContact CB-CE2 4Å; P715-Y718 HydrophobicContact CB-CG 4.36Å; P715-Y718 HydrophobicContact CG-CD2 3.77Å; P715-Y718 HydrophobicContact CG-CE2 3.79Å; P715-Y718 HydrophobicContact CG-CG 4.35Å
716E79.4Confident81.6Confident148 Ų14850.2 Ų50.269%0.69227%0.274SS*.THydrogen-bonded Turntrans-69.7-24.7-178.3-65.7-169.1163.400113R771E716-R771 IonicContact OE1-NH1 3.92Å; E716-R771 IonicContact OE1-NH2 3.64Å; E716-R771 PolarHBondContact OE1-NH2 3.01Å; E716-R771 IonicContact OE2-CZ 2.75Å; E716-R771 IonicContact OE2-NH1 3.92Å; E716-R771 PolarHBondContact OE2-NH1 2.93Å; E716-R771 IonicContact OE2-NH2 3.4Å
717D79.6Confident81.6Confident100 Ų10047 Ų4754%0.53526%0.262SS..THydrogen-bonded Turntrans-88.5-0.1-177.264-48.6000114.2K687 P715K687-D717 IonicContact NZ-OD2 3.15Å; K687-D717 PolarHBondContact NZ-OD2 2.84Å; P715-D717 VanDerWaalsContact C-N 3.29Å; P715-D717 WeakPolarHBondContact CB-OD1 3.31Å; P715-D717 PolarHBondContact O-N 3.17Å
718Y81.8Confident81.5Confident13 Ų1351.3 Ų51.35%0.05129%0.285CS..  trans-84.3131.9-176-91.6-127.2000111.9K687 F690 N691 P715 T722 I723 L726 V761K687-Y718 HydrophobicContact CD-CE2 3.79Å; K687-Y718 VanDerWaalsContact CE-CE2 3.46Å; K687-Y718 WeakPolarHBondContact CE-OH 3.43Å; K687-Y718 HydrophobicContact CG-CE2 3.68Å; K687-Y718 VanDerWaalsContact CG-OH 3.27Å; K687-Y718 WeakPolarHBondContact CG-OH 3.33Å; F690-Y718 HydrophobicContact CD1-CD1 4.16Å; F690-Y718 AromaticContact CD1-CE1 3.84Å; F690-Y718 HydrophobicContact CD1-CE1 3.84Å; F690-Y718 AromaticContact CE1-CD1 3.69Å; F690-Y718 HydrophobicContact CE1-CD1 3.69Å; F690-Y718 AromaticContact CE1-CE1 3.74Å; F690-Y718 HydrophobicContact CE1-CE1 3.74Å; N691-Y718 PolarHBondContact ND2-OH 2.8Å; N691-Y718 WeakPolarHBondContact OD1-CE1 3.33Å; N691-Y718 PolarHBondContact OD1-OH 3.34Å; P715-Y718 HydrophobicContact CB-CD2 3.62Å; P715-Y718 HydrophobicContact CB-CE2 4Å; P715-Y718 HydrophobicContact CB-CG 4.36Å; P715-Y718 HydrophobicContact CG-CD2 3.77Å; P715-Y718 HydrophobicContact CG-CE2 3.79Å; P715-Y718 HydrophobicContact CG-CG 4.35Å; Y718-T722 HydrophobicContact CD1-CG2 4Å; Y718-T722 HydrophobicContact CE1-CG2 3.94Å; Y718-I723 HydrophobicContact CD1-CG1 3.88Å; Y718-L726 HydrophobicContact CE1-CD1 3.77Å; Y718-V761 VanDerWaalsContact O-CG1 3.24Å; Y718-V761 WeakPolarHBondContact O-CG1 3.39Å
719T84Confident81.4Confident48 Ų4854.2 Ų54.229%0.29429%0.292SS..  trans-95.5159171.9620000112.9T721 T722 I723 E765T719-T721 PolarHBondContact O-N 2.79Å; T719-T721 PolarHBondContact OG1-OG1 3.1Å; T719-T722 PolarHBondContact O-N 2.78Å; T719-T722 VanDerWaalsContact O-N 3.08Å; T719-T722 PolarHBondContact OG1-N 3.02Å; T719-T722 PolarHBondContact OG1-OG1 3.16Å; T719-T722 VanDerWaalsContact OG1-OG1 3.04Å; T719-I723 PolarHBondContact O-N 3.2Å; T719-I723 VanDerWaalsContact O-N 3.08Å; T719-E765 VanDerWaalsContact C-OE1 3.32Å; T719-E765 WeakPolarHBondContact CA-OE1 2.87Å; T719-E765 WeakPolarHBondContact CB-OE1 3.43Å; T719-E765 WeakPolarHBondContact CG2-OE1 3.49Å
720V81.3Confident80.9Confident26 Ų2655.7 Ų55.716%0.15830%0.3CS..Hα-helixtrans-53-40.4172.1176.20000110.6L724 L758 V761 L762 E765V720-L724 HydrophobicContact CG1-CD1 3.97Å; V720-L724 WeakPolarHBondContact O-CB 3.23Å; V720-L724 WeakPolarHBondContact O-CG 3.42Å; V720-L724 PolarHBondContact O-N 2.91Å; V720-L758 HydrophobicContact CG1-CD2 4.05Å; V720-V761 HydrophobicContact CG2-CB 4.19Å; V720-V761 HydrophobicContact CG2-CG1 3.91Å; V720-L762 HydrophobicContact CG2-CB 3.93Å; V720-L762 HydrophobicContact CG2-CD1 4.11Å; V720-E765 PolarHBondContact N-OE1 3.14Å
