A0A087XVR5_POEFO Loading...

ornithine decarboxylase

Catalyzes the first and rate-limiting step of polyamine biosynthesis that converts ornithine into putrescine, which is the precursor for the polyamines, spermidine and spermine. Polyamines are essential for cell proliferation and are implicated in cellular processes, ranging from DNA replication to apoptosis.

AlphaFold DB , UniProt , Accession A0A087XVR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 460 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
1M29Very low47.9Very low237 Ų237132.5 Ų132.5100%1.16769%0.692SS**  095.90-76.1176.6-179.500105.9T3M1-T3 PolarHBondContact O-N 2.97Å
2N26Very low51.6Low162 Ų162127.9 Ų127.987%0.86668%0.68SS**  trans-86.9109.1-170.2-74.9-2.9000109.7
3T28.2Very low54.8Low136 Ų136124 Ų12483%0.83465%0.654SS**  trans-81.9103.316133.90000108.6M1M1-T3 PolarHBondContact O-N 2.97Å
4T31.1Very low57.2Low128 Ų128116.1 Ų116.179%0.78561%0.612SS**  trans-97.3105.8166.31.70000108.2L6T4-L6 PolarHBondContact O-N 3.31Å; T4-L6 VanDerWaalsContact O-N 3.11Å
5T35.9Very low59.1Low120 Ų120117.5 Ų117.574%0.73661%0.614SS**  trans-65.797.917738.20000111.2N7T5-N7 VanDerWaalsContact C-N 3.28Å
6L45.1Very low60.7Low90 Ų90122.6 Ų122.647%0.47163%0.634SS.*  trans-91.213.7160.9-104.4140000112T4 M78 W415T4-L6 PolarHBondContact O-N 3.31Å; T4-L6 VanDerWaalsContact O-N 3.11Å; L6-M78 HydrophobicContact CD2-CE 3.66Å; L6-M78 HydrophobicContact CG-CE 4.15Å; L6-W415 HydrophobicContact CD2-CH2 3.78Å
7N43.5Very low62Low151 Ų151119.6 Ų119.681%0.80764%0.64SS**  trans-103.667.5-172.5-77.91.6000112.9T5T5-N7 VanDerWaalsContact C-N 3.28Å
8K54.7Low63.4Low160 Ų160118.7 Ų118.770%0.69663%0.629SS**SBendtrans-134.4-5.6171.8-81-166.8179.5179.50117.2
9F67Low64.9Low43 Ų43114.8 Ų114.819%0.18961%0.613CS.*  trans-145.3143.3168.175.9-88.8000110.5F11 L45 A75 M78F9-F11 HydrophobicContact CD2-CD1 4.35Å; F9-F11 HydrophobicContact CE2-CB 4.25Å; F9-F11 AromaticContact CE2-CD1 3.74Å; F9-F11 HydrophobicContact CE2-CD1 3.74Å; F9-F11 HydrophobicContact CE2-CG 4.37Å; F9-F11 HydrophobicContact CZ-CD1 4.29Å; F9-L45 HydrophobicContact CE2-CD1 3.87Å; F9-L45 HydrophobicContact CZ-CD1 4.27Å; F9-A75 HydrophobicContact CD1-CB 4.48Å; F9-A75 HydrophobicContact CD2-CB 3.58Å; F9-A75 HydrophobicContact CE1-CB 4.42Å; F9-A75 HydrophobicContact CE2-CB 3.52Å; F9-A75 HydrophobicContact CG-CB 4.08Å; F9-A75 HydrophobicContact CZ-CB 3.96Å; F9-M78 HydrophobicContact CD1-CB 4.45Å; F9-M78 HydrophobicContact CD1-CG 4.49Å; F9-M78 HydrophobicContact CD1-SD 3.67Å; F9-M78 HydrophobicContact CE1-CB 3.81Å; F9-M78 HydrophobicContact CE1-CE 4.17Å; F9-M78 HydrophobicContact CE1-CG 3.79Å; F9-M78 HydrophobicContact CE1-SD 3.44Å; F9-M78 WeakPolarHBondContact CE1-SD 3.29Å
10E77.9Confident66.3Low186 Ų186110.2 Ų110.287%0.86959%0.591SS**  trans-92.1134.9178.4-68.3-174.4162.500109.7
11F88.4Confident67.5Low44 Ų44112.2 Ų112.219%0.19359%0.59CS.*  trans-136.6155.1168.468.8-88.3000108.5F9 F13 L45 Y408 M410 W415F9-F11 HydrophobicContact CD2-CD1 4.35Å; F9-F11 HydrophobicContact CE2-CB 4.25Å; F9-F11 AromaticContact CE2-CD1 3.74Å; F9-F11 HydrophobicContact CE2-CD1 3.74Å; F9-F11 HydrophobicContact CE2-CG 4.37Å; F9-F11 HydrophobicContact CZ-CD1 4.29Å; F11-F13 HydrophobicContact CE2-CD1 4.09Å; F11-F13 AromaticContact CE2-CE1 3.66Å; F11-F13 HydrophobicContact CE2-CE1 3.66Å; F11-F13 AromaticContact CE2-CZ 3.91Å; F11-F13 HydrophobicContact CE2-CZ 3.91Å; F11-F13 HydrophobicContact CZ-CE1 4.14Å; F11-F13 HydrophobicContact CZ-CZ 4.04Å; F11-L45 HydrophobicContact CB-CD1 4.4Å; F11-Y408 CarbonylContact C-O 3.58Å; F11-Y408 WeakPolarHBondContact CA-O 3.48Å; F11-Y408 WeakPolarHBondContact CB-O 3.33Å; F11-M410 HydrophobicContact CD2-CB 3.92Å; F11-M410 HydrophobicContact CE2-CB 3.93Å; F11-W415 HydrophobicContact CE1-CE3 4.3Å; F11-W415 HydrophobicContact CE1-CH2 4.29Å; F11-W415 AromaticContact CE1-CZ3 4Å; F11-W415 HydrophobicContact CE1-CZ3 4Å; F11-W415 HydrophobicContact CE2-CE3 4.44Å; F11-W415 AromaticContact CZ-CD2 3.92Å; F11-W415 HydrophobicContact CZ-CD2 3.92Å; F11-W415 AromaticContact CZ-CE3 3.63Å; F11-W415 HydrophobicContact CZ-CE3 3.63Å; F11-W415 HydrophobicContact CZ-CH2 4.22Å; F11-W415 AromaticContact CZ-CZ3 3.79Å; F11-W415 HydrophobicContact CZ-CZ3 3.79Å
12S92.1Very high70.5Confident78 Ų78103.4 Ų103.455%0.54555%0.548SS..EExtended strand (participates in β ladder)trans-98.8140.8178.7-64.80000111.7Y408 V409 M410S12-Y408 PolarHBondContact N-O 3.45Å; S12-V409 VanDerWaalsContact O-CA 3.31Å; S12-V409 WeakPolarHBondContact O-CA 3.38Å; S12-M410 PolarHBondContact O-N 3.33Å; S12-M410 VanDerWaalsContact O-N 3.07Å
13F93.3Very high73.7Confident77 Ų7796.8 Ų96.834%0.33851%0.513SS..EExtended strand (participates in β ladder)trans-76.3133.6171-73.3-66.3000110.4F11 M410 R412 W415F11-F13 HydrophobicContact CE2-CD1 4.09Å; F11-F13 AromaticContact CE2-CE1 3.66Å; F11-F13 HydrophobicContact CE2-CE1 3.66Å; F11-F13 AromaticContact CE2-CZ 3.91Å; F11-F13 HydrophobicContact CE2-CZ 3.91Å; F11-F13 HydrophobicContact CZ-CE1 4.14Å; F11-F13 HydrophobicContact CZ-CZ 4.04Å; F13-M410 VanDerWaalsContact CA-O 3.29Å; F13-M410 WeakPolarHBondContact CA-O 3.34Å; F13-R412 HydrophobicContact CB-CG 4.26Å; F13-R412 HydrophobicContact CD1-CG 3.86Å; F13-R412 HydrophobicContact CE1-CG 4.49Å; F13-R412 HydrophobicContact CG-CG 4.12Å; F13-W415 HydrophobicContact CE1-CB 3.66Å; F13-W415 AromaticContact CE1-CD1 3.75Å; F13-W415 HydrophobicContact CE1-CD2 4.41Å; F13-W415 AromaticContact CE1-CG 3.64Å; F13-W415 HydrophobicContact CE1-CG 3.64Å; F13-W415 HydrophobicContact CZ-CB 4.47Å; F13-W415 AromaticContact CZ-CD1 3.74Å; F13-W415 HydrophobicContact CZ-CD2 4.47Å; F13-W415 AromaticContact CZ-CG 3.96Å; F13-W415 HydrophobicContact CZ-CG 3.96Å
14L89.4Confident76.9Confident13 Ų1390.7 Ų90.77%0.06848%0.475CS..EExtended strand (participates in β ladder)trans-69135166.1-61.6173.8000109.4I23 V409 M410L14-I23 HydrophobicContact CD2-CD1 3.9Å; L14-I23 HydrophobicContact CD2-CG1 3.39Å; L14-V409 HydrophobicContact CD1-CG2 4.46Å; L14-V409 HydrophobicContact CD2-CB 3.9Å; L14-V409 HydrophobicContact CD2-CG1 4.35Å; L14-V409 HydrophobicContact CD2-CG2 4.08Å; L14-V409 HydrophobicContact CG-CB 4.19Å; L14-V409 HydrophobicContact CG-CG2 4.42Å; L14-M410 PolarHBondContact N-O 3.29Å
15E85.3Confident79.8Confident138 Ų13888.6 Ų88.665%0.64546%0.456SS*.PPolyproline II helixtrans-66.9158.9168.5-65.5-168.3174.800110.7G17 F18E15-G17 PolarHBondContact O-N 3.15Å; E15-F18 HydrophobicContact CB-CB 4.41Å; E15-F18 HydrophobicContact CB-CD2 3.73Å; E15-F18 HydrophobicContact CB-CE2 4.28Å; E15-F18 HydrophobicContact CB-CG 4.19Å; E15-F18 PolarHBondContact O-N 2.85Å
16E84.3Confident82.5Confident199 Ų19987 Ų8793%0.9344%0.44SS*.THydrogen-bonded Turntrans-63.2127.1-179.4-169171.9-176.200110.4F18E16-F18 VanDerWaalsContact C-N 3.31Å
17G82.8Confident84.7Confident71 Ų7184.8 Ų84.873%0.73243%0.427SS*.THydrogen-bonded Turntrans84.2-5.9-17500000115.4E15E15-G17 PolarHBondContact O-N 3.15Å
18F87.8Confident87.1Confident103 Ų10377.9 Ų77.945%0.45239%0.39SS..  trans-92.9143.4175.3-75.8-111.1000111.6E15 E16 D22E15-F18 HydrophobicContact CB-CB 4.41Å; E15-F18 HydrophobicContact CB-CD2 3.73Å; E15-F18 HydrophobicContact CB-CE2 4.28Å; E15-F18 HydrophobicContact CB-CG 4.19Å; E15-F18 PolarHBondContact O-N 2.85Å; E16-F18 VanDerWaalsContact C-N 3.31Å; F18-D22 HydrophobicContact CD1-CB 3.74Å; F18-D22 HydrophobicContact CE1-CB 4.48Å
19S91.8Very high88.8Confident46 Ų4674 Ų7432%0.32238%0.377SS..  trans-112.5169.1178.372.70000111.5R21 D22 I23S19-R21 PolarHBondContact O-N 3.32Å; S19-R21 PolarHBondContact OG-N 3.16Å; S19-D22 WeakPolarHBondContact CA-OD2 3.23Å; S19-D22 WeakPolarHBondContact CB-OD2 3.49Å; S19-D22 PolarHBondContact N-OD2 3.29Å; S19-D22 WeakPolarHBondContact O-CB 3.41Å; S19-D22 PolarHBondContact O-N 3.23Å; S19-D22 VanDerWaalsContact O-N 3.08Å; S19-D22 PolarHBondContact OG-N 3.07Å; S19-D22 PolarHBondContact OG-OD2 2.79Å; S19-I23 PolarHBondContact O-N 3.34Å
20A91.7Very high89.8Confident21 Ų2175.7 Ų75.717%0.17439%0.385CS..Hα-helixtrans-59.7-28.5172.600000112.8I23 V24 V42 D44 V409A20-I23 PolarHBondContact O-N 2.93Å; A20-V24 PolarHBondContact O-N 3.25Å; A20-V24 VanDerWaalsContact O-N 3.09Å; A20-V42 HydrophobicContact CB-CG1 4.14Å; A20-D44 HydrophobicContact CB-CB 3.9Å; A20-V409 HydrophobicContact CB-CG2 4.05Å
21R91.6Very high90.1Very high153 Ų15368 Ų6858%0.57735%0.352SS*.Hα-helixtrans-66.9-37.7174.7-176.2-179.7179.4155.88111.9S19 I23 V24 E25S19-R21 PolarHBondContact O-N 3.32Å; S19-R21 PolarHBondContact OG-N 3.16Å; R21-I23 VanDerWaalsContact C-N 3.25Å; R21-I23 PolarHBondContact O-N 2.94Å; R21-V24 WeakPolarHBondContact O-CB 3.35Å; R21-V24 PolarHBondContact O-N 3.19Å; R21-E25 PolarHBondContact O-N 3.44Å
22D93.2Very high89.7Confident53 Ų5368.6 Ų68.628%0.28336%0.362SS..Hα-helixtrans-66.9-32.4176.8-55.3-57.6000110.9F18 S19 E25 Q26F18-D22 HydrophobicContact CD1-CB 3.74Å; F18-D22 HydrophobicContact CE1-CB 4.48Å; S19-D22 WeakPolarHBondContact CA-OD2 3.23Å; S19-D22 WeakPolarHBondContact CB-OD2 3.49Å; S19-D22 PolarHBondContact N-OD2 3.29Å; S19-D22 WeakPolarHBondContact O-CB 3.41Å; S19-D22 PolarHBondContact O-N 3.23Å; S19-D22 VanDerWaalsContact O-N 3.08Å; S19-D22 PolarHBondContact OG-N 3.07Å; S19-D22 PolarHBondContact OG-OD2 2.79Å; D22-E25 PolarHBondContact O-N 2.91Å; D22-Q26 WeakPolarHBondContact O-CB 3.5Å; D22-Q26 PolarHBondContact O-N 2.96Å
23I93.6Very high89.1Confident23 Ų2372.2 Ų72.212%0.11837%0.374CS..Hα-helixtrans-68.6-38.3172.7-57-58.3000111.8L14 S19 A20 R21 E25 Q26 K27 V42 V409L14-I23 HydrophobicContact CD2-CD1 3.9Å; L14-I23 HydrophobicContact CD2-CG1 3.39Å; S19-I23 PolarHBondContact O-N 3.34Å; A20-I23 PolarHBondContact O-N 2.93Å; R21-I23 VanDerWaalsContact C-N 3.25Å; R21-I23 PolarHBondContact O-N 2.94Å; I23-E25 VanDerWaalsContact C-N 3.32Å; I23-E25 PolarHBondContact O-N 3.31Å; I23-Q26 PolarHBondContact O-N 2.62Å; I23-K27 HydrophobicContact CG2-CG 4.31Å; I23-K27 WeakPolarHBondContact O-CB 3.41Å; I23-K27 VanDerWaalsContact O-CG 3.3Å; I23-K27 WeakPolarHBondContact O-CG 3.45Å; I23-K27 PolarHBondContact O-N 3.07Å; I23-V42 HydrophobicContact CB-CG1 4.41Å; I23-V42 HydrophobicContact CG2-CG1 4.33Å; I23-V42 HydrophobicContact CG2-CG2 4.2Å; I23-V409 HydrophobicContact CG1-CG1 4.19Å; I23-V409 HydrophobicContact CG2-CG1 4.09Å
24V93.8Very high88.5Confident7 Ų771.9 Ų71.94%0.04238%0.378CS..Hα-helixtrans-57-48.5171.1166.50000110.3A20 R21 K27 I28 V42 T285 V287A20-V24 PolarHBondContact O-N 3.25Å; A20-V24 VanDerWaalsContact O-N 3.09Å; R21-V24 WeakPolarHBondContact O-CB 3.35Å; R21-V24 PolarHBondContact O-N 3.19Å; V24-K27 PolarHBondContact O-N 3.14Å; V24-I28 HydrophobicContact CG1-CD1 3.85Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 3.06Å; V24-V42 HydrophobicContact CB-CG2 4.49Å; V24-V42 HydrophobicContact CG2-CB 3.81Å; V24-V42 HydrophobicContact CG2-CG2 3.53Å; V24-T285 HydrophobicContact CG2-CG2 4.28Å; V24-V287 HydrophobicContact CG1-CG2 3.69Å; V24-V287 HydrophobicContact CG2-CG2 4.27Å
25E92.5Very high88.1Confident85 Ų8578.7 Ų78.740%0.39742%0.415SS..Hα-helixtrans-63-44.2178.3176.5161.3-169.500112.3R21 D22 I23 K27 I28 N29R21-E25 PolarHBondContact O-N 3.44Å; D22-E25 PolarHBondContact O-N 2.91Å; I23-E25 VanDerWaalsContact C-N 3.32Å; I23-E25 PolarHBondContact O-N 3.31Å; E25-K27 VanDerWaalsContact C-N 3.34Å; E25-K27 PolarHBondContact O-N 3.39Å; E25-I28 PolarHBondContact O-N 3.36Å; E25-N29 WeakPolarHBondContact O-CB 3.43Å; E25-N29 VanDerWaalsContact O-CG 3.24Å; E25-N29 PolarHBondContact O-N 3.14Å; E25-N29 PolarHBondContact O-ND2 3.23Å; E25-N29 VanDerWaalsContact O-ND2 3.14Å
26Q92.1Very high88.1Confident85 Ų8578.4 Ų78.440%0.39742%0.418SS..Hα-helixtrans-57.1-47.4174.8-178.2-176.2-14.500111.2D22 I23 N29 E30D22-Q26 WeakPolarHBondContact O-CB 3.5Å; D22-Q26 PolarHBondContact O-N 2.96Å; I23-Q26 PolarHBondContact O-N 2.62Å; Q26-N29 PolarHBondContact O-N 3.3Å; Q26-E30 HydrophobicContact CG-CG 4.43Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.32Å; Q26-E30 PolarHBondContact NE2-OE1 3.33Å; Q26-E30 WeakPolarHBondContact O-CG 3.36Å; Q26-E30 PolarHBondContact O-N 3.22Å
27K92.5Very high88.5Confident45 Ų4572 Ų7220%0.19639%0.385CS..Hα-helixtrans-66.3-38.3-179.3-74-74.1165.3-150.50112.9I23 V24 E25 N29 E30 S31 F40 Y407I23-K27 HydrophobicContact CG2-CG 4.31Å; I23-K27 WeakPolarHBondContact O-CB 3.41Å; I23-K27 VanDerWaalsContact O-CG 3.3Å; I23-K27 WeakPolarHBondContact O-CG 3.45Å; I23-K27 PolarHBondContact O-N 3.07Å; V24-K27 PolarHBondContact O-N 3.14Å; E25-K27 VanDerWaalsContact C-N 3.34Å; E25-K27 PolarHBondContact O-N 3.39Å; K27-N29 VanDerWaalsContact C-N 3.33Å; K27-E30 IonicContact NZ-OE2 2.97Å; K27-E30 PolarHBondContact NZ-OE2 3.45Å; K27-S31 WeakPolarHBondContact O-CB 3.28Å; K27-S31 PolarHBondContact O-N 3.4Å; K27-S31 PolarHBondContact O-OG 3.19Å; K27-F40 HydrophobicContact CB-CD2 4.42Å; K27-F40 HydrophobicContact CB-CE1 4.26Å; K27-F40 HydrophobicContact CB-CE2 3.59Å; K27-F40 HydrophobicContact CB-CZ 3.49Å; K27-F40 VanDerWaalsContact CB-CZ 3.49Å; K27-F40 HydrophobicContact CG-CE2 4.23Å; K27-Y407 HydrophobicContact CD-CD2 4.37Å; K27-Y407 HydrophobicContact CD-CE1 4.42Å; K27-Y407 HydrophobicContact CD-CE2 4.18Å
28I92.6Very high89.2Confident5 Ų574.6 Ų74.63%0.02638%0.382CS..Hα-helixtrans-60.3-45.1171.8-74.5170.8000110.5V24 E25 S31 S32 F40 V287 H342 W381V24-I28 HydrophobicContact CG1-CD1 3.85Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 3.06Å; E25-I28 PolarHBondContact O-N 3.36Å; I28-S31 PolarHBondContact O-N 2.92Å; I28-S32 PolarHBondContact O-N 3.41Å; I28-S32 VanDerWaalsContact O-N 3.1Å; I28-S32 PolarHBondContact O-OG 3.43Å; I28-F40 HydrophobicContact CG1-CE1 4.49Å; I28-F40 HydrophobicContact CG1-CZ 4.1Å; I28-V287 HydrophobicContact CD1-CG1 3.95Å; I28-V287 HydrophobicContact CG1-CG1 4.02Å; I28-H342 HydrophobicContact CD1-CB 4Å; I28-W381 HydrophobicContact CD1-CB 4.13Å; I28-W381 HydrophobicContact CD1-CG 4.27Å; I28-W381 HydrophobicContact CG1-CB 4.43Å; I28-W381 HydrophobicContact CG1-CD2 4.27Å; I28-W381 HydrophobicContact CG1-CG 4.03Å; I28-W381 HydrophobicContact CG2-CG 4.22Å
29N90.8Very high89.7Confident78 Ų7870 Ų7042%0.41736%0.364SS..Hα-helixtrans-68.9-40.9-179.3-70.8-31.5000112.4E25 Q26 K27 S32E25-N29 WeakPolarHBondContact O-CB 3.43Å; E25-N29 VanDerWaalsContact O-CG 3.24Å; E25-N29 PolarHBondContact O-N 3.14Å; E25-N29 PolarHBondContact O-ND2 3.23Å; E25-N29 VanDerWaalsContact O-ND2 3.14Å; Q26-N29 PolarHBondContact O-N 3.3Å; K27-N29 VanDerWaalsContact C-N 3.33Å; N29-S32 WeakPolarHBondContact O-CB 3.41Å; N29-S32 PolarHBondContact O-N 2.91Å
30E88.4Confident90Very high80 Ų8068.1 Ų68.137%0.37435%0.35SS..Hα-helixtrans-59.8-46173.5-75.3172.6-176.100111.3Q26 K27 S32 L33Q26-E30 HydrophobicContact CG-CG 4.43Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.32Å; Q26-E30 PolarHBondContact NE2-OE1 3.33Å; Q26-E30 WeakPolarHBondContact O-CG 3.36Å; Q26-E30 PolarHBondContact O-N 3.22Å; K27-E30 IonicContact NZ-OE2 2.97Å; K27-E30 PolarHBondContact NZ-OE2 3.45Å; E30-S32 PolarHBondContact O-N 3.41Å; E30-L33 WeakPolarHBondContact O-CB 3.32Å; E30-L33 PolarHBondContact O-N 3.04Å
31S85.4Confident90.3Very high24 Ų2467.1 Ų67.117%0.16834%0.341CS..Hα-helixtrans-70-16.3179.8-510000113K27 I28 L33 T34K27-S31 WeakPolarHBondContact O-CB 3.28Å; K27-S31 PolarHBondContact O-N 3.4Å; K27-S31 PolarHBondContact O-OG 3.19Å; I28-S31 PolarHBondContact O-N 2.92Å; S31-L33 PolarHBondContact O-N 3.03Å; S31-T34 PolarHBondContact O-N 3.4Å; S31-T34 PolarHBondContact O-OG1 3.12Å
32S79.4Confident90.6Very high56 Ų5660 Ų6039%0.39231%0.314SS..THydrogen-bonded Turntrans-71-13.3175.6-61.60000112.8I28 N29 E30I28-S32 PolarHBondContact O-N 3.41Å; I28-S32 VanDerWaalsContact O-N 3.1Å; I28-S32 PolarHBondContact O-OG 3.43Å; N29-S32 WeakPolarHBondContact O-CB 3.41Å; N29-S32 PolarHBondContact O-N 2.91Å; E30-S32 PolarHBondContact O-N 3.41Å
33L78.1Confident90.9Very high154 Ų15457.4 Ų57.481%0.80630%0.301SS*.THydrogen-bonded Turntrans-85.8-8.6177.1-57.1175.1000113E30 S31E30-L33 WeakPolarHBondContact O-CB 3.32Å; E30-L33 PolarHBondContact O-N 3.04Å; S31-L33 PolarHBondContact O-N 3.03Å
34T81.9Confident91.1Very high70 Ų7057.4 Ų57.443%0.42930%0.301SS..SBendtrans-129.9159.4-178.456.70000111.2S31 D36 R37S31-T34 PolarHBondContact O-N 3.4Å; S31-T34 PolarHBondContact O-OG1 3.12Å; T34-D36 PolarHBondContact OG1-O 3.43Å; T34-R37 PolarHBondContact O-NE 3.05Å
35D79.7Confident91.3Very high156 Ų15657.1 Ų57.183%0.83430%0.299SS*.SBendtrans-83.2-19.7171.5-68.5-29.9000111.8R37D35-R37 PolarHBondContact O-N 2.87Å
36D86.5Confident91.5Very high133 Ų13353.3 Ų53.371%0.71128%0.283SS*.  trans-73.294.5172.8-63.9-24.1000109.1T34T34-D36 PolarHBondContact OG1-O 3.43Å
37R92.6Very high91.7Very high65 Ų6550 Ų5025%0.24527%0.268CS..  trans-117.250.9-176.8-64.4-173.3-174.3-171.66.1111.4T34 D35 N289 N320 G379 W381T34-R37 PolarHBondContact O-NE 3.05Å; D35-R37 PolarHBondContact O-N 2.87Å; R37-N289 HydrophobicContact CB-CB 4.23Å; R37-N289 VanDerWaalsContact O-CB 3.3Å; R37-N289 WeakPolarHBondContact O-CB 3.27Å; R37-N320 PolarHBondContact O-ND2 3.42Å; R37-G379 PolarHBondContact NH1-O 2.98Å; R37-W381 HydrophobicContact CB-CH2 3.82Å; R37-W381 HydrophobicContact CB-CZ2 3.68Å; R37-W381 HydrophobicContact CG-CZ2 4.03Å; R37-W381 WeakPolarHBondContact O-CH2 3.44Å
38D96.6Very high92Very high124 Ų12447.9 Ų47.966%0.66326%0.259SS*.  trans-62148.4179-72.5-24.1000111.7W381D38-W381 WeakPolarHBondContact O-CH2 3.32Å
39A98.1Very high92.3Very high8 Ų848.1 Ų48.17%0.06626%0.26CS..  trans-60.2147.4173.300000110.2V287 V288 N320 D321 P404A39-V287 VanDerWaalsContact CA-O 3.24Å; A39-V287 WeakPolarHBondContact CA-O 3.47Å; A39-V287 WeakPolarHBondContact CB-O 3.45Å; A39-V288 HydrophobicContact CB-CG1 4.11Å; A39-N320 PolarHBondContact N-ND2 3.02Å; A39-N320 VanDerWaalsContact N-ND2 3.17Å; A39-D321 HydrophobicContact CB-CB 4.27Å; A39-P404 HydrophobicContact CB-CB 4.15Å; A39-P404 HydrophobicContact CB-CG 3.91Å; A39-P404 WeakPolarHBondContact O-CA 3.36Å; A39-P404 WeakPolarHBondContact O-CB 3.49Å
40F98.1Very high92.6Very high6 Ų650.3 Ų50.33%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-147.7158.9177.766.1-88.6000112.4K27 I28 V42 V287 W381 D405 Y407K27-F40 HydrophobicContact CB-CD2 4.42Å; K27-F40 HydrophobicContact CB-CE1 4.26Å; K27-F40 HydrophobicContact CB-CE2 3.59Å; K27-F40 HydrophobicContact CB-CZ 3.49Å; K27-F40 VanDerWaalsContact CB-CZ 3.49Å; K27-F40 HydrophobicContact CG-CE2 4.23Å; I28-F40 HydrophobicContact CG1-CE1 4.49Å; I28-F40 HydrophobicContact CG1-CZ 4.1Å; F40-V42 HydrophobicContact CD2-CG2 4.23Å; F40-V42 HydrophobicContact CE2-CG2 4Å; F40-V287 HydrophobicContact CD1-CB 4.24Å; F40-V287 HydrophobicContact CD2-CB 4.38Å; F40-V287 HydrophobicContact CD2-CG2 4.39Å; F40-V287 HydrophobicContact CE1-CB 3.86Å; F40-V287 HydrophobicContact CE1-CG1 3.82Å; F40-V287 HydrophobicContact CE1-CG2 4.49Å; F40-V287 HydrophobicContact CE2-CB 4.01Å; F40-V287 HydrophobicContact CE2-CG2 3.81Å; F40-V287 HydrophobicContact CG-CB 4.49Å; F40-V287 HydrophobicContact CZ-CB 3.73Å; F40-V287 HydrophobicContact CZ-CG1 3.8Å; F40-V287 HydrophobicContact CZ-CG2 3.86Å; F40-V287 PolarHBondContact N-O 2.95Å; F40-V287 PolarHBondContact O-N 2.71Å; F40-W381 HydrophobicContact CD1-CH2 4.33Å; F40-W381 HydrophobicContact CD1-CZ3 4.27Å; F40-W381 HydrophobicContact CE1-CH2 4.07Å; F40-W381 HydrophobicContact CE1-CZ3 4.03Å; F40-D405 CarbonylContact C-O 3.55Å; F40-D405 WeakPolarHBondContact CA-O 3.46Å; F40-Y407 HydrophobicContact CB-CD2 4.06Å; F40-Y407 HydrophobicContact CB-CE2 3.67Å; F40-Y407 AromaticContact CD2-CD2 3.88Å; F40-Y407 HydrophobicContact CD2-CD2 3.88Å; F40-Y407 HydrophobicContact CD2-CE2 4.05Å; F40-Y407 HydrophobicContact CG-CD2 4.26Å; F40-Y407 AromaticContact CG-CE2 4Å; F40-Y407 HydrophobicContact CG-CE2 4Å
41Y98.6Very high93.1Very high0 Ų047.1 Ų47.10%025%0.247CC..EExtended strand (participates in β ladder)trans-104.5145.1169.5-82-82.2000111.3Y284 T285 L286 S326 M387 V392 P404 D405 I406 Y407Y41-Y284 AromaticContact CD1-CD1 3.78Å; Y41-Y284 HydrophobicContact CD1-CD1 3.78Å; Y41-Y284 HydrophobicContact CD1-CG 4.38Å; Y41-Y284 HydrophobicContact CE1-CD1 4.26Å; Y41-Y284 HydrophobicContact CG-CD1 4.19Å; Y41-T285 VanDerWaalsContact CA-O 3.31Å; Y41-T285 WeakPolarHBondContact CA-O 3.4Å; Y41-T285 WeakPolarHBondContact CD1-O 3.4Å; Y41-L286 HydrophobicContact CD1-CB 3.98Å; Y41-L286 HydrophobicContact CD1-CD1 4.48Å; Y41-L286 HydrophobicContact CD2-CD1 4.03Å; Y41-L286 HydrophobicContact CE1-CB 3.51Å; Y41-L286 HydrophobicContact CE1-CD1 4.23Å; Y41-L286 HydrophobicContact CE1-CG 4.34Å; Y41-L286 HydrophobicContact CE2-CD1 3.69Å; Y41-L286 HydrophobicContact CG-CD1 4.41Å; Y41-S326 WeakPolarHBondContact OH-CB 3.35Å; Y41-S326 PolarHBondContact OH-OG 2.75Å; Y41-M387 HydrophobicContact CE1-CB 3.79Å; Y41-M387 WeakPolarHBondContact CE1-O 3.41Å; Y41-M387 PolarHBondContact OH-O 3.21Å; Y41-V392 HydrophobicContact CD2-CG1 4.09Å; Y41-V392 HydrophobicContact CE2-CG1 3.48Å; Y41-V392 VanDerWaalsContact CE2-CG1 3.48Å; Y41-P404 HydrophobicContact CD2-CB 3.9Å; Y41-P404 HydrophobicContact CD2-CG 4.48Å; Y41-P404 HydrophobicContact CE2-CB 4.18Å; Y41-P404 HydrophobicContact CE2-CG 4.27Å; Y41-D405 PolarHBondContact N-O 3.09Å; Y41-I406 HydrophobicContact CD2-CG1 4.26Å; Y41-I406 HydrophobicContact CG-CG1 4.49Å; Y41-Y407 WeakPolarHBondContact O-CD2 3.31Å; Y41-Y407 PolarHBondContact O-N 3.43Å
42V98.3Very high93.7Very high2 Ų246.6 Ų46.61%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-108.2126.9155178.10000108.1A20 I23 V24 F40 Y284 T285 Y407 V409A20-V42 HydrophobicContact CB-CG1 4.14Å; I23-V42 HydrophobicContact CB-CG1 4.41Å; I23-V42 HydrophobicContact CG2-CG1 4.33Å; I23-V42 HydrophobicContact CG2-CG2 4.2Å; V24-V42 HydrophobicContact CB-CG2 4.49Å; V24-V42 HydrophobicContact CG2-CB 3.81Å; V24-V42 HydrophobicContact CG2-CG2 3.53Å; F40-V42 HydrophobicContact CD2-CG2 4.23Å; F40-V42 HydrophobicContact CE2-CG2 4Å; V42-Y284 WeakPolarHBondContact O-CA 3.1Å; V42-T285 PolarHBondContact N-O 2.64Å; V42-T285 PolarHBondContact O-N 2.81Å; V42-Y407 WeakPolarHBondContact CA-O 3.28Å; V42-V409 HydrophobicContact CG1-CG1 4.36Å; V42-V409 HydrophobicContact CG1-CG2 3.97Å
43C98.4Very high94.5Very high0 Ų046.3 Ų46.30%024%0.236CC..EExtended strand (participates in β ladder)trans-113112.1177.81770000110.9L45 A283 Y284 I406 Y407 Y408 V409C43-L45 PolarHBondContact O-N 3.39Å; C43-A283 CarbonylContact C-O 3.48Å; C43-A283 WeakPolarHBondContact CA-O 3.44Å; C43-Y284 HydrophobicContact CB-CD1 3.97Å; C43-Y284 HydrophobicContact CB-CD2 4.41Å; C43-Y284 HydrophobicContact CB-CE1 3.73Å; C43-Y284 HydrophobicContact CB-CE2 4.2Å; C43-Y284 HydrophobicContact CB-CG 4.29Å; C43-Y284 WeakPolarHBondContact SG-CE2 3.48Å; C43-I406 HydrophobicContact CB-CG2 3.85Å; C43-Y407 PolarHBondContact N-O 3.31Å; C43-Y408 HydrophobicContact CB-CD1 3.56Å; C43-Y408 HydrophobicContact CB-CE1 3.85Å; C43-Y408 WeakPolarHBondContact O-CA 3.35Å; C43-V409 PolarHBondContact O-N 3.39Å