721T81.3Confident80.4Confident89 Ų8958.6 Ų58.655%0.54632%0.315SS..Hα-helixtrans-66.1-40.6177.343.30000112.9T719 N725T719-T721 PolarHBondContact O-N 2.79Å; T719-T721 PolarHBondContact OG1-OG1 3.1Å; T721-N725 VanDerWaalsContact O-CB 3.3Å; T721-N725 WeakPolarHBondContact O-CB 3.49Å; T721-N725 PolarHBondContact O-N 2.75Å; T721-N725 PolarHBondContact O-ND2 3.28Å; T721-N725 VanDerWaalsContact O-ND2 3.12Å
722T83Confident79.5Confident57 Ų5760.8 Ų60.835%0.3534%0.335SS..Hα-helixtrans-64.9-42.8177-63.40000111.5Y718 T719 N725 L726Y718-T722 HydrophobicContact CD1-CG2 4Å; Y718-T722 HydrophobicContact CE1-CG2 3.94Å; T719-T722 PolarHBondContact O-N 2.78Å; T719-T722 VanDerWaalsContact O-N 3.08Å; T719-T722 PolarHBondContact OG1-N 3.02Å; T719-T722 PolarHBondContact OG1-OG1 3.16Å; T719-T722 VanDerWaalsContact OG1-OG1 3.04Å; T722-N725 PolarHBondContact O-N 3.12Å; T722-L726 HydrophobicContact CG2-CD1 4.11Å; T722-L726 WeakPolarHBondContact O-CG 3.5Å; T722-L726 PolarHBondContact O-N 2.81Å
723I82.8Confident78Confident0 Ų063.5 Ų63.50%035%0.347CS..Hα-helixtrans-63.8-47.8177.6-64.8171.8000110.7F690 L694 Y718 T719 N725 L726 V727 L757 L758 V761F690-I723 HydrophobicContact CE1-CG1 4.5Å; F690-I723 HydrophobicContact CZ-CD1 4.5Å; L694-I723 HydrophobicContact CD1-CG2 4.35Å; L694-I723 HydrophobicContact CD2-CG2 3.99Å; Y718-I723 HydrophobicContact CD1-CG1 3.88Å; T719-I723 PolarHBondContact O-N 3.2Å; T719-I723 VanDerWaalsContact O-N 3.08Å; I723-N725 PolarHBondContact O-N 3.47Å; I723-L726 PolarHBondContact O-N 2.74Å; I723-V727 WeakPolarHBondContact O-CG2 3.48Å; I723-V727 PolarHBondContact O-N 2.61Å; I723-L757 HydrophobicContact CD1-CD2 4.31Å; I723-L757 HydrophobicContact CD1-CG 4.38Å; I723-L757 HydrophobicContact CG2-CD2 4.23Å; I723-L758 HydrophobicContact CB-CD2 4.08Å; I723-L758 HydrophobicContact CG2-CD2 3.76Å; I723-V761 HydrophobicContact CD1-CB 4.46Å; I723-V761 HydrophobicContact CD1-CG1 4.41Å; I723-V761 HydrophobicContact CD1-CG2 3.79Å
724L80.8Confident76.6Confident62 Ų6268 Ų6833%0.32538%0.379SS..Hα-helixtrans-63.1-41.3178.8-73.2173.2000112V720 L726 V727 L728 L758V720-L724 HydrophobicContact CG1-CD1 3.97Å; V720-L724 WeakPolarHBondContact O-CB 3.23Å; V720-L724 WeakPolarHBondContact O-CG 3.42Å; V720-L724 PolarHBondContact O-N 2.91Å; L724-L726 VanDerWaalsContact C-N 3.34Å; L724-L726 PolarHBondContact O-N 2.97Å; L724-V727 PolarHBondContact O-N 3.18Å; L724-L728 VanDerWaalsContact O-CB 3.31Å; L724-L728 WeakPolarHBondContact O-CB 3.22Å; L724-L728 WeakPolarHBondContact O-CG 3.24Å; L724-L728 PolarHBondContact O-N 2.82Å; L724-L758 HydrophobicContact CD2-CD1 3.78Å; L724-L758 HydrophobicContact CD2-CD2 4.31Å; L724-L758 HydrophobicContact CG-CD1 4.34Å; L724-L758 HydrophobicContact CG-CD2 4.15Å
725N81.4Confident74.7Confident92 Ų9272.3 Ų72.349%0.49241%0.41SS..Hα-helixtrans-64-38176.8-77.8-30.5000112.7T721 T722 I723 K729T721-N725 VanDerWaalsContact O-CB 3.3Å; T721-N725 WeakPolarHBondContact O-CB 3.49Å; T721-N725 PolarHBondContact O-N 2.75Å; T721-N725 PolarHBondContact O-ND2 3.28Å; T721-N725 VanDerWaalsContact O-ND2 3.12Å; T722-N725 PolarHBondContact O-N 3.12Å; I723-N725 PolarHBondContact O-N 3.47Å; N725-K729 WeakPolarHBondContact O-CB 3.33Å; N725-K729 VanDerWaalsContact O-CG 3.26Å; N725-K729 WeakPolarHBondContact O-CG 3.32Å; N725-K729 PolarHBondContact O-N 3.13Å; N725-K729 VanDerWaalsContact O-N 3.17Å
726L81.4Confident72.9Confident39 Ų3978.2 Ų78.220%0.20445%0.448CS..Hα-helixtrans-65.5-44.2175-82.1161.7000111.5N691 L694 Y718 T722 I723 L724 N730N691-L726 VanDerWaalsContact OD1-CD1 3.31Å; N691-L726 WeakPolarHBondContact OD1-CD1 3.29Å; L694-L726 HydrophobicContact CD2-CB 3.98Å; L694-L726 HydrophobicContact CD2-CD1 4.21Å; Y718-L726 HydrophobicContact CE1-CD1 3.77Å; T722-L726 HydrophobicContact CG2-CD1 4.11Å; T722-L726 WeakPolarHBondContact O-CG 3.5Å; T722-L726 PolarHBondContact O-N 2.81Å; I723-L726 PolarHBondContact O-N 2.74Å; L724-L726 VanDerWaalsContact C-N 3.34Å; L724-L726 PolarHBondContact O-N 2.97Å; L726-N730 PolarHBondContact O-ND2 2.64Å
727V80.2Confident71.3Confident7 Ų775.7 Ų75.74%0.04245%0.447CS..Hα-helixtrans-64.8-49.9177.4173.90000110.3L694 I723 L724 K729 N730 I731 L754L694-V727 HydrophobicContact CD1-CG2 3.89Å; L694-V727 HydrophobicContact CD2-CG2 4.24Å; L694-V727 HydrophobicContact CG-CG2 3.98Å; I723-V727 WeakPolarHBondContact O-CG2 3.48Å; I723-V727 PolarHBondContact O-N 2.61Å; L724-V727 PolarHBondContact O-N 3.18Å; V727-K729 PolarHBondContact O-N 2.95Å; V727-N730 PolarHBondContact O-N 2.86Å; V727-I731 HydrophobicContact CG1-CD1 4.28Å; V727-I731 HydrophobicContact CG1-CG1 4.32Å; V727-I731 WeakPolarHBondContact O-CG1 3.48Å; V727-I731 PolarHBondContact O-N 2.9Å; V727-I731 VanDerWaalsContact O-N 3.15Å; V727-L754 HydrophobicContact CG1-CD1 4.22Å; V727-L754 HydrophobicContact CG2-CD1 3.69Å
728L77.1Confident69.7Low110 Ų11077.1 Ų77.158%0.57646%0.461SS*.Hα-helixtrans-57.7-33.9-179.3-74.5169.4000113.4L724 N730 I731L724-L728 VanDerWaalsContact O-CB 3.31Å; L724-L728 WeakPolarHBondContact O-CB 3.22Å; L724-L728 WeakPolarHBondContact O-CG 3.24Å; L724-L728 PolarHBondContact O-N 2.82Å; L728-N730 VanDerWaalsContact C-N 3.28Å; L728-N730 PolarHBondContact O-N 3.46Å; L728-I731 HydrophobicContact CD2-CD1 4.17Å
729K77.5Confident68.3Low173 Ų17379.7 Ų79.775%0.75249%0.486SS*.Hα-helixtrans-70.7-21.2176.3-78.3177.8179.3-174.80114N725 V727N725-K729 WeakPolarHBondContact O-CB 3.33Å; N725-K729 VanDerWaalsContact O-CG 3.26Å; N725-K729 WeakPolarHBondContact O-CG 3.32Å; N725-K729 PolarHBondContact O-N 3.13Å; N725-K729 VanDerWaalsContact O-N 3.17Å; V727-K729 PolarHBondContact O-N 2.95Å
730N71.1Confident66.9Low49 Ų4983.2 Ų83.226%0.26251%0.509SS..Hα-helixtrans-114.10.7-171.7-70.5-73.7000113.7C695 S698 Q699 L726 V727 L728C695-N730 PolarHBondContact SG-ND2 3.28Å; S698-N730 WeakPolarHBondContact OG-CB 3.39Å; Q699-N730 PolarHBondContact NE2-O 2.96Å; L726-N730 PolarHBondContact O-ND2 2.64Å; V727-N730 PolarHBondContact O-N 2.86Å; L728-N730 VanDerWaalsContact C-N 3.28Å; L728-N730 PolarHBondContact O-N 3.46Å
731I69.9Low65.7Low68 Ų6891 Ų9135%0.34954%0.541SS..SBendtrans-68.6130.1169.7-65.5166.5000108.5V727 L728 C733 I751V727-I731 HydrophobicContact CG1-CD1 4.28Å; V727-I731 HydrophobicContact CG1-CG1 4.32Å; V727-I731 WeakPolarHBondContact O-CG1 3.48Å; V727-I731 PolarHBondContact O-N 2.9Å; V727-I731 VanDerWaalsContact O-N 3.15Å; L728-I731 HydrophobicContact CD2-CD1 4.17Å; I731-C733 PolarHBondContact O-N 2.61Å; I731-I751 HydrophobicContact CD1-CD1 4.17Å
732P64.4Low64.2Low92 Ų9289.6 Ų89.660%0.59754%0.539SS*.  trans-61.4127.5176.222.2-30.5000110.8S734P732-S734 PolarHBondContact O-N 3.19Å