44D98.1Very high95.4Very high22 Ų2241.9 Ų41.912%0.11821%0.208CC..EExtended strand (participates in β ladder)trans-83.697173.2-177.312.5000110.9A20 G46 D47 R50 A283 V409A20-D44 HydrophobicContact CB-CB 3.9Å; D44-G46 PolarHBondContact O-N 3.1Å; D44-G46 VanDerWaalsContact OD1-CA 3.24Å; D44-G46 WeakPolarHBondContact OD1-CA 3.38Å; D44-G46 PolarHBondContact OD1-N 3.22Å; D44-D47 HydrophobicContact CB-CB 4.2Å; D44-D47 WeakPolarHBondContact O-CB 3.41Å; D44-D47 PolarHBondContact O-N 3.22Å; D44-D47 PolarHBondContact OD1-N 3.08Å; D44-D47 PolarHBondContact OD2-N 3.46Å; D44-R50 IonicContact OD2-NH2 2.7Å; D44-R50 PolarHBondContact OD2-NH2 3.4Å; D44-A283 PolarHBondContact N-O 3.37Å; D44-V409 HydrophobicContact CB-CG2 4.36Å
45L97.7Very high96.2Very high1 Ų138.7 Ų38.71%0.00519%0.189CC..Hα-helixtrans-66.1-18.6174.3-62.4175.2000112F9 F11 C43 D47 V48 L49 A75 V76 Y408 V409 M410F9-L45 HydrophobicContact CE2-CD1 3.87Å; F9-L45 HydrophobicContact CZ-CD1 4.27Å; F11-L45 HydrophobicContact CB-CD1 4.4Å; C43-L45 PolarHBondContact O-N 3.39Å; L45-D47 VanDerWaalsContact C-N 3.33Å; L45-V48 PolarHBondContact O-N 3.2Å; L45-L49 PolarHBondContact O-N 3.28Å; L45-A75 HydrophobicContact CD2-CB 4.43Å; L45-V76 HydrophobicContact CD2-CG2 4.32Å; L45-Y408 HydrophobicContact CD1-CD1 4.4Å; L45-Y408 HydrophobicContact CD2-CD1 4.11Å; L45-Y408 HydrophobicContact CG-CD1 4.27Å; L45-V409 PolarHBondContact N-O 3.08Å; L45-M410 HydrophobicContact CB-CB 4.36Å; L45-M410 HydrophobicContact CB-CE 3.57Å; L45-M410 WeakPolarHBondContact O-CE 3.25Å
46G96.6Very high97Very high5 Ų532.6 Ų32.65%0.05216%0.16CC..Hα-helixtrans-68.5-29.6170.400000113D44 L49 R50D44-G46 PolarHBondContact O-N 3.1Å; D44-G46 VanDerWaalsContact OD1-CA 3.24Å; D44-G46 WeakPolarHBondContact OD1-CA 3.38Å; D44-G46 PolarHBondContact OD1-N 3.22Å; G46-L49 PolarHBondContact O-N 2.86Å; G46-R50 WeakPolarHBondContact O-CG 3.46Å; G46-R50 PolarHBondContact O-N 3.09Å
47D98.1Very high97.5Very high17 Ų1733.9 Ų33.99%0.09116%0.155CC..Hα-helixtrans-64.9-42.5171.3-170.759.9000111.2D44 L45 L49 R50 K51 S282 A283D44-D47 HydrophobicContact CB-CB 4.2Å; D44-D47 WeakPolarHBondContact O-CB 3.41Å; D44-D47 PolarHBondContact O-N 3.22Å; D44-D47 PolarHBondContact OD1-N 3.08Å; D44-D47 PolarHBondContact OD2-N 3.46Å; L45-D47 VanDerWaalsContact C-N 3.33Å; D47-L49 VanDerWaalsContact C-N 3.28Å; D47-L49 PolarHBondContact O-N 3.27Å; D47-R50 WeakPolarHBondContact O-CA 3.31Å; D47-R50 WeakPolarHBondContact O-CB 3.37Å; D47-R50 PolarHBondContact O-N 3.48Å; D47-R50 IonicContact OD1-CZ 2.81Å; D47-R50 IonicContact OD1-NE 2.64Å; D47-R50 IonicContact OD1-NH2 3.95Å; D47-K51 WeakPolarHBondContact O-CG 3.25Å; D47-K51 PolarHBondContact O-N 3.37Å; D47-K51 IonicContact OD2-NZ 3.34Å; D47-K51 PolarHBondContact OD2-NZ 2.96Å; D47-S282 PolarHBondContact OD2-OG 2.88Å; D47-A283 HydrophobicContact CB-CB 3.98Å; D47-A283 PolarHBondContact OD2-N 2.87Å
48V98.4Very high97.8Very high0 Ų031.5 Ų31.50%015%0.149CC..Hα-helixtrans-57.7-42176.1-177.20000111.3L45 K51 H52 T79 L80 Y279 A283L45-V48 PolarHBondContact O-N 3.2Å; V48-K51 PolarHBondContact O-N 3.19Å; V48-H52 PolarHBondContact O-N 3.48Å; V48-T79 HydrophobicContact CG1-CG2 4.33Å; V48-L80 HydrophobicContact CG1-CD1 4.42Å; V48-L80 HydrophobicContact CG1-CD2 3.57Å; V48-L80 HydrophobicContact CG1-CG 3.84Å; V48-Y279 HydrophobicContact CG1-CD1 4.19Å; V48-A283 HydrophobicContact CG2-CB 3.99Å
49L97.6Very high97.9Very high9 Ų925.6 Ų25.65%0.04712%0.118CC..Hα-helixtrans-61.4-48.5172.2167.765000111.6L45 G46 D47 K51 H52 L53 L83 A414 Y417 V418L45-L49 PolarHBondContact O-N 3.28Å; G46-L49 PolarHBondContact O-N 2.86Å; D47-L49 VanDerWaalsContact C-N 3.28Å; D47-L49 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact C-N 3.26Å; L49-K51 PolarHBondContact O-N 2.95Å; L49-H52 WeakPolarHBondContact O-CB 3.28Å; L49-H52 PolarHBondContact O-N 2.99Å; L49-L53 HydrophobicContact CD1-CD1 4.19Å; L49-L53 HydrophobicContact CD1-CG 4.12Å; L49-L53 HydrophobicContact CG-CD1 4.33Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 3.09Å; L49-L83 HydrophobicContact CD1-CD1 4.41Å; L49-L83 HydrophobicContact CD1-CD2 3.66Å; L49-A414 HydrophobicContact CD2-CB 3.75Å; L49-Y417 HydrophobicContact CD1-CD1 3.56Å; L49-Y417 HydrophobicContact CD1-CE1 3.97Å; L49-Y417 HydrophobicContact CD2-CD1 4.1Å; L49-Y417 HydrophobicContact CD2-CG 4.34Å; L49-Y417 HydrophobicContact CG-CD1 4.44Å; L49-V418 HydrophobicContact CD2-CG2 4.37Å
50R97.6Very high97.8Very high125 Ų12529.7 Ų29.747%0.47214%0.143SC..Hα-helixtrans-58-40.6179.1-74.2-177.9-74.6166.5-2.9111.5D44 G46 D47 L53 R54D44-R50 IonicContact OD2-NH2 2.7Å; D44-R50 PolarHBondContact OD2-NH2 3.4Å; G46-R50 WeakPolarHBondContact O-CG 3.46Å; G46-R50 PolarHBondContact O-N 3.09Å; D47-R50 WeakPolarHBondContact O-CA 3.31Å; D47-R50 WeakPolarHBondContact O-CB 3.37Å; D47-R50 PolarHBondContact O-N 3.48Å; D47-R50 IonicContact OD1-CZ 2.81Å; D47-R50 IonicContact OD1-NE 2.64Å; D47-R50 IonicContact OD1-NH2 3.95Å; R50-L53 PolarHBondContact O-N 2.85Å; R50-R54 WeakPolarHBondContact O-CB 3.45Å; R50-R54 PolarHBondContact O-N 2.81Å
51K98.5Very high97.7Very high12 Ų1232.2 Ų32.25%0.05215%0.153CC..Hα-helixtrans-62.5-41.4173.3-65.4-63.9-178.155.50112.5D47 V48 L49 L53 R54 W55 G240 F278 Y279 S282D47-K51 WeakPolarHBondContact O-CG 3.25Å; D47-K51 PolarHBondContact O-N 3.37Å; D47-K51 IonicContact OD2-NZ 3.34Å; D47-K51 PolarHBondContact OD2-NZ 2.96Å; V48-K51 PolarHBondContact O-N 3.19Å; L49-K51 VanDerWaalsContact C-N 3.26Å; L49-K51 PolarHBondContact O-N 2.95Å; K51-L53 PolarHBondContact O-N 3.43Å; K51-R54 PolarHBondContact O-N 2.88Å; K51-W55 WeakPolarHBondContact O-CB 3.41Å; K51-W55 PolarHBondContact O-N 2.71Å; K51-G240 PolarHBondContact NZ-O 2.81Å; K51-F278 HydrophobicContact CB-CD1 4.41Å; K51-F278 HydrophobicContact CB-CE1 3.85Å; K51-F278 HydrophobicContact CB-CZ 4.22Å; K51-F278 HydrophobicContact CD-CE1 4.48Å; K51-F278 HydrophobicContact CD-CE2 4.3Å; K51-F278 HydrophobicContact CD-CZ 4.18Å; K51-F278 WeakPolarHBondContact CD-O 3.4Å; K51-F278 PolarHBondContact NZ-O 2.98Å; K51-F278 VanDerWaalsContact O-CE1 3.28Å; K51-F278 WeakPolarHBondContact O-CE1 3.4Å; K51-F278 WeakPolarHBondContact O-CZ 3.45Å; K51-Y279 HydrophobicContact CB-CD1 4.03Å; K51-Y279 HydrophobicContact CB-CE1 4.44Å; K51-S282 WeakPolarHBondContact CE-OG 3.05Å; K51-S282 PolarHBondContact NZ-OG 2.93Å
52H98.1Very high97.7Very high13 Ų1332.5 Ų32.56%0.0615%0.154CC..Hα-helixtrans-61.3-43.3175.9-167.860000112.5V48 L49 W55 A56 L83 Y279 L426V48-H52 PolarHBondContact O-N 3.48Å; L49-H52 WeakPolarHBondContact O-CB 3.28Å; L49-H52 PolarHBondContact O-N 2.99Å; H52-W55 WeakPolarHBondContact O-CB 3.31Å; H52-W55 PolarHBondContact O-N 3.46Å; H52-A56 PolarHBondContact O-N 3.42Å; H52-L83 HydrophobicContact CB-CD1 3.97Å; H52-L83 PolarHBondContact NE2-O 3.1Å; H52-Y279 HydrophobicContact CB-CE1 3.84Å; H52-Y279 AromaticContact ND1-CE1 3.92Å; H52-Y279 AromaticContact ND1-CZ 3.85Å; H52-Y279 PolarHBondContact ND1-OH 2.62Å; H52-L426 WeakPolarHBondContact NE2-CD1 3.06Å
53L96.9Very high97.7Very high51 Ų5135.1 Ų35.127%0.26717%0.17SC..Hα-helixtrans-66.7-40.7176.5-63.7179000112.2L49 R50 K51 W55 A56 R57 Y417L49-L53 HydrophobicContact CD1-CD1 4.19Å; L49-L53 HydrophobicContact CD1-CG 4.12Å; L49-L53 HydrophobicContact CG-CD1 4.33Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 3.09Å; R50-L53 PolarHBondContact O-N 2.85Å; K51-L53 PolarHBondContact O-N 3.43Å; L53-W55 VanDerWaalsContact C-N 3.32Å; L53-W55 PolarHBondContact O-N 2.86Å; L53-A56 PolarHBondContact O-N 3.2Å; L53-R57 PolarHBondContact O-N 2.99Å; L53-R57 VanDerWaalsContact O-N 3.12Å; L53-Y417 HydrophobicContact CD1-CE1 4.28Å; L53-Y417 HydrophobicContact CD2-CE1 3.72Å; L53-Y417 WeakPolarHBondContact CD2-OH 3.36Å; L53-Y417 HydrophobicContact CG-CE1 4.46Å
54R97.8Very high97.8Very high60 Ų6035.6 Ų35.623%0.22617%0.174CC..Hα-helixtrans-59.4-43.3173.4-171.4177.8-178.4178.8-2.9110.9R50 K51 R57 A58 D242 F248 E249 F278R50-R54 WeakPolarHBondContact O-CB 3.45Å; R50-R54 PolarHBondContact O-N 2.81Å; K51-R54 PolarHBondContact O-N 2.88Å; R54-R57 PolarHBondContact O-N 2.86Å; R54-A58 WeakPolarHBondContact O-CB 3.16Å; R54-A58 PolarHBondContact O-N 3.32Å; R54-D242 IonicContact CZ-OD1 2.61Å; R54-D242 IonicContact NH1-OD1 2.69Å; R54-D242 PolarHBondContact NH1-OD1 3.4Å; R54-D242 IonicContact NH1-OD2 3.21Å; R54-D242 IonicContact NH2-OD1 2.69Å; R54-D242 PolarHBondContact NH2-OD1 3.28Å; R54-D242 VanDerWaalsContact NH2-OD1 3.16Å; R54-F248 HydrophobicContact CG-CD1 4.07Å; R54-F248 HydrophobicContact CG-CE1 4.07Å; R54-E249 IonicContact CZ-OE1 3.17Å; R54-E249 IonicContact CZ-OE2 3.92Å; R54-E249 IonicContact NE-OE1 3.73Å; R54-E249 PolarHBondContact NE-OE1 3.37Å; R54-E249 IonicContact NE-OE2 2.85Å; R54-E249 VanDerWaalsContact NH2-CD 3.35Å; R54-E249 IonicContact NH2-OE1 3.79Å; R54-E249 PolarHBondContact NH2-OE1 3.41Å; R54-E249 IonicContact NH2-OE2 2.77Å; R54-E249 PolarHBondContact NH2-OE2 2.78Å; R54-F278 HydrophobicContact CB-CZ 4.44Å
55W98.5Very high97.8Very high3 Ų334.6 Ų34.61%0.01117%0.168CC..Hα-helixtrans-60.6-53.1174.9-177.6-78.2000112.1K51 H52 L53 R57 A58 L59 I62 P64 F238 F248 A273 P275 F278K51-W55 WeakPolarHBondContact O-CB 3.41Å; K51-W55 PolarHBondContact O-N 2.71Å; H52-W55 WeakPolarHBondContact O-CB 3.31Å; H52-W55 PolarHBondContact O-N 3.46Å; L53-W55 VanDerWaalsContact C-N 3.32Å; L53-W55 PolarHBondContact O-N 2.86Å; W55-R57 PolarHBondContact O-N 3.14Å; W55-A58 PolarHBondContact O-N 3.21Å; W55-A58 VanDerWaalsContact O-N 3.17Å; W55-L59 HydrophobicContact CD2-CD1 4.12Å; W55-L59 HydrophobicContact CE3-CD1 4.07Å; W55-L59 HydrophobicContact CH2-CD1 3.58Å; W55-L59 HydrophobicContact CZ2-CD1 3.61Å; W55-L59 HydrophobicContact CZ3-CD1 3.81Å; W55-L59 PolarHBondContact O-N 2.92Å; W55-I62 HydrophobicContact CZ2-CB 4.33Å; W55-I62 HydrophobicContact CZ2-CG2 3.87Å; W55-I62 PolarHBondContact NE1-O 3.41Å; W55-P64 HydrophobicContact CD2-CB 4.13Å; W55-P64 HydrophobicContact CG-CB 4.37Å; W55-P64 HydrophobicContact CG-CG 4.31Å; W55-P64 HydrophobicContact CZ2-CB 4.09Å; W55-F238 HydrophobicContact CH2-CD2 4.07Å; W55-F238 AromaticContact CH2-CE2 3.57Å; W55-F238 HydrophobicContact CH2-CE2 3.57Å; W55-F238 AromaticContact CH2-CZ 3.83Å; W55-F238 HydrophobicContact CH2-CZ 3.83Å; W55-F238 AromaticContact CZ3-CD2 3.78Å; W55-F238 HydrophobicContact CZ3-CD2 3.78Å; W55-F238 HydrophobicContact CZ3-CE1 4.49Å; W55-F238 AromaticContact CZ3-CE2 3.77Å; W55-F238 HydrophobicContact CZ3-CE2 3.77Å; W55-F238 HydrophobicContact CZ3-CG 4.17Å; W55-F238 HydrophobicContact CZ3-CZ 4.14Å; W55-F248 HydrophobicContact CE3-CE2 4.01Å; W55-F248 AromaticContact CE3-CZ 3.87Å; W55-F248 HydrophobicContact CE3-CZ 3.87Å; W55-F248 HydrophobicContact CZ3-CE2 4.09Å; W55-F248 HydrophobicContact CZ3-CZ 4.37Å; W55-A273 HydrophobicContact CH2-CB 3.53Å; W55-A273 HydrophobicContact CZ2-CB 3.59Å; W55-P275 HydrophobicContact CE3-CB 4.35Å; W55-P275 HydrophobicContact CE3-CG 4.24Å; W55-P275 HydrophobicContact CH2-CB 4.13Å; W55-P275 HydrophobicContact CH2-CG 3.83Å; W55-P275 HydrophobicContact CZ2-CG 4.37Å; W55-P275 HydrophobicContact CZ3-CB 3.71Å; W55-P275 HydrophobicContact CZ3-CG 3.76Å; W55-F278 HydrophobicContact CB-CE1 3.91Å; W55-F278 HydrophobicContact CB-CZ 4.22Å; W55-F278 AromaticContact CE3-CD1 3.91Å; W55-F278 HydrophobicContact CE3-CD1 3.91Å; W55-F278 AromaticContact CE3-CE1 3.78Å; W55-F278 HydrophobicContact CE3-CE1 3.78Å; W55-F278 HydrophobicContact CE3-CG 4.49Å; W55-F278 HydrophobicContact CE3-CZ 4.27Å; W55-F278 HydrophobicContact CZ3-CD1 4.49Å
56A96.7Very high97.9Very high28 Ų2834.6 Ų34.623%0.23117%0.168CC..Hα-helixtrans-58.6-32.3-177.500000112.6H52 L53 P60 L426H52-A56 PolarHBondContact O-N 3.42Å; L53-A56 PolarHBondContact O-N 3.2Å; A56-P60 WeakPolarHBondContact O-CA 3.45Å; A56-L426 HydrophobicContact CB-CD2 3.7Å
57R97.2Very high98Very high160 Ų16034.4 Ų34.460%0.60417%0.166SC*.Hα-helixtrans-74.7-48.3174.4-176.6179.7-58.6166.86113.1L53 R54 W55 F436L53-R57 PolarHBondContact O-N 2.99Å; L53-R57 VanDerWaalsContact O-N 3.12Å; R54-R57 PolarHBondContact O-N 2.86Å; W55-R57 PolarHBondContact O-N 3.14Å; R57-F436 VanDerWaalsContact NH1-CE2 3.33Å
58A97.9Very high98Very high16 Ų1633.6 Ų33.613%0.13216%0.162CC..Hα-helixtrans-78.9-30.9-171.600000113R54 W55 P60 F248 T252 N256R54-A58 WeakPolarHBondContact O-CB 3.16Å; R54-A58 PolarHBondContact O-N 3.32Å; W55-A58 PolarHBondContact O-N 3.21Å; W55-A58 VanDerWaalsContact O-N 3.17Å; A58-P60 VanDerWaalsContact C-CD 3.47Å; A58-F248 HydrophobicContact CB-CD1 4.34Å; A58-F248 HydrophobicContact CB-CE1 3.51Å; A58-F248 HydrophobicContact CB-CZ 4.06Å; A58-T252 HydrophobicContact CB-CG2 3.87Å; A58-N256 PolarHBondContact O-ND2 3.14Å
59L97.9Very high98Very high0 Ų037.4 Ų37.40%018%0.178CC..  trans-128.861.6-177.4-63.3173.5000110.9W55 R61 I62 F238 F248 T252 I255W55-L59 HydrophobicContact CD2-CD1 4.12Å; W55-L59 HydrophobicContact CE3-CD1 4.07Å; W55-L59 HydrophobicContact CH2-CD1 3.58Å; W55-L59 HydrophobicContact CZ2-CD1 3.61Å; W55-L59 HydrophobicContact CZ3-CD1 3.81Å; W55-L59 PolarHBondContact O-N 2.92Å; L59-R61 PolarHBondContact O-N 3.17Å; L59-R61 VanDerWaalsContact O-N 3.07Å; L59-I62 HydrophobicContact CB-CB 4.03Å; L59-I62 HydrophobicContact CB-CD1 4.11Å; L59-I62 HydrophobicContact CB-CG1 4.08Å; L59-I62 HydrophobicContact CD1-CD1 4.23Å; L59-I62 HydrophobicContact CD2-CD1 3.77Å; L59-I62 HydrophobicContact CG-CD1 4.25Å; L59-I62 PolarHBondContact O-N 3.2Å; L59-F238 HydrophobicContact CD1-CE1 4.28Å; L59-F238 HydrophobicContact CD1-CZ 4.44Å; L59-F248 HydrophobicContact CD1-CE2 4.16Å; L59-F248 HydrophobicContact CD1-CZ 4.05Å; L59-F248 HydrophobicContact CG-CZ 4.42Å; L59-T252 HydrophobicContact CD1-CG2 3.97Å; L59-T252 HydrophobicContact CD2-CG2 3.77Å; L59-T252 HydrophobicContact CG-CG2 3.7Å; L59-I255 HydrophobicContact CD2-CB 4.47Å; L59-I255 HydrophobicContact CD2-CG2 4.12Å
60P96.4Very high98Very high93 Ų9337 Ų3760%0.60418%0.176SC*.THydrogen-bonded Turntrans-64.7-20.1-170.327.1-36000113.8A56 A58A56-P60 WeakPolarHBondContact O-CA 3.45Å; A58-P60 VanDerWaalsContact C-CD 3.47Å
61R96.9Very high98.1Very high60 Ų6031 Ų3123%0.22615%0.154CC..THydrogen-bonded Turntrans-89.4-8178.3-62.117757.7-160.4-9.5113.5L59 D260 F263L59-R61 PolarHBondContact O-N 3.17Å; L59-R61 VanDerWaalsContact O-N 3.07Å; R61-D260 IonicContact CZ-OD1 2.62Å; R61-D260 IonicContact NH1-OD1 3.81Å; R61-D260 PolarHBondContact NH1-OD1 2.9Å; R61-F263 PolarHBondContact NH2-O 3.39Å
62I98.5Very high98.1Very high6 Ų634.3 Ų34.33%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-114.6117.9-167.5-47.8-170.7000110.5W55 L59 P64 I234 I255 L259 V271 A273W55-I62 HydrophobicContact CZ2-CB 4.33Å; W55-I62 HydrophobicContact CZ2-CG2 3.87Å; W55-I62 PolarHBondContact NE1-O 3.41Å; L59-I62 HydrophobicContact CB-CB 4.03Å; L59-I62 HydrophobicContact CB-CD1 4.11Å; L59-I62 HydrophobicContact CB-CG1 4.08Å; L59-I62 HydrophobicContact CD1-CD1 4.23Å; L59-I62 HydrophobicContact CD2-CD1 3.77Å; L59-I62 HydrophobicContact CG-CD1 4.25Å; L59-I62 PolarHBondContact O-N 3.2Å; I62-P64 WeakPolarHBondContact O-CD 3.44Å; I62-I234 HydrophobicContact CD1-CD1 3.55Å; I62-I234 HydrophobicContact CD1-CG1 4.45Å; I62-I234 HydrophobicContact CG2-CD1 4.43Å; I62-I234 HydrophobicContact CG2-CG1 4.5Å; I62-I255 HydrophobicContact CD1-CG2 3.83Å; I62-L259 HydrophobicContact CD1-CD1 3.57Å; I62-L259 HydrophobicContact CG1-CD1 3.99Å; I62-V271 WeakPolarHBondContact CA-O 3.45Å; I62-V271 HydrophobicContact CD1-CG1 4.2Å; I62-V271 HydrophobicContact CG1-CB 4.33Å; I62-V271 HydrophobicContact CG1-CG1 3.98Å; I62-V271 HydrophobicContact CG2-CG1 4.17Å; I62-A273 HydrophobicContact CG2-CB 3.7Å
63T98.7Very high98Very high56 Ų5634.4 Ų34.434%0.34417%0.174SC..EExtended strand (participates in β ladder)trans-80.3121.9175.6-52.30000110.2F65 V271 I272 A273T63-F65 HydrophobicContact CG2-CD2 4.32Å; T63-F65 HydrophobicContact CG2-CE2 3.89Å; T63-V271 PolarHBondContact N-O 3.15Å; T63-I272 VanDerWaalsContact O-CA 3.26Å; T63-I272 WeakPolarHBondContact O-CA 3.45Å; T63-I272 WeakPolarHBondContact O-CB 3.41Å; T63-A273 PolarHBondContact O-N 3.43Å; T63-A273 VanDerWaalsContact O-N 3.13Å
64P98.8Very high98Very high11 Ų1135.5 Ų35.57%0.07118%0.178CC..EExtended strand (participates in β ladder)trans-77.3129.8178.429-30.5000111.3W55 I62 T85 G86 P275 Y279W55-P64 HydrophobicContact CD2-CB 4.13Å; W55-P64 HydrophobicContact CG-CB 4.37Å; W55-P64 HydrophobicContact CG-CG 4.31Å; W55-P64 HydrophobicContact CZ2-CB 4.09Å; I62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-T85 HydrophobicContact CG-CG2 4.2Å; P64-G86 PolarHBondContact O-N 2.96Å; P64-P275 HydrophobicContact CB-CG 3.86Å; P64-Y279 HydrophobicContact CB-CE2 4.02Å; P64-Y279 WeakPolarHBondContact CB-OH 3.45Å; P64-Y279 VanDerWaalsContact CG-OH 3.26Å; P64-Y279 WeakPolarHBondContact CG-OH 3.4Å
65F98.9Very high98Very high1 Ų132.7 Ų32.70%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-108.5106.2167.2-78.7-118.8000108.7T63 A67 G86 F87 R107 I109 M130 I272 A273 E274 P275T63-F65 HydrophobicContact CG2-CD2 4.32Å; T63-F65 HydrophobicContact CG2-CE2 3.89Å; F65-A67 PolarHBondContact O-N 3.26Å; F65-G86 CarbonylContact C-O 3.47Å; F65-G86 VanDerWaalsContact CA-C 3.44Å; F65-G86 VanDerWaalsContact CA-O 3.31Å; F65-G86 WeakPolarHBondContact CA-O 3.45Å; F65-F87 VanDerWaalsContact CD1-N 3.34Å; F65-R107 VanDerWaalsContact CE1-O 3.29Å; F65-R107 WeakPolarHBondContact CE1-O 3.31Å; F65-I109 HydrophobicContact CB-CG2 4.32Å; F65-I109 HydrophobicContact CD1-CB 4.2Å; F65-I109 HydrophobicContact CD1-CG2 3.67Å; F65-I109 HydrophobicContact CE1-CB 4.41Å; F65-I109 HydrophobicContact CE1-CG2 4.36Å; F65-I109 HydrophobicContact CG-CG2 4.25Å; F65-M130 HydrophobicContact CE1-CE 4.37Å; F65-M130 HydrophobicContact CZ-CE 4.48Å; F65-I272 HydrophobicContact CD2-CB 3.92Å; F65-I272 HydrophobicContact CD2-CD1 4.17Å; F65-I272 HydrophobicContact CD2-CG2 4.11Å; F65-I272 HydrophobicContact CE2-CB 4.03Å; F65-I272 HydrophobicContact CE2-CD1 4.26Å; F65-I272 HydrophobicContact CE2-CG2 3.68Å; F65-I272 HydrophobicContact CG-CD1 4.45Å; F65-A273 WeakPolarHBondContact CA-O 3.41Å; F65-A273 WeakPolarHBondContact CB-O 3.41Å; F65-A273 PolarHBondContact N-O 3.01Å; F65-E274 CarbonylContact O-C 3.58Å; F65-E274 VanDerWaalsContact O-CA 3.24Å; F65-E274 WeakPolarHBondContact O-CA 3.48Å; F65-P275 WeakPolarHBondContact O-CD 3.47Å
66Y98.9Very high97.9Very high0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-63.6126.2-175.8175.8-112.7000111.4V68 N71 V76 L80 G86 F87 D88 P275 Y279 V280Y66-V68 HydrophobicContact CD1-CG2 4.33Å; Y66-V68 PolarHBondContact O-N 3.38Å; Y66-V68 VanDerWaalsContact O-N 3.11Å; Y66-N71 WeakPolarHBondContact OH-CB 3.49Å; Y66-N71 PolarHBondContact OH-N 3.49Å; Y66-N71 VanDerWaalsContact OH-N 3.15Å; Y66-N71 PolarHBondContact OH-O 2.92Å; Y66-V76 HydrophobicContact CE1-CG1 4.34Å; Y66-L80 HydrophobicContact CD1-CD1 3.64Å; Y66-L80 HydrophobicContact CD2-CD1 3.58Å; Y66-L80 HydrophobicContact CE1-CD1 4.05Å; Y66-L80 HydrophobicContact CE2-CD1 4.01Å; Y66-L80 HydrophobicContact CG-CD1 3.39Å; Y66-G86 PolarHBondContact N-O 2.94Å; Y66-F87 HydrophobicContact CD1-CD1 4.2Å; Y66-F87 HydrophobicContact CD1-CE1 4.24Å; Y66-F87 WeakPolarHBondContact O-CA 3.28Å; Y66-D88 PolarHBondContact O-N 3.4Å; Y66-P275 WeakPolarHBondContact CD2-O 3.32Å; Y66-Y279 AromaticContact CD2-CD2 3.99Å; Y66-Y279 HydrophobicContact CD2-CD2 3.99Å; Y66-Y279 HydrophobicContact CD2-CG 4.3Å; Y66-V280 HydrophobicContact CE2-CG1 3.98Å
67A98.8Very high98Very high2 Ų231.2 Ų31.22%0.01716%0.156CC..EExtended strand (participates in β ladder)trans-75.796.3175.900000110.5F65 K69 C70 D88 P275F65-A67 PolarHBondContact O-N 3.26Å; A67-K69 VanDerWaalsContact C-N 3.26Å; A67-K69 HydrophobicContact CB-CG 4.4Å; A67-K69 PolarHBondContact O-N 2.82Å; A67-C70 VanDerWaalsContact O-CB 3.27Å; A67-C70 WeakPolarHBondContact O-CB 3.33Å; A67-C70 PolarHBondContact O-N 3.35Å; A67-D88 HydrophobicContact CB-CB 4.45Å; A67-D88 WeakPolarHBondContact CB-OD2 3.42Å; A67-P275 PolarHBondContact N-O 3.23Å
68V98.8Very high97.9Very high0 Ų024.8 Ų24.80%013%0.133CC..G310 helixtrans-55.6-39.6-170.2178.40000112.4Y66 C70 N71 D72 V77 F87 D88 E94 L97 V98Y66-V68 HydrophobicContact CD1-CG2 4.33Å; Y66-V68 PolarHBondContact O-N 3.38Å; Y66-V68 VanDerWaalsContact O-N 3.11Å; V68-C70 PolarHBondContact O-N 3.09Å; V68-N71 CarbonylContact O-C 3.46Å; V68-N71 VanDerWaalsContact O-C 3.24Å; V68-N71 PolarHBondContact O-N 3.18Å; V68-D72 HydrophobicContact CG1-CB 4.02Å; V68-D72 PolarHBondContact O-N 3.38Å; V68-V77 HydrophobicContact CG1-CG2 4.5Å; V68-F87 HydrophobicContact CG2-CB 4.21Å; V68-F87 HydrophobicContact CG2-CD1 3.83Å; V68-F87 HydrophobicContact CG2-CG 4.47Å; V68-D88 PolarHBondContact N-O 3.46Å; V68-D88 VanDerWaalsContact N-O 3.1Å; V68-E94 HydrophobicContact CB-CB 4.37Å; V68-E94 HydrophobicContact CB-CG 4.21Å; V68-E94 HydrophobicContact CG1-CB 4.13Å; V68-E94 HydrophobicContact CG1-CG 3.83Å; V68-L97 HydrophobicContact CG1-CD2 4.19Å; V68-V98 HydrophobicContact CG2-CG2 3.86Å
69K98.2Very high97.8Very high80 Ų8024.3 Ų24.335%0.34813%0.129SC..G310 helixtrans-51.1-20.2175.261.8179.6175.9-79.40115.8A67 D88A67-K69 VanDerWaalsContact C-N 3.26Å; A67-K69 HydrophobicContact CB-CG 4.4Å; A67-K69 PolarHBondContact O-N 2.82Å; K69-D88 IonicContact NZ-OD1 3.22Å; K69-D88 IonicContact NZ-OD2 3.49Å; K69-D88 PolarHBondContact NZ-OD2 2.88Å
70C98.4Very high97.8Very high0 Ų024.3 Ų24.30%013%0.129CC..G310 helixtrans-72.9-42.5-179.2-174.70000112.1A67 V68 G276 R277 A389 Y390A67-C70 VanDerWaalsContact O-CB 3.27Å; A67-C70 WeakPolarHBondContact O-CB 3.33Å; A67-C70 PolarHBondContact O-N 3.35Å; V68-C70 PolarHBondContact O-N 3.09Å; C70-G276 VanDerWaalsContact SG-C 3.5Å; C70-R277 PolarHBondContact SG-N 3.31Å; C70-A389 VanDerWaalsContact SG-CB 3.57Å; C70-Y390 HydrophobicContact CB-CE1 3.98Å; C70-Y390 PolarHBondContact O-N 3.46Å
71N98.7Very high97.9Very high0 Ų020.6 Ų20.60%011%0.105CC..  trans-159.8106.2172.2-170.5-37.6000108.6Y66 V68 S73 V280 Y284 G388Y66-N71 WeakPolarHBondContact OH-CB 3.49Å; Y66-N71 PolarHBondContact OH-N 3.49Å; Y66-N71 VanDerWaalsContact OH-N 3.15Å; Y66-N71 PolarHBondContact OH-O 2.92Å; V68-N71 CarbonylContact O-C 3.46Å; V68-N71 VanDerWaalsContact O-C 3.24Å; V68-N71 PolarHBondContact O-N 3.18Å; N71-S73 VanDerWaalsContact C-N 3.27Å; N71-S73 PolarHBondContact O-N 3.34Å; N71-S73 WeakPolarHBondContact OD1-CB 3.31Å; N71-S73 PolarHBondContact OD1-N 2.96Å; N71-S73 VanDerWaalsContact OD1-N 3.07Å; N71-S73 PolarHBondContact OD1-OG 3.21Å; N71-V280 HydrophobicContact CB-CB 4.48Å; N71-V280 HydrophobicContact CB-CG2 4.09Å; N71-Y284 WeakPolarHBondContact ND2-CE2 3.45Å; N71-Y284 VanDerWaalsContact ND2-CZ 3.29Å; N71-Y284 PolarHBondContact ND2-OH 3.17Å; N71-G388 WeakPolarHBondContact CB-O 3.47Å; N71-G388 PolarHBondContact ND2-O 3.22Å