733C51.3Low62.5Low137 Ų13792.2 Ų92.293%0.92655%0.551SS**  trans-59.5106.1172.7-85.30000109.9I731 S735I731-C733 PolarHBondContact O-N 2.61Å; C733-S735 PolarHBondContact O-N 3.3Å
734S52Low60.8Low99 Ų9998.1 Ų98.169%0.69259%0.589SS**  trans-63.3124.6168.444.40000109.8P732P732-S734 PolarHBondContact O-N 3.19Å
735S43.5Very low59.2Low99 Ų99103.1 Ų103.169%0.69261%0.61SS**  trans-55.2147.9168.951.60000111.4C733 S737C733-S735 PolarHBondContact O-N 3.3Å; S735-S737 PolarHBondContact O-N 3.5Å
736P47.4Very low57.6Low134 Ų134100.9 Ų100.987%0.8760%0.602SS**SBendtrans-82.382.9-170.234.1-33.7000111.3
737S44.9Very low56.1Low95 Ų95103.7 Ų103.766%0.66463%0.625SS**  trans-151102.5154.567.40000109.7S735 A739S735-S737 PolarHBondContact O-N 3.5Å; S737-A739 PolarHBondContact O-N 3.34Å; S737-A739 VanDerWaalsContact O-N 3.14Å
738P47.6Very low54.8Low130 Ų130109.5 Ų109.584%0.84465%0.652SS**  trans-80.597174.931.1-27.8000108.2
739A51.8Low53.7Low68 Ų68106.5 Ų106.556%0.56264%0.636SS**  trans-73131.2156.400000107.2S737 F741S737-A739 PolarHBondContact O-N 3.34Å; S737-A739 VanDerWaalsContact O-N 3.14Å; A739-F741 PolarHBondContact O-N 3.06Å
740P54.4Low52.8Low122 Ų122100.6 Ų100.679%0.79262%0.619SS**SBendtrans-68.2-5.2-174.925.3-32000113.9
741F55.8Low52.3Low188 Ų188102.3 Ų102.383%0.82563%0.628SS**SBendtrans-130.892.6169.7-63.3-81.3000108.5A739A739-F741 PolarHBondContact O-N 3.06Å
742A49Very low51.9Low61 Ų61101.6 Ų101.650%0.50464%0.637SS.*  trans-72.2144166.200000109.4
743D47.1Very low52.2Low112 Ų112100.3 Ų100.360%0.59962%0.623SS**  trans-43136.4177.9-132.7-30.1000111.6H745 S746D743-H745 PolarHBondContact O-N 3.08Å; D743-S746 VanDerWaalsContact O-CB 3.23Å; D743-S746 WeakPolarHBondContact O-CB 3.32Å; D743-S746 PolarHBondContact O-N 3.47Å; D743-S746 PolarHBondContact O-OG 3.27Å
744P48.1Very low53.2Low124 Ų12494.2 Ų94.281%0.80558%0.581SS**THydrogen-bonded Turntrans-59.9-11.4172.921.6-32.6000113.7
745H46.2Very low54.4Low166 Ų16694.8 Ų94.877%0.76957%0.571SS**THydrogen-bonded Turntrans-95.34.9171.3-61.6-62.3000114D743 S747D743-H745 PolarHBondContact O-N 3.08Å; H745-S747 PolarHBondContact O-N 2.94Å
746S48.4Very low56Low45 Ų4592.6 Ų92.632%0.31556%0.555SS.*  trans-67.7115.4173.964.50000110D743 Q748D743-S746 VanDerWaalsContact O-CB 3.23Å; D743-S746 WeakPolarHBondContact O-CB 3.32Å; D743-S746 PolarHBondContact O-N 3.47Å; D743-S746 PolarHBondContact O-OG 3.27Å; S746-Q748 PolarHBondContact O-N 3.49Å
747S50.1Low57.6Low98 Ų9886.3 Ų86.369%0.68551%0.514SS*.  trans-72.144.1179.254.50000112.3H745 L749H745-S747 PolarHBondContact O-N 2.94Å; S747-L749 PolarHBondContact O-N 3.2Å
748Q53.3Low59.2Low129 Ų12983.1 Ų83.160%0.60349%0.489SS*.  trans-79.2111.9173.7-73.5-169.2-8.500109.1R701 S746R701-Q748 PolarHBondContact NH2-O 3.39Å; S746-Q748 PolarHBondContact O-N 3.49Å
749L54.3Low60.7Low47 Ų4783.8 Ų83.825%0.24648%0.475CS..  trans-65.5131.6-176.3-117.7117.7000112.1V697 S698 R701 S747 I751V697-L749 WeakPolarHBondContact O-CD2 3.47Å; S698-L749 VanDerWaalsContact C-CD1 3.47Å; S698-L749 WeakPolarHBondContact O-CD1 3.19Å; R701-L749 HydrophobicContact CG-CG 4.47Å; S747-L749 PolarHBondContact O-N 3.2Å; L749-I751 PolarHBondContact O-N 3.17Å; L749-I751 VanDerWaalsContact O-N 3.12Å
750A57.1Low61.9Low49 Ų4985 Ų8541%0.40547%0.467SS..  trans-79.396.3172.200000108.6G752 Q753A750-G752 PolarHBondContact O-N 3.34Å; A750-Q753 PolarHBondContact O-N 2.91Å
751I60.8Low63.2Low85 Ų8579.4 Ų79.444%0.43643%0.431SS..G310 helixtrans-46.1-25.1167.8-65.8167.3000111.4I731 L749 Q753 L754I731-I751 HydrophobicContact CD1-CD1 4.17Å; L749-I751 PolarHBondContact O-N 3.17Å; L749-I751 VanDerWaalsContact O-N 3.12Å; I751-Q753 PolarHBondContact O-N 2.65Å; I751-L754 PolarHBondContact O-N 3.27Å; I751-L754 VanDerWaalsContact O-N 3.08Å
752G62.9Low64.4Low53 Ų5374.7 Ų74.755%0.54641%0.414SS..G310 helixtrans-54.5-25.4171.400000116A750 L754 K755A750-G752 PolarHBondContact O-N 3.34Å; G752-L754 VanDerWaalsContact C-N 3.33Å; G752-K755 WeakPolarHBondContact O-CB 3.2Å; G752-K755 PolarHBondContact O-N 3.05Å
753Q70.3Confident65.7Low66 Ų6677.5 Ų77.531%0.30842%0.417SS..G310 helixtrans-74.3-20.9176.2-72.7-176.3-20.900113.4D704 L707 A750 I751 K755 P756D704-Q753 VanDerWaalsContact CG-OE1 3.25Å; D704-Q753 PolarHBondContact OD1-OE1 2.93Å; D704-Q753 VanDerWaalsContact OD1-OE1 3.14Å; D704-Q753 PolarHBondContact OD2-NE2 2.85Å; D704-Q753 PolarHBondContact OD2-OE1 3.03Å; L707-Q753 HydrophobicContact CD1-CB 4.09Å; A750-Q753 PolarHBondContact O-N 2.91Å; I751-Q753 PolarHBondContact O-N 2.65Å; Q753-K755 VanDerWaalsContact C-N 3.32Å; Q753-P756 WeakPolarHBondContact O-CD 3.43Å
754L72.8Confident67.2Low8 Ų878.5 Ų78.54%0.04241%0.412CS..G310 helixtrans-83-8.4171.7-65.9173.7000112.7L694 V697 L710 V727 I751 G752 P756 L757 L758L694-L754 HydrophobicContact CD1-CD2 4.26Å; V697-L754 HydrophobicContact CG1-CD2 4.29Å; L710-L754 HydrophobicContact CD2-CD2 4.15Å; V727-L754 HydrophobicContact CG1-CD1 4.22Å; V727-L754 HydrophobicContact CG2-CD1 3.69Å; I751-L754 PolarHBondContact O-N 3.27Å; I751-L754 VanDerWaalsContact O-N 3.08Å; G752-L754 VanDerWaalsContact C-N 3.33Å; L754-P756 VanDerWaalsContact C-N 3.33Å; L754-L757 HydrophobicContact CD2-CD2 4.22Å; L754-L757 WeakPolarHBondContact O-CB 3.25Å; L754-L757 PolarHBondContact O-N 2.91Å; L754-L758 WeakPolarHBondContact O-CG 3.29Å; L754-L758 PolarHBondContact O-N 3.01Å
755K75.8Confident68.3Low112 Ų11276.7 Ų76.749%0.48739%0.393SS..Hα-helixtrans-52.5-39.8179.2-169.6179-173.2177.80113.9G752 Q753 R759G752-K755 WeakPolarHBondContact O-CB 3.2Å; G752-K755 PolarHBondContact O-N 3.05Å; Q753-K755 VanDerWaalsContact C-N 3.32Å; K755-R759 WeakPolarHBondContact O-CB 3.41Å; K755-R759 VanDerWaalsContact O-CG 3.27Å; K755-R759 WeakPolarHBondContact O-CG 3.39Å; K755-R759 PolarHBondContact O-N 3.07Å
756P78.3Confident69.1Low52 Ų5273.7 Ų73.734%0.33839%0.386SS..Hα-helixtrans-67.4-37.6175.7-18.833.4000113.1W711 Q753 L754 R759 K760W711-P756 HydrophobicContact CH2-CB 3.86Å; W711-P756 HydrophobicContact CH2-CG 4.14Å; W711-P756 HydrophobicContact CZ2-CB 3.56Å; W711-P756 HydrophobicContact CZ2-CG 3.8Å; Q753-P756 WeakPolarHBondContact O-CD 3.43Å; L754-P756 VanDerWaalsContact C-N 3.33Å; P756-R759 PolarHBondContact O-N 3.23Å; P756-K760 WeakPolarHBondContact O-CG 3.32Å; P756-K760 PolarHBondContact O-N 3.16Å
757L79.6Confident69.7Low3 Ų378.8 Ų78.82%0.01640%0.403CS..Hα-helixtrans-61.9-51.7173.6178.866.1000110.3F690 L710 W711 C714 I723 L754 R759 K760 V761F690-L757 HydrophobicContact CZ-CD2 4.27Å; L710-L757 HydrophobicContact CD2-CD2 4.38Å; W711-L757 HydrophobicContact CB-CD1 4.48Å; W711-L757 HydrophobicContact CG-CD1 4.36Å; C714-L757 HydrophobicContact CB-CD1 3.95Å; I723-L757 HydrophobicContact CD1-CD2 4.31Å; I723-L757 HydrophobicContact CD1-CG 4.38Å; I723-L757 HydrophobicContact CG2-CD2 4.23Å; L754-L757 HydrophobicContact CD2-CD2 4.22Å; L754-L757 WeakPolarHBondContact O-CB 3.25Å; L754-L757 PolarHBondContact O-N 2.91Å; L757-R759 VanDerWaalsContact C-N 3.31Å; L757-R759 PolarHBondContact O-N 3.15Å; L757-K760 PolarHBondContact O-N 3.35Å; L757-K760 VanDerWaalsContact O-N 3.13Å; L757-V761 HydrophobicContact CD1-CG2 4.39Å; L757-V761 WeakPolarHBondContact O-CG2 3.26Å; L757-V761 PolarHBondContact O-N 3.11Å