72D98.3Very high97.8Very high80 Ų8019 Ų1943%0.42810%0.104SC..  trans-9014.9-175.663.3-26.2000113.1V68 Q74 L97V68-D72 HydrophobicContact CG1-CB 4.02Å; V68-D72 PolarHBondContact O-N 3.38Å; D72-Q74 PolarHBondContact O-N 3.41Å; D72-L97 HydrophobicContact CB-CD2 4.23Å; D72-L97 WeakPolarHBondContact O-CD2 3.47Å
73S97.9Very high97.7Very high15 Ų1519 Ų1911%0.10510%0.103CC..  trans-54.3121.9172.8-67.50000110.7N71 A75 V76 V77 Y284 Y408N71-S73 VanDerWaalsContact C-N 3.27Å; N71-S73 PolarHBondContact O-N 3.34Å; N71-S73 WeakPolarHBondContact OD1-CB 3.31Å; N71-S73 PolarHBondContact OD1-N 2.96Å; N71-S73 VanDerWaalsContact OD1-N 3.07Å; N71-S73 PolarHBondContact OD1-OG 3.21Å; S73-A75 PolarHBondContact O-N 3.11Å; S73-A75 VanDerWaalsContact O-N 3.1Å; S73-V76 WeakPolarHBondContact O-CB 2.99Å; S73-V76 PolarHBondContact O-N 2.97Å; S73-V77 PolarHBondContact O-N 2.61Å; S73-V77 VanDerWaalsContact O-N 3.15Å; S73-Y284 PolarHBondContact OG-OH 3.12Å; S73-Y408 WeakPolarHBondContact CB-OH 3.5Å; S73-Y408 PolarHBondContact OG-OH 3.31Å
74Q96.5Very high97.5Very high74 Ų7418.3 Ų18.335%0.34611%0.108SC..Hα-helixtrans-55.8-34.8-175.6-171.1-178-37.100112.9D72 V77 M78 L97 L101D72-Q74 PolarHBondContact O-N 3.41Å; Q74-V77 PolarHBondContact O-N 3.08Å; Q74-M78 VanDerWaalsContact O-CB 3.22Å; Q74-M78 WeakPolarHBondContact O-CB 3.34Å; Q74-M78 PolarHBondContact O-N 3.31Å; Q74-L97 HydrophobicContact CB-CD1 4.49Å; Q74-L97 HydrophobicContact CG-CD1 4.27Å; Q74-L101 HydrophobicContact CG-CD1 4.49Å; Q74-L101 HydrophobicContact CG-CD2 4.04Å
75A96.2Very high97.5Very high2 Ų217.8 Ų17.82%0.01711%0.105CC..Hα-helixtrans-59.7-45.8176.100000112.3F9 L45 S73 M78 T79 Y408F9-A75 HydrophobicContact CD1-CB 4.48Å; F9-A75 HydrophobicContact CD2-CB 3.58Å; F9-A75 HydrophobicContact CE1-CB 4.42Å; F9-A75 HydrophobicContact CE2-CB 3.52Å; F9-A75 HydrophobicContact CG-CB 4.08Å; F9-A75 HydrophobicContact CZ-CB 3.96Å; L45-A75 HydrophobicContact CD2-CB 4.43Å; S73-A75 PolarHBondContact O-N 3.11Å; S73-A75 VanDerWaalsContact O-N 3.1Å; A75-M78 PolarHBondContact O-N 2.87Å; A75-T79 WeakPolarHBondContact O-CB 3.48Å; A75-T79 PolarHBondContact O-N 2.86Å; A75-T79 PolarHBondContact O-OG1 3.03Å; A75-T79 VanDerWaalsContact O-OG1 3.06Å; A75-Y408 HydrophobicContact CB-CD1 3.72Å; A75-Y408 HydrophobicContact CB-CD2 4.06Å; A75-Y408 HydrophobicContact CB-CE1 3.55Å; A75-Y408 HydrophobicContact CB-CE2 3.88Å; A75-Y408 HydrophobicContact CB-CG 3.99Å
76V97.2Very high97.5Very high0 Ų017.8 Ų17.80%011%0.105CC..Hα-helixtrans-64.8-49.3177.9170.90000110.8L45 Y66 S73 M78 T79 L80 V280 Y284L45-V76 HydrophobicContact CD2-CG2 4.32Å; Y66-V76 HydrophobicContact CE1-CG1 4.34Å; S73-V76 WeakPolarHBondContact O-CB 2.99Å; S73-V76 PolarHBondContact O-N 2.97Å; V76-M78 VanDerWaalsContact C-N 3.27Å; V76-M78 PolarHBondContact O-N 3.19Å; V76-T79 PolarHBondContact O-N 3.01Å; V76-L80 HydrophobicContact CG1-CD1 3.79Å; V76-L80 WeakPolarHBondContact O-CB 3.48Å; V76-L80 WeakPolarHBondContact O-CG 3.24Å; V76-L80 PolarHBondContact O-N 3.28Å; V76-V280 HydrophobicContact CG1-CG1 3.61Å; V76-Y284 HydrophobicContact CG2-CE2 4.07Å; V76-Y284 WeakPolarHBondContact CG2-OH 3.35Å
77V98.2Very high97.5Very high0 Ų017.8 Ų17.80%011%0.105CC..Hα-helixtrans-60.9-40.5-179.7-176.70000110.3V68 S73 Q74 L80 A81 F87 L97 V98 L101V68-V77 HydrophobicContact CG1-CG2 4.5Å; S73-V77 PolarHBondContact O-N 2.61Å; S73-V77 VanDerWaalsContact O-N 3.15Å; Q74-V77 PolarHBondContact O-N 3.08Å; V77-L80 PolarHBondContact O-N 3.06Å; V77-A81 VanDerWaalsContact O-CB 3.26Å; V77-A81 WeakPolarHBondContact O-CB 3.15Å; V77-A81 PolarHBondContact O-N 2.85Å; V77-F87 HydrophobicContact CB-CE1 4.45Å; V77-F87 HydrophobicContact CG1-CD1 4.21Å; V77-F87 HydrophobicContact CG1-CE1 3.58Å; V77-F87 HydrophobicContact CG1-CZ 4.02Å; V77-F87 WeakPolarHBondContact O-CZ 3.49Å; V77-L97 HydrophobicContact CG2-CD2 4.05Å; V77-V98 HydrophobicContact CG1-CG2 4.08Å; V77-L101 HydrophobicContact CB-CD1 3.88Å; V77-L101 HydrophobicContact CG1-CD1 3.51Å
78M96Very high97.5Very high24 Ų2417.7 Ų17.712%0.11810%0.104CC..Hα-helixtrans-67.3-44.2177-175.1162.5164.700112.3L6 F9 Q74 A75 V76 L80 A81 S82 L101L6-M78 HydrophobicContact CD2-CE 3.66Å; L6-M78 HydrophobicContact CG-CE 4.15Å; F9-M78 HydrophobicContact CD1-CB 4.45Å; F9-M78 HydrophobicContact CD1-CG 4.49Å; F9-M78 HydrophobicContact CD1-SD 3.67Å; F9-M78 HydrophobicContact CE1-CB 3.81Å; F9-M78 HydrophobicContact CE1-CE 4.17Å; F9-M78 HydrophobicContact CE1-CG 3.79Å; F9-M78 HydrophobicContact CE1-SD 3.44Å; F9-M78 WeakPolarHBondContact CE1-SD 3.29Å; Q74-M78 VanDerWaalsContact O-CB 3.22Å; Q74-M78 WeakPolarHBondContact O-CB 3.34Å; Q74-M78 PolarHBondContact O-N 3.31Å; A75-M78 PolarHBondContact O-N 2.87Å; V76-M78 VanDerWaalsContact C-N 3.27Å; V76-M78 PolarHBondContact O-N 3.19Å; M78-L80 VanDerWaalsContact C-N 3.35Å; M78-L80 PolarHBondContact O-N 2.94Å; M78-A81 WeakPolarHBondContact O-CB 3.39Å; M78-A81 PolarHBondContact O-N 2.89Å; M78-S82 PolarHBondContact O-N 3.13Å; M78-S82 PolarHBondContact O-OG 2.91Å; M78-L101 HydrophobicContact CB-CD1 4.18Å; M78-L101 HydrophobicContact CB-CD2 4.27Å; M78-L101 HydrophobicContact CG-CD2 4.48Å; M78-L101 HydrophobicContact SD-CD2 4.26Å
79T96.4Very high97.5Very high7 Ų717.7 Ų17.74%0.04310%0.104CC..Hα-helixtrans-58.2-47174.7-65.10000111.2V48 A75 V76 A81 S82 L83 M410V48-T79 HydrophobicContact CG1-CG2 4.33Å; A75-T79 WeakPolarHBondContact O-CB 3.48Å; A75-T79 PolarHBondContact O-N 2.86Å; A75-T79 PolarHBondContact O-OG1 3.03Å; A75-T79 VanDerWaalsContact O-OG1 3.06Å; V76-T79 PolarHBondContact O-N 3.01Å; T79-A81 VanDerWaalsContact C-N 3.33Å; T79-A81 PolarHBondContact O-N 2.84Å; T79-S82 WeakPolarHBondContact O-CB 3.34Å; T79-S82 PolarHBondContact O-N 3.29Å; T79-L83 HydrophobicContact CG2-CD1 4.17Å; T79-L83 WeakPolarHBondContact O-CG 3.17Å; T79-L83 PolarHBondContact O-N 3.44Å; T79-M410 HydrophobicContact CG2-CE 4.3Å
80L98.1Very high97.5Very high0 Ų015 Ų150%010%0.096CC..Hα-helixtrans-67.3-32.8178.3-72.1170.9000112.7V48 Y66 V76 V77 M78 L83 G84 T85 F87 Y279V48-L80 HydrophobicContact CG1-CD1 4.42Å; V48-L80 HydrophobicContact CG1-CD2 3.57Å; V48-L80 HydrophobicContact CG1-CG 3.84Å; Y66-L80 HydrophobicContact CD1-CD1 3.64Å; Y66-L80 HydrophobicContact CD2-CD1 3.58Å; Y66-L80 HydrophobicContact CE1-CD1 4.05Å; Y66-L80 HydrophobicContact CE2-CD1 4.01Å; Y66-L80 HydrophobicContact CG-CD1 3.39Å; V76-L80 HydrophobicContact CG1-CD1 3.79Å; V76-L80 WeakPolarHBondContact O-CB 3.48Å; V76-L80 WeakPolarHBondContact O-CG 3.24Å; V76-L80 PolarHBondContact O-N 3.28Å; V77-L80 PolarHBondContact O-N 3.06Å; M78-L80 VanDerWaalsContact C-N 3.35Å; M78-L80 PolarHBondContact O-N 2.94Å; L80-L83 PolarHBondContact O-N 3.26Å; L80-G84 PolarHBondContact O-N 2.99Å; L80-T85 VanDerWaalsContact C-OG1 3.29Å; L80-T85 HydrophobicContact CB-CG2 4.44Å; L80-T85 WeakPolarHBondContact CB-OG1 3.45Å; L80-T85 HydrophobicContact CD2-CG2 4Å; L80-T85 PolarHBondContact O-N 3.36Å; L80-T85 PolarHBondContact O-OG1 2.85Å; L80-F87 HydrophobicContact CB-CE1 4.24Å; L80-F87 HydrophobicContact CB-CZ 4.22Å; L80-Y279 HydrophobicContact CD2-CD1 3.51Å; L80-Y279 HydrophobicContact CD2-CE1 3.58Å; L80-Y279 HydrophobicContact CD2-CG 4.06Å
81A96.8Very high97.5Very high14 Ų1416.4 Ų16.412%0.11611%0.106CC..Hα-helixtrans-64.5-44.5174.100000111V77 M78 T79 L83 G84 F87 V103 R107V77-A81 VanDerWaalsContact O-CB 3.26Å; V77-A81 WeakPolarHBondContact O-CB 3.15Å; V77-A81 PolarHBondContact O-N 2.85Å; M78-A81 WeakPolarHBondContact O-CB 3.39Å; M78-A81 PolarHBondContact O-N 2.89Å; T79-A81 VanDerWaalsContact C-N 3.33Å; T79-A81 PolarHBondContact O-N 2.84Å; A81-L83 VanDerWaalsContact C-N 3.27Å; A81-L83 PolarHBondContact O-N 2.87Å; A81-G84 PolarHBondContact O-N 2.92Å; A81-G84 VanDerWaalsContact O-N 3.1Å; A81-F87 HydrophobicContact CB-CE2 4.07Å; A81-F87 HydrophobicContact CB-CZ 3.84Å; A81-V103 HydrophobicContact CB-CG2 3.65Å; A81-R107 PolarHBondContact O-NH2 2.76Å
82S95.3Very high97.5Very high27 Ų2720.3 Ų20.319%0.18912%0.123CC..Hα-helixtrans-63.7-29.7175.2-64.10000113.2M78 T79 G84M78-S82 PolarHBondContact O-N 3.13Å; M78-S82 PolarHBondContact O-OG 2.91Å; T79-S82 WeakPolarHBondContact O-CB 3.34Å; T79-S82 PolarHBondContact O-N 3.29Å; S82-G84 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 3.39Å
83L95.7Very high97.5Very high5 Ų521.2 Ų21.23%0.02613%0.132CC..THydrogen-bonded Turntrans-79.6-4.9174.5-68.6171.4000114L49 H52 T79 L80 A81 V418 V421L49-L83 HydrophobicContact CD1-CD1 4.41Å; L49-L83 HydrophobicContact CD1-CD2 3.66Å; H52-L83 HydrophobicContact CB-CD1 3.97Å; H52-L83 PolarHBondContact NE2-O 3.1Å; T79-L83 HydrophobicContact CG2-CD1 4.17Å; T79-L83 WeakPolarHBondContact O-CG 3.17Å; T79-L83 PolarHBondContact O-N 3.44Å; L80-L83 PolarHBondContact O-N 3.26Å; A81-L83 VanDerWaalsContact C-N 3.27Å; A81-L83 PolarHBondContact O-N 2.87Å; L83-V418 HydrophobicContact CD2-CG2 4.1Å; L83-V421 HydrophobicContact CD2-CB 4.32Å; L83-V421 HydrophobicContact CD2-CG1 4.21Å; L83-V421 HydrophobicContact CD2-CG2 4.38Å
84G95.7Very high97.6Very high42 Ų4221.9 Ų21.943%0.43313%0.133SC..THydrogen-bonded Turntrans87.37.7175.300000115.6L80 A81 S82 R107L80-G84 PolarHBondContact O-N 2.99Å; A81-G84 PolarHBondContact O-N 2.92Å; A81-G84 VanDerWaalsContact O-N 3.1Å; S82-G84 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 3.39Å; G84-R107 VanDerWaalsContact CA-NH2 3.32Å
85T97.8Very high97.7Very high1 Ų118.4 Ų18.41%0.00612%0.117CC..  trans-62.9153.217862.90000113.3P64 L80 R107P64-T85 HydrophobicContact CG-CG2 4.2Å; L80-T85 VanDerWaalsContact C-OG1 3.29Å; L80-T85 HydrophobicContact CB-CG2 4.44Å; L80-T85 WeakPolarHBondContact CB-OG1 3.45Å; L80-T85 HydrophobicContact CD2-CG2 4Å; L80-T85 PolarHBondContact O-N 3.36Å; L80-T85 PolarHBondContact O-OG1 2.85Å; T85-R107 PolarHBondContact O-NE 3.1Å; T85-R107 PolarHBondContact O-NH2 2.96Å
86G98.7Very high97.8Very high1 Ų121.9 Ų21.91%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-75.7179.8162.300000111.6P64 F65 Y66 R107P64-G86 PolarHBondContact O-N 2.96Å; F65-G86 CarbonylContact C-O 3.47Å; F65-G86 VanDerWaalsContact CA-C 3.44Å; F65-G86 VanDerWaalsContact CA-O 3.31Å; F65-G86 WeakPolarHBondContact CA-O 3.45Å; Y66-G86 PolarHBondContact N-O 2.94Å; G86-R107 CarbonylContact C-O 3.52Å; G86-R107 WeakPolarHBondContact CA-O 3.17Å
87F98.9Very high97.9Very high0 Ų023.5 Ų23.50%014%0.141CC..EExtended strand (participates in β ladder)trans-136123.5175.1-65.1-85.9000111.2F65 Y66 V68 V77 L80 A81 V98 V103 R107 I108 I109F65-F87 VanDerWaalsContact CD1-N 3.34Å; Y66-F87 HydrophobicContact CD1-CD1 4.2Å; Y66-F87 HydrophobicContact CD1-CE1 4.24Å; Y66-F87 WeakPolarHBondContact O-CA 3.28Å; V68-F87 HydrophobicContact CG2-CB 4.21Å; V68-F87 HydrophobicContact CG2-CD1 3.83Å; V68-F87 HydrophobicContact CG2-CG 4.47Å; V77-F87 HydrophobicContact CB-CE1 4.45Å; V77-F87 HydrophobicContact CG1-CD1 4.21Å; V77-F87 HydrophobicContact CG1-CE1 3.58Å; V77-F87 HydrophobicContact CG1-CZ 4.02Å; V77-F87 WeakPolarHBondContact O-CZ 3.49Å; L80-F87 HydrophobicContact CB-CE1 4.24Å; L80-F87 HydrophobicContact CB-CZ 4.22Å; A81-F87 HydrophobicContact CB-CE2 4.07Å; A81-F87 HydrophobicContact CB-CZ 3.84Å; F87-V98 HydrophobicContact CB-CG1 3.98Å; F87-V98 HydrophobicContact CB-CG2 3.9Å; F87-V98 HydrophobicContact CD1-CG2 3.89Å; F87-V98 HydrophobicContact CD2-CG1 3.53Å; F87-V98 HydrophobicContact CD2-CG2 4.35Å; F87-V98 HydrophobicContact CE2-CG1 4.14Å; F87-V98 HydrophobicContact CG-CB 4.45Å; F87-V98 HydrophobicContact CG-CG1 3.74Å; F87-V98 HydrophobicContact CG-CG2 3.77Å; F87-V103 HydrophobicContact CD2-CG1 3.89Å; F87-V103 HydrophobicContact CD2-CG2 4.33Å; F87-V103 HydrophobicContact CE2-CB 4.48Å; F87-V103 HydrophobicContact CE2-CG1 4.01Å; F87-V103 HydrophobicContact CE2-CG2 3.74Å; F87-R107 PolarHBondContact N-O 2.98Å; F87-I108 WeakPolarHBondContact O-CA 3.42Å; F87-I109 PolarHBondContact O-N 3.15Å
88D98.9Very high97.9Very high0 Ų023.5 Ų23.50%014%0.141CC..EExtended strand (participates in β ladder)trans-82.2112.9163.2155.530000107.8Y66 A67 V68 K69 I109 A111 E274Y66-D88 PolarHBondContact O-N 3.4Å; A67-D88 HydrophobicContact CB-CB 4.45Å; A67-D88 WeakPolarHBondContact CB-OD2 3.42Å; V68-D88 PolarHBondContact N-O 3.46Å; V68-D88 VanDerWaalsContact N-O 3.1Å; K69-D88 IonicContact NZ-OD1 3.22Å; K69-D88 IonicContact NZ-OD2 3.49Å; K69-D88 PolarHBondContact NZ-OD2 2.88Å; D88-I109 HydrophobicContact CB-CG2 4Å; D88-A111 WeakPolarHBondContact OD1-CB 3.22Å; D88-E274 HydrophobicContact CB-CB 4.3Å; D88-E274 HydrophobicContact CB-CG 4.11Å
89C98.9Very high98Very high0 Ų024.3 Ų24.30%015%0.145CC..  trans-108.8137.4175.3-65.40000110.4E94 I95 I108 I109 Y110 A111C89-E94 VanDerWaalsContact CA-OE2 3.31Å; C89-E94 WeakPolarHBondContact CA-OE2 3.26Å; C89-E94 HydrophobicContact CB-CB 3.94Å; C89-I95 HydrophobicContact CB-CG1 3.72Å; C89-I108 HydrophobicContact CB-CG2 4.16Å; C89-I109 PolarHBondContact N-O 3.33Å; C89-Y110 CarbonylContact O-C 3.57Å; C89-Y110 WeakPolarHBondContact O-CA 3.4Å; C89-Y110 WeakPolarHBondContact O-CD2 3.38Å; C89-A111 PolarHBondContact O-N 3.26Å; C89-A111 VanDerWaalsContact O-N 3.16Å
90A98.6Very high98Very high23 Ų2327.9 Ų27.919%0.1917%0.17CC..  trans-106.3-7.4179.500000114E94 Y110 N112A90-E94 PolarHBondContact N-OE2 2.93Å; A90-Y110 VanDerWaalsContact C-CE2 3.42Å; A90-Y110 WeakPolarHBondContact O-CE2 3.24Å; A90-N112 HydrophobicContact CB-CB 4.43Å; A90-N112 PolarHBondContact O-ND2 3.36Å; A90-N112 VanDerWaalsContact O-ND2 3.08Å
91S98.8Very high97.9Very high29 Ų2930 Ų3020%0.20318%0.181CC..SBendtrans-151.3164.8-176.574.60000113.6T93 E94 I95S91-T93 PolarHBondContact O-N 3.2Å; S91-T93 PolarHBondContact OG-N 2.92Å; S91-E94 PolarHBondContact O-N 3.35Å; S91-E94 PolarHBondContact OG-N 3.33Å; S91-I95 WeakPolarHBondContact O-CG1 3.45Å; S91-I95 PolarHBondContact O-N 3.11Å; S91-I95 VanDerWaalsContact O-N 3.11Å
92K98.8Very high97.9Very high82 Ų8232.5 Ų32.536%0.35721%0.208SC..Hα-helixtrans-51-43169.7169.6178.9172.3-174.30112.5I95 Q96 Q119 Y122K92-I95 PolarHBondContact O-N 3.47Å; K92-Q96 HydrophobicContact CG-CG 4.44Å; K92-Q96 WeakPolarHBondContact O-CB 3.42Å; K92-Q96 VanDerWaalsContact O-CG 3.31Å; K92-Q96 WeakPolarHBondContact O-CG 3.28Å; K92-Q96 PolarHBondContact O-N 3.04Å; K92-Q119 HydrophobicContact CB-CG 4.04Å; K92-Y122 HydrophobicContact CB-CD1 4.27Å; K92-Y122 HydrophobicContact CB-CG 4.47Å; K92-Y122 HydrophobicContact CD-CD1 4.39Å; K92-Y122 HydrophobicContact CD-CD2 3.78Å; K92-Y122 HydrophobicContact CD-CE2 4.15Å; K92-Y122 HydrophobicContact CD-CG 3.92Å; K92-Y122 HydrophobicContact CG-CD1 3.77Å; K92-Y122 HydrophobicContact CG-CD2 3.99Å; K92-Y122 HydrophobicContact CG-CE1 3.96Å; K92-Y122 HydrophobicContact CG-CE2 4.14Å; K92-Y122 HydrophobicContact CG-CG 3.81Å
93T98.8Very high98Very high100 Ų10031.6 Ų31.661%0.61320%0.202SC*.Hα-helixtrans-68.4-37.1-175.3-52.20000111.6S91 Q96 L97S91-T93 PolarHBondContact O-N 3.2Å; S91-T93 PolarHBondContact OG-N 2.92Å; T93-Q96 WeakPolarHBondContact O-CB 3.46Å; T93-Q96 PolarHBondContact O-N 3.5Å; T93-L97 PolarHBondContact O-N 2.56Å
94E98.9Very high98.1Very high29 Ų2935.7 Ų35.714%0.13622%0.224CC..Hα-helixtrans-68.3-42.5174.7-68.4174.4-155.300111.5V68 C89 A90 S91 Q96 L97 V98V68-E94 HydrophobicContact CB-CB 4.37Å; V68-E94 HydrophobicContact CB-CG 4.21Å; V68-E94 HydrophobicContact CG1-CB 4.13Å; V68-E94 HydrophobicContact CG1-CG 3.83Å; C89-E94 VanDerWaalsContact CA-OE2 3.31Å; C89-E94 WeakPolarHBondContact CA-OE2 3.26Å; C89-E94 HydrophobicContact CB-CB 3.94Å; A90-E94 PolarHBondContact N-OE2 2.93Å; S91-E94 PolarHBondContact O-N 3.35Å; S91-E94 PolarHBondContact OG-N 3.33Å; E94-Q96 VanDerWaalsContact C-N 3.26Å; E94-Q96 PolarHBondContact O-N 2.85Å; E94-L97 WeakPolarHBondContact O-CB 3.44Å; E94-L97 PolarHBondContact O-N 3.35Å; E94-V98 WeakPolarHBondContact O-CG2 3.46Å; E94-V98 PolarHBondContact O-N 2.97Å
95I98.9Very high98.2Very high0 Ų035.2 Ų35.20%021%0.213CC..Hα-helixtrans-57.8-43.5172.8-65.1169.4000110.2C89 S91 K92 V98 Q99 I108 Y110 Y122 A123 V128C89-I95 HydrophobicContact CB-CG1 3.72Å; S91-I95 WeakPolarHBondContact O-CG1 3.45Å; S91-I95 PolarHBondContact O-N 3.11Å; S91-I95 VanDerWaalsContact O-N 3.11Å; K92-I95 PolarHBondContact O-N 3.47Å; I95-V98 PolarHBondContact O-N 3.48Å; I95-Q99 HydrophobicContact CG2-CG 4.24Å; I95-Q99 VanDerWaalsContact O-CB 3.32Å; I95-Q99 WeakPolarHBondContact O-CB 3.34Å; I95-Q99 VanDerWaalsContact O-CG 3.31Å; I95-Q99 WeakPolarHBondContact O-CG 3.32Å; I95-Q99 PolarHBondContact O-N 3.3Å; I95-I108 HydrophobicContact CG1-CG2 4.47Å; I95-I108 HydrophobicContact CG2-CD1 4.49Å; I95-Y110 HydrophobicContact CD1-CD1 3.84Å; I95-Y110 HydrophobicContact CD1-CE1 4.03Å; I95-Y110 HydrophobicContact CD1-CG 4.15Å; I95-Y122 HydrophobicContact CB-CE1 4.33Å; I95-Y122 HydrophobicContact CG2-CE1 3.91Å; I95-A123 HydrophobicContact CD1-CB 4.31Å; I95-V128 HydrophobicContact CG2-CG2 3.85Å
96Q98.7Very high98.2Very high76 Ų7638.6 Ų38.636%0.35524%0.236SC..Hα-helixtrans-60.5-47176.4-78.9177.7-41.400112.3K92 T93 E94 S100 Y122K92-Q96 HydrophobicContact CG-CG 4.44Å; K92-Q96 WeakPolarHBondContact O-CB 3.42Å; K92-Q96 VanDerWaalsContact O-CG 3.31Å; K92-Q96 WeakPolarHBondContact O-CG 3.28Å; K92-Q96 PolarHBondContact O-N 3.04Å; T93-Q96 WeakPolarHBondContact O-CB 3.46Å; T93-Q96 PolarHBondContact O-N 3.5Å; E94-Q96 VanDerWaalsContact C-N 3.26Å; E94-Q96 PolarHBondContact O-N 2.85Å; Q96-S100 WeakPolarHBondContact O-CB 3.4Å; Q96-S100 PolarHBondContact O-N 2.98Å; Q96-S100 PolarHBondContact O-OG 2.71Å; Q96-Y122 HydrophobicContact CG-CE1 4.11Å; Q96-Y122 HydrophobicContact CG-CE2 4.44Å; Q96-Y122 WeakPolarHBondContact CG-OH 3.42Å; Q96-Y122 PolarHBondContact NE2-OH 3.05Å
97L98.4Very high98.2Very high33 Ų3341.7 Ų41.717%0.17325%0.248CC..Hα-helixtrans-57.1-54.1177.6173.860.5000110.7V68 D72 Q74 V77 T93 E94 Q99 S100 L101V68-L97 HydrophobicContact CG1-CD2 4.19Å; D72-L97 HydrophobicContact CB-CD2 4.23Å; D72-L97 WeakPolarHBondContact O-CD2 3.47Å; Q74-L97 HydrophobicContact CB-CD1 4.49Å; Q74-L97 HydrophobicContact CG-CD1 4.27Å; V77-L97 HydrophobicContact CG2-CD2 4.05Å; T93-L97 PolarHBondContact O-N 2.56Å; E94-L97 WeakPolarHBondContact O-CB 3.44Å; E94-L97 PolarHBondContact O-N 3.35Å; L97-Q99 PolarHBondContact O-N 3.11Å; L97-S100 PolarHBondContact O-N 3.29Å; L97-S100 PolarHBondContact O-OG 3.16Å; L97-L101 PolarHBondContact O-N 3.18Å
98V98.6Very high98.2Very high0 Ų041.7 Ų41.70%025%0.248CC..Hα-helixtrans-62.1-46.5-177.5172.70000111.5V68 V77 F87 E94 I95 S100 L101 V103 I108V68-V98 HydrophobicContact CG2-CG2 3.86Å; V77-V98 HydrophobicContact CG1-CG2 4.08Å; F87-V98 HydrophobicContact CB-CG1 3.98Å; F87-V98 HydrophobicContact CB-CG2 3.9Å; F87-V98 HydrophobicContact CD1-CG2 3.89Å; F87-V98 HydrophobicContact CD2-CG1 3.53Å; F87-V98 HydrophobicContact CD2-CG2 4.35Å; F87-V98 HydrophobicContact CE2-CG1 4.14Å; F87-V98 HydrophobicContact CG-CB 4.45Å; F87-V98 HydrophobicContact CG-CG1 3.74Å; F87-V98 HydrophobicContact CG-CG2 3.77Å; E94-V98 WeakPolarHBondContact O-CG2 3.46Å; E94-V98 PolarHBondContact O-N 2.97Å; I95-V98 PolarHBondContact O-N 3.48Å; V98-S100 VanDerWaalsContact C-N 3.34Å; V98-S100 PolarHBondContact O-N 3.05Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-V103 HydrophobicContact CG1-CB 3.59Å; V98-V103 HydrophobicContact CG1-CG1 3.7Å; V98-V103 HydrophobicContact CG1-CG2 3.93Å; V98-V103 WeakPolarHBondContact O-CB 3.41Å; V98-I108 HydrophobicContact CB-CD1 4.27Å; V98-I108 HydrophobicContact CG1-CD1 3.74Å; V98-I108 HydrophobicContact CG1-CG1 3.89Å
99Q98.2Very high98.2Very high42 Ų4241.7 Ų41.720%0.19625%0.248CC..Hα-helixtrans-66.8-32.6177.4-71.4-173.5-32.400112.9I95 L97 L101 G102 I108 H126I95-Q99 HydrophobicContact CG2-CG 4.24Å; I95-Q99 VanDerWaalsContact O-CB 3.32Å; I95-Q99 WeakPolarHBondContact O-CB 3.34Å; I95-Q99 VanDerWaalsContact O-CG 3.31Å; I95-Q99 WeakPolarHBondContact O-CG 3.32Å; I95-Q99 PolarHBondContact O-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.11Å; Q99-L101 PolarHBondContact O-N 3.07Å; Q99-G102 PolarHBondContact O-N 3.06Å; Q99-I108 HydrophobicContact CG-CD1 3.83Å; Q99-H126 PolarHBondContact NE2-O 3.32Å
100S97.4Very high98.2Very high81 Ų8141.7 Ų41.757%0.56625%0.248SC*.Hα-helixtrans-64.6-20.4177.578.70000113.4Q96 L97 V98 G102Q96-S100 WeakPolarHBondContact O-CB 3.4Å; Q96-S100 PolarHBondContact O-N 2.98Å; Q96-S100 PolarHBondContact O-OG 2.71Å; L97-S100 PolarHBondContact O-N 3.29Å; L97-S100 PolarHBondContact O-OG 3.16Å; V98-S100 VanDerWaalsContact C-N 3.34Å; V98-S100 PolarHBondContact O-N 3.05Å; S100-G102 VanDerWaalsContact C-N 3.31Å
101L95.8Very high98.2Very high44 Ų4441 Ų4123%0.2324%0.242CC..THydrogen-bonded Turntrans-89.55.6174.1-61.5172.3000112.7Q74 V77 M78 L97 V98 Q99Q74-L101 HydrophobicContact CG-CD1 4.49Å; Q74-L101 HydrophobicContact CG-CD2 4.04Å; V77-L101 HydrophobicContact CB-CD1 3.88Å; V77-L101 HydrophobicContact CG1-CD1 3.51Å; M78-L101 HydrophobicContact CB-CD1 4.18Å; M78-L101 HydrophobicContact CB-CD2 4.27Å; M78-L101 HydrophobicContact CG-CD2 4.48Å; M78-L101 HydrophobicContact SD-CD2 4.26Å; L97-L101 PolarHBondContact O-N 3.18Å; V98-L101 PolarHBondContact O-N 2.98Å; Q99-L101 PolarHBondContact O-N 3.07Å
102G95.9Very high98.2Very high67 Ų6741.5 Ų41.569%0.69124%0.242SC*.THydrogen-bonded Turntrans81.815.2176.500000114.7Q99 S100Q99-G102 PolarHBondContact O-N 3.06Å; S100-G102 VanDerWaalsContact C-N 3.31Å
103V97.4Very high98.2Very high9 Ų937.7 Ų37.76%0.05523%0.226CC..  trans-72.6130.1176.7178.10000110.2A81 F87 V98 R107A81-V103 HydrophobicContact CB-CG2 3.65Å; F87-V103 HydrophobicContact CD2-CG1 3.89Å; F87-V103 HydrophobicContact CD2-CG2 4.33Å; F87-V103 HydrophobicContact CE2-CB 4.48Å; F87-V103 HydrophobicContact CE2-CG1 4.01Å; F87-V103 HydrophobicContact CE2-CG2 3.74Å; V98-V103 HydrophobicContact CG1-CB 3.59Å; V98-V103 HydrophobicContact CG1-CG1 3.7Å; V98-V103 HydrophobicContact CG1-CG2 3.93Å; V98-V103 WeakPolarHBondContact O-CB 3.41Å; V103-R107 HydrophobicContact CG1-CB 3.8Å
104D97.9Very high98.2Very high91 Ų9136 Ų3649%0.48722%0.218SC..  trans-64.8138.1177.9-171.8-85.4000111.5S106 R107D104-S106 PolarHBondContact O-N 3.49Å; D104-S106 WeakPolarHBondContact OD1-CB 3.43Å; D104-S106 PolarHBondContact OD1-N 3.03Å; D104-S106 PolarHBondContact OD1-OG 3.08Å; D104-R107 WeakPolarHBondContact O-CB 3.5Å; D104-R107 PolarHBondContact O-N 2.85Å
105P98.1Very high98.2Very high31 Ų3134.7 Ų34.720%0.20121%0.212CC..G310 helixtrans-55.8-24.7179.4-24.432.7000114.9R107 I108 H126 G127 V128P105-R107 PolarHBondContact O-N 2.86Å; P105-I108 PolarHBondContact O-N 3.24Å; P105-H126 WeakPolarHBondContact CG-O 3.47Å; P105-G127 VanDerWaalsContact CB-O 3.24Å; P105-G127 WeakPolarHBondContact CB-O 3.47Å; P105-V128 HydrophobicContact CB-CG2 4.2Å