758L80.4Confident69.7Low27 Ų2779.9 Ų79.914%0.14141%0.408CS..Hα-helixtrans-62-38.3-179.6-61.3172.7000111.6V720 I723 L724 L754 V761 L762V720-L758 HydrophobicContact CG1-CD2 4.05Å; I723-L758 HydrophobicContact CB-CD2 4.08Å; I723-L758 HydrophobicContact CG2-CD2 3.76Å; L724-L758 HydrophobicContact CD2-CD1 3.78Å; L724-L758 HydrophobicContact CD2-CD2 4.31Å; L724-L758 HydrophobicContact CG-CD1 4.34Å; L724-L758 HydrophobicContact CG-CD2 4.15Å; L754-L758 WeakPolarHBondContact O-CG 3.29Å; L754-L758 PolarHBondContact O-N 3.01Å; L758-V761 PolarHBondContact O-N 2.99Å; L758-L762 WeakPolarHBondContact O-CB 3.2Å; L758-L762 PolarHBondContact O-N 3.36Å
759R79.1Confident69.6Low145 Ų14578.1 Ų78.155%0.54741%0.41SS..Hα-helixtrans-63.2-43.7173-79.4175.4173.3-177.6-5.5112.3K755 P756 L757 Q763K755-R759 WeakPolarHBondContact O-CB 3.41Å; K755-R759 VanDerWaalsContact O-CG 3.27Å; K755-R759 WeakPolarHBondContact O-CG 3.39Å; K755-R759 PolarHBondContact O-N 3.07Å; P756-R759 PolarHBondContact O-N 3.23Å; L757-R759 VanDerWaalsContact C-N 3.31Å; L757-R759 PolarHBondContact O-N 3.15Å; R759-Q763 WeakPolarHBondContact O-CB 3.37Å; R759-Q763 VanDerWaalsContact O-CG 3.23Å; R759-Q763 WeakPolarHBondContact O-CG 3.33Å; R759-Q763 PolarHBondContact O-N 3.05Å
760K76.5Confident69.4Low93 Ų9383.9 Ų83.940%0.40444%0.435SS..Hα-helixtrans-64.4-40.9177.2-79.7-179.8177.2173.50111.8P756 L757 Q763 R764P756-K760 WeakPolarHBondContact O-CG 3.32Å; P756-K760 PolarHBondContact O-N 3.16Å; L757-K760 PolarHBondContact O-N 3.35Å; L757-K760 VanDerWaalsContact O-N 3.13Å; K760-Q763 PolarHBondContact O-N 3.34Å; K760-R764 WeakPolarHBondContact O-CG 3.2Å; K760-R764 PolarHBondContact O-N 3.28Å; K760-R764 VanDerWaalsContact O-N 3.14Å
761V81.4Confident69Low4 Ų489.7 Ų89.72%0.02445%0.447CS..Hα-helixtrans-68.1-45.7176.8176.10000110.8Y718 V720 I723 L757 L758 Q763 R764 E765Y718-V761 VanDerWaalsContact O-CG1 3.24Å; Y718-V761 WeakPolarHBondContact O-CG1 3.39Å; V720-V761 HydrophobicContact CG2-CB 4.19Å; V720-V761 HydrophobicContact CG2-CG1 3.91Å; I723-V761 HydrophobicContact CD1-CB 4.46Å; I723-V761 HydrophobicContact CD1-CG1 4.41Å; I723-V761 HydrophobicContact CD1-CG2 3.79Å; L757-V761 HydrophobicContact CD1-CG2 4.39Å; L757-V761 WeakPolarHBondContact O-CG2 3.26Å; L757-V761 PolarHBondContact O-N 3.11Å; L758-V761 PolarHBondContact O-N 2.99Å; V761-Q763 VanDerWaalsContact C-N 3.28Å; V761-Q763 PolarHBondContact O-N 2.76Å; V761-R764 WeakPolarHBondContact O-CA 3.17Å; V761-R764 WeakPolarHBondContact O-CB 3.31Å; V761-R764 PolarHBondContact O-N 2.89Å; V761-E765 HydrophobicContact CG1-CG 4.38Å; V761-E765 WeakPolarHBondContact O-CG 3.4Å; V761-E765 PolarHBondContact O-N 2.97Å
762L80.3Confident68.3Low90 Ų9094.3 Ų94.347%0.47146%0.46SS..Hα-helixtrans-59-38.5175.7-169.470.7000112.2V720 L758 R764 T766V720-L762 HydrophobicContact CG2-CB 3.93Å; V720-L762 HydrophobicContact CG2-CD1 4.11Å; L758-L762 WeakPolarHBondContact O-CB 3.2Å; L758-L762 PolarHBondContact O-N 3.36Å; L762-R764 VanDerWaalsContact C-N 3.31Å; L762-R764 PolarHBondContact O-N 2.74Å; L762-T766 WeakPolarHBondContact O-CB 3.39Å; L762-T766 VanDerWaalsContact O-CG2 3.29Å; L762-T766 WeakPolarHBondContact O-CG2 3.28Å; L762-T766 PolarHBondContact O-N 3.26Å; L762-T766 PolarHBondContact O-OG1 3.01Å
763Q77Confident67.5Low120 Ų12094.8 Ų94.856%0.56146%0.458SS*.Hα-helixtrans-68.4-26.3174-76175.42.900113.6R759 K760 V761 T766 K767R759-Q763 WeakPolarHBondContact O-CB 3.37Å; R759-Q763 VanDerWaalsContact O-CG 3.23Å; R759-Q763 WeakPolarHBondContact O-CG 3.33Å; R759-Q763 PolarHBondContact O-N 3.05Å; K760-Q763 PolarHBondContact O-N 3.34Å; V761-Q763 VanDerWaalsContact C-N 3.28Å; V761-Q763 PolarHBondContact O-N 2.76Å; Q763-T766 WeakPolarHBondContact CA-OG1 3.42Å; Q763-K767 WeakPolarHBondContact O-CG 3.18Å
764R78.3Confident66.4Low132 Ų13297.7 Ų97.750%0.49848%0.476SS..Hα-helixtrans-78-44.1173.7-72172.7-177.9-179.30.2110.9K760 V761 L762 T766 K767K760-R764 WeakPolarHBondContact O-CG 3.2Å; K760-R764 PolarHBondContact O-N 3.28Å; K760-R764 VanDerWaalsContact O-N 3.14Å; V761-R764 WeakPolarHBondContact O-CA 3.17Å; V761-R764 WeakPolarHBondContact O-CB 3.31Å; V761-R764 PolarHBondContact O-N 2.89Å; L762-R764 VanDerWaalsContact C-N 3.31Å; L762-R764 PolarHBondContact O-N 2.74Å; R764-T766 VanDerWaalsContact C-N 3.31Å; R764-T766 PolarHBondContact O-N 3.38Å; R764-K767 PolarHBondContact O-N 2.79Å
765E70.9Confident65.4Low87 Ų87103.2 Ų103.241%0.40751%0.505SS..Hα-helixtrans-61.3-37.6177-71.2176.2168.600112.9T719 V720 V761 K767T719-E765 VanDerWaalsContact C-OE1 3.32Å; T719-E765 WeakPolarHBondContact CA-OE1 2.87Å; T719-E765 WeakPolarHBondContact CB-OE1 3.43Å; T719-E765 WeakPolarHBondContact CG2-OE1 3.49Å; V720-E765 PolarHBondContact N-OE1 3.14Å; V761-E765 HydrophobicContact CG1-CG 4.38Å; V761-E765 WeakPolarHBondContact O-CG 3.4Å; V761-E765 PolarHBondContact O-N 2.97Å; E765-K767 VanDerWaalsContact C-N 3.33Å
766T64.4Low64.1Low103 Ų103105.4 Ų105.463%0.63252%0.521SS*.THydrogen-bonded Turntrans-82.3-6-177.249.70000114L762 Q763 R764L762-T766 WeakPolarHBondContact O-CB 3.39Å; L762-T766 VanDerWaalsContact O-CG2 3.29Å; L762-T766 WeakPolarHBondContact O-CG2 3.28Å; L762-T766 PolarHBondContact O-N 3.26Å; L762-T766 PolarHBondContact O-OG1 3.01Å; Q763-T766 WeakPolarHBondContact CA-OG1 3.42Å; R764-T766 VanDerWaalsContact C-N 3.31Å; R764-T766 PolarHBondContact O-N 3.38Å
767K59.8Low62.8Low152 Ų152110.7 Ų110.766%0.66154%0.541SS*.SBendtrans-91.9128.1173.4-79.1178.6179.9-175.50110Q763 R764 E765 S769Q763-K767 WeakPolarHBondContact O-CG 3.18Å; R764-K767 PolarHBondContact O-N 2.79Å; E765-K767 VanDerWaalsContact C-N 3.33Å; K767-S769 PolarHBondContact O-N 2.83Å
768P49.9Very low60.9Low121 Ų121115.1 Ų115.179%0.78657%0.572SS**  trans-63.8123175.225.3-30.9000109.6Q770P768-Q770 PolarHBondContact O-N 3.5Å; P768-Q770 VanDerWaalsContact O-N 3.1Å
769S50.7Low59.4Low92 Ų92119.6 Ų119.664%0.64360%0.603SS**  trans-70.8101.9179.247.60000110.4K767 R771K767-S769 PolarHBondContact O-N 2.83Å; S769-R771 PolarHBondContact O-N 3.05Å
770Q50.1Low57.9Low168 Ų168120.1 Ų120.179%0.78562%0.616SS**G310 helixtrans-60.6-9.4174.3-77.4178.1-27.800114P768 Y772 A773P768-Q770 PolarHBondContact O-N 3.5Å; P768-Q770 VanDerWaalsContact O-N 3.1Å; Q770-Y772 PolarHBondContact O-N 3.42Å; Q770-Y772 VanDerWaalsContact O-N 3.15Å; Q770-A773 WeakPolarHBondContact O-CB 3.34Å; Q770-A773 PolarHBondContact O-N 3.07Å