106S97.9Very high98.2Very high72 Ų7240.6 Ų40.650%0.50324%0.239SC..G310 helixtrans-66.6-17.8175.464.70000113.9D104 I108 M130D104-S106 PolarHBondContact O-N 3.49Å; D104-S106 WeakPolarHBondContact OD1-CB 3.43Å; D104-S106 PolarHBondContact OD1-N 3.03Å; D104-S106 PolarHBondContact OD1-OG 3.08Å; S106-I108 VanDerWaalsContact C-N 3.34Å; S106-M130 WeakPolarHBondContact O-CE 3.47Å
107R98.6Very high98.2Very high66 Ų6639.7 Ų39.725%0.24924%0.239CC..G310 helixtrans-92.110.1172.2-77173.559.6-171.7-3.3112.6F65 A81 G84 T85 G86 F87 V103 D104 P105F65-R107 VanDerWaalsContact CE1-O 3.29Å; F65-R107 WeakPolarHBondContact CE1-O 3.31Å; A81-R107 PolarHBondContact O-NH2 2.76Å; G84-R107 VanDerWaalsContact CA-NH2 3.32Å; T85-R107 PolarHBondContact O-NE 3.1Å; T85-R107 PolarHBondContact O-NH2 2.96Å; G86-R107 CarbonylContact C-O 3.52Å; G86-R107 WeakPolarHBondContact CA-O 3.17Å; F87-R107 PolarHBondContact N-O 2.98Å; V103-R107 HydrophobicContact CG1-CB 3.8Å; D104-R107 WeakPolarHBondContact O-CB 3.5Å; D104-R107 PolarHBondContact O-N 2.85Å; P105-R107 PolarHBondContact O-N 2.86Å
108I98.9Very high98.2Very high0 Ų041.1 Ų41.10%025%0.252CS..EExtended strand (participates in β ladder)trans-113.6129.2176.9-57.3177.5000109.5F87 C89 I95 V98 Q99 P105 S106 V128F87-I108 WeakPolarHBondContact O-CA 3.42Å; C89-I108 HydrophobicContact CB-CG2 4.16Å; I95-I108 HydrophobicContact CG1-CG2 4.47Å; I95-I108 HydrophobicContact CG2-CD1 4.49Å; V98-I108 HydrophobicContact CB-CD1 4.27Å; V98-I108 HydrophobicContact CG1-CD1 3.74Å; V98-I108 HydrophobicContact CG1-CG1 3.89Å; Q99-I108 HydrophobicContact CG-CD1 3.83Å; P105-I108 PolarHBondContact O-N 3.24Å; S106-I108 VanDerWaalsContact C-N 3.34Å; I108-V128 HydrophobicContact CB-CG1 4.16Å; I108-V128 HydrophobicContact CB-CG2 4.38Å; I108-V128 HydrophobicContact CD1-CG2 4.14Å; I108-V128 HydrophobicContact CG2-CG1 3.74Å; I108-V128 HydrophobicContact CG2-CG2 4.31Å
109I98.9Very high98.2Very high0 Ų043.1 Ų43.10%026%0.261CS..EExtended strand (participates in β ladder)trans-108126.6161-172.5170.3000108.4F65 F87 D88 C89 A111 M130 T132 V152 I272F65-I109 HydrophobicContact CB-CG2 4.32Å; F65-I109 HydrophobicContact CD1-CB 4.2Å; F65-I109 HydrophobicContact CD1-CG2 3.67Å; F65-I109 HydrophobicContact CE1-CB 4.41Å; F65-I109 HydrophobicContact CE1-CG2 4.36Å; F65-I109 HydrophobicContact CG-CG2 4.25Å; F87-I109 PolarHBondContact O-N 3.15Å; D88-I109 HydrophobicContact CB-CG2 4Å; C89-I109 PolarHBondContact N-O 3.33Å; I109-A111 VanDerWaalsContact C-N 3.34Å; I109-A111 HydrophobicContact CD1-CB 4.49Å; I109-A111 HydrophobicContact CG1-CB 4.23Å; I109-A111 HydrophobicContact CG2-CB 4.32Å; I109-A111 PolarHBondContact O-N 3.42Å; I109-M130 HydrophobicContact CB-CB 4.48Å; I109-M130 HydrophobicContact CG1-CB 4.17Å; I109-T132 HydrophobicContact CD1-CG2 4.4Å; I109-V152 HydrophobicContact CD1-CG2 4.39Å; I109-I272 HydrophobicContact CD1-CD1 3.96Å
110Y98.9Very high98.2Very high0 Ų041.1 Ų41.10%025%0.252CS..EExtended strand (participates in β ladder)trans-86.777.9173.9-168.9175.4000109.1C89 A90 I95 N112 K115 Q119 A123 M130 M131 T132C89-Y110 CarbonylContact O-C 3.57Å; C89-Y110 WeakPolarHBondContact O-CA 3.4Å; C89-Y110 WeakPolarHBondContact O-CD2 3.38Å; A90-Y110 VanDerWaalsContact C-CE2 3.42Å; A90-Y110 WeakPolarHBondContact O-CE2 3.24Å; I95-Y110 HydrophobicContact CD1-CD1 3.84Å; I95-Y110 HydrophobicContact CD1-CE1 4.03Å; I95-Y110 HydrophobicContact CD1-CG 4.15Å; Y110-N112 HydrophobicContact CD2-CB 4.11Å; Y110-N112 HydrophobicContact CE2-CB 3.75Å; Y110-N112 PolarHBondContact O-N 3.04Å; Y110-N112 VanDerWaalsContact O-N 3.13Å; Y110-K115 HydrophobicContact CD1-CD 3.75Å; Y110-K115 HydrophobicContact CD2-CD 4.01Å; Y110-K115 HydrophobicContact CD2-CG 4.44Å; Y110-K115 HydrophobicContact CE1-CD 3.65Å; Y110-K115 HydrophobicContact CE1-CG 4.08Å; Y110-K115 HydrophobicContact CE2-CD 3.9Å; Y110-K115 HydrophobicContact CE2-CG 3.88Å; Y110-K115 HydrophobicContact CG-CD 3.96Å; Y110-Q119 HydrophobicContact CE1-CB 4.47Å; Y110-Q119 WeakPolarHBondContact OH-CB 3.35Å; Y110-Q119 PolarHBondContact OH-OE1 2.94Å; Y110-Q119 VanDerWaalsContact OH-OE1 3.12Å; Y110-A123 HydrophobicContact CD1-CB 3.81Å; Y110-A123 HydrophobicContact CE1-CB 4.19Å; Y110-M130 PolarHBondContact N-O 2.87Å; Y110-M131 WeakPolarHBondContact O-CA 3.48Å; Y110-T132 PolarHBondContact O-N 3.25Å
111A98.6Very high98.3Very high8 Ų843 Ų437%0.06625%0.249CC..  trans-87.732.1-168.600000115.3D88 C89 I109 P113 T132 E274D88-A111 WeakPolarHBondContact OD1-CB 3.22Å; C89-A111 PolarHBondContact O-N 3.26Å; C89-A111 VanDerWaalsContact O-N 3.16Å; I109-A111 VanDerWaalsContact C-N 3.34Å; I109-A111 HydrophobicContact CD1-CB 4.49Å; I109-A111 HydrophobicContact CG1-CB 4.23Å; I109-A111 HydrophobicContact CG2-CB 4.32Å; I109-A111 PolarHBondContact O-N 3.42Å; A111-P113 WeakPolarHBondContact O-CD 3.35Å; A111-T132 VanDerWaalsContact CA-OG1 3.28Å; A111-T132 WeakPolarHBondContact CA-OG1 3.36Å; A111-T132 HydrophobicContact CB-CG2 3.83Å; A111-T132 PolarHBondContact O-OG1 2.9Å; A111-E274 WeakPolarHBondContact CB-OE1 3.49Å
112N98.7Very high98.4Very high40 Ų4042.4 Ų42.421%0.21425%0.245CC..  trans-92116.7165.6-177.5-12.1000109.7A90 Y110 C114 K115 T132A90-N112 HydrophobicContact CB-CB 4.43Å; A90-N112 PolarHBondContact O-ND2 3.36Å; A90-N112 VanDerWaalsContact O-ND2 3.08Å; Y110-N112 HydrophobicContact CD2-CB 4.11Å; Y110-N112 HydrophobicContact CE2-CB 3.75Å; Y110-N112 PolarHBondContact O-N 3.04Å; Y110-N112 VanDerWaalsContact O-N 3.13Å; N112-C114 VanDerWaalsContact C-N 3.26Å; N112-C114 PolarHBondContact O-N 3.2Å; N112-C114 PolarHBondContact OD1-N 3.47Å; N112-C114 PolarHBondContact OD1-O 3.02Å; N112-K115 HydrophobicContact CB-CG 4.05Å; N112-K115 VanDerWaalsContact O-CD 3.29Å; N112-K115 WeakPolarHBondContact O-CD 3.29Å; N112-K115 WeakPolarHBondContact O-CG 2.96Å; N112-K115 PolarHBondContact O-NZ 3.35Å; N112-T132 VanDerWaalsContact C-OG1 3.31Å; N112-T132 PolarHBondContact N-OG1 3.27Å
113P98.5Very high98.6Very high2 Ų239.2 Ų39.21%0.01321%0.212CC..SBendtrans-68.2-22.9-178.4-21.634.3000113.9A111 K115 D134 E138 F170A111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-K115 PolarHBondContact O-NZ 3.46Å; P113-D134 HydrophobicContact CB-CB 4.47Å; P113-D134 WeakPolarHBondContact CB-OD2 3.21Å; P113-E138 WeakPolarHBondContact O-CG 3.31Å; P113-F170 HydrophobicContact CB-CD1 4.11Å; P113-F170 HydrophobicContact CG-CB 4.43Å; P113-F170 HydrophobicContact CG-CD1 3.82Å; P113-F170 HydrophobicContact CG-CE1 4.31Å; P113-F170 HydrophobicContact CG-CG 4.24Å
114C98.6Very high98.6Very high65 Ų6540.9 Ų40.944%0.43922%0.223SC..SBendtrans-124.380.9-170.5-68.30000111.4N112 F170N112-C114 VanDerWaalsContact C-N 3.26Å; N112-C114 PolarHBondContact O-N 3.2Å; N112-C114 PolarHBondContact OD1-N 3.47Å; N112-C114 PolarHBondContact OD1-O 3.02Å; C114-F170 HydrophobicContact CB-CE1 4.46Å
115K98.8Very high98.6Very high2 Ų240.3 Ų40.31%0.00923%0.231CC..  trans-96.2141.8-167-65.8163.3-66.8-56.20113Y110 N112 P113 V117 I120 T132 E138 K141Y110-K115 HydrophobicContact CD1-CD 3.75Å; Y110-K115 HydrophobicContact CD2-CD 4.01Å; Y110-K115 HydrophobicContact CD2-CG 4.44Å; Y110-K115 HydrophobicContact CE1-CD 3.65Å; Y110-K115 HydrophobicContact CE1-CG 4.08Å; Y110-K115 HydrophobicContact CE2-CD 3.9Å; Y110-K115 HydrophobicContact CE2-CG 3.88Å; Y110-K115 HydrophobicContact CG-CD 3.96Å; N112-K115 HydrophobicContact CB-CG 4.05Å; N112-K115 VanDerWaalsContact O-CD 3.29Å; N112-K115 WeakPolarHBondContact O-CD 3.29Å; N112-K115 WeakPolarHBondContact O-CG 2.96Å; N112-K115 PolarHBondContact O-NZ 3.35Å; P113-K115 PolarHBondContact O-NZ 3.46Å; K115-V117 PolarHBondContact O-N 2.69Å; K115-I120 HydrophobicContact CB-CD1 3.96Å; K115-I120 HydrophobicContact CB-CG1 3.58Å; K115-I120 HydrophobicContact CD-CG1 4.27Å; K115-T132 PolarHBondContact NZ-O 2.89Å; K115-E138 WeakPolarHBondContact CB-OE1 3.33Å; K115-E138 VanDerWaalsContact CE-OE1 3.28Å; K115-E138 WeakPolarHBondContact CE-OE1 3.45Å; K115-E138 PolarHBondContact N-OE1 3.4Å; K115-E138 IonicContact NZ-OE1 3.89Å; K115-E138 PolarHBondContact NZ-OE1 3.36Å; K115-K141 WeakPolarHBondContact O-CE 2.9Å; K115-K141 PolarHBondContact O-NZ 3.21Å
116Q98.8Very high98.6Very high123 Ų12342.4 Ų42.458%0.57524%0.238SC*.  trans-64.9136.6169.1-170.7-176.32.300110S118 Q119 I120Q116-S118 VanDerWaalsContact C-N 3.26Å; Q116-S118 WeakPolarHBondContact CG-OG 3.49Å; Q116-S118 PolarHBondContact NE2-OG 2.69Å; Q116-S118 PolarHBondContact O-N 2.77Å; Q116-S118 VanDerWaalsContact O-N 3.16Å; Q116-Q119 HydrophobicContact CB-CG 4.2Å; Q116-Q119 WeakPolarHBondContact O-CA 3.21Å; Q116-Q119 WeakPolarHBondContact O-CB 3.5Å; Q116-Q119 PolarHBondContact O-N 3.45Å; Q116-I120 PolarHBondContact O-N 3.2Å; Q116-I120 VanDerWaalsContact O-N 3.09Å
117V98.8Very high98.6Very high57 Ų5740.6 Ų40.635%0.34523%0.232SC..Hα-helixtrans-53-40.7-177.2167.70000113K115 Q119 I120 K121 K141 C145K115-V117 PolarHBondContact O-N 2.69Å; V117-Q119 PolarHBondContact O-N 2.85Å; V117-I120 PolarHBondContact O-N 3.01Å; V117-K121 PolarHBondContact O-N 3.23Å; V117-K121 VanDerWaalsContact O-N 3.07Å; V117-K141 HydrophobicContact CG2-CB 4.38Å; V117-K141 HydrophobicContact CG2-CD 4.39Å; V117-K141 HydrophobicContact CG2-CG 3.97Å; V117-C145 VanDerWaalsContact CG1-SG 3.59Å
118S98.6Very high98.6Very high64 Ų6437.5 Ų37.545%0.44822%0.22SC..Hα-helixtrans-61.9-31.8176.651.50000112.9Q116 Y122Q116-S118 VanDerWaalsContact C-N 3.26Å; Q116-S118 WeakPolarHBondContact CG-OG 3.49Å; Q116-S118 PolarHBondContact NE2-OG 2.69Å; Q116-S118 PolarHBondContact O-N 2.77Å; Q116-S118 VanDerWaalsContact O-N 3.16Å; S118-Y122 PolarHBondContact O-N 3.21Å; S118-Y122 VanDerWaalsContact O-N 3.08Å
119Q98.8Very high98.6Very high42 Ų4241.7 Ų41.720%0.19624%0.239CC..Hα-helixtrans-80.6-32177.7-58.8-169.539.200112.1K92 Y110 Q116 V117 K121 Y122 A123K92-Q119 HydrophobicContact CB-CG 4.04Å; Y110-Q119 HydrophobicContact CE1-CB 4.47Å; Y110-Q119 WeakPolarHBondContact OH-CB 3.35Å; Y110-Q119 PolarHBondContact OH-OE1 2.94Å; Y110-Q119 VanDerWaalsContact OH-OE1 3.12Å; Q116-Q119 HydrophobicContact CB-CG 4.2Å; Q116-Q119 WeakPolarHBondContact O-CA 3.21Å; Q116-Q119 WeakPolarHBondContact O-CB 3.5Å; Q116-Q119 PolarHBondContact O-N 3.45Å; V117-Q119 PolarHBondContact O-N 2.85Å; Q119-K121 VanDerWaalsContact C-N 3.34Å; Q119-Y122 WeakPolarHBondContact O-CB 3.34Å; Q119-Y122 PolarHBondContact O-N 2.86Å; Q119-A123 PolarHBondContact O-N 3.08Å
120I98.9Very high98.6Very high0 Ų042.7 Ų42.70%024%0.244CC..Hα-helixtrans-60.2-46.4169-60.2174.2000110.1K115 Q116 V117 Y122 A123 S124 M131 K141 V142 C145 H146K115-I120 HydrophobicContact CB-CD1 3.96Å; K115-I120 HydrophobicContact CB-CG1 3.58Å; K115-I120 HydrophobicContact CD-CG1 4.27Å; Q116-I120 PolarHBondContact O-N 3.2Å; Q116-I120 VanDerWaalsContact O-N 3.09Å; V117-I120 PolarHBondContact O-N 3.01Å; I120-Y122 VanDerWaalsContact C-N 3.29Å; I120-Y122 PolarHBondContact O-N 2.94Å; I120-A123 PolarHBondContact O-N 2.97Å; I120-S124 PolarHBondContact O-N 3.24Å; I120-M131 HydrophobicContact CG2-CE 4.49Å; I120-K141 HydrophobicContact CD1-CB 3.95Å; I120-V142 HydrophobicContact CD1-CG2 4.46Å; I120-C145 HydrophobicContact CB-CB 4.43Å; I120-C145 HydrophobicContact CG2-CB 3.85Å; I120-H146 HydrophobicContact CG2-CB 3.9Å
121K98.7Very high98.6Very high119 Ų11942.7 Ų42.752%0.51724%0.244SC..Hα-helixtrans-61.7-37.4175.4-69.7-178178.4-172.10112.4V117 Q119 S124 A125 C145V117-K121 PolarHBondContact O-N 3.23Å; V117-K121 VanDerWaalsContact O-N 3.07Å; Q119-K121 VanDerWaalsContact C-N 3.34Å; K121-S124 PolarHBondContact O-N 3.41Å; K121-A125 WeakPolarHBondContact O-CB 3.26Å; K121-A125 PolarHBondContact O-N 3.43Å; K121-C145 HydrophobicContact CG-CB 3.92Å
122Y98.8Very high98.6Very high33 Ų3342.3 Ų42.313%0.12924%0.241CC..Hα-helixtrans-61.8-49.7174.9-177.5-87.6000111.2K92 I95 Q96 S118 Q119 I120 S124 A125 H126K92-Y122 HydrophobicContact CB-CD1 4.27Å; K92-Y122 HydrophobicContact CB-CG 4.47Å; K92-Y122 HydrophobicContact CD-CD1 4.39Å; K92-Y122 HydrophobicContact CD-CD2 3.78Å; K92-Y122 HydrophobicContact CD-CE2 4.15Å; K92-Y122 HydrophobicContact CD-CG 3.92Å; K92-Y122 HydrophobicContact CG-CD1 3.77Å; K92-Y122 HydrophobicContact CG-CD2 3.99Å; K92-Y122 HydrophobicContact CG-CE1 3.96Å; K92-Y122 HydrophobicContact CG-CE2 4.14Å; K92-Y122 HydrophobicContact CG-CG 3.81Å; I95-Y122 HydrophobicContact CB-CE1 4.33Å; I95-Y122 HydrophobicContact CG2-CE1 3.91Å; Q96-Y122 HydrophobicContact CG-CE1 4.11Å; Q96-Y122 HydrophobicContact CG-CE2 4.44Å; Q96-Y122 WeakPolarHBondContact CG-OH 3.42Å; Q96-Y122 PolarHBondContact NE2-OH 3.05Å; S118-Y122 PolarHBondContact O-N 3.21Å; S118-Y122 VanDerWaalsContact O-N 3.08Å; Q119-Y122 WeakPolarHBondContact O-CB 3.34Å; Q119-Y122 PolarHBondContact O-N 2.86Å; I120-Y122 VanDerWaalsContact C-N 3.29Å; I120-Y122 PolarHBondContact O-N 2.94Å; Y122-S124 VanDerWaalsContact C-N 3.31Å; Y122-S124 PolarHBondContact O-N 2.79Å; Y122-A125 PolarHBondContact O-N 2.84Å; Y122-H126 AromaticContact CD1-ND1 3.97Å; Y122-H126 AromaticContact CD2-CE1 3.51Å; Y122-H126 AromaticContact CD2-ND1 3.73Å; Y122-H126 HydrophobicContact CE1-CB 4.45Å; Y122-H126 AromaticContact CE1-CG 3.94Å; Y122-H126 AromaticContact CE1-ND1 3.78Å; Y122-H126 AromaticContact CE2-CE1 3.1Å; Y122-H126 WeakPolarHBondContact CE2-CE1 3.2Å; Y122-H126 AromaticContact CE2-ND1 3.56Å; Y122-H126 AromaticContact CE2-NE2 3.54Å; Y122-H126 AromaticContact CG-ND1 3.92Å; Y122-H126 AromaticContact CZ-CD2 3.79Å; Y122-H126 AromaticContact CZ-CE1 3.43Å; Y122-H126 VanDerWaalsContact CZ-CE1 3.43Å; Y122-H126 AromaticContact CZ-CG 3.8Å; Y122-H126 AromaticContact CZ-ND1 3.55Å; Y122-H126 AromaticContact CZ-NE2 3.56Å; Y122-H126 PolarHBondContact O-N 3.42Å; Y122-H126 VanDerWaalsContact O-N 3.1Å; Y122-H126 PolarHBondContact O-ND1 2.76Å; Y122-H126 PolarHBondContact OH-CD2 3.23Å; Y122-H126 PolarHBondContact OH-NE2 3.11Å
123A98.7Very high98.6Very high0 Ų040.4 Ų40.40%023%0.231CC..Hα-helixtrans-56.4-45.4176.600000111.6I95 Y110 Q119 I120 A125 H126 G127 V128I95-A123 HydrophobicContact CD1-CB 4.31Å; Y110-A123 HydrophobicContact CD1-CB 3.81Å; Y110-A123 HydrophobicContact CE1-CB 4.19Å; Q119-A123 PolarHBondContact O-N 3.08Å; I120-A123 PolarHBondContact O-N 2.97Å; A123-A125 PolarHBondContact O-N 2.88Å; A123-H126 CarbonylContact O-C 2.94Å; A123-H126 PolarHBondContact O-N 2.89Å; A123-G127 PolarHBondContact O-N 3.17Å; A123-G127 VanDerWaalsContact O-N 3.11Å; A123-V128 HydrophobicContact CB-CB 4.09Å; A123-V128 PolarHBondContact O-N 2.95Å
124S98.5Very high98.6Very high43 Ų4341.4 Ų41.430%0.30124%0.236SC..Hα-helixtrans-58.1-49.3175.5-167.90000112.7I120 K121 Y122 H126 G127 H146I120-S124 PolarHBondContact O-N 3.24Å; K121-S124 PolarHBondContact O-N 3.41Å; Y122-S124 VanDerWaalsContact C-N 3.31Å; Y122-S124 PolarHBondContact O-N 2.79Å; S124-H126 PolarHBondContact O-N 3.23Å; S124-G127 PolarHBondContact O-N 3.45Å; S124-H146 WeakPolarHBondContact CA-CD2 3.42Å; S124-H146 WeakPolarHBondContact CA-NE2 3.36Å; S124-H146 WeakPolarHBondContact CB-CD2 3.43Å; S124-H146 PolarHBondContact N-CD2 3.08Å
125A98.3Very high98.6Very high79 Ų7940.1 Ų40.165%0.65323%0.228SC*.Hα-helixtrans-66.1-19.2-179.400000113.7K121 Y122 A123K121-A125 WeakPolarHBondContact O-CB 3.26Å; K121-A125 PolarHBondContact O-N 3.43Å; Y122-A125 PolarHBondContact O-N 2.84Å; A123-A125 PolarHBondContact O-N 2.88Å
126H98.3Very high98.6Very high75 Ų7544.5 Ų44.535%0.34725%0.248SC..THydrogen-bonded Turntrans-11215.5-178.7-62.773.4000112.8Q99 P105 Y122 A123 S124 V128Q99-H126 PolarHBondContact NE2-O 3.32Å; P105-H126 WeakPolarHBondContact CG-O 3.47Å; Y122-H126 AromaticContact CD1-ND1 3.97Å; Y122-H126 AromaticContact CD2-CE1 3.51Å; Y122-H126 AromaticContact CD2-ND1 3.73Å; Y122-H126 HydrophobicContact CE1-CB 4.45Å; Y122-H126 AromaticContact CE1-CG 3.94Å; Y122-H126 AromaticContact CE1-ND1 3.78Å; Y122-H126 AromaticContact CE2-CE1 3.1Å; Y122-H126 WeakPolarHBondContact CE2-CE1 3.2Å; Y122-H126 AromaticContact CE2-ND1 3.56Å; Y122-H126 AromaticContact CE2-NE2 3.54Å; Y122-H126 AromaticContact CG-ND1 3.92Å; Y122-H126 AromaticContact CZ-CD2 3.79Å; Y122-H126 AromaticContact CZ-CE1 3.43Å; Y122-H126 VanDerWaalsContact CZ-CE1 3.43Å; Y122-H126 AromaticContact CZ-CG 3.8Å; Y122-H126 AromaticContact CZ-ND1 3.55Å; Y122-H126 AromaticContact CZ-NE2 3.56Å; Y122-H126 PolarHBondContact O-N 3.42Å; Y122-H126 VanDerWaalsContact O-N 3.1Å; Y122-H126 PolarHBondContact O-ND1 2.76Å; Y122-H126 PolarHBondContact OH-CD2 3.23Å; Y122-H126 PolarHBondContact OH-NE2 3.11Å; A123-H126 CarbonylContact O-C 2.94Å; A123-H126 PolarHBondContact O-N 2.89Å; S124-H126 PolarHBondContact O-N 3.23Å; H126-V128 VanDerWaalsContact C-N 3.31Å; H126-V128 PolarHBondContact O-N 2.6Å
127G98.1Very high98.6Very high35 Ų3542.9 Ų42.936%0.36125%0.247SC..THydrogen-bonded Turntrans74.111.7171.800000115.9P105 A123 S124 Q129P105-G127 VanDerWaalsContact CB-O 3.24Å; P105-G127 WeakPolarHBondContact CB-O 3.47Å; A123-G127 PolarHBondContact O-N 3.17Å; A123-G127 VanDerWaalsContact O-N 3.11Å; S124-G127 PolarHBondContact O-N 3.45Å; G127-Q129 PolarHBondContact O-N 3.18Å
128V98.6Very high98.6Very high0 Ų040.3 Ų40.30%023%0.231CC..  trans-81.998.3176.8179.50000109I95 P105 I108 A123 H126 H146I95-V128 HydrophobicContact CG2-CG2 3.85Å; P105-V128 HydrophobicContact CB-CG2 4.2Å; I108-V128 HydrophobicContact CB-CG1 4.16Å; I108-V128 HydrophobicContact CB-CG2 4.38Å; I108-V128 HydrophobicContact CD1-CG2 4.14Å; I108-V128 HydrophobicContact CG2-CG1 3.74Å; I108-V128 HydrophobicContact CG2-CG2 4.31Å; A123-V128 HydrophobicContact CB-CB 4.09Å; A123-V128 PolarHBondContact O-N 2.95Å; H126-V128 VanDerWaalsContact C-N 3.31Å; H126-V128 PolarHBondContact O-N 2.6Å; V128-H146 PolarHBondContact O-NE2 3.2Å; V128-H146 VanDerWaalsContact O-NE2 3.09Å
129Q98.5Very high98.6Very high89 Ų8937.3 Ų37.342%0.41621%0.21SC..  trans-88.2-39.9-170.7-67.4174.678.700114G127 K150G127-Q129 PolarHBondContact O-N 3.18Å; Q129-K150 HydrophobicContact CB-CG 4.32Å; Q129-K150 PolarHBondContact O-N 3.1Å
130M98.8Very high98.6Very high21 Ų2139 Ų3910%0.10322%0.219CC..EExtended strand (participates in β ladder)trans-77.3124.1-176-70.8-174.9-65.200110.9F65 S106 I109 Y110 K150 I192 L231F65-M130 HydrophobicContact CE1-CE 4.37Å; F65-M130 HydrophobicContact CZ-CE 4.48Å; S106-M130 WeakPolarHBondContact O-CE 3.47Å; I109-M130 HydrophobicContact CB-CB 4.48Å; I109-M130 HydrophobicContact CG1-CB 4.17Å; Y110-M130 PolarHBondContact N-O 2.87Å; M130-K150 WeakPolarHBondContact CA-O 3.5Å; M130-K150 HydrophobicContact CG-CB 4.24Å; M130-I192 HydrophobicContact CG-CD1 4.23Å; M130-I192 HydrophobicContact SD-CD1 4.38Å; M130-L231 HydrophobicContact SD-CD2 3.89Å
131M98.9Very high98.6Very high0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-148.4148.2177.562-17967.500112.9Y110 I120 V142 H146 A149 K150 L151 V152Y110-M131 WeakPolarHBondContact O-CA 3.48Å; I120-M131 HydrophobicContact CG2-CE 4.49Å; M131-V142 HydrophobicContact SD-CG1 4.35Å; M131-V142 HydrophobicContact SD-CG2 3.8Å; M131-H146 HydrophobicContact CE-CB 4.43Å; M131-H146 WeakPolarHBondContact CE-CD2 3.39Å; M131-A149 HydrophobicContact CE-CB 4.17Å; M131-A149 HydrophobicContact CG-CB 4.41Å; M131-A149 HydrophobicContact SD-CB 4.11Å; M131-K150 PolarHBondContact N-O 3.11Å; M131-L151 HydrophobicContact CG-CD2 3.54Å; M131-L151 WeakPolarHBondContact O-CA 3.47Å; M131-L151 HydrophobicContact SD-CD2 4.16Å; M131-V152 PolarHBondContact O-N 2.9Å
132T98.9Very high98.6Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-87.515718059.40000112.6I109 Y110 A111 N112 K115 V152I109-T132 HydrophobicContact CD1-CG2 4.4Å; Y110-T132 PolarHBondContact O-N 3.25Å; A111-T132 VanDerWaalsContact CA-OG1 3.28Å; A111-T132 WeakPolarHBondContact CA-OG1 3.36Å; A111-T132 HydrophobicContact CB-CG2 3.83Å; A111-T132 PolarHBondContact O-OG1 2.9Å; N112-T132 VanDerWaalsContact C-OG1 3.31Å; N112-T132 PolarHBondContact N-OG1 3.27Å; K115-T132 PolarHBondContact NZ-O 2.89Å; T132-V152 CarbonylContact C-O 3.5Å; T132-V152 VanDerWaalsContact CA-O 3.22Å; T132-V152 WeakPolarHBondContact CA-O 3.49Å; T132-V152 HydrophobicContact CG2-CB 4.19Å
133F98.9Very high98.6Very high0 Ų035.6 Ų35.60%021%0.212CC..EExtended strand (participates in β ladder)trans-152.7158.4169.580.6-73000110.6E138 L139 L151 V152 L153 R154 L180 V191F133-E138 HydrophobicContact CB-CB 4.03Å; F133-E138 HydrophobicContact CB-CG 3.84Å; F133-L139 HydrophobicContact CD1-CD2 4.48Å; F133-L139 HydrophobicContact CD2-CD1 4.41Å; F133-L139 HydrophobicContact CD2-CD2 3.58Å; F133-L139 HydrophobicContact CD2-CG 3.76Å; F133-L139 HydrophobicContact CE1-CD2 4.35Å; F133-L139 HydrophobicContact CE2-CD1 3.9Å; F133-L139 HydrophobicContact CE2-CD2 3.43Å; F133-L139 VanDerWaalsContact CE2-CD2 3.43Å; F133-L139 HydrophobicContact CE2-CG 3.7Å; F133-L139 HydrophobicContact CG-CD2 4.12Å; F133-L139 HydrophobicContact CZ-CD2 3.84Å; F133-L151 HydrophobicContact CD1-CB 3.87Å; F133-L151 HydrophobicContact CD1-CD1 4.26Å; F133-L151 HydrophobicContact CD1-CD2 4.39Å; F133-L151 HydrophobicContact CD1-CG 4.42Å; F133-L151 HydrophobicContact CE1-CB 3.84Å; F133-L151 HydrophobicContact CE1-CD1 4.33Å; F133-V152 PolarHBondContact N-O 2.84Å; F133-L153 HydrophobicContact CD2-CD1 4.42Å; F133-L153 HydrophobicContact CE1-CB 3.76Å; F133-L153 HydrophobicContact CE1-CD1 4.21Å; F133-L153 HydrophobicContact CE2-CD1 3.89Å; F133-L153 HydrophobicContact CZ-CB 3.93Å; F133-L153 HydrophobicContact CZ-CD1 3.78Å; F133-L153 HydrophobicContact CZ-CG 4.32Å; F133-R154 PolarHBondContact O-N 2.88Å; F133-L180 HydrophobicContact CE2-CB 4.17Å; F133-V191 HydrophobicContact CE1-CG1 4.2Å; F133-V191 HydrophobicContact CE1-CG2 4.24Å; F133-V191 HydrophobicContact CZ-CG2 4.25Å
134D98.6Very high98.6Very high23 Ų2345.2 Ų45.212%0.12325%0.248CC..  trans-144.310.9175.457.98.7000113.3P113 R154 F170 G171 A172P113-D134 HydrophobicContact CB-CB 4.47Å; P113-D134 WeakPolarHBondContact CB-OD2 3.21Å; D134-R154 HydrophobicContact CB-CB 4.4Å; D134-F170 WeakPolarHBondContact OD2-CA 3.29Å; D134-G171 PolarHBondContact OD2-N 2.9Å; D134-A172 HydrophobicContact CB-CB 4.44Å
135S98.6Very high98.5Very high38 Ų3844 Ų4427%0.26624%0.239SC..SBendtrans-145.9153.9-177.468.90000113.5V137 E138 L139S135-V137 VanDerWaalsContact C-N 3.3Å; S135-V137 PolarHBondContact O-N 3.44Å; S135-E138 WeakPolarHBondContact O-CB 3.45Å; S135-E138 PolarHBondContact O-N 2.76Å; S135-E138 PolarHBondContact OG-N 3.32Å; S135-L139 PolarHBondContact O-N 2.98Å
136E98.5Very high98.4Very high93 Ų9340.4 Ų40.444%0.43521%0.209SC..Hα-helixtrans-62.7-36.7177.2172.3171.8-165.900112.3E138 L139 M140 L180 R183E136-E138 PolarHBondContact O-N 3.28Å; E136-L139 WeakPolarHBondContact O-CB 3.37Å; E136-L139 PolarHBondContact O-N 2.57Å; E136-L139 VanDerWaalsContact O-N 3.14Å; E136-M140 HydrophobicContact CG-CE 4.46Å; E136-M140 PolarHBondContact O-N 2.93Å; E136-L180 HydrophobicContact CB-CD2 4.21Å; E136-L180 VanDerWaalsContact N-CD2 3.33Å; E136-R183 HydrophobicContact CG-CG 3.91Å; E136-R183 IonicContact OE1-CZ 2.6Å; E136-R183 IonicContact OE1-NE 3.13Å; E136-R183 PolarHBondContact OE1-NE 2.91Å; E136-R183 IonicContact OE1-NH2 2.69Å