771R49Very low56.5Low171 Ų171126 Ų12665%0.64564%0.637SS**G310 helixtrans-65.9-14.2-177-72.2-167.5-178.11626.2115.1E716 S769E716-R771 IonicContact OE1-NH1 3.92Å; E716-R771 IonicContact OE1-NH2 3.64Å; E716-R771 PolarHBondContact OE1-NH2 3.01Å; E716-R771 IonicContact OE2-CZ 2.75Å; E716-R771 IonicContact OE2-NH1 3.92Å; E716-R771 PolarHBondContact OE2-NH1 2.93Å; E716-R771 IonicContact OE2-NH2 3.4Å; S769-R771 PolarHBondContact O-N 3.05Å
772Y45.7Very low55Low181 Ų181131.1 Ų131.171%0.7167%0.67SS**G310 helixtrans-91.1-11.3172.5-91.9-82.6000114.2Q770 I775Q770-Y772 PolarHBondContact O-N 3.42Å; Q770-Y772 VanDerWaalsContact O-N 3.15Å; Y772-I775 HydrophobicContact CD1-CD1 4.44Å
773A47.9Very low53.5Low63 Ų63132.6 Ų132.652%0.52169%0.685SS.*THydrogen-bonded Turntrans-73.9-32.8177.200000112Q770Q770-A773 WeakPolarHBondContact O-CB 3.34Å; Q770-A773 PolarHBondContact O-N 3.07Å
774D46.8Very low52.2Low127 Ų127133 Ų13368%0.67970%0.698SS**G310 helixtrans-81.7-17.2-177-67.8-24.2000113.8L776D774-L776 VanDerWaalsContact C-N 3.29Å; D774-L776 PolarHBondContact O-N 2.85Å
775I52.1Low50.5Low125 Ų125131.5 Ų131.564%0.64171%0.714SS**G310 helixtrans-77.8-17.3178.4-60.5172.9000111.5Y772Y772-I775 HydrophobicContact CD1-CD1 4.44Å
776L47.4Very low49.5Very low157 Ų157135.2 Ų135.282%0.82274%0.736SS**G310 helixtrans-92.73.2176.7-68.7176.2000114.1D774D774-L776 VanDerWaalsContact C-N 3.29Å; D774-L776 PolarHBondContact O-N 2.85Å
777Q50.9Low48.9Very low163 Ų163136 Ų13676%0.76274%0.743SS**  trans-115.272.6172.8-67-164.8-3.300111.1
778S40.1Very low48.3Very low97 Ų97140.5 Ų140.568%0.67876%0.755SS**  trans-72.8136.2166.3730000110.8
779P48.9Very low48.1Very low120 Ų120144 Ų14478%0.77976%0.761SS**  trans-71.7130.6164.1-6.422000110.5Y781P779-Y781 VanDerWaalsContact C-N 3.28Å; P779-Y781 PolarHBondContact O-N 3.23Å
780L48.4Very low48.1Very low157 Ų157144 Ų14482%0.82277%0.767SS**SBendtrans-66.757.9179-80.2153.2000114.1
781Y45.9Very low47.8Very low215 Ų215146.3 Ų146.384%0.84379%0.793SS**  trans-154.5130.1164.1-79.4-71000112.1P779P779-Y781 VanDerWaalsContact C-N 3.28Å; P779-Y781 PolarHBondContact O-N 3.23Å
782P50Low47.7Very low113 Ų113145.1 Ų145.173%0.73480%0.8SS**PPolyproline II helixtrans-72.9149.3169.731.1-31.5000110.2
783P49.4Very low47.8Very low120 Ų120143.2 Ų143.278%0.77981%0.805SS**PPolyproline II helixtrans-69.2146176.527.7-31.5000111.1
784P50.4Low47.8Very low129 Ų129147.6 Ų147.684%0.83882%0.821SS**PPolyproline II helixtrans-69.8141.7-177.49.8-3.9000112.6
785A41.4Very low47.9Very low101 Ų101148.8 Ų148.884%0.83583%0.829SS**PPolyproline II helixtrans-69.3137.2177.600000112.2
786L50Low47.6Very low164 Ų164150.3 Ų150.386%0.85984%0.841SS**PPolyproline II helixtrans-65.6146176-78.3160.1000112.1
787P51.2Low47.6Very low119 Ų119149.9 Ų149.977%0.77384%0.842SS**PPolyproline II helixtrans-70.8134.1-176.4-8.723.3000112.1Q789P787-Q789 PolarHBondContact O-N 3.48Å
788R47.1Very low47.4Very low247 Ų247148.9 Ų148.993%0.93285%0.848SS**PPolyproline II helixtrans-71.5121.1171-67177-179.1160.4-0.1109.4
789Q46.1Very low47.9Very low195 Ų195152.9 Ų152.991%0.91186%0.861SS**PPolyproline II helixtrans-72.3132.6163.2-79.7-178.8-22.200109.2P787P787-Q789 PolarHBondContact O-N 3.48Å
790A50.4Low47.9Very low91 Ų91155.7 Ų155.775%0.75287%0.867SS**PPolyproline II helixtrans-83.5124.8174.500000109.7
791T43.8Very low47.8Very low217 Ų217155.5 Ų155.5100%1.33187%0.872SS**  trans39.90160.853.10000119.8

Retrieved 791 of 791 residues in 1719.7 ms (Link to these results)

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