137V98.6Very high98Very high89 Ų8943.6 Ų43.654%0.53923%0.229SC..Hα-helixtrans-63.4-34.3178.7179.50000111.2S135 M140 K141S135-V137 VanDerWaalsContact C-N 3.3Å; S135-V137 PolarHBondContact O-N 3.44Å; V137-M140 HydrophobicContact CB-CE 4.14Å; V137-M140 HydrophobicContact CG1-CE 4.4Å; V137-M140 HydrophobicContact CG2-CE 3.81Å; V137-M140 PolarHBondContact O-N 2.94Å; V137-K141 HydrophobicContact CG1-CD 4.25Å; V137-K141 WeakPolarHBondContact O-CD 3.46Å; V137-K141 WeakPolarHBondContact O-CG 3.49Å; V137-K141 PolarHBondContact O-N 3.38Å; V137-K141 VanDerWaalsContact O-N 3.14Å
138E98.8Very high97.8Very high4 Ų447.2 Ų47.22%0.01924%0.24CC..Hα-helixtrans-65.3-42.9174.2-158.471.3-172.900111.6P113 K115 F133 S135 E136 M140 K141 V142P113-E138 WeakPolarHBondContact O-CG 3.31Å; K115-E138 WeakPolarHBondContact CB-OE1 3.33Å; K115-E138 VanDerWaalsContact CE-OE1 3.28Å; K115-E138 WeakPolarHBondContact CE-OE1 3.45Å; K115-E138 PolarHBondContact N-OE1 3.4Å; K115-E138 IonicContact NZ-OE1 3.89Å; K115-E138 PolarHBondContact NZ-OE1 3.36Å; F133-E138 HydrophobicContact CB-CB 4.03Å; F133-E138 HydrophobicContact CB-CG 3.84Å; S135-E138 WeakPolarHBondContact O-CB 3.45Å; S135-E138 PolarHBondContact O-N 2.76Å; S135-E138 PolarHBondContact OG-N 3.32Å; E136-E138 PolarHBondContact O-N 3.28Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 2.99Å; E138-K141 WeakPolarHBondContact O-CB 3.4Å; E138-K141 PolarHBondContact O-N 3.26Å; E138-K141 IonicContact OE1-NZ 2.79Å; E138-K141 WeakPolarHBondContact OE2-CE 3.47Å; E138-K141 IonicContact OE2-NZ 3.72Å; E138-K141 PolarHBondContact OE2-NZ 2.7Å; E138-V142 WeakPolarHBondContact O-CG2 3.46Å; E138-V142 PolarHBondContact O-N 3.24Å
139L98.8Very high97.8Very high0 Ų047.4 Ų47.40%024%0.242CC..Hα-helixtrans-56.5-45.9174.2-65174.8000111.5F133 S135 E136 K141 V142 A143 L151 L180 R183 A184 L187 L189F133-L139 HydrophobicContact CD1-CD2 4.48Å; F133-L139 HydrophobicContact CD2-CD1 4.41Å; F133-L139 HydrophobicContact CD2-CD2 3.58Å; F133-L139 HydrophobicContact CD2-CG 3.76Å; F133-L139 HydrophobicContact CE1-CD2 4.35Å; F133-L139 HydrophobicContact CE2-CD1 3.9Å; F133-L139 HydrophobicContact CE2-CD2 3.43Å; F133-L139 VanDerWaalsContact CE2-CD2 3.43Å; F133-L139 HydrophobicContact CE2-CG 3.7Å; F133-L139 HydrophobicContact CG-CD2 4.12Å; F133-L139 HydrophobicContact CZ-CD2 3.84Å; S135-L139 PolarHBondContact O-N 2.98Å; E136-L139 WeakPolarHBondContact O-CB 3.37Å; E136-L139 PolarHBondContact O-N 2.57Å; E136-L139 VanDerWaalsContact O-N 3.14Å; L139-K141 VanDerWaalsContact C-N 3.26Å; L139-K141 PolarHBondContact O-N 2.61Å; L139-V142 PolarHBondContact O-N 3.41Å; L139-A143 WeakPolarHBondContact O-CB 3.19Å; L139-A143 PolarHBondContact O-N 2.75Å; L139-L151 HydrophobicContact CD2-CD1 3.54Å; L139-L180 HydrophobicContact CD1-CD2 4.5Å; L139-L180 WeakPolarHBondContact CD1-O 3.31Å; L139-R183 HydrophobicContact CD1-CB 4.1Å; L139-R183 HydrophobicContact CD1-CG 4.12Å; L139-A184 HydrophobicContact CD1-CB 3.98Å; L139-A184 HydrophobicContact CD2-CB 3.88Å; L139-L187 HydrophobicContact CB-CD1 3.8Å; L139-L189 HydrophobicContact CB-CD1 3.94Å; L139-L189 HydrophobicContact CD2-CD1 3.7Å; L139-L189 HydrophobicContact CG-CD1 4.44Å
140M98.6Very high97.8Very high78 Ų7846.7 Ų46.738%0.38424%0.237SC..Hα-helixtrans-61.3-33.5177.2-67.6-169-74.700113E136 V137 E138 R144E136-M140 HydrophobicContact CG-CE 4.46Å; E136-M140 PolarHBondContact O-N 2.93Å; V137-M140 HydrophobicContact CB-CE 4.14Å; V137-M140 HydrophobicContact CG1-CE 4.4Å; V137-M140 HydrophobicContact CG2-CE 3.81Å; V137-M140 PolarHBondContact O-N 2.94Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 2.99Å; M140-R144 WeakPolarHBondContact O-CD 3.31Å; M140-R144 WeakPolarHBondContact O-CG 3.44Å
141K98.8Very high97.8Very high42 Ų4245.7 Ų45.718%0.18323%0.232CC..Hα-helixtrans-71.6-44.7176.3-71.9157.653.2-172.90111.2K115 V117 I120 V137 E138 L139 R144 C145K115-K141 WeakPolarHBondContact O-CE 2.9Å; K115-K141 PolarHBondContact O-NZ 3.21Å; V117-K141 HydrophobicContact CG2-CB 4.38Å; V117-K141 HydrophobicContact CG2-CD 4.39Å; V117-K141 HydrophobicContact CG2-CG 3.97Å; I120-K141 HydrophobicContact CD1-CB 3.95Å; V137-K141 HydrophobicContact CG1-CD 4.25Å; V137-K141 WeakPolarHBondContact O-CD 3.46Å; V137-K141 WeakPolarHBondContact O-CG 3.49Å; V137-K141 PolarHBondContact O-N 3.38Å; V137-K141 VanDerWaalsContact O-N 3.14Å; E138-K141 WeakPolarHBondContact O-CB 3.4Å; E138-K141 PolarHBondContact O-N 3.26Å; E138-K141 IonicContact OE1-NZ 2.79Å; E138-K141 WeakPolarHBondContact OE2-CE 3.47Å; E138-K141 IonicContact OE2-NZ 3.72Å; E138-K141 PolarHBondContact OE2-NZ 2.7Å; L139-K141 VanDerWaalsContact C-N 3.26Å; L139-K141 PolarHBondContact O-N 2.61Å; K141-R144 PolarHBondContact O-N 2.88Å; K141-C145 WeakPolarHBondContact O-CB 3.35Å; K141-C145 PolarHBondContact O-N 3.45Å; K141-C145 PolarHBondContact O-SG 3Å
142V98.7Very high97.8Very high0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-64.2-47.9180174.80000110.8I120 M131 E138 L139 R144 C145 H146 A149 L151 L189I120-V142 HydrophobicContact CD1-CG2 4.46Å; M131-V142 HydrophobicContact SD-CG1 4.35Å; M131-V142 HydrophobicContact SD-CG2 3.8Å; E138-V142 WeakPolarHBondContact O-CG2 3.46Å; E138-V142 PolarHBondContact O-N 3.24Å; L139-V142 PolarHBondContact O-N 3.41Å; V142-R144 PolarHBondContact O-N 3.46Å; V142-C145 PolarHBondContact O-N 3.44Å; V142-H146 HydrophobicContact CG1-CB 4.39Å; V142-H146 PolarHBondContact O-N 3.22Å; V142-A149 HydrophobicContact CG1-CB 3.52Å; V142-L151 HydrophobicContact CG1-CD1 4.42Å; V142-L151 HydrophobicContact CG1-CD2 4.05Å; V142-L151 HydrophobicContact CG2-CD2 4.22Å; V142-L189 HydrophobicContact CG1-CD2 3.91Å
143A98.3Very high97.8Very high38 Ų3845.7 Ų45.731%0.31423%0.232SC..Hα-helixtrans-55.3-22.7177.600000114.1L139 L187 L189L139-A143 WeakPolarHBondContact O-CB 3.19Å; L139-A143 PolarHBondContact O-N 2.75Å; A143-L187 HydrophobicContact CB-CB 4.36Å; A143-L189 HydrophobicContact CB-CD1 4.21Å; A143-L189 HydrophobicContact CB-CD2 4.21Å; A143-L189 HydrophobicContact CB-CG 4.39Å
144R97.9Very high97.8Very high202 Ų20246.6 Ų46.676%0.76224%0.236SC*.Hα-helixtrans-95.7-17.2178.4-69.7176.463-156.8-0114.5M140 K141 V142M140-R144 WeakPolarHBondContact O-CD 3.31Å; M140-R144 WeakPolarHBondContact O-CG 3.44Å; K141-R144 PolarHBondContact O-N 2.88Å; V142-R144 PolarHBondContact O-N 3.46Å
145C96.6Very high97.8Very high18 Ų1845.7 Ų45.712%0.12223%0.231CC..Hα-helixtrans-131.8-12.7-161.3-58.40000114.7V117 I120 K121 K141 V142V117-C145 VanDerWaalsContact CG1-SG 3.59Å; I120-C145 HydrophobicContact CB-CB 4.43Å; I120-C145 HydrophobicContact CG2-CB 3.85Å; K121-C145 HydrophobicContact CG-CB 3.92Å; K141-C145 WeakPolarHBondContact O-CB 3.35Å; K141-C145 PolarHBondContact O-N 3.45Å; K141-C145 PolarHBondContact O-SG 3Å; V142-C145 PolarHBondContact O-N 3.44Å
146H97.4Very high97.7Very high4 Ų445.4 Ų45.42%0.01923%0.23CC..  trans-152.187.5-175.7-166.4-42.8000111.9I120 S124 V128 M131 V142 N148 A149I120-H146 HydrophobicContact CG2-CB 3.9Å; S124-H146 WeakPolarHBondContact CA-CD2 3.42Å; S124-H146 WeakPolarHBondContact CA-NE2 3.36Å; S124-H146 WeakPolarHBondContact CB-CD2 3.43Å; S124-H146 PolarHBondContact N-CD2 3.08Å; V128-H146 PolarHBondContact O-NE2 3.2Å; V128-H146 VanDerWaalsContact O-NE2 3.09Å; M131-H146 HydrophobicContact CE-CB 4.43Å; M131-H146 WeakPolarHBondContact CE-CD2 3.39Å; V142-H146 HydrophobicContact CG1-CB 4.39Å; V142-H146 PolarHBondContact O-N 3.22Å; H146-N148 VanDerWaalsContact C-N 3.25Å; H146-N148 VanDerWaalsContact CE1-C 3.45Å; H146-N148 PolarHBondContact ND1-N 3.04Å; H146-N148 PolarHBondContact O-N 3.42Å; H146-A149 HydrophobicContact CB-CB 4.14Å; H146-A149 PolarHBondContact CE1-N 2.76Å; H146-A149 WeakPolarHBondContact ND1-CA 3.17Å; H146-A149 PolarHBondContact ND1-N 2.85Å; H146-A149 WeakPolarHBondContact O-CB 3.47Å; H146-A149 PolarHBondContact O-N 2.99Å
147D90.3Very high97.4Very high142 Ų14241.6 Ų41.676%0.75921%0.214SC*.THydrogen-bonded Turntrans-63.9-27-173.3-56.6-19.6000114
148N93.4Very high96.9Very high110 Ų11041.2 Ų41.259%0.58821%0.209SC*.THydrogen-bonded Turntrans-106.524.2-177.7-59.5-43.5000113.2H146H146-N148 VanDerWaalsContact C-N 3.25Å; H146-N148 VanDerWaalsContact CE1-C 3.45Å; H146-N148 PolarHBondContact ND1-N 3.04Å; H146-N148 PolarHBondContact O-N 3.42Å
149A98.1Very high96.1Very high5 Ų541.9 Ų41.94%0.04121%0.212CC..  trans-69.7136.3-177.200000109.8M131 V142 H146 L151M131-A149 HydrophobicContact CE-CB 4.17Å; M131-A149 HydrophobicContact CG-CB 4.41Å; M131-A149 HydrophobicContact SD-CB 4.11Å; V142-A149 HydrophobicContact CG1-CB 3.52Å; H146-A149 HydrophobicContact CB-CB 4.14Å; H146-A149 PolarHBondContact CE1-N 2.76Å; H146-A149 WeakPolarHBondContact ND1-CA 3.17Å; H146-A149 PolarHBondContact ND1-N 2.85Å; H146-A149 WeakPolarHBondContact O-CB 3.47Å; H146-A149 PolarHBondContact O-N 2.99Å; A149-L151 HydrophobicContact CB-CD2 4.23Å
150K98.8Very high95.3Very high74 Ų7444.3 Ų44.332%0.32223%0.229SC..EExtended strand (participates in β ladder)trans-104.3105.4168.9-59.4-54.1-169.21800107.7Q129 M130 M131 D190 I192Q129-K150 HydrophobicContact CB-CG 4.32Å; Q129-K150 PolarHBondContact O-N 3.1Å; M130-K150 WeakPolarHBondContact CA-O 3.5Å; M130-K150 HydrophobicContact CG-CB 4.24Å; M131-K150 PolarHBondContact N-O 3.11Å; K150-D190 HydrophobicContact CD-CB 4.33Å; K150-D190 VanDerWaalsContact CD-OD2 3.31Å; K150-D190 WeakPolarHBondContact CD-OD2 3.24Å; K150-D190 WeakPolarHBondContact CE-OD2 3.26Å; K150-D190 IonicContact NZ-OD2 3.87Å; K150-D190 PolarHBondContact NZ-OD2 2.64Å; K150-I192 HydrophobicContact CB-CD1 3.7Å; K150-I192 HydrophobicContact CB-CG1 3.99Å; K150-I192 HydrophobicContact CB-CG2 4.03Å; K150-I192 HydrophobicContact CD-CG2 3.92Å; K150-I192 HydrophobicContact CG-CG2 4.39Å
151L98.9Very high94.5Very high0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-87.7137.9-169.9-67.1-177.4000111.8M131 F133 L139 V142 A149 L189 D190 V191 I192M131-L151 HydrophobicContact CG-CD2 3.54Å; M131-L151 WeakPolarHBondContact O-CA 3.47Å; M131-L151 HydrophobicContact SD-CD2 4.16Å; F133-L151 HydrophobicContact CD1-CB 3.87Å; F133-L151 HydrophobicContact CD1-CD1 4.26Å; F133-L151 HydrophobicContact CD1-CD2 4.39Å; F133-L151 HydrophobicContact CD1-CG 4.42Å; F133-L151 HydrophobicContact CE1-CB 3.84Å; F133-L151 HydrophobicContact CE1-CD1 4.33Å; L139-L151 HydrophobicContact CD2-CD1 3.54Å; V142-L151 HydrophobicContact CG1-CD1 4.42Å; V142-L151 HydrophobicContact CG1-CD2 4.05Å; V142-L151 HydrophobicContact CG2-CD2 4.22Å; A149-L151 HydrophobicContact CB-CD2 4.23Å; L151-L189 HydrophobicContact CD1-CB 3.99Å; L151-L189 HydrophobicContact CD1-CD1 3.97Å; L151-L189 HydrophobicContact CD1-CG 4.4Å; L151-D190 WeakPolarHBondContact CB-O 3.48Å; L151-D190 PolarHBondContact N-O 3.45Å; L151-V191 HydrophobicContact CB-CG2 4.26Å; L151-V191 CarbonylContact O-C 3.5Å; L151-V191 WeakPolarHBondContact O-CA 3.25Å; L151-I192 WeakPolarHBondContact O-CG1 3.25Å; L151-I192 PolarHBondContact O-N 3.5Å
152V98.9Very high93.6Very high0 Ų044.2 Ų44.20%023%0.228CC..EExtended strand (participates in β ladder)trans-117115.8174.5-174.10000108.1I109 M131 T132 F133 R154 I192 L231I109-V152 HydrophobicContact CD1-CG2 4.39Å; M131-V152 PolarHBondContact O-N 2.9Å; T132-V152 CarbonylContact C-O 3.5Å; T132-V152 VanDerWaalsContact CA-O 3.22Å; T132-V152 WeakPolarHBondContact CA-O 3.49Å; T132-V152 HydrophobicContact CG2-CB 4.19Å; F133-V152 PolarHBondContact N-O 2.84Å; V152-R154 PolarHBondContact O-N 3.17Å; V152-I192 HydrophobicContact CG2-CD1 4.38Å; V152-I192 HydrophobicContact CG2-CG1 4.17Å; V152-L231 HydrophobicContact CG2-CD2 3.74Å
153L98.9Very high92.8Very high0 Ų047.5 Ų47.50%025%0.248CC..EExtended strand (participates in β ladder)trans-76.4116.2-178.617455.8000109.6F133 I155 A172 C177 L180 L181 V191 G193 V194 S195 I218F133-L153 HydrophobicContact CD2-CD1 4.42Å; F133-L153 HydrophobicContact CE1-CB 3.76Å; F133-L153 HydrophobicContact CE1-CD1 4.21Å; F133-L153 HydrophobicContact CE2-CD1 3.89Å; F133-L153 HydrophobicContact CZ-CB 3.93Å; F133-L153 HydrophobicContact CZ-CD1 3.78Å; F133-L153 HydrophobicContact CZ-CG 4.32Å; L153-I155 HydrophobicContact CG-CG2 4.43Å; L153-A172 HydrophobicContact CD1-CB 4.26Å; L153-C177 HydrophobicContact CD2-CB 3.95Å; L153-L180 HydrophobicContact CD1-CD1 3.78Å; L153-L181 HydrophobicContact CD2-CD2 4.1Å; L153-L181 HydrophobicContact CD2-CG 4.21Å; L153-V191 HydrophobicContact CB-CG1 4.44Å; L153-G193 PolarHBondContact N-O 3.47Å; L153-V194 CarbonylContact O-C 3.49Å; L153-V194 VanDerWaalsContact O-CA 3.28Å; L153-V194 WeakPolarHBondContact O-CA 3.46Å; L153-V194 WeakPolarHBondContact O-CG1 3.49Å; L153-S195 PolarHBondContact O-N 3.15Å; L153-I218 HydrophobicContact CD2-CG2 3.95Å
154R98.9Very high92Very high19 Ų1946.6 Ų46.67%0.07224%0.239CC..EExtended strand (participates in β ladder)trans-83.5125.4175.5-173.9177.5175.2157.8-1.4110.5F133 D134 V152 G171 A172 S195F133-R154 PolarHBondContact O-N 2.88Å; D134-R154 HydrophobicContact CB-CB 4.4Å; V152-R154 PolarHBondContact O-N 3.17Å; R154-G171 WeakPolarHBondContact O-CA 3.07Å; R154-A172 PolarHBondContact O-N 2.98Å; R154-S195 CarbonylContact C-O 3.59Å; R154-S195 VanDerWaalsContact CA-O 3.26Å; R154-S195 WeakPolarHBondContact CA-O 3.42Å; R154-S195 WeakPolarHBondContact CB-OG 3.37Å
155I98.4Very high91.5Very high4 Ų444.1 Ų44.12%0.02123%0.23CC..BIsolated β-bridgetrans-103.3153.5177.564.8172.2000112.1L153 A172 V194 S195 F196 D214 A215 I218L153-I155 HydrophobicContact CG-CG2 4.43Å; I155-A172 WeakPolarHBondContact CA-O 3.49Å; I155-V194 HydrophobicContact CD1-CG1 4.05Å; I155-V194 HydrophobicContact CG1-CG1 4.07Å; I155-V194 HydrophobicContact CG2-CG1 3.9Å; I155-S195 PolarHBondContact N-O 3.21Å; I155-F196 HydrophobicContact CD1-CB 4.49Å; I155-F196 HydrophobicContact CG1-CB 3.81Å; I155-D214 HydrophobicContact CD1-CB 3.94Å; I155-A215 HydrophobicContact CD1-CB 4.21Å; I155-I218 HydrophobicContact CG2-CG1 4.17Å
156A95.8Very high90.9Very high31 Ų3145.7 Ų45.726%0.25624%0.237SC..PPolyproline II helixtrans-72147.1173.800000111.3A172A156-A172 PolarHBondContact N-O 2.68Å
157T92.1Very high90.3Very high14 Ų1446.8 Ų46.89%0.08625%0.245CC..  trans-120.9163.4176.357.60000110.7D159 S167 F196 H197 A211T157-D159 PolarHBondContact O-N 3.1Å; T157-S167 PolarHBondContact N-OG 2.72Å; T157-S167 VanDerWaalsContact N-OG 3.1Å; T157-S167 WeakPolarHBondContact O-CB 3.49Å; T157-S167 PolarHBondContact O-OG 3.43Å; T157-S167 PolarHBondContact OG1-OG 3.07Å; T157-F196 HydrophobicContact CG2-CB 3.69Å; T157-F196 HydrophobicContact CG2-CD2 4.14Å; T157-F196 HydrophobicContact CG2-CG 4.23Å; T157-H197 WeakPolarHBondContact CG2-O 3.34Å; T157-H197 PolarHBondContact OG1-O 2.98Å; T157-A211 HydrophobicContact CG2-CB 3.96Å
158D88.2Confident89.9Confident81 Ų8146.5 Ų46.543%0.43325%0.248SC..  trans-8290165.8-176.80.4000109.5S160 T207D158-S160 VanDerWaalsContact C-N 3.31Å; D158-S160 WeakPolarHBondContact OD1-CB 3.1Å; D158-S160 PolarHBondContact OD1-N 3.23Å; D158-S160 PolarHBondContact OD1-OG 3.36Å; D158-T207 WeakPolarHBondContact O-CG2 3.42Å
159D82.8Confident89.8Confident17 Ų1748.8 Ų48.89%0.09125%0.253CS..  trans-94.518.7179.666.10.2000112.8T157 K161 A162 R165 L166 S167 V198T157-D159 PolarHBondContact O-N 3.1Å; D159-K161 PolarHBondContact O-N 2.86Å; D159-K161 VanDerWaalsContact O-N 3.08Å; D159-A162 HydrophobicContact CB-CB 4.23Å; D159-A162 WeakPolarHBondContact O-CB 3.48Å; D159-A162 PolarHBondContact O-N 3.46Å; D159-R165 WeakPolarHBondContact O-CG 3.22Å; D159-R165 VanDerWaalsContact OD2-CA 3.25Å; D159-R165 WeakPolarHBondContact OD2-CA 3.44Å; D159-R165 WeakPolarHBondContact OD2-CB 3.41Å; D159-L166 PolarHBondContact OD2-N 2.92Å; D159-S167 WeakPolarHBondContact OD2-CB 3.26Å; D159-S167 PolarHBondContact OD2-N 3.49Å; D159-S167 PolarHBondContact OD2-OG 3.41Å; D159-V198 WeakPolarHBondContact CB-O 3.44Å
160S82.5Confident89.6Confident51 Ų5150.1 Ų50.136%0.35726%0.258SS..THydrogen-bonded Turntrans-57.3-28.2-178.358.60000113.5D158 R165D158-S160 VanDerWaalsContact C-N 3.31Å; D158-S160 WeakPolarHBondContact OD1-CB 3.1Å; D158-S160 PolarHBondContact OD1-N 3.23Å; D158-S160 PolarHBondContact OD1-OG 3.36Å; S160-R165 PolarHBondContact O-NE 3.1Å; S160-R165 PolarHBondContact O-NH2 3.42Å
161K80.4Confident89.5Confident108 Ų10847.3 Ų47.347%0.4725%0.249SC..THydrogen-bonded Turntrans-101.28.7179.2-61.6-178.2-177175.60114.2D159 T203 D204D159-K161 PolarHBondContact O-N 2.86Å; D159-K161 VanDerWaalsContact O-N 3.08Å; K161-T203 PolarHBondContact O-N 3.44Å; K161-T203 PolarHBondContact O-OG1 3.49Å; K161-D204 HydrophobicContact CB-CB 4.3Å; K161-D204 HydrophobicContact CD-CB 3.53Å; K161-D204 WeakPolarHBondContact CD-OD2 3.49Å; K161-D204 IonicContact NZ-OD2 3.87Å; K161-D204 PolarHBondContact NZ-OD2 2.9Å
162A81.6Confident89.4Confident10 Ų1047.4 Ų47.48%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-87.8146.4171.500000111D159D159-A162 HydrophobicContact CB-CB 4.23Å; D159-A162 WeakPolarHBondContact O-CB 3.48Å; D159-A162 PolarHBondContact O-N 3.46Å
163V80.8Confident89.3Confident69 Ų6950.4 Ų50.442%0.41827%0.27SS..EExtended strand (participates in β ladder)trans-62.2-48.2172.8175.10000110.5S200 G201 H334V163-S200 WeakPolarHBondContact CB-O 3.5Å; V163-S200 PolarHBondContact N-O 3.26Å; V163-S200 VanDerWaalsContact N-O 3.08Å; V163-G201 PolarHBondContact N-O 2.65Å; V163-H334 HydrophobicContact CG1-CB 3.62Å
164C82.4Confident89.1Confident19 Ų1953.8 Ų53.813%0.12829%0.288CS..EExtended strand (participates in β ladder)trans-110.6112.6174-600000111.1G199 S200C164-G199 WeakPolarHBondContact O-CA 3.2Å; C164-S200 PolarHBondContact N-O 2.83Å; C164-S200 VanDerWaalsContact N-O 3.08Å; C164-S200 PolarHBondContact O-N 2.86Å
165R85.9Confident88.9Confident151 Ų15162.1 Ų62.157%0.5732%0.324SS*.  trans-84.3131.5178.7-57.3-167.4-176.5159.7-0.7111.6D159 S160D159-R165 WeakPolarHBondContact O-CG 3.22Å; D159-R165 VanDerWaalsContact OD2-CA 3.25Å; D159-R165 WeakPolarHBondContact OD2-CA 3.44Å; D159-R165 WeakPolarHBondContact OD2-CB 3.41Å; S160-R165 PolarHBondContact O-NE 3.1Å; S160-R165 PolarHBondContact O-NH2 3.42Å
166L84.2Confident88.9Confident51 Ų5163.8 Ų63.827%0.26734%0.339SS..  trans-118.4-24.9-177.5-58-178.8000112.9D159 V168 K169 F170 H197D159-L166 PolarHBondContact OD2-N 2.92Å; L166-V168 PolarHBondContact O-N 3.36Å; L166-K169 PolarHBondContact O-N 2.97Å; L166-F170 PolarHBondContact O-N 2.84Å; L166-H197 HydrophobicContact CD1-CB 4.44Å; L166-H197 WeakPolarHBondContact CD1-ND1 3.09Å
167S84.6Confident89Confident27 Ų2762.3 Ų62.319%0.18933%0.327CS..THydrogen-bonded Turntrans-66.8-20.5-175.3-70.10000113.5T157 D159 K169 F170T157-S167 PolarHBondContact N-OG 2.72Å; T157-S167 VanDerWaalsContact N-OG 3.1Å; T157-S167 WeakPolarHBondContact O-CB 3.49Å; T157-S167 PolarHBondContact O-OG 3.43Å; T157-S167 PolarHBondContact OG1-OG 3.07Å; D159-S167 WeakPolarHBondContact OD2-CB 3.26Å; D159-S167 PolarHBondContact OD2-N 3.49Å; D159-S167 PolarHBondContact OD2-OG 3.41Å; S167-K169 PolarHBondContact O-N 2.82Å; S167-F170 CarbonylContact C-O 3.55Å; S167-F170 VanDerWaalsContact CA-O 3.26Å; S167-F170 WeakPolarHBondContact CA-O 3.48Å
168V82.9Confident89.3Confident135 Ų13567 Ų6782%0.81834%0.343SS*.THydrogen-bonded Turntrans-65.2-27.7171.268.40000112.4L166L166-V168 PolarHBondContact O-N 3.36Å
169K90.2Very high89.8Confident158 Ų15865 Ų6569%0.68734%0.341SS*.THydrogen-bonded Turntrans-105.7-33.6-175.8-175.2177.1177.9-178.10112.7L166 S167L166-K169 PolarHBondContact O-N 2.97Å; S167-K169 PolarHBondContact O-N 2.82Å
170F94.4Very high90.5Very high34 Ų3464.9 Ų64.915%0.14934%0.34CS..SBendtrans-133.9157.8-171.5-60-60.8000112.3P113 C114 D134 L166 S167P113-F170 HydrophobicContact CB-CD1 4.11Å; P113-F170 HydrophobicContact CG-CB 4.43Å; P113-F170 HydrophobicContact CG-CD1 3.82Å; P113-F170 HydrophobicContact CG-CE1 4.31Å; P113-F170 HydrophobicContact CG-CG 4.24Å; C114-F170 HydrophobicContact CB-CE1 4.46Å; D134-F170 WeakPolarHBondContact OD2-CA 3.29Å; L166-F170 PolarHBondContact O-N 2.84Å; S167-F170 CarbonylContact C-O 3.55Å; S167-F170 VanDerWaalsContact CA-O 3.26Å; S167-F170 WeakPolarHBondContact CA-O 3.48Å
171G96.3Very high91.3Very high14 Ų1462.5 Ų62.514%0.14432%0.323CS..  trans97.3125.7175.300000112.3D134 R154D134-G171 PolarHBondContact OD2-N 2.9Å; R154-G171 WeakPolarHBondContact O-CA 3.07Å
172A97.6Very high92.2Very high3 Ų360.5 Ų60.53%0.02532%0.316CS..BIsolated β-bridgetrans-73.2133175.500000109.8D134 L153 R154 I155 A156 L180D134-A172 HydrophobicContact CB-CB 4.44Å; L153-A172 HydrophobicContact CD1-CB 4.26Å; R154-A172 PolarHBondContact O-N 2.98Å; I155-A172 WeakPolarHBondContact CA-O 3.49Å; A156-A172 PolarHBondContact N-O 2.68Å; A172-L180 HydrophobicContact CB-CD1 3.63Å
173P96.4Very high93Very high63 Ų6363.1 Ų63.141%0.40932%0.324SS..  trans-64.6147169.628.4-33.7000109.3K175 A176 C177P173-K175 HydrophobicContact CB-CG 4.25Å; P173-K175 HydrophobicContact CG-CG 4.31Å; P173-K175 PolarHBondContact O-N 3.43Å; P173-A176 HydrophobicContact CG-CB 3.88Å; P173-A176 WeakPolarHBondContact O-CB 3.31Å; P173-A176 PolarHBondContact O-N 2.98Å; P173-C177 PolarHBondContact O-N 2.99Å; P173-C177 PolarHBondContact O-SG 3.31Å; P173-C177 VanDerWaalsContact O-SG 3.4Å
174L94Very high93.9Very high70 Ų7059.9 Ų59.937%0.36630%0.304SS..Hα-helixtrans-48.8-42.3-175.2-16476.5000112.9A176 C177 D214 I218L174-A176 PolarHBondContact O-N 3.46Å; L174-C177 WeakPolarHBondContact O-CB 3.23Å; L174-C177 PolarHBondContact O-N 3.15Å; L174-C177 VanDerWaalsContact O-N 3.15Å; L174-D214 HydrophobicContact CD1-CB 4.24Å; L174-I218 HydrophobicContact CD1-CD1 3.42Å; L174-I218 VanDerWaalsContact CD1-CD1 3.42Å; L174-I218 HydrophobicContact CD1-CG1 3.83Å; L174-I218 HydrophobicContact CG-CD1 4.25Å
175K95.8Very high94.6Very high194 Ų19463.6 Ų63.684%0.84332%0.318SS*.Hα-helixtrans-60.1-24.4177.767.1179-179.4-179.80115.2P173P173-K175 HydrophobicContact CB-CG 4.25Å; P173-K175 HydrophobicContact CG-CG 4.31Å; P173-K175 PolarHBondContact O-N 3.43Å
176A97.1Very high95.2Very high40 Ų4062.9 Ų62.933%0.33132%0.321SS..Hα-helixtrans-92.7-18.7179.900000112.6P173 L174 R178 G179 L180P173-A176 HydrophobicContact CG-CB 3.88Å; P173-A176 WeakPolarHBondContact O-CB 3.31Å; P173-A176 PolarHBondContact O-N 2.98Å; L174-A176 PolarHBondContact O-N 3.46Å; A176-R178 PolarHBondContact O-N 3.12Å; A176-G179 PolarHBondContact O-N 2.84Å; A176-L180 PolarHBondContact O-N 3.27Å
177C98.3Very high95.9Very high0 Ų063 Ų630%032%0.321CS..Hα-helixtrans-62.4-40.9-171.7-66.30000112.5L153 P173 L174 G179 L180 L181 I218L153-C177 HydrophobicContact CD2-CB 3.95Å; P173-C177 PolarHBondContact O-N 2.99Å; P173-C177 PolarHBondContact O-SG 3.31Å; P173-C177 VanDerWaalsContact O-SG 3.4Å; L174-C177 WeakPolarHBondContact O-CB 3.23Å; L174-C177 PolarHBondContact O-N 3.15Å; L174-C177 VanDerWaalsContact O-N 3.15Å; C177-G179 PolarHBondContact O-N 2.99Å; C177-L180 WeakPolarHBondContact O-CB 3.11Å; C177-L180 PolarHBondContact O-N 2.76Å; C177-L181 WeakPolarHBondContact O-CG 3.12Å; C177-L181 PolarHBondContact O-N 2.96Å; C177-I218 HydrophobicContact CB-CD1 3.35Å; C177-I218 HydrophobicContact CB-CG1 4.15Å
178R98.6Very high96.5Very high113 Ų11365 Ų6543%0.42635%0.347SS..Hα-helixtrans-58.3-46.5177.4-168174.4-162.5-100.76.7112.4A176 L180 L181 E182 M221 E224A176-R178 PolarHBondContact O-N 3.12Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.13Å; R178-L181 PolarHBondContact O-N 3.42Å; R178-E182 IonicContact CZ-OE1 2.76Å; R178-E182 IonicContact NE-OE1 3.8Å; R178-E182 IonicContact NH1-OE1 2.72Å; R178-E182 PolarHBondContact NH1-OE1 3.2Å; R178-E182 WeakPolarHBondContact O-CG 3.4Å; R178-E182 PolarHBondContact O-N 2.78Å; R178-M221 HydrophobicContact CB-SD 4.01Å; R178-E224 IonicContact NH2-OE2 2.73Å
179G98.7Very high97.2Very high37 Ų3759.5 Ų59.538%0.38131%0.312SS..Hα-helixtrans-63.6-34.9178.100000112.8A176 C177 R183A176-G179 PolarHBondContact O-N 2.84Å; C177-G179 PolarHBondContact O-N 2.99Å; G179-R183 VanDerWaalsContact O-CB 3.27Å; G179-R183 WeakPolarHBondContact O-CB 3.47Å; G179-R183 PolarHBondContact O-N 3.23Å
180L98.8Very high97.6Very high16 Ų1654.7 Ų54.78%0.08429%0.294CS..Hα-helixtrans-66.5-41.3173.8-68.9175.6000112.3F133 E136 L139 L153 A172 A176 C177 R178 R183 A184F133-L180 HydrophobicContact CE2-CB 4.17Å; E136-L180 HydrophobicContact CB-CD2 4.21Å; E136-L180 VanDerWaalsContact N-CD2 3.33Å; L139-L180 HydrophobicContact CD1-CD2 4.5Å; L139-L180 WeakPolarHBondContact CD1-O 3.31Å; L153-L180 HydrophobicContact CD1-CD1 3.78Å; A172-L180 HydrophobicContact CB-CD1 3.63Å; A176-L180 PolarHBondContact O-N 3.27Å; C177-L180 WeakPolarHBondContact O-CB 3.11Å; C177-L180 PolarHBondContact O-N 2.76Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.13Å; L180-R183 PolarHBondContact O-N 3Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.68Å
181L98.9Very high97.9Very high0 Ų053.1 Ų53.10%029%0.287CS..Hα-helixtrans-66.7-42.6177.1-67.3176000112.1L153 C177 R178 R183 A184 K185 V191 I218 M221 L225 Y227 M229L153-L181 HydrophobicContact CD2-CD2 4.1Å; L153-L181 HydrophobicContact CD2-CG 4.21Å; C177-L181 WeakPolarHBondContact O-CG 3.12Å; C177-L181 PolarHBondContact O-N 2.96Å; R178-L181 PolarHBondContact O-N 3.42Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-A184 PolarHBondContact O-N 2.75Å; L181-K185 PolarHBondContact O-N 3.07Å; L181-K185 VanDerWaalsContact O-N 3.12Å; L181-V191 HydrophobicContact CD2-CB 4.2Å; L181-V191 HydrophobicContact CD2-CG1 3.84Å; L181-V191 HydrophobicContact CD2-CG2 4.27Å; L181-I218 HydrophobicContact CD1-CG2 4.13Å; L181-M221 HydrophobicContact CD1-CB 4.03Å; L181-L225 HydrophobicContact CB-CD1 3.5Å; L181-L225 HydrophobicContact CD1-CD1 4.4Å; L181-Y227 HydrophobicContact CB-CE2 4.06Å; L181-Y227 HydrophobicContact CD2-CE2 4.27Å; L181-Y227 WeakPolarHBondContact O-CE2 3.46Å; L181-Y227 PolarHBondContact O-OH 3.31Å; L181-M229 HydrophobicContact CD1-CE 4.16Å; L181-M229 HydrophobicContact CD2-CE 3.52Å
182E98.8Very high98Very high66 Ų6653.2 Ų53.231%0.30829%0.285SS..Hα-helixtrans-58.2-48.2173.1-73168.4175.300110.5R178 A184 K185 E186 L225R178-E182 IonicContact CZ-OE1 2.76Å; R178-E182 IonicContact NE-OE1 3.8Å; R178-E182 IonicContact NH1-OE1 2.72Å; R178-E182 PolarHBondContact NH1-OE1 3.2Å; R178-E182 WeakPolarHBondContact O-CG 3.4Å; R178-E182 PolarHBondContact O-N 2.78Å; E182-A184 PolarHBondContact O-N 2.97Å; E182-K185 VanDerWaalsContact O-CB 3.32Å; E182-K185 WeakPolarHBondContact O-CB 3.3Å; E182-K185 PolarHBondContact O-N 3.27Å; E182-E186 WeakPolarHBondContact O-CG 3.45Å; E182-E186 PolarHBondContact O-N 2.81Å; E182-L225 HydrophobicContact CG-CD1 3.94Å; E182-L225 HydrophobicContact CG-CD2 3.86Å
183R98.8Very high98Very high66 Ų6653.1 Ų53.125%0.24928%0.283CS..Hα-helixtrans-64.3-39.1-179.7-172.154.4172.4145.98.7113.2E136 L139 G179 L180 L181 K185 E186 L187E136-R183 HydrophobicContact CG-CG 3.91Å; E136-R183 IonicContact OE1-CZ 2.6Å; E136-R183 IonicContact OE1-NE 3.13Å; E136-R183 PolarHBondContact OE1-NE 2.91Å; E136-R183 IonicContact OE1-NH2 2.69Å; L139-R183 HydrophobicContact CD1-CB 4.1Å; L139-R183 HydrophobicContact CD1-CG 4.12Å; G179-R183 VanDerWaalsContact O-CB 3.27Å; G179-R183 WeakPolarHBondContact O-CB 3.47Å; G179-R183 PolarHBondContact O-N 3.23Å; L180-R183 PolarHBondContact O-N 3Å; L181-R183 VanDerWaalsContact C-N 3.34Å; R183-K185 PolarHBondContact O-N 3.45Å; R183-E186 VanDerWaalsContact CD-OE2 3.23Å; R183-E186 WeakPolarHBondContact CD-OE2 3.35Å; R183-E186 IonicContact CZ-OE2 3.77Å; R183-E186 IonicContact NE-OE2 2.85Å; R183-E186 IonicContact NH1-OE2 3.94Å; R183-E186 PolarHBondContact NH1-OE2 3.31Å; R183-E186 PolarHBondContact O-N 3Å; R183-L187 HydrophobicContact CG-CD1 4.28Å; R183-L187 WeakPolarHBondContact O-CG 3.18Å; R183-L187 PolarHBondContact O-N 2.68Å; R183-L187 VanDerWaalsContact O-N 3.15Å
184A98.6Very high98.2Very high0 Ų050.1 Ų50.10%026%0.264CS..Hα-helixtrans-61.3-36.2173.700000111.3L139 L180 L181 E182 L187 G188 L189 V191 Y227L139-A184 HydrophobicContact CD1-CB 3.98Å; L139-A184 HydrophobicContact CD2-CB 3.88Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.68Å; L181-A184 PolarHBondContact O-N 2.75Å; E182-A184 PolarHBondContact O-N 2.97Å; A184-L187 PolarHBondContact O-N 3.16Å; A184-G188 PolarHBondContact O-N 2.82Å; A184-L189 HydrophobicContact CB-CB 4.27Å; A184-L189 PolarHBondContact O-N 2.94Å; A184-V191 HydrophobicContact CB-CG2 3.63Å; A184-Y227 VanDerWaalsContact C-OH 3.3Å; A184-Y227 VanDerWaalsContact CB-OH 3.28Å; A184-Y227 WeakPolarHBondContact CB-OH 3.49Å
185K98.2Very high98.4Very high98 Ų9846.9 Ų46.943%0.42625%0.247SC..Hα-helixtrans-69.1-44.2-179.9-160.971.5170.5-169.80111.1L181 E182 R183 L187 G188 L225 G226 Y227L181-K185 PolarHBondContact O-N 3.07Å; L181-K185 VanDerWaalsContact O-N 3.12Å; E182-K185 VanDerWaalsContact O-CB 3.32Å; E182-K185 WeakPolarHBondContact O-CB 3.3Å; E182-K185 PolarHBondContact O-N 3.27Å; R183-K185 PolarHBondContact O-N 3.45Å; K185-L187 PolarHBondContact O-N 3.09Å; K185-G188 PolarHBondContact O-N 3.04Å; K185-L225 WeakPolarHBondContact CE-O 3.33Å; K185-L225 PolarHBondContact NZ-O 3.32Å; K185-G226 PolarHBondContact NZ-O 3.22Å; K185-Y227 WeakPolarHBondContact CA-OH 3.42Å; K185-Y227 WeakPolarHBondContact CB-OH 3.27Å; K185-Y227 HydrophobicContact CD-CE1 4.14Å; K185-Y227 HydrophobicContact CD-CE2 4.23Å; K185-Y227 PolarHBondContact N-OH 3.1Å
186E98.4Very high98.5Very high136 Ų13637.7 Ų37.764%0.63621%0.207SC*.Hα-helixtrans-58.1-35.8174.3-68.4174.9176.700112.7E182 R183 G188E182-E186 WeakPolarHBondContact O-CG 3.45Å; E182-E186 PolarHBondContact O-N 2.81Å; R183-E186 VanDerWaalsContact CD-OE2 3.23Å; R183-E186 WeakPolarHBondContact CD-OE2 3.35Å; R183-E186 IonicContact CZ-OE2 3.77Å; R183-E186 IonicContact NE-OE2 2.85Å; R183-E186 IonicContact NH1-OE2 3.94Å; R183-E186 PolarHBondContact NH1-OE2 3.31Å; R183-E186 PolarHBondContact O-N 3Å; E186-G188 VanDerWaalsContact C-N 3.28Å
187L98.1Very high98.5Very high53 Ų5336.7 Ų36.728%0.27720%0.196SC..THydrogen-bonded Turntrans-83-2178.2-67.2171.8000113.3L139 A143 R183 A184 K185 L189L139-L187 HydrophobicContact CB-CD1 3.8Å; A143-L187 HydrophobicContact CB-CB 4.36Å; R183-L187 HydrophobicContact CG-CD1 4.28Å; R183-L187 WeakPolarHBondContact O-CG 3.18Å; R183-L187 PolarHBondContact O-N 2.68Å; R183-L187 VanDerWaalsContact O-N 3.15Å; A184-L187 PolarHBondContact O-N 3.16Å; K185-L187 PolarHBondContact O-N 3.09Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 HydrophobicContact CB-CD1 3.96Å; L187-L189 HydrophobicContact CB-CG 4.03Å; L187-L189 HydrophobicContact CD1-CD1 4.17Å; L187-L189 PolarHBondContact O-N 3.17Å
188G97.9Very high98.2Very high70 Ų7036.7 Ų36.772%0.72220%0.196SC*.THydrogen-bonded Turntrans68.424.7-177.800000114A184 K185 E186A184-G188 PolarHBondContact O-N 2.82Å; K185-G188 PolarHBondContact O-N 3.04Å; E186-G188 VanDerWaalsContact C-N 3.28Å
189L98.4Very high97.4Very high18 Ų1831.3 Ų31.39%0.09418%0.176CC..  trans-87.8148.2179.8-65.8169.9000111.3L139 V142 A143 L151 A184 L187L139-L189 HydrophobicContact CB-CD1 3.94Å; L139-L189 HydrophobicContact CD2-CD1 3.7Å; L139-L189 HydrophobicContact CG-CD1 4.44Å; V142-L189 HydrophobicContact CG1-CD2 3.91Å; A143-L189 HydrophobicContact CB-CD1 4.21Å; A143-L189 HydrophobicContact CB-CD2 4.21Å; A143-L189 HydrophobicContact CB-CG 4.39Å; L151-L189 HydrophobicContact CD1-CB 3.99Å; L151-L189 HydrophobicContact CD1-CD1 3.97Å; L151-L189 HydrophobicContact CD1-CG 4.4Å; A184-L189 HydrophobicContact CB-CB 4.27Å; A184-L189 PolarHBondContact O-N 2.94Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 HydrophobicContact CB-CD1 3.96Å; L187-L189 HydrophobicContact CB-CG 4.03Å; L187-L189 HydrophobicContact CD1-CD1 4.17Å; L187-L189 PolarHBondContact O-N 3.17Å
190D98.5Very high96.5Very high58 Ų5830.1 Ų30.131%0.3116%0.161SC..EExtended strand (participates in β ladder)trans-99109.4179.7-169.419.8000110.9K150 L151K150-D190 HydrophobicContact CD-CB 4.33Å; K150-D190 VanDerWaalsContact CD-OD2 3.31Å; K150-D190 WeakPolarHBondContact CD-OD2 3.24Å; K150-D190 WeakPolarHBondContact CE-OD2 3.26Å; K150-D190 IonicContact NZ-OD2 3.87Å; K150-D190 PolarHBondContact NZ-OD2 2.64Å; L151-D190 WeakPolarHBondContact CB-O 3.48Å; L151-D190 PolarHBondContact N-O 3.45Å
191V98.9Very high95.4Very high0 Ų030.5 Ų30.50%017%0.169CC..EExtended strand (participates in β ladder)trans-97.6112.8174-171.70000108.2F133 L151 L153 L181 A184 Y227 M229F133-V191 HydrophobicContact CE1-CG1 4.2Å; F133-V191 HydrophobicContact CE1-CG2 4.24Å; F133-V191 HydrophobicContact CZ-CG2 4.25Å; L151-V191 HydrophobicContact CB-CG2 4.26Å; L151-V191 CarbonylContact O-C 3.5Å; L151-V191 WeakPolarHBondContact O-CA 3.25Å; L153-V191 HydrophobicContact CB-CG1 4.44Å; L181-V191 HydrophobicContact CD2-CB 4.2Å; L181-V191 HydrophobicContact CD2-CG1 3.84Å; L181-V191 HydrophobicContact CD2-CG2 4.27Å; A184-V191 HydrophobicContact CB-CG2 3.63Å; V191-Y227 HydrophobicContact CB-CD1 3.98Å; V191-Y227 HydrophobicContact CB-CE1 3.82Å; V191-Y227 HydrophobicContact CG2-CE1 3.89Å; V191-Y227 WeakPolarHBondContact O-CD1 3.41Å; V191-M229 HydrophobicContact CB-CE 4.35Å; V191-M229 HydrophobicContact CG1-CE 3.83Å
192I98.8Very high94.5Very high17 Ų1731 Ų319%0.08717%0.172CC..EExtended strand (participates in β ladder)trans-100.4-7.7-172.261.9155.2000113.4M130 K150 L151 V152 M229 D230 L231M130-I192 HydrophobicContact CG-CD1 4.23Å; M130-I192 HydrophobicContact SD-CD1 4.38Å; K150-I192 HydrophobicContact CB-CD1 3.7Å; K150-I192 HydrophobicContact CB-CG1 3.99Å; K150-I192 HydrophobicContact CB-CG2 4.03Å; K150-I192 HydrophobicContact CD-CG2 3.92Å; K150-I192 HydrophobicContact CG-CG2 4.39Å; L151-I192 WeakPolarHBondContact O-CG1 3.25Å; L151-I192 PolarHBondContact O-N 3.5Å; V152-I192 HydrophobicContact CG2-CD1 4.38Å; V152-I192 HydrophobicContact CG2-CG1 4.17Å; I192-M229 CarbonylContact O-C 3.52Å; I192-M229 VanDerWaalsContact O-CA 3.24Å; I192-M229 WeakPolarHBondContact O-CA 3.25Å; I192-M229 WeakPolarHBondContact O-CB 3.26Å; I192-D230 PolarHBondContact O-N 2.98Å; I192-L231 HydrophobicContact CD1-CB 4.15Å; I192-L231 HydrophobicContact CD1-CD2 3.76Å; I192-L231 PolarHBondContact O-N 2.94Å
193G98.8Very high93.8Very high0 Ų031.8 Ų31.80%018%0.182CC..EExtended strand (participates in β ladder)trans179.3-176.5-17000000116.1L153 L231L153-G193 PolarHBondContact N-O 3.47Å; G193-L231 CarbonylContact C-O 3.56Å; G193-L231 WeakPolarHBondContact CA-O 3.44Å
194V98.9Very high93.3Very high0 Ų030.6 Ų30.60%018%0.18CC..EExtended strand (participates in β ladder)trans-128.2139.6-179-178.70000109.2L153 I155 A215 I218 F219 M229 L231 D233L153-V194 CarbonylContact O-C 3.49Å; L153-V194 VanDerWaalsContact O-CA 3.28Å; L153-V194 WeakPolarHBondContact O-CA 3.46Å; L153-V194 WeakPolarHBondContact O-CG1 3.49Å; I155-V194 HydrophobicContact CD1-CG1 4.05Å; I155-V194 HydrophobicContact CG1-CG1 4.07Å; I155-V194 HydrophobicContact CG2-CG1 3.9Å; V194-A215 HydrophobicContact CB-CB 4.26Å; V194-A215 HydrophobicContact CG1-CB 3.82Å; V194-I218 HydrophobicContact CG2-CB 3.88Å; V194-I218 HydrophobicContact CG2-CG2 3.52Å; V194-F219 HydrophobicContact CB-CD2 4.22Å; V194-F219 HydrophobicContact CB-CE2 3.85Å; V194-F219 HydrophobicContact CG2-CD2 3.65Å; V194-F219 HydrophobicContact CG2-CE2 3.71Å; V194-M229 HydrophobicContact CG2-SD 4.26Å; V194-L231 PolarHBondContact N-O 2.84Å; V194-D233 PolarHBondContact O-N 2.85Å
195S98.9Very high93Very high3 Ų331.1 Ų31.12%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-122.1156.6168.773.50000112.1L153 R154 I155 D233L153-S195 PolarHBondContact O-N 3.15Å; R154-S195 CarbonylContact C-O 3.59Å; R154-S195 VanDerWaalsContact CA-O 3.26Å; R154-S195 WeakPolarHBondContact CA-O 3.42Å; R154-S195 WeakPolarHBondContact CB-OG 3.37Å; I155-S195 PolarHBondContact N-O 3.21Å; S195-D233 CarbonylContact C-O 3.59Å; S195-D233 WeakPolarHBondContact CA-O 3.29Å
196F98.4Very high92.7Very high1 Ų131.7 Ų31.70%0.00419%0.189CC..  trans-146.5169.5167.861.7-102.3000110.5I155 T157 V198 Y208 A211 I212 A215 L232 D233 I234 G235I155-F196 HydrophobicContact CD1-CB 4.49Å; I155-F196 HydrophobicContact CG1-CB 3.81Å; T157-F196 HydrophobicContact CG2-CB 3.69Å; T157-F196 HydrophobicContact CG2-CD2 4.14Å; T157-F196 HydrophobicContact CG2-CG 4.23Å; F196-V198 HydrophobicContact CD2-CG1 4.11Å; F196-V198 HydrophobicContact CE2-CG1 4.03Å; F196-Y208 AromaticContact CE2-CD1 3.97Å; F196-Y208 HydrophobicContact CE2-CD1 3.97Å; F196-Y208 HydrophobicContact CE2-CE1 4.46Å; F196-A211 HydrophobicContact CB-CB 4.44Å; F196-A211 HydrophobicContact CD1-CB 3.88Å; F196-A211 HydrophobicContact CD2-CB 3.52Å; F196-A211 HydrophobicContact CE1-CB 3.91Å; F196-A211 HydrophobicContact CE2-CB 3.57Å; F196-A211 HydrophobicContact CG-CB 3.69Å; F196-A211 HydrophobicContact CZ-CB 3.76Å; F196-I212 HydrophobicContact CE1-CG1 3.99Å; F196-I212 HydrophobicContact CZ-CG1 3.71Å; F196-A215 HydrophobicContact CD1-CB 4.46Å; F196-L232 HydrophobicContact CE1-CD1 4.26Å; F196-D233 PolarHBondContact N-O 3.04Å; F196-D233 VanDerWaalsContact N-O 3.08Å; F196-I234 HydrophobicContact CE1-CB 4.29Å; F196-I234 HydrophobicContact CE1-CG2 4.05Å; F196-I234 HydrophobicContact CE2-CB 3.99Å; F196-I234 VanDerWaalsContact CE2-O 3.27Å; F196-I234 WeakPolarHBondContact CE2-O 3.39Å; F196-I234 HydrophobicContact CZ-CB 3.6Å; F196-I234 HydrophobicContact CZ-CG2 3.68Å; F196-I234 CarbonylContact O-C 3.58Å; F196-G235 WeakPolarHBondContact O-CA 3.4Å; F196-G235 PolarHBondContact O-N 3.07Å
197H96.9Very high92.5Very high19 Ų1925.7 Ų25.79%0.08816%0.162CC..  trans-143.4122.8172.4-168-64.2000108.5T157 L166 G199 G236T157-H197 WeakPolarHBondContact CG2-O 3.34Å; T157-H197 PolarHBondContact OG1-O 2.98Å; L166-H197 HydrophobicContact CD1-CB 4.44Å; L166-H197 WeakPolarHBondContact CD1-ND1 3.09Å; H197-G199 VanDerWaalsContact C-N 3.25Å; H197-G199 WeakPolarHBondContact ND1-CA 3.3Å; H197-G199 PolarHBondContact ND1-N 2.76Å; H197-G199 PolarHBondContact O-N 2.72Å; H197-G236 PolarHBondContact CD2-N 2.69Å
198V91.9Very high92.5Very high0 Ų023.2 Ų23.20%015%0.149CC..  trans-79.9-10.1-174.9-590000113.7D159 F196 C202 T207 Y208D159-V198 WeakPolarHBondContact CB-O 3.44Å; F196-V198 HydrophobicContact CD2-CG1 4.11Å; F196-V198 HydrophobicContact CE2-CG1 4.03Å; V198-C202 HydrophobicContact CG2-CB 3.8Å; V198-T207 HydrophobicContact CB-CG2 3.8Å; V198-T207 HydrophobicContact CG1-CG2 3.77Å; V198-Y208 HydrophobicContact CB-CE2 4.42Å; V198-Y208 HydrophobicContact CG1-CD1 3.79Å; V198-Y208 HydrophobicContact CG1-CD2 4.18Å; V198-Y208 HydrophobicContact CG1-CE1 3.89Å; V198-Y208 HydrophobicContact CG1-CE2 4.29Å; V198-Y208 HydrophobicContact CG1-CG 3.94Å; V198-Y208 HydrophobicContact CG2-CD1 4.42Å; V198-Y208 HydrophobicContact CG2-CD2 4.17Å; V198-Y208 HydrophobicContact CG2-CE1 3.77Å; V198-Y208 HydrophobicContact CG2-CE2 3.49Å; V198-Y208 VanDerWaalsContact CG2-CE2 3.49Å; V198-Y208 WeakPolarHBondContact CG2-OH 3.46Å
199G82.1Confident92.4Very high0 Ų021.4 Ų21.40%012%0.124CC..  trans111.5156.8178.300000111.3C164 H197 G237C164-G199 WeakPolarHBondContact O-CA 3.2Å; H197-G199 VanDerWaalsContact C-N 3.25Å; H197-G199 WeakPolarHBondContact ND1-CA 3.3Å; H197-G199 PolarHBondContact ND1-N 2.76Å; H197-G199 PolarHBondContact O-N 2.72Å; G199-G237 WeakPolarHBondContact O-CA 3.44Å
200S80.1Confident92.4Very high12 Ų1225.4 Ų25.48%0.08414%0.14CC..EExtended strand (participates in β ladder)trans-75.6134.1177.2-158.20000109.1V163 C164 R277V163-S200 WeakPolarHBondContact CB-O 3.5Å; V163-S200 PolarHBondContact N-O 3.26Å; V163-S200 VanDerWaalsContact N-O 3.08Å; C164-S200 PolarHBondContact N-O 2.83Å; C164-S200 VanDerWaalsContact N-O 3.08Å; C164-S200 PolarHBondContact O-N 2.86Å; S200-R277 PolarHBondContact OG-NH2 3.45Å
201G75.3Confident92.3Very high24 Ų2422.7 Ų22.725%0.24713%0.126CC..EExtended strand (participates in β ladder)trans65.945.9-17800000112.2V163 T203V163-G201 PolarHBondContact N-O 2.65Å; G201-T203 PolarHBondContact O-N 3.09Å
202C80.8Confident92.3Very high9 Ų922.7 Ų22.76%0.06113%0.126CC..EExtended strand (participates in β ladder)trans-63.5129.2175-173.20000109.7V198 D204V198-C202 HydrophobicContact CG2-CB 3.8Å; C202-D204 PolarHBondContact SG-O 2.83Å
203T82.4Confident92.3Very high84 Ų8422.8 Ų22.852%0.51513%0.13SC..  trans-102.83.1-179.857.20000113.2K161 G201K161-T203 PolarHBondContact O-N 3.44Å; K161-T203 PolarHBondContact O-OG1 3.49Å; G201-T203 PolarHBondContact O-N 3.09Å
204D88.7Confident92.3Very high40 Ų4024.2 Ų24.221%0.21414%0.137CC..  trans-133.6107.3179.9-174.4-1.6000111.1K161 C202 E206 T207K161-D204 HydrophobicContact CB-CB 4.3Å; K161-D204 HydrophobicContact CD-CB 3.53Å; K161-D204 WeakPolarHBondContact CD-OD2 3.49Å; K161-D204 IonicContact NZ-OD2 3.87Å; K161-D204 PolarHBondContact NZ-OD2 2.9Å; C202-D204 PolarHBondContact SG-O 2.83Å; D204-E206 PolarHBondContact O-N 3.33Å; D204-E206 WeakPolarHBondContact OD1-CB 3.16Å; D204-E206 PolarHBondContact OD1-N 3.08Å; D204-T207 WeakPolarHBondContact O-CB 3.03Å; D204-T207 PolarHBondContact O-N 3.08Å; D204-T207 PolarHBondContact O-OG1 3.2Å
205A91.6Very high92.3Very high12 Ų1224.2 Ų24.210%0.09914%0.137CC..THydrogen-bonded Turntrans-62.6-27.4-179.400000112.8T207 Y208 L246 I251 V254A205-T207 PolarHBondContact O-N 3.3Å; A205-Y208 WeakPolarHBondContact O-CB 3.46Å; A205-Y208 PolarHBondContact O-N 3.05Å; A205-L246 HydrophobicContact CB-CD2 4.36Å; A205-I251 HydrophobicContact CB-CG1 4.32Å; A205-V254 HydrophobicContact CB-CB 4.14Å; A205-V254 HydrophobicContact CB-CG1 4.33Å; A205-V254 HydrophobicContact CB-CG2 3.88Å
206E93.6Very high92.3Very high109 Ų10926.5 Ų26.551%0.50915%0.145SC..Hα-helixtrans-67.8-18.5-178.3-67.8-60.1158.600113.2D204 Y208 T209 K210D204-E206 PolarHBondContact O-N 3.33Å; D204-E206 WeakPolarHBondContact OD1-CB 3.16Å; D204-E206 PolarHBondContact OD1-N 3.08Å; E206-Y208 PolarHBondContact O-N 3.28Å; E206-T209 WeakPolarHBondContact O-CB 3.44Å; E206-T209 PolarHBondContact O-N 3.2Å; E206-T209 VanDerWaalsContact O-N 3.09Å; E206-T209 WeakPolarHBondContact OE2-CB 3.45Å; E206-T209 PolarHBondContact OE2-OG1 2.82Å; E206-K210 PolarHBondContact O-N 2.93Å
207T93.8Very high92.3Very high11 Ų1129 Ų297%0.06716%0.163CC..Hα-helixtrans-58.4-34.2171.2-60.10000111.3D158 V198 D204 A205 A211D158-T207 WeakPolarHBondContact O-CG2 3.42Å; V198-T207 HydrophobicContact CB-CG2 3.8Å; V198-T207 HydrophobicContact CG1-CG2 3.77Å; D204-T207 WeakPolarHBondContact O-CB 3.03Å; D204-T207 PolarHBondContact O-N 3.08Å; D204-T207 PolarHBondContact O-OG1 3.2Å; A205-T207 PolarHBondContact O-N 3.3Å; T207-A211 WeakPolarHBondContact O-CB 3.44Å; T207-A211 PolarHBondContact O-N 3.25Å
208Y96.9Very high92.4Very high0 Ų028.1 Ų28.10%016%0.158CC..Hα-helixtrans-67.1-44.5173.3-74.3-86.7000111.9F196 V198 A205 E206 K210 A211 I212 G236 F238 I251 I255F196-Y208 AromaticContact CE2-CD1 3.97Å; F196-Y208 HydrophobicContact CE2-CD1 3.97Å; F196-Y208 HydrophobicContact CE2-CE1 4.46Å; V198-Y208 HydrophobicContact CB-CE2 4.42Å; V198-Y208 HydrophobicContact CG1-CD1 3.79Å; V198-Y208 HydrophobicContact CG1-CD2 4.18Å; V198-Y208 HydrophobicContact CG1-CE1 3.89Å; V198-Y208 HydrophobicContact CG1-CE2 4.29Å; V198-Y208 HydrophobicContact CG1-CG 3.94Å; V198-Y208 HydrophobicContact CG2-CD1 4.42Å; V198-Y208 HydrophobicContact CG2-CD2 4.17Å; V198-Y208 HydrophobicContact CG2-CE1 3.77Å; V198-Y208 HydrophobicContact CG2-CE2 3.49Å; V198-Y208 VanDerWaalsContact CG2-CE2 3.49Å; V198-Y208 WeakPolarHBondContact CG2-OH 3.46Å; A205-Y208 WeakPolarHBondContact O-CB 3.46Å; A205-Y208 PolarHBondContact O-N 3.05Å; E206-Y208 PolarHBondContact O-N 3.28Å; Y208-K210 VanDerWaalsContact C-N 3.29Å; Y208-K210 PolarHBondContact O-N 3.09Å; Y208-A211 PolarHBondContact O-N 3.34Å; Y208-I212 WeakPolarHBondContact O-CB 3.44Å; Y208-I212 VanDerWaalsContact O-CG1 3.25Å; Y208-I212 WeakPolarHBondContact O-CG1 3.49Å; Y208-I212 PolarHBondContact O-N 3.28Å; Y208-G236 PolarHBondContact OH-O 2.99Å; Y208-G236 VanDerWaalsContact OH-O 3.09Å; Y208-F238 HydrophobicContact CE1-CE1 4.38Å; Y208-F238 HydrophobicContact CE1-CZ 4.21Å; Y208-I251 HydrophobicContact CD2-CG2 3.86Å; Y208-I251 HydrophobicContact CE2-CG2 3.52Å; Y208-I255 HydrophobicContact CD1-CD1 3.65Å; Y208-I255 HydrophobicContact CD1-CG1 3.9Å; Y208-I255 HydrophobicContact CD2-CD1 4.25Å; Y208-I255 HydrophobicContact CD2-CG1 4.4Å; Y208-I255 HydrophobicContact CE1-CD1 3.87Å; Y208-I255 HydrophobicContact CE2-CD1 4.42Å; Y208-I255 HydrophobicContact CG-CD1 3.85Å; Y208-I255 HydrophobicContact CG-CG1 3.78Å
209T97.3Very high92.7Very high32 Ų3228.4 Ų28.420%0.19616%0.16CC..Hα-helixtrans-54.1-48.9177.4-54.20000110.8E206 I212 A213 V254 A258E206-T209 WeakPolarHBondContact O-CB 3.44Å; E206-T209 PolarHBondContact O-N 3.2Å; E206-T209 VanDerWaalsContact O-N 3.09Å; E206-T209 WeakPolarHBondContact OE2-CB 3.45Å; E206-T209 PolarHBondContact OE2-OG1 2.82Å; T209-I212 PolarHBondContact O-N 3.44Å; T209-A213 WeakPolarHBondContact O-CB 3.34Å; T209-A213 PolarHBondContact O-N 3.29Å; T209-V254 WeakPolarHBondContact OG1-CG1 3.35Å; T209-A258 HydrophobicContact CG2-CB 4.28Å
210K96.8Very high93.5Very high102 Ų10231.6 Ų31.644%0.44318%0.177SC..Hα-helixtrans-63.5-45.8179.2-176.4-178.9176.5-65.30111.6E206 Y208 I212 A213 D214E206-K210 PolarHBondContact O-N 2.93Å; Y208-K210 VanDerWaalsContact C-N 3.29Å; Y208-K210 PolarHBondContact O-N 3.09Å; K210-I212 VanDerWaalsContact C-N 3.33Å; K210-I212 PolarHBondContact O-N 3.2Å; K210-A213 WeakPolarHBondContact O-CB 3.38Å; K210-A213 PolarHBondContact O-N 3.07Å; K210-D214 IonicContact NZ-OD2 2.66Å; K210-D214 PolarHBondContact NZ-OD2 3.11Å; K210-D214 WeakPolarHBondContact O-CB 3.3Å; K210-D214 PolarHBondContact O-N 3.25Å
211A97.8Very high94.4Very high2 Ų233 Ų332%0.01718%0.182CC..Hα-helixtrans-64.3-37.7-179.600000112.5T157 F196 T207 Y208 D214 A215T157-A211 HydrophobicContact CG2-CB 3.96Å; F196-A211 HydrophobicContact CB-CB 4.44Å; F196-A211 HydrophobicContact CD1-CB 3.88Å; F196-A211 HydrophobicContact CD2-CB 3.52Å; F196-A211 HydrophobicContact CE1-CB 3.91Å; F196-A211 HydrophobicContact CE2-CB 3.57Å; F196-A211 HydrophobicContact CG-CB 3.69Å; F196-A211 HydrophobicContact CZ-CB 3.76Å; T207-A211 WeakPolarHBondContact O-CB 3.44Å; T207-A211 PolarHBondContact O-N 3.25Å; Y208-A211 PolarHBondContact O-N 3.34Å; A211-D214 PolarHBondContact O-N 2.73Å; A211-A215 WeakPolarHBondContact O-CB 3.27Å; A211-A215 PolarHBondContact O-N 3.18Å
212I98.7Very high95.5Very high0 Ų031.9 Ų31.90%017%0.171CC..Hα-helixtrans-64.7-43.3173.5-67.9166.6000110.5F196 Y208 T209 K210 A215 R216 I234 I255 A258 L259 Y262 F263F196-I212 HydrophobicContact CE1-CG1 3.99Å; F196-I212 HydrophobicContact CZ-CG1 3.71Å; Y208-I212 WeakPolarHBondContact O-CB 3.44Å; Y208-I212 VanDerWaalsContact O-CG1 3.25Å; Y208-I212 WeakPolarHBondContact O-CG1 3.49Å; Y208-I212 PolarHBondContact O-N 3.28Å; T209-I212 PolarHBondContact O-N 3.44Å; K210-I212 VanDerWaalsContact C-N 3.33Å; K210-I212 PolarHBondContact O-N 3.2Å; I212-A215 PolarHBondContact O-N 3.33Å; I212-R216 PolarHBondContact O-N 3.45Å; I212-I234 HydrophobicContact CG1-CG2 4.49Å; I212-I255 HydrophobicContact CD1-CG2 4.35Å; I212-A258 HydrophobicContact CB-CB 4.29Å; I212-A258 HydrophobicContact CD1-CB 3.67Å; I212-A258 HydrophobicContact CG2-CB 4.18Å; I212-L259 HydrophobicContact CD1-CD2 4.13Å; I212-L259 HydrophobicContact CD1-CG 4.26Å; I212-L259 HydrophobicContact CG1-CD2 4.5Å; I212-L259 HydrophobicContact CG2-CD2 4.31Å; I212-Y262 HydrophobicContact CG2-CD2 3.91Å; I212-Y262 HydrophobicContact CG2-CG 4.24Å; I212-F263 HydrophobicContact CG2-CD2 3.85Å; I212-F263 HydrophobicContact CG2-CE2 3.93Å; I212-F263 WeakPolarHBondContact O-CE2 3.48Å
213A98.5Very high96.3Very high19 Ų1938 Ų3816%0.15720%0.198CC..Hα-helixtrans-63.1-44.6175.900000112.1T209 K210 A215 R216 C217 Y262T209-A213 WeakPolarHBondContact O-CB 3.34Å; T209-A213 PolarHBondContact O-N 3.29Å; K210-A213 WeakPolarHBondContact O-CB 3.38Å; K210-A213 PolarHBondContact O-N 3.07Å; A213-A215 VanDerWaalsContact C-N 3.32Å; A213-A215 PolarHBondContact O-N 2.84Å; A213-R216 WeakPolarHBondContact O-CB 3.36Å; A213-R216 PolarHBondContact O-N 3.06Å; A213-C217 PolarHBondContact O-N 3.45Å; A213-Y262 HydrophobicContact CB-CD1 4.41Å; A213-Y262 HydrophobicContact CB-CD2 4.38Å; A213-Y262 HydrophobicContact CB-CE1 3.82Å; A213-Y262 HydrophobicContact CB-CE2 3.82Å
214D98.6Very high97.1Very high30 Ų3040.5 Ų40.516%0.1620%0.204CC..Hα-helixtrans-62.1-40.6176.6-73-21.6000110.6I155 L174 K210 A211 R216 C217 I218I155-D214 HydrophobicContact CD1-CB 3.94Å; L174-D214 HydrophobicContact CD1-CB 4.24Å; K210-D214 IonicContact NZ-OD2 2.66Å; K210-D214 PolarHBondContact NZ-OD2 3.11Å; K210-D214 WeakPolarHBondContact O-CB 3.3Å; K210-D214 PolarHBondContact O-N 3.25Å; A211-D214 PolarHBondContact O-N 2.73Å; D214-R216 PolarHBondContact O-N 2.92Å; D214-C217 WeakPolarHBondContact O-CB 3.13Å; D214-C217 PolarHBondContact O-N 2.93Å; D214-I218 PolarHBondContact O-N 3.25Å
215A98.8Very high97.5Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-62-40.5174.800000112.2I155 V194 F196 A211 I212 A213 C217 I218 F219 L232 F263I155-A215 HydrophobicContact CD1-CB 4.21Å; V194-A215 HydrophobicContact CB-CB 4.26Å; V194-A215 HydrophobicContact CG1-CB 3.82Å; F196-A215 HydrophobicContact CD1-CB 4.46Å; A211-A215 WeakPolarHBondContact O-CB 3.27Å; A211-A215 PolarHBondContact O-N 3.18Å; I212-A215 PolarHBondContact O-N 3.33Å; A213-A215 VanDerWaalsContact C-N 3.32Å; A213-A215 PolarHBondContact O-N 2.84Å; A215-C217 VanDerWaalsContact C-N 3.32Å; A215-C217 PolarHBondContact O-N 3.06Å; A215-I218 PolarHBondContact O-N 2.96Å; A215-F219 WeakPolarHBondContact O-CD2 3.5Å; A215-F219 PolarHBondContact O-N 2.76Å; A215-L232 HydrophobicContact CB-CD1 3.7Å; A215-F263 HydrophobicContact CB-CE2 4.42Å; A215-F263 HydrophobicContact CB-CZ 4.29Å
216R98.7Very high97.8Very high50 Ų5042.4 Ų42.419%0.18923%0.225CC..Hα-helixtrans-58.5-44175.1-177.562.8-97.6177.7-11.7111.7I212 A213 D214 I218 F219 D220 Y262 F263I212-R216 PolarHBondContact O-N 3.45Å; A213-R216 WeakPolarHBondContact O-CB 3.36Å; A213-R216 PolarHBondContact O-N 3.06Å; D214-R216 PolarHBondContact O-N 2.92Å; R216-I218 PolarHBondContact O-N 3.49Å; R216-F219 WeakPolarHBondContact O-CB 3.34Å; R216-F219 PolarHBondContact O-N 3.22Å; R216-F219 VanDerWaalsContact O-N 3.15Å; R216-D220 IonicContact CZ-OD1 2.86Å; R216-D220 IonicContact NE-OD1 2.79Å; R216-D220 PolarHBondContact NE-OD1 3.43Å; R216-D220 IonicContact NH2-OD1 3.28Å; R216-D220 PolarHBondContact NH2-OD1 2.55Å; R216-D220 PolarHBondContact O-N 2.95Å; R216-Y262 HydrophobicContact CB-CD1 4.1Å; R216-Y262 HydrophobicContact CB-CG 4.48Å; R216-Y262 WeakPolarHBondContact CD-O 3Å; R216-Y262 HydrophobicContact CG-CD1 4.16Å; R216-F263 HydrophobicContact CB-CE2 4Å; R216-F263 HydrophobicContact CB-CZ 3.96Å
217C98.6Very high98.1Very high54 Ų5437.9 Ų37.937%0.36520%0.203SC..Hα-helixtrans-58.2-35.5175-64.70000112.4A213 D214 A215 D220 M221A213-C217 PolarHBondContact O-N 3.45Å; D214-C217 WeakPolarHBondContact O-CB 3.13Å; D214-C217 PolarHBondContact O-N 2.93Å; A215-C217 VanDerWaalsContact C-N 3.32Å; A215-C217 PolarHBondContact O-N 3.06Å; C217-D220 PolarHBondContact O-N 3.29Å; C217-M221 WeakPolarHBondContact O-CG 3.29Å; C217-M221 PolarHBondContact O-N 3.16Å; C217-M221 VanDerWaalsContact O-N 3.11Å
218I98.7Very high98.3Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-74.4-36.5177.4-60.3-45.4000112.3L153 I155 L174 C177 L181 V194 D214 A215 R216 D220 M221 G222L153-I218 HydrophobicContact CD2-CG2 3.95Å; I155-I218 HydrophobicContact CG2-CG1 4.17Å; L174-I218 HydrophobicContact CD1-CD1 3.42Å; L174-I218 VanDerWaalsContact CD1-CD1 3.42Å; L174-I218 HydrophobicContact CD1-CG1 3.83Å; L174-I218 HydrophobicContact CG-CD1 4.25Å; C177-I218 HydrophobicContact CB-CD1 3.35Å; C177-I218 HydrophobicContact CB-CG1 4.15Å; L181-I218 HydrophobicContact CD1-CG2 4.13Å; V194-I218 HydrophobicContact CG2-CB 3.88Å; V194-I218 HydrophobicContact CG2-CG2 3.52Å; D214-I218 PolarHBondContact O-N 3.25Å; A215-I218 PolarHBondContact O-N 2.96Å; R216-I218 PolarHBondContact O-N 3.49Å; I218-D220 VanDerWaalsContact C-N 3.28Å; I218-D220 PolarHBondContact O-N 3.31Å; I218-M221 HydrophobicContact CD1-CE 3.88Å; I218-M221 HydrophobicContact CD1-SD 3.62Å; I218-M221 PolarHBondContact O-N 3.38Å; I218-G222 PolarHBondContact O-N 3.32Å
219F98.8Very high98.3Very high7 Ų744.9 Ų44.93%0.03124%0.239CC..Hα-helixtrans-59.9-41.2170.8-87.7-115.9000111.2V194 A215 R216 G222 E223 M229 L231 L232 F263 V269V194-F219 HydrophobicContact CB-CD2 4.22Å; V194-F219 HydrophobicContact CB-CE2 3.85Å; V194-F219 HydrophobicContact CG2-CD2 3.65Å; V194-F219 HydrophobicContact CG2-CE2 3.71Å; A215-F219 WeakPolarHBondContact O-CD2 3.5Å; A215-F219 PolarHBondContact O-N 2.76Å; R216-F219 WeakPolarHBondContact O-CB 3.34Å; R216-F219 PolarHBondContact O-N 3.22Å; R216-F219 VanDerWaalsContact O-N 3.15Å; F219-G222 WeakPolarHBondContact O-CA 3.26Å; F219-G222 PolarHBondContact O-N 3.43Å; F219-G222 VanDerWaalsContact O-N 3.1Å; F219-E223 PolarHBondContact O-N 2.91Å; F219-M229 HydrophobicContact CD1-CB 3.52Å; F219-M229 HydrophobicContact CD1-SD 4.43Å; F219-M229 HydrophobicContact CD2-SD 4.25Å; F219-M229 HydrophobicContact CE1-CB 3.51Å; F219-M229 HydrophobicContact CG-CB 4.18Å; F219-M229 HydrophobicContact CG-SD 4.14Å; F219-M229 HydrophobicContact CZ-CB 4.17Å; F219-L231 VanDerWaalsContact CZ-O 3.29Å; F219-L231 WeakPolarHBondContact CZ-O 3.22Å; F219-L232 HydrophobicContact CE2-CD1 4.42Å; F219-L232 HydrophobicContact CZ-CB 4.3Å; F219-F263 HydrophobicContact CB-CE1 4.49Å; F219-F263 AromaticContact CD1-CE1 3.91Å; F219-F263 HydrophobicContact CD1-CE1 3.91Å; F219-F263 AromaticContact CD2-CE1 3.75Å; F219-F263 HydrophobicContact CD2-CE1 3.75Å; F219-F263 AromaticContact CD2-CZ 3.84Å; F219-F263 HydrophobicContact CD2-CZ 3.84Å; F219-F263 AromaticContact CE1-CE1 3.92Å; F219-F263 HydrophobicContact CE1-CE1 3.92Å; F219-F263 AromaticContact CE2-CE1 3.75Å; F219-F263 HydrophobicContact CE2-CE1 3.75Å; F219-F263 AromaticContact CE2-CZ 3.94Å; F219-F263 HydrophobicContact CE2-CZ 3.94Å; F219-F263 AromaticContact CG-CE1 3.81Å; F219-F263 HydrophobicContact CG-CE1 3.81Å; F219-F263 HydrophobicContact CG-CZ 4.26Å; F219-F263 AromaticContact CZ-CE1 3.83Å; F219-F263 HydrophobicContact CZ-CE1 3.83Å; F219-F263 HydrophobicContact CZ-CZ 4.45Å; F219-V269 HydrophobicContact CE1-CG1 4.23Å; F219-V269 HydrophobicContact CE1-CG2 3.92Å; F219-V269 HydrophobicContact CZ-CG1 4.21Å
220D98.6Very high98.4Very high66 Ų6647 Ų4735%0.35325%0.249SC..Hα-helixtrans-62.6-44.4177-56.8-19000111.2R216 C217 I218 G222 E223 E224R216-D220 IonicContact CZ-OD1 2.86Å; R216-D220 IonicContact NE-OD1 2.79Å; R216-D220 PolarHBondContact NE-OD1 3.43Å; R216-D220 IonicContact NH2-OD1 3.28Å; R216-D220 PolarHBondContact NH2-OD1 2.55Å; R216-D220 PolarHBondContact O-N 2.95Å; C217-D220 PolarHBondContact O-N 3.29Å; I218-D220 VanDerWaalsContact C-N 3.28Å; I218-D220 PolarHBondContact O-N 3.31Å; D220-G222 VanDerWaalsContact C-N 3.26Å; D220-G222 PolarHBondContact O-N 2.65Å; D220-E223 PolarHBondContact O-N 3.08Å; D220-E224 WeakPolarHBondContact O-CG 3.22Å; D220-E224 PolarHBondContact O-N 3.41Å; D220-E224 VanDerWaalsContact O-N 3.09Å
221M98.6Very high98.5Very high42 Ų4242.2 Ų42.221%0.20723%0.229CC..Hα-helixtrans-60.5-36.6172.3-66.4176.3-158.400112.2R178 L181 C217 I218 L225R178-M221 HydrophobicContact CB-SD 4.01Å; L181-M221 HydrophobicContact CD1-CB 4.03Å; C217-M221 WeakPolarHBondContact O-CG 3.29Å; C217-M221 PolarHBondContact O-N 3.16Å; C217-M221 VanDerWaalsContact O-N 3.11Å; I218-M221 HydrophobicContact CD1-CE 3.88Å; I218-M221 HydrophobicContact CD1-SD 3.62Å; I218-M221 PolarHBondContact O-N 3.38Å; M221-L225 WeakPolarHBondContact O-CG 3.4Å; M221-L225 PolarHBondContact O-N 2.99Å
222G98.6Very high98.5Very high0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-62.6-47175.500000112.2I218 F219 D220 L225 G226 Y227I218-G222 PolarHBondContact O-N 3.32Å; F219-G222 WeakPolarHBondContact O-CA 3.26Å; F219-G222 PolarHBondContact O-N 3.43Å; F219-G222 VanDerWaalsContact O-N 3.1Å; D220-G222 VanDerWaalsContact C-N 3.26Å; D220-G222 PolarHBondContact O-N 2.65Å; G222-L225 CarbonylContact O-C 3.28Å; G222-L225 PolarHBondContact O-N 3.11Å; G222-L225 VanDerWaalsContact O-N 3.14Å; G222-G226 PolarHBondContact O-N 3.48Å; G222-G226 VanDerWaalsContact O-N 3.14Å; G222-Y227 WeakPolarHBondContact O-CB 3.45Å; G222-Y227 PolarHBondContact O-N 3.11Å
223E98.2Very high98.6Very high137 Ų13742.1 Ų42.164%0.6423%0.228SC*.Hα-helixtrans-60.8-44.6178.2-174.1175.9-171.100111.6F219 D220 L225 G226F219-E223 PolarHBondContact O-N 2.91Å; D220-E223 PolarHBondContact O-N 3.08Å; E223-L225 PolarHBondContact O-N 3.1Å; E223-G226 WeakPolarHBondContact O-CA 3.48Å; E223-G226 PolarHBondContact O-N 3.14Å
224E98.4Very high98.6Very high138 Ų13841.2 Ų41.265%0.64522%0.221SC*.Hα-helixtrans-56.5-34.2174.6-71.7177.9-170.800113R178 D220 G226R178-E224 IonicContact NH2-OE2 2.73Å; D220-E224 WeakPolarHBondContact O-CG 3.22Å; D220-E224 PolarHBondContact O-N 3.41Å; D220-E224 VanDerWaalsContact O-N 3.09Å; E224-G226 VanDerWaalsContact C-N 3.31Å
225L98.4Very high98.5Very high40 Ų4039.8 Ų39.821%0.20921%0.213CC..THydrogen-bonded Turntrans-89.22.7178.9-64.2171.4000112.8L181 E182 K185 M221 G222 E223 Y227L181-L225 HydrophobicContact CB-CD1 3.5Å; L181-L225 HydrophobicContact CD1-CD1 4.4Å; E182-L225 HydrophobicContact CG-CD1 3.94Å; E182-L225 HydrophobicContact CG-CD2 3.86Å; K185-L225 WeakPolarHBondContact CE-O 3.33Å; K185-L225 PolarHBondContact NZ-O 3.32Å; M221-L225 WeakPolarHBondContact O-CG 3.4Å; M221-L225 PolarHBondContact O-N 2.99Å; G222-L225 CarbonylContact O-C 3.28Å; G222-L225 PolarHBondContact O-N 3.11Å; G222-L225 VanDerWaalsContact O-N 3.14Å; E223-L225 PolarHBondContact O-N 3.1Å; L225-Y227 HydrophobicContact CB-CD2 4.01Å; L225-Y227 HydrophobicContact CB-CE2 4.09Å
226G98.3Very high98.4Very high51 Ų5139.8 Ų39.853%0.52621%0.213SC..THydrogen-bonded Turntrans74.731.8178.400000114K185 G222 E223 E224K185-G226 PolarHBondContact NZ-O 3.22Å; G222-G226 PolarHBondContact O-N 3.48Å; G222-G226 VanDerWaalsContact O-N 3.14Å; E223-G226 WeakPolarHBondContact O-CA 3.48Å; E223-G226 PolarHBondContact O-N 3.14Å; E224-G226 VanDerWaalsContact C-N 3.31Å
227Y98.5Very high98.1Very high15 Ų1538 Ų386%0.05921%0.21CC..  trans-86144.4162.1-66.6-77.5000110L181 A184 K185 V191 G222 L225 M229L181-Y227 HydrophobicContact CB-CE2 4.06Å; L181-Y227 HydrophobicContact CD2-CE2 4.27Å; L181-Y227 WeakPolarHBondContact O-CE2 3.46Å; L181-Y227 PolarHBondContact O-OH 3.31Å; A184-Y227 VanDerWaalsContact C-OH 3.3Å; A184-Y227 VanDerWaalsContact CB-OH 3.28Å; A184-Y227 WeakPolarHBondContact CB-OH 3.49Å; K185-Y227 WeakPolarHBondContact CA-OH 3.42Å; K185-Y227 WeakPolarHBondContact CB-OH 3.27Å; K185-Y227 HydrophobicContact CD-CE1 4.14Å; K185-Y227 HydrophobicContact CD-CE2 4.23Å; K185-Y227 PolarHBondContact N-OH 3.1Å; V191-Y227 HydrophobicContact CB-CD1 3.98Å; V191-Y227 HydrophobicContact CB-CE1 3.82Å; V191-Y227 HydrophobicContact CG2-CE1 3.89Å; V191-Y227 WeakPolarHBondContact O-CD1 3.41Å; G222-Y227 WeakPolarHBondContact O-CB 3.45Å; G222-Y227 PolarHBondContact O-N 3.11Å; L225-Y227 HydrophobicContact CB-CD2 4.01Å; L225-Y227 HydrophobicContact CB-CE2 4.09Å; Y227-M229 HydrophobicContact CD2-CE 4.48Å; Y227-M229 HydrophobicContact CG-CE 4.44Å
228N97.5Very high97.9Very high140 Ų14035.6 Ų35.675%0.74919%0.193SC*.  trans-107.377.9170.2-176.658.6000108.2
229M98.7Very high97.8Very high17 Ų1736.4 Ų36.48%0.08420%0.199CC..  trans-73.8131.6-178.8-65.1-174.5-176.600110.6L181 V191 I192 V194 F219 Y227L181-M229 HydrophobicContact CD1-CE 4.16Å; L181-M229 HydrophobicContact CD2-CE 3.52Å; V191-M229 HydrophobicContact CB-CE 4.35Å; V191-M229 HydrophobicContact CG1-CE 3.83Å; I192-M229 CarbonylContact O-C 3.52Å; I192-M229 VanDerWaalsContact O-CA 3.24Å; I192-M229 WeakPolarHBondContact O-CA 3.25Å; I192-M229 WeakPolarHBondContact O-CB 3.26Å; V194-M229 HydrophobicContact CG2-SD 4.26Å; F219-M229 HydrophobicContact CD1-CB 3.52Å; F219-M229 HydrophobicContact CD1-SD 4.43Å; F219-M229 HydrophobicContact CD2-SD 4.25Å; F219-M229 HydrophobicContact CE1-CB 3.51Å; F219-M229 HydrophobicContact CG-CB 4.18Å; F219-M229 HydrophobicContact CG-SD 4.14Å; F219-M229 HydrophobicContact CZ-CB 4.17Å; Y227-M229 HydrophobicContact CD2-CE 4.48Å; Y227-M229 HydrophobicContact CG-CE 4.44Å
230D98.4Very high97.6Very high76 Ų7636.1 Ų36.141%0.40620%0.198SC..  trans-131.93.1-176.365.71.9000113.3I192 R270I192-D230 PolarHBondContact O-N 2.98Å; D230-R270 WeakPolarHBondContact O-CB 3.26Å; D230-R270 PolarHBondContact O-N 2.86Å
231L98.9Very high97.4Very high2 Ų234 Ų341%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-124.5118.2-177-173.967.7000112.7M130 V152 I192 G193 V194 F219 R270 I272M130-L231 HydrophobicContact SD-CD2 3.89Å; V152-L231 HydrophobicContact CG2-CD2 3.74Å; I192-L231 HydrophobicContact CD1-CB 4.15Å; I192-L231 HydrophobicContact CD1-CD2 3.76Å; I192-L231 PolarHBondContact O-N 2.94Å; G193-L231 CarbonylContact C-O 3.56Å; G193-L231 WeakPolarHBondContact CA-O 3.44Å; V194-L231 PolarHBondContact N-O 2.84Å; F219-L231 VanDerWaalsContact CZ-O 3.29Å; F219-L231 WeakPolarHBondContact CZ-O 3.22Å; L231-R270 WeakPolarHBondContact CA-O 3.46Å; L231-R270 HydrophobicContact CD1-CB 4.26Å; L231-R270 HydrophobicContact CD1-CG 4.09Å; L231-I272 HydrophobicContact CD1-CD1 4.16Å; L231-I272 HydrophobicContact CD1-CG1 4.1Å; L231-I272 HydrophobicContact CD1-CG2 3.86Å; L231-I272 HydrophobicContact CD2-CD1 4.41Å
232L98.9Very high96.9Very high0 Ų036.3 Ų36.30%020%0.201CC..EExtended strand (participates in β ladder)trans-107128.1165.3177.566.7000109.4F196 A215 F219 I234 L259 F263 V269 R270 V271 I272F196-L232 HydrophobicContact CE1-CD1 4.26Å; A215-L232 HydrophobicContact CB-CD1 3.7Å; F219-L232 HydrophobicContact CE2-CD1 4.42Å; F219-L232 HydrophobicContact CZ-CB 4.3Å; L232-I234 HydrophobicContact CD2-CG2 4.07Å; L232-I234 HydrophobicContact CG-CG2 4.08Å; L232-L259 HydrophobicContact CD2-CD2 3.59Å; L232-F263 HydrophobicContact CD1-CE2 4.33Å; L232-F263 HydrophobicContact CD1-CZ 4.28Å; L232-F263 HydrophobicContact CD2-CD2 3.59Å; L232-F263 HydrophobicContact CD2-CE2 3.67Å; L232-F263 HydrophobicContact CD2-CG 4.05Å; L232-F263 HydrophobicContact CD2-CZ 4.18Å; L232-V269 HydrophobicContact CB-CG1 3.95Å; L232-R270 PolarHBondContact N-O 3Å; L232-V271 HydrophobicContact CB-CG1 4.48Å; L232-V271 HydrophobicContact CB-CG2 4.49Å; L232-V271 HydrophobicContact CD2-CG1 4.29Å; L232-V271 HydrophobicContact CG-CG1 4.44Å; L232-V271 CarbonylContact O-C 3.53Å; L232-V271 VanDerWaalsContact O-CA 3.31Å; L232-V271 WeakPolarHBondContact O-CA 3.47Å; L232-I272 PolarHBondContact O-N 2.82Å
233D98.9Very high96.2Very high0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-116.2115.6173-179-3.8000110.3V194 S195 F196 G235 I272 E274V194-D233 PolarHBondContact O-N 2.85Å; S195-D233 CarbonylContact C-O 3.59Å; S195-D233 WeakPolarHBondContact CA-O 3.29Å; F196-D233 PolarHBondContact N-O 3.04Å; F196-D233 VanDerWaalsContact N-O 3.08Å; D233-G235 VanDerWaalsContact C-N 3.31Å; D233-G235 PolarHBondContact OD1-N 2.99Å; D233-I272 WeakPolarHBondContact CA-O 3.48Å; D233-I272 HydrophobicContact CB-CD1 4.02Å; D233-I272 HydrophobicContact CB-CG1 3.58Å; D233-E274 VanDerWaalsContact OD2-OE1 3.08Å
234I98.7Very high95.7Very high0 Ų036.3 Ų36.30%021%0.208CC..  trans-89.13.6-176.366.6159.5000113.6I62 F196 I212 L232 F238 I255 V271 I272 A273I62-I234 HydrophobicContact CD1-CD1 3.55Å; I62-I234 HydrophobicContact CD1-CG1 4.45Å; I62-I234 HydrophobicContact CG2-CD1 4.43Å; I62-I234 HydrophobicContact CG2-CG1 4.5Å; F196-I234 HydrophobicContact CE1-CB 4.29Å; F196-I234 HydrophobicContact CE1-CG2 4.05Å; F196-I234 HydrophobicContact CE2-CB 3.99Å; F196-I234 VanDerWaalsContact CE2-O 3.27Å; F196-I234 WeakPolarHBondContact CE2-O 3.39Å; F196-I234 HydrophobicContact CZ-CB 3.6Å; F196-I234 HydrophobicContact CZ-CG2 3.68Å; F196-I234 CarbonylContact O-C 3.58Å; I212-I234 HydrophobicContact CG1-CG2 4.49Å; L232-I234 HydrophobicContact CD2-CG2 4.07Å; L232-I234 HydrophobicContact CG-CG2 4.08Å; I234-F238 HydrophobicContact CD1-CZ 3.91Å; I234-I255 HydrophobicContact CD1-CD1 4.02Å; I234-I255 HydrophobicContact CD1-CG2 3.96Å; I234-V271 HydrophobicContact CG2-CG1 4.1Å; I234-I272 WeakPolarHBondContact CG1-O 3.46Å; I234-I272 PolarHBondContact N-O 3.35Å; I234-A273 HydrophobicContact CD1-CB 4.12Å; I234-A273 HydrophobicContact CG1-CB 3.57Å
235G97.9Very high95.1Very high0 Ų038.5 Ų38.50%022%0.218CC..  trans66.2-153.2176.400000114F196 D233 A273 E274F196-G235 WeakPolarHBondContact O-CA 3.4Å; F196-G235 PolarHBondContact O-N 3.07Å; D233-G235 VanDerWaalsContact C-N 3.31Å; D233-G235 PolarHBondContact OD1-N 2.99Å; G235-A273 WeakPolarHBondContact O-CB 3.34Å; G235-E274 PolarHBondContact O-N 3.03Å
236G95.8Very high94.8Very high1 Ų138 Ų381%0.0122%0.216CC..  trans-116.4-161.6-18000000113H197 Y208H197-G236 PolarHBondContact CD2-N 2.69Å; Y208-G236 PolarHBondContact OH-O 2.99Å; Y208-G236 VanDerWaalsContact OH-O 3.09Å
237G91.8Very high94.6Very high11 Ų1139.1 Ų39.111%0.11321%0.206CC..  trans117.5-8.5-179.700000114.4G199G199-G237 WeakPolarHBondContact O-CA 3.44Å
238F95.9Very high94.5Very high4 Ų438.5 Ų38.52%0.01820%0.204CC..  trans-60.2138177.1-51.1-78.7000112.4W55 L59 Y208 I234 F248 I251 I255 A273 P275 F278W55-F238 HydrophobicContact CH2-CD2 4.07Å; W55-F238 AromaticContact CH2-CE2 3.57Å; W55-F238 HydrophobicContact CH2-CE2 3.57Å; W55-F238 AromaticContact CH2-CZ 3.83Å; W55-F238 HydrophobicContact CH2-CZ 3.83Å; W55-F238 AromaticContact CZ3-CD2 3.78Å; W55-F238 HydrophobicContact CZ3-CD2 3.78Å; W55-F238 HydrophobicContact CZ3-CE1 4.49Å; W55-F238 AromaticContact CZ3-CE2 3.77Å; W55-F238 HydrophobicContact CZ3-CE2 3.77Å; W55-F238 HydrophobicContact CZ3-CG 4.17Å; W55-F238 HydrophobicContact CZ3-CZ 4.14Å; L59-F238 HydrophobicContact CD1-CE1 4.28Å; L59-F238 HydrophobicContact CD1-CZ 4.44Å; Y208-F238 HydrophobicContact CE1-CE1 4.38Å; Y208-F238 HydrophobicContact CE1-CZ 4.21Å; I234-F238 HydrophobicContact CD1-CZ 3.91Å; F238-F248 HydrophobicContact CB-CD2 4.14Å; F238-F248 HydrophobicContact CB-CE2 4.37Å; F238-F248 AromaticContact CD1-CD2 3.94Å; F238-F248 HydrophobicContact CD1-CD2 3.94Å; F238-F248 AromaticContact CD1-CE2 3.79Å; F238-F248 HydrophobicContact CD1-CE2 3.79Å; F238-F248 HydrophobicContact CE1-CE2 4.41Å; F238-F248 HydrophobicContact CG-CD2 4.34Å; F238-F248 HydrophobicContact CG-CE2 4.2Å; F238-I251 HydrophobicContact CD1-CG2 4.03Å; F238-I251 HydrophobicContact CE1-CG2 3.96Å; F238-I255 HydrophobicContact CE1-CD1 3.64Å; F238-I255 HydrophobicContact CZ-CD1 4.12Å; F238-A273 HydrophobicContact CE2-CB 4.32Å; F238-P275 HydrophobicContact CD2-CB 4.12Å; F238-F278 HydrophobicContact CB-CB 3.97Å; F238-F278 HydrophobicContact CB-CD2 4.26Å; F238-F278 HydrophobicContact CB-CG 4.38Å
239P95.4Very high94.4Very high17 Ų1735.4 Ų35.411%0.1119%0.185CC..  trans-65.5147.3177.829.1-35.5000111T244 F248 I251 F278P239-T244 HydrophobicContact CB-CG2 3.97Å; P239-T244 WeakPolarHBondContact CB-OG1 3.29Å; P239-F248 HydrophobicContact CG-CB 4.2Å; P239-I251 HydrophobicContact CG-CD1 4.39Å; P239-F278 WeakPolarHBondContact O-CD2 3.46Å
240G95.6Very high94.3Very high2 Ų239.4 Ų39.42%0.02120%0.203CC..SBendtrans-107-4-179.100000115.6K51 S282K51-G240 PolarHBondContact NZ-O 2.81Å; G240-S282 PolarHBondContact O-N 2.8Å; G240-S282 PolarHBondContact O-OG 2.79Å
241S93Very high94.2Very high22 Ų2235.9 Ų35.915%0.15418%0.184CC..SBendtrans-140.2163.717367.70000109.4D243 N386S241-D243 PolarHBondContact O-N 3.11Å; S241-N386 VanDerWaalsContact CB-CG 3.47Å; S241-N386 WeakPolarHBondContact CB-OD1 3.5Å
242D88.8Confident94.1Very high89 Ų8936 Ų3648%0.47619%0.185SC..THydrogen-bonded Turntrans-85.811.3177.5-60.2-41.7000112.1R54 T244 K247R54-D242 IonicContact CZ-OD1 2.61Å; R54-D242 IonicContact NH1-OD1 2.69Å; R54-D242 PolarHBondContact NH1-OD1 3.4Å; R54-D242 IonicContact NH1-OD2 3.21Å; R54-D242 IonicContact NH2-OD1 2.69Å; R54-D242 PolarHBondContact NH2-OD1 3.28Å; R54-D242 VanDerWaalsContact NH2-OD1 3.16Å; D242-T244 VanDerWaalsContact C-N 3.33Å; D242-K247 PolarHBondContact O-NZ 3.43Å
243D85.1Confident94.1Very high86 Ų8640.4 Ų40.446%0.4621%0.212SC..THydrogen-bonded Turntrans-91.17177.6-60.4-47.3000113.1S241 N386 R444S241-D243 PolarHBondContact O-N 3.11Å; D243-N386 PolarHBondContact OD2-ND2 3.49Å; D243-R444 IonicContact OD1-CZ 2.88Å; D243-R444 IonicContact OD1-NH1 3.16Å; D243-R444 IonicContact OD1-NH2 3.75Å; D243-R444 PolarHBondContact OD1-NH2 2.93Å
244T85.8Confident94Very high51 Ų5141.7 Ų41.731%0.31322%0.22SC..SBendtrans-90.4151.3174.860.20000111.4P239 D242 L246 K247P239-T244 HydrophobicContact CB-CG2 3.97Å; P239-T244 WeakPolarHBondContact CB-OG1 3.29Å; D242-T244 VanDerWaalsContact C-N 3.33Å; T244-L246 PolarHBondContact OG1-O 2.87Å; T244-K247 WeakPolarHBondContact O-CE 3.18Å; T244-K247 PolarHBondContact O-NZ 2.89Å
245E87.6Confident94Very high184 Ų18441.7 Ų41.786%0.8622%0.22SC*.SBendtrans-62.3-53.2176.1-68.1-172.2160.900111.7
246L90.8Very high94Very high31 Ų3143.4 Ų43.416%0.16223%0.229CC..SBendtrans-82.3120.9175.7-174.462.9000110.2A205 T244 E250 I251A205-L246 HydrophobicContact CB-CD2 4.36Å; T244-L246 PolarHBondContact OG1-O 2.87Å; L246-E250 HydrophobicContact CD1-CB 3.89Å; L246-I251 HydrophobicContact CD1-CG1 4.34Å; L246-I251 HydrophobicContact CD2-CD1 3.81Å; L246-I251 HydrophobicContact CD2-CG1 3.62Å; L246-I251 HydrophobicContact CG-CD1 3.98Å; L246-I251 HydrophobicContact CG-CG1 3.79Å
247K94.4Very high94.1Very high73 Ų7347.8 Ų47.832%0.31726%0.256SS..  trans-87.7161.3-179.7-52.6-56.2-178.6-1680112.2D242 T244 E249 E250 I251D242-K247 PolarHBondContact O-NZ 3.43Å; T244-K247 WeakPolarHBondContact O-CE 3.18Å; T244-K247 PolarHBondContact O-NZ 2.89Å; K247-E249 PolarHBondContact O-N 3.42Å; K247-E250 HydrophobicContact CB-CG 4.31Å; K247-E250 VanDerWaalsContact CB-OE2 3.3Å; K247-E250 WeakPolarHBondContact CB-OE2 3.43Å; K247-E250 WeakPolarHBondContact CG-OE2 3.48Å; K247-E250 PolarHBondContact N-OE2 2.73Å; K247-E250 PolarHBondContact O-N 3.11Å; K247-I251 PolarHBondContact O-N 2.86Å
248F96.3Very high94.5Very high3 Ų347.4 Ų47.41%0.01325%0.251CS..Hα-helixtrans-58.5-48.8178175.3-116.2000112.2R54 W55 A58 L59 F238 P239 E250 I251 T252 F278R54-F248 HydrophobicContact CG-CD1 4.07Å; R54-F248 HydrophobicContact CG-CE1 4.07Å; W55-F248 HydrophobicContact CE3-CE2 4.01Å; W55-F248 AromaticContact CE3-CZ 3.87Å; W55-F248 HydrophobicContact CE3-CZ 3.87Å; W55-F248 HydrophobicContact CZ3-CE2 4.09Å; W55-F248 HydrophobicContact CZ3-CZ 4.37Å; A58-F248 HydrophobicContact CB-CD1 4.34Å; A58-F248 HydrophobicContact CB-CE1 3.51Å; A58-F248 HydrophobicContact CB-CZ 4.06Å; L59-F248 HydrophobicContact CD1-CE2 4.16Å; L59-F248 HydrophobicContact CD1-CZ 4.05Å; L59-F248 HydrophobicContact CG-CZ 4.42Å; F238-F248 HydrophobicContact CB-CD2 4.14Å; F238-F248 HydrophobicContact CB-CE2 4.37Å; F238-F248 AromaticContact CD1-CD2 3.94Å; F238-F248 HydrophobicContact CD1-CD2 3.94Å; F238-F248 AromaticContact CD1-CE2 3.79Å; F238-F248 HydrophobicContact CD1-CE2 3.79Å; F238-F248 HydrophobicContact CE1-CE2 4.41Å; F238-F248 HydrophobicContact CG-CD2 4.34Å; F238-F248 HydrophobicContact CG-CE2 4.2Å; P239-F248 HydrophobicContact CG-CB 4.2Å; F248-E250 VanDerWaalsContact C-N 3.3Å; F248-E250 PolarHBondContact O-N 3.41Å; F248-I251 WeakPolarHBondContact O-CB 3.34Å; F248-I251 PolarHBondContact O-N 3Å; F248-I251 VanDerWaalsContact O-N 3.16Å; F248-T252 HydrophobicContact CD1-CG2 4.09Å; F248-T252 HydrophobicContact CD2-CG2 3.84Å; F248-T252 HydrophobicContact CE1-CG2 3.78Å; F248-T252 HydrophobicContact CE2-CG2 3.5Å; F248-T252 VanDerWaalsContact CE2-CG2 3.5Å; F248-T252 HydrophobicContact CG-CG2 4.13Å; F248-T252 HydrophobicContact CZ-CG2 3.47Å; F248-T252 VanDerWaalsContact CZ-CG2 3.47Å; F248-T252 WeakPolarHBondContact O-CG2 3.43Å; F248-T252 PolarHBondContact O-N 3.29Å; F248-F278 HydrophobicContact CB-CE2 4.35Å; F248-F278 AromaticContact CD1-CE2 3.68Å; F248-F278 HydrophobicContact CD1-CE2 3.68Å; F248-F278 HydrophobicContact CD1-CZ 4.24Å; F248-F278 AromaticContact CD2-CD2 3.8Å; F248-F278 HydrophobicContact CD2-CD2 3.8Å; F248-F278 AromaticContact CD2-CE2 3.59Å; F248-F278 HydrophobicContact CD2-CE2 3.59Å; F248-F278 HydrophobicContact CD2-CZ 4.5Å; F248-F278 AromaticContact CE1-CE2 3.73Å; F248-F278 HydrophobicContact CE1-CE2 3.73Å; F248-F278 AromaticContact CE1-CZ 3.86Å; F248-F278 HydrophobicContact CE1-CZ 3.86Å; F248-F278 AromaticContact CE2-CD2 3.97Å; F248-F278 HydrophobicContact CE2-CD2 3.97Å; F248-F278 AromaticContact CE2-CE2 3.66Å; F248-F278 HydrophobicContact CE2-CE2 3.66Å; F248-F278 HydrophobicContact CE2-CZ 4.17Å; F248-F278 HydrophobicContact CG-CD2 4.16Å; F248-F278 AromaticContact CG-CE2 3.6Å; F248-F278 HydrophobicContact CG-CE2 3.6Å; F248-F278 HydrophobicContact CZ-CD2 4.46Å; F248-F278 AromaticContact CZ-CE2 3.73Å; F248-F278 HydrophobicContact CZ-CE2 3.73Å; F248-F278 AromaticContact CZ-CZ 3.83Å; F248-F278 HydrophobicContact CZ-CZ 3.83Å
249E96Very high94.6Very high75 Ų7547.2 Ų47.235%0.3525%0.25SS..Hα-helixtrans-61.7-38.4-176.4-74.570.4-160.100112.1R54 K247 I251 T252 V253R54-E249 IonicContact CZ-OE1 3.17Å; R54-E249 IonicContact CZ-OE2 3.92Å; R54-E249 IonicContact NE-OE1 3.73Å; R54-E249 PolarHBondContact NE-OE1 3.37Å; R54-E249 IonicContact NE-OE2 2.85Å; R54-E249 VanDerWaalsContact NH2-CD 3.35Å; R54-E249 IonicContact NH2-OE1 3.79Å; R54-E249 PolarHBondContact NH2-OE1 3.41Å; R54-E249 IonicContact NH2-OE2 2.77Å; R54-E249 PolarHBondContact NH2-OE2 2.78Å; K247-E249 PolarHBondContact O-N 3.42Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-I251 PolarHBondContact O-N 3.16Å; E249-T252 WeakPolarHBondContact CA-OG1 3.47Å; E249-T252 PolarHBondContact O-N 3.04Å; E249-T252 VanDerWaalsContact O-N 3.12Å; E249-T252 PolarHBondContact O-OG1 2.66Å; E249-V253 WeakPolarHBondContact O-CG2 3.23Å; E249-V253 PolarHBondContact O-N 2.99Å
250E95.9Very high94.7Very high101 Ų10150.9 Ų50.947%0.47227%0.269SS..Hα-helixtrans-60.1-43.1177.2-63.4176.6102.700111.4L246 K247 F248L246-E250 HydrophobicContact CD1-CB 3.89Å; K247-E250 HydrophobicContact CB-CG 4.31Å; K247-E250 VanDerWaalsContact CB-OE2 3.3Å; K247-E250 WeakPolarHBondContact CB-OE2 3.43Å; K247-E250 WeakPolarHBondContact CG-OE2 3.48Å; K247-E250 PolarHBondContact N-OE2 2.73Å; K247-E250 PolarHBondContact O-N 3.11Å; F248-E250 VanDerWaalsContact C-N 3.3Å; F248-E250 PolarHBondContact O-N 3.41Å
251I96.6Very high94.8Very high1 Ų157.6 Ų57.61%0.00530%0.298CS..Hα-helixtrans-63.5-44.3174.1-65.4166.4000110.7A205 Y208 F238 P239 L246 K247 F248 E249 V253 V254 I255A205-I251 HydrophobicContact CB-CG1 4.32Å; Y208-I251 HydrophobicContact CD2-CG2 3.86Å; Y208-I251 HydrophobicContact CE2-CG2 3.52Å; F238-I251 HydrophobicContact CD1-CG2 4.03Å; F238-I251 HydrophobicContact CE1-CG2 3.96Å; P239-I251 HydrophobicContact CG-CD1 4.39Å; L246-I251 HydrophobicContact CD1-CG1 4.34Å; L246-I251 HydrophobicContact CD2-CD1 3.81Å; L246-I251 HydrophobicContact CD2-CG1 3.62Å; L246-I251 HydrophobicContact CG-CD1 3.98Å; L246-I251 HydrophobicContact CG-CG1 3.79Å; K247-I251 PolarHBondContact O-N 2.86Å; F248-I251 WeakPolarHBondContact O-CB 3.34Å; F248-I251 PolarHBondContact O-N 3Å; F248-I251 VanDerWaalsContact O-N 3.16Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-I251 PolarHBondContact O-N 3.16Å; I251-V253 PolarHBondContact O-N 3.28Å; I251-V254 PolarHBondContact O-N 2.79Å; I251-I255 HydrophobicContact CG2-CD1 3.52Å; I251-I255 HydrophobicContact CG2-CG1 4.28Å; I251-I255 WeakPolarHBondContact O-CG1 3.38Å; I251-I255 PolarHBondContact O-N 3.35Å
252T97.4Very high95.1Very high6 Ų659.4 Ų59.44%0.03730%0.301CS..Hα-helixtrans-67.6-34.2-174.266.80000112.9A58 L59 F248 E249 I255 N256A58-T252 HydrophobicContact CB-CG2 3.87Å; L59-T252 HydrophobicContact CD1-CG2 3.97Å; L59-T252 HydrophobicContact CD2-CG2 3.77Å; L59-T252 HydrophobicContact CG-CG2 3.7Å; F248-T252 HydrophobicContact CD1-CG2 4.09Å; F248-T252 HydrophobicContact CD2-CG2 3.84Å; F248-T252 HydrophobicContact CE1-CG2 3.78Å; F248-T252 HydrophobicContact CE2-CG2 3.5Å; F248-T252 VanDerWaalsContact CE2-CG2 3.5Å; F248-T252 HydrophobicContact CG-CG2 4.13Å; F248-T252 HydrophobicContact CZ-CG2 3.47Å; F248-T252 VanDerWaalsContact CZ-CG2 3.47Å; F248-T252 WeakPolarHBondContact O-CG2 3.43Å; F248-T252 PolarHBondContact O-N 3.29Å; E249-T252 WeakPolarHBondContact CA-OG1 3.47Å; E249-T252 PolarHBondContact O-N 3.04Å; E249-T252 VanDerWaalsContact O-N 3.12Å; E249-T252 PolarHBondContact O-OG1 2.66Å; T252-I255 PolarHBondContact O-N 3.26Å; T252-N256 WeakPolarHBondContact O-CB 3.14Å; T252-N256 PolarHBondContact O-N 3.09Å; T252-N256 PolarHBondContact O-ND2 2.87Å
253V97.8Very high95.6Very high92 Ų9255.1 Ų55.156%0.55828%0.279SS*.Hα-helixtrans-62.1-45.1175.4169.10000110.8E249 I251 T257E249-V253 WeakPolarHBondContact O-CG2 3.23Å; E249-V253 PolarHBondContact O-N 2.99Å; I251-V253 PolarHBondContact O-N 3.28Å; V253-T257 WeakPolarHBondContact O-CB 3.32Å; V253-T257 PolarHBondContact O-N 3.1Å; V253-T257 VanDerWaalsContact O-N 3.11Å; V253-T257 PolarHBondContact O-OG1 3.36Å
254V97.7Very high96.2Very high27 Ų2753.4 Ų53.416%0.16427%0.272CS..Hα-helixtrans-64.3-45.8177.51760000110.7A205 T209 I251 T257 A258A205-V254 HydrophobicContact CB-CB 4.14Å; A205-V254 HydrophobicContact CB-CG1 4.33Å; A205-V254 HydrophobicContact CB-CG2 3.88Å; T209-V254 WeakPolarHBondContact OG1-CG1 3.35Å; I251-V254 PolarHBondContact O-N 2.79Å; V254-T257 PolarHBondContact O-N 3.48Å; V254-A258 WeakPolarHBondContact O-CB 3.47Å; V254-A258 PolarHBondContact O-N 2.97Å
255I98.4Very high96.6Very high0 Ų056.1 Ų56.10%029%0.289CS..Hα-helixtrans-60.4-50.7177.4-71.1168.7000111.6L59 I62 Y208 I212 I234 F238 I251 T252 T257 A258 L259L59-I255 HydrophobicContact CD2-CB 4.47Å; L59-I255 HydrophobicContact CD2-CG2 4.12Å; I62-I255 HydrophobicContact CD1-CG2 3.83Å; Y208-I255 HydrophobicContact CD1-CD1 3.65Å; Y208-I255 HydrophobicContact CD1-CG1 3.9Å; Y208-I255 HydrophobicContact CD2-CD1 4.25Å; Y208-I255 HydrophobicContact CD2-CG1 4.4Å; Y208-I255 HydrophobicContact CE1-CD1 3.87Å; Y208-I255 HydrophobicContact CE2-CD1 4.42Å; Y208-I255 HydrophobicContact CG-CD1 3.85Å; Y208-I255 HydrophobicContact CG-CG1 3.78Å; I212-I255 HydrophobicContact CD1-CG2 4.35Å; I234-I255 HydrophobicContact CD1-CD1 4.02Å; I234-I255 HydrophobicContact CD1-CG2 3.96Å; F238-I255 HydrophobicContact CE1-CD1 3.64Å; F238-I255 HydrophobicContact CZ-CD1 4.12Å; I251-I255 HydrophobicContact CG2-CD1 3.52Å; I251-I255 HydrophobicContact CG2-CG1 4.28Å; I251-I255 WeakPolarHBondContact O-CG1 3.38Å; I251-I255 PolarHBondContact O-N 3.35Å; T252-I255 PolarHBondContact O-N 3.26Å; I255-T257 VanDerWaalsContact C-N 3.3Å; I255-T257 PolarHBondContact O-N 3.32Å; I255-A258 PolarHBondContact O-N 2.91Å; I255-A258 VanDerWaalsContact O-N 3.16Å; I255-L259 HydrophobicContact CG2-CD1 3.79Å; I255-L259 HydrophobicContact CG2-CG 4.12Å; I255-L259 WeakPolarHBondContact O-CB 3.41Å; I255-L259 WeakPolarHBondContact O-CG 3.46Å; I255-L259 PolarHBondContact O-N 3.17Å
256N98.4Very high96.9Very high35 Ų3554.2 Ų54.219%0.18728%0.284CS..Hα-helixtrans-59-44-179-76-35.3000111A58 T252 A258 L259 D260A58-N256 PolarHBondContact O-ND2 3.14Å; T252-N256 WeakPolarHBondContact O-CB 3.14Å; T252-N256 PolarHBondContact O-N 3.09Å; T252-N256 PolarHBondContact O-ND2 2.87Å; N256-A258 PolarHBondContact O-N 2.86Å; N256-L259 PolarHBondContact O-N 2.92Å; N256-D260 PolarHBondContact O-N 3.13Å
257T98.4Very high97.1Very high94 Ų9455.1 Ų55.158%0.57729%0.293SS*.Hα-helixtrans-60.4-43.7176.6-55.90000111.8V253 V254 I255 K261V253-T257 WeakPolarHBondContact O-CB 3.32Å; V253-T257 PolarHBondContact O-N 3.1Å; V253-T257 VanDerWaalsContact O-N 3.11Å; V253-T257 PolarHBondContact O-OG1 3.36Å; V254-T257 PolarHBondContact O-N 3.48Å; I255-T257 VanDerWaalsContact C-N 3.3Å; I255-T257 PolarHBondContact O-N 3.32Å; T257-K261 PolarHBondContact O-N 3.32Å
258A98.5Very high97.2Very high3 Ų354.6 Ų54.63%0.02531%0.308CS..Hα-helixtrans-67.5-41.2177.200000112.1T209 I212 V254 I255 N256 K261 Y262T209-A258 HydrophobicContact CG2-CB 4.28Å; I212-A258 HydrophobicContact CB-CB 4.29Å; I212-A258 HydrophobicContact CD1-CB 3.67Å; I212-A258 HydrophobicContact CG2-CB 4.18Å; V254-A258 WeakPolarHBondContact O-CB 3.47Å; V254-A258 PolarHBondContact O-N 2.97Å; I255-A258 PolarHBondContact O-N 2.91Å; I255-A258 VanDerWaalsContact O-N 3.16Å; N256-A258 PolarHBondContact O-N 2.86Å; A258-K261 PolarHBondContact O-N 3.39Å; A258-Y262 HydrophobicContact CB-CD2 4.43Å; A258-Y262 WeakPolarHBondContact O-CD2 3.19Å; A258-Y262 PolarHBondContact O-N 2.85Å
259L98.6Very high97.3Very high0 Ų055.4 Ų55.40%031%0.313CS..Hα-helixtrans-63.7-42.4176.9-71.2179.1000111.8I62 I212 L232 I255 N256 K261 F263 V271I62-L259 HydrophobicContact CD1-CD1 3.57Å; I62-L259 HydrophobicContact CG1-CD1 3.99Å; I212-L259 HydrophobicContact CD1-CD2 4.13Å; I212-L259 HydrophobicContact CD1-CG 4.26Å; I212-L259 HydrophobicContact CG1-CD2 4.5Å; I212-L259 HydrophobicContact CG2-CD2 4.31Å; L232-L259 HydrophobicContact CD2-CD2 3.59Å; I255-L259 HydrophobicContact CG2-CD1 3.79Å; I255-L259 HydrophobicContact CG2-CG 4.12Å; I255-L259 WeakPolarHBondContact O-CB 3.41Å; I255-L259 WeakPolarHBondContact O-CG 3.46Å; I255-L259 PolarHBondContact O-N 3.17Å; N256-L259 PolarHBondContact O-N 2.92Å; L259-K261 PolarHBondContact O-N 3.38Å; L259-F263 HydrophobicContact CD2-CD2 4.48Å; L259-F263 CarbonylContact O-C 3.52Å; L259-F263 VanDerWaalsContact O-CA 3.29Å; L259-F263 WeakPolarHBondContact O-CA 3.41Å; L259-F263 PolarHBondContact O-N 3.02Å; L259-V271 HydrophobicContact CD1-CG1 4.15Å; L259-V271 HydrophobicContact CD2-CG1 4.23Å; L259-V271 HydrophobicContact CD2-CG2 4.34Å
260D98.2Very high97.4Very high93 Ų9357 Ų5750%0.49732%0.316SS..Hα-helixtrans-62-34.4176.7-70.5-15.1000112R61 N256R61-D260 IonicContact CZ-OD1 2.62Å; R61-D260 IonicContact NH1-OD1 3.81Å; R61-D260 PolarHBondContact NH1-OD1 2.9Å; N256-D260 PolarHBondContact O-N 3.13Å
261K98.5Very high97.5Very high144 Ų14452.3 Ų52.363%0.62630%0.295SS*.Hα-helixtrans-74.7-46.7178.3-179179.9176.6-168.20113.5T257 A258 L259T257-K261 PolarHBondContact O-N 3.32Å; A258-K261 PolarHBondContact O-N 3.39Å; L259-K261 PolarHBondContact O-N 3.38Å
262Y98.7Very high97.6Very high59 Ų5952.3 Ų52.323%0.23129%0.294CS..Hα-helixtrans-101.7-25.6-168.3-67.6-71.2000113.8I212 A213 R216 A258I212-Y262 HydrophobicContact CG2-CD2 3.91Å; I212-Y262 HydrophobicContact CG2-CG 4.24Å; A213-Y262 HydrophobicContact CB-CD1 4.41Å; A213-Y262 HydrophobicContact CB-CD2 4.38Å; A213-Y262 HydrophobicContact CB-CE1 3.82Å; A213-Y262 HydrophobicContact CB-CE2 3.82Å; R216-Y262 HydrophobicContact CB-CD1 4.1Å; R216-Y262 HydrophobicContact CB-CG 4.48Å; R216-Y262 WeakPolarHBondContact CD-O 3Å; R216-Y262 HydrophobicContact CG-CD1 4.16Å; A258-Y262 HydrophobicContact CB-CD2 4.43Å; A258-Y262 WeakPolarHBondContact O-CD2 3.19Å; A258-Y262 PolarHBondContact O-N 2.85Å
263F98.4Very high97.7Very high0 Ų052 Ų520%029%0.293CS..SBendtrans-139.464.9-177.8-66-83.3000109.6R61 I212 A215 R216 F219 L232 L259 V269R61-F263 PolarHBondContact NH2-O 3.39Å; I212-F263 HydrophobicContact CG2-CD2 3.85Å; I212-F263 HydrophobicContact CG2-CE2 3.93Å; I212-F263 WeakPolarHBondContact O-CE2 3.48Å; A215-F263 HydrophobicContact CB-CE2 4.42Å; A215-F263 HydrophobicContact CB-CZ 4.29Å; R216-F263 HydrophobicContact CB-CE2 4Å; R216-F263 HydrophobicContact CB-CZ 3.96Å; F219-F263 HydrophobicContact CB-CE1 4.49Å; F219-F263 AromaticContact CD1-CE1 3.91Å; F219-F263 HydrophobicContact CD1-CE1 3.91Å; F219-F263 AromaticContact CD2-CE1 3.75Å; F219-F263 HydrophobicContact CD2-CE1 3.75Å; F219-F263 AromaticContact CD2-CZ 3.84Å; F219-F263 HydrophobicContact CD2-CZ 3.84Å; F219-F263 AromaticContact CE1-CE1 3.92Å; F219-F263 HydrophobicContact CE1-CE1 3.92Å; F219-F263 AromaticContact CE2-CE1 3.75Å; F219-F263 HydrophobicContact CE2-CE1 3.75Å; F219-F263 AromaticContact CE2-CZ 3.94Å; F219-F263 HydrophobicContact CE2-CZ 3.94Å; F219-F263 AromaticContact CG-CE1 3.81Å; F219-F263 HydrophobicContact CG-CE1 3.81Å; F219-F263 HydrophobicContact CG-CZ 4.26Å; F219-F263 AromaticContact CZ-CE1 3.83Å; F219-F263 HydrophobicContact CZ-CE1 3.83Å; F219-F263 HydrophobicContact CZ-CZ 4.45Å; L232-F263 HydrophobicContact CD1-CE2 4.33Å; L232-F263 HydrophobicContact CD1-CZ 4.28Å; L232-F263 HydrophobicContact CD2-CD2 3.59Å; L232-F263 HydrophobicContact CD2-CE2 3.67Å; L232-F263 HydrophobicContact CD2-CG 4.05Å; L232-F263 HydrophobicContact CD2-CZ 4.18Å; L259-F263 HydrophobicContact CD2-CD2 4.48Å; L259-F263 CarbonylContact O-C 3.52Å; L259-F263 VanDerWaalsContact O-CA 3.29Å; L259-F263 WeakPolarHBondContact O-CA 3.41Å; L259-F263 PolarHBondContact O-N 3.02Å; F263-V269 HydrophobicContact CD1-CB 4.25Å; F263-V269 HydrophobicContact CD1-CG1 4.03Å; F263-V269 HydrophobicContact CD1-CG2 4.04Å
264P97.3Very high97.7Very high49 Ų4948.1 Ų48.132%0.31827%0.268SS..  trans-62157.3-177.229.6-37.5000111.4D266 S267P264-D266 VanDerWaalsContact CB-OD1 3.22Å; P264-D266 WeakPolarHBondContact CB-OD1 3.33Å; P264-D266 VanDerWaalsContact CG-OD1 3.26Å; P264-D266 WeakPolarHBondContact CG-OD1 3.41Å; P264-D266 PolarHBondContact O-N 2.87Å; P264-D266 VanDerWaalsContact O-N 3.16Å; P264-S267 VanDerWaalsContact O-CB 3.26Å; P264-S267 WeakPolarHBondContact O-CB 3.39Å; P264-S267 PolarHBondContact O-N 2.85Å; P264-S267 PolarHBondContact O-OG 2.95Å
265V94.3Very high97.8Very high109 Ų10946.9 Ų46.966%0.66126%0.261SS*.G310 helixtrans-56.8-35-172.8175.90000112.8S267 G268V265-S267 PolarHBondContact O-N 2.84Å; V265-G268 PolarHBondContact O-N 2.82Å
266D95.2Very high97.8Very high143 Ų14347.1 Ų47.177%0.76526%0.263SS*.G310 helixtrans-72.9-11.8179.662.3-19.9000114P264 G268P264-D266 VanDerWaalsContact CB-OD1 3.22Å; P264-D266 WeakPolarHBondContact CB-OD1 3.33Å; P264-D266 VanDerWaalsContact CG-OD1 3.26Å; P264-D266 WeakPolarHBondContact CG-OD1 3.41Å; P264-D266 PolarHBondContact O-N 2.87Å; P264-D266 VanDerWaalsContact O-N 3.16Å; D266-G268 PolarHBondContact O-N 3.17Å
267S94.7Very high97.7Very high51 Ų5147.6 Ų47.636%0.35726%0.263SS..G310 helixtrans-67.6-15.4172.369.30000113.5P264 V265 V269P264-S267 VanDerWaalsContact O-CB 3.26Å; P264-S267 WeakPolarHBondContact O-CB 3.39Å; P264-S267 PolarHBondContact O-N 2.85Å; P264-S267 PolarHBondContact O-OG 2.95Å; V265-S267 PolarHBondContact O-N 2.84Å; S267-V269 PolarHBondContact O-N 2.78Å
268G95.1Very high97.7Very high61 Ų6143.2 Ų43.263%0.62924%0.235SC*.  trans75.23.3-178.400000114.7V265 D266 R270V265-G268 PolarHBondContact O-N 2.82Å; D266-G268 PolarHBondContact O-N 3.17Å; G268-R270 PolarHBondContact O-N 3.04Å
269V98.3Very high97.7Very high20 Ų2043 Ų4312%0.12123%0.234CC..  trans-71.8124.9179.7176.10000110.9F219 L232 F263 S267F219-V269 HydrophobicContact CE1-CG1 4.23Å; F219-V269 HydrophobicContact CE1-CG2 3.92Å; F219-V269 HydrophobicContact CZ-CG1 4.21Å; L232-V269 HydrophobicContact CB-CG1 3.95Å; F263-V269 HydrophobicContact CD1-CB 4.25Å; F263-V269 HydrophobicContact CD1-CG1 4.03Å; F263-V269 HydrophobicContact CD1-CG2 4.04Å; S267-V269 PolarHBondContact O-N 2.78Å
270R98.6Very high97.7Very high108 Ų10843 Ų4341%0.40823%0.234SC..EExtended strand (participates in β ladder)trans-76.4128.4167.7-179.9-177.6177.5-167.22.3109.2D230 L231 L232 G268 I272D230-R270 WeakPolarHBondContact O-CB 3.26Å; D230-R270 PolarHBondContact O-N 2.86Å; L231-R270 WeakPolarHBondContact CA-O 3.46Å; L231-R270 HydrophobicContact CD1-CB 4.26Å; L231-R270 HydrophobicContact CD1-CG 4.09Å; L232-R270 PolarHBondContact N-O 3Å; G268-R270 PolarHBondContact O-N 3.04Å; R270-I272 HydrophobicContact CG-CG2 4.24Å
271V98.8Very high97.7Very high4 Ų438.8 Ų38.82%0.02421%0.212CC..EExtended strand (participates in β ladder)trans-107.9129.7175.4-166.20000110.1I62 T63 L232 I234 L259I62-V271 WeakPolarHBondContact CA-O 3.45Å; I62-V271 HydrophobicContact CD1-CG1 4.2Å; I62-V271 HydrophobicContact CG1-CB 4.33Å; I62-V271 HydrophobicContact CG1-CG1 3.98Å; I62-V271 HydrophobicContact CG2-CG1 4.17Å; T63-V271 PolarHBondContact N-O 3.15Å; L232-V271 HydrophobicContact CB-CG1 4.48Å; L232-V271 HydrophobicContact CB-CG2 4.49Å; L232-V271 HydrophobicContact CD2-CG1 4.29Å; L232-V271 HydrophobicContact CG-CG1 4.44Å; L232-V271 CarbonylContact O-C 3.53Å; L232-V271 VanDerWaalsContact O-CA 3.31Å; L232-V271 WeakPolarHBondContact O-CA 3.47Å; I234-V271 HydrophobicContact CG2-CG1 4.1Å; L259-V271 HydrophobicContact CD1-CG1 4.15Å; L259-V271 HydrophobicContact CD2-CG1 4.23Å; L259-V271 HydrophobicContact CD2-CG2 4.34Å
272I98.9Very high97.7Very high0 Ų033.6 Ų33.60%019%0.194CC..EExtended strand (participates in β ladder)trans-124.5169.1173.172.3170.3000110.2T63 F65 I109 L231 L232 D233 I234 R270T63-I272 VanDerWaalsContact O-CA 3.26Å; T63-I272 WeakPolarHBondContact O-CA 3.45Å; T63-I272 WeakPolarHBondContact O-CB 3.41Å; F65-I272 HydrophobicContact CD2-CB 3.92Å; F65-I272 HydrophobicContact CD2-CD1 4.17Å; F65-I272 HydrophobicContact CD2-CG2 4.11Å; F65-I272 HydrophobicContact CE2-CB 4.03Å; F65-I272 HydrophobicContact CE2-CD1 4.26Å; F65-I272 HydrophobicContact CE2-CG2 3.68Å; F65-I272 HydrophobicContact CG-CD1 4.45Å; I109-I272 HydrophobicContact CD1-CD1 3.96Å; L231-I272 HydrophobicContact CD1-CD1 4.16Å; L231-I272 HydrophobicContact CD1-CG1 4.1Å; L231-I272 HydrophobicContact CD1-CG2 3.86Å; L231-I272 HydrophobicContact CD2-CD1 4.41Å; L232-I272 PolarHBondContact O-N 2.82Å; D233-I272 WeakPolarHBondContact CA-O 3.48Å; D233-I272 HydrophobicContact CB-CD1 4.02Å; D233-I272 HydrophobicContact CB-CG1 3.58Å; I234-I272 WeakPolarHBondContact CG1-O 3.46Å; I234-I272 PolarHBondContact N-O 3.35Å; R270-I272 HydrophobicContact CG-CG2 4.24Å
273A98.8Very high97.7Very high0 Ų031 Ų310%018%0.184CC..EExtended strand (participates in β ladder)trans-145.6165.5172.700000110.4W55 I62 T63 F65 I234 G235 F238 P275W55-A273 HydrophobicContact CH2-CB 3.53Å; W55-A273 HydrophobicContact CZ2-CB 3.59Å; I62-A273 HydrophobicContact CG2-CB 3.7Å; T63-A273 PolarHBondContact O-N 3.43Å; T63-A273 VanDerWaalsContact O-N 3.13Å; F65-A273 WeakPolarHBondContact CA-O 3.41Å; F65-A273 WeakPolarHBondContact CB-O 3.41Å; F65-A273 PolarHBondContact N-O 3.01Å; I234-A273 HydrophobicContact CD1-CB 4.12Å; I234-A273 HydrophobicContact CG1-CB 3.57Å; G235-A273 WeakPolarHBondContact O-CB 3.34Å; F238-A273 HydrophobicContact CE2-CB 4.32Å; A273-P275 WeakPolarHBondContact O-CD 3.36Å
274E98.8Very high97.7Very high10 Ų1031 Ų315%0.04718%0.184CC..  trans-116.153.6-176.9-56.4175.2156.800113.2F65 D88 A111 D233 G235 G276F65-E274 CarbonylContact O-C 3.58Å; F65-E274 VanDerWaalsContact O-CA 3.24Å; F65-E274 WeakPolarHBondContact O-CA 3.48Å; D88-E274 HydrophobicContact CB-CB 4.3Å; D88-E274 HydrophobicContact CB-CG 4.11Å; A111-E274 WeakPolarHBondContact CB-OE1 3.49Å; D233-E274 VanDerWaalsContact OD2-OE1 3.08Å; G235-E274 PolarHBondContact O-N 3.03Å; E274-G276 PolarHBondContact O-N 3.33Å
275P98.4Very high97.7Very high1 Ų129.9 Ų29.91%0.00618%0.177CC..  trans-68.1118.5-178.929.3-36.6000112W55 P64 F65 Y66 A67 F238 A273 F278 Y279W55-P275 HydrophobicContact CE3-CB 4.35Å; W55-P275 HydrophobicContact CE3-CG 4.24Å; W55-P275 HydrophobicContact CH2-CB 4.13Å; W55-P275 HydrophobicContact CH2-CG 3.83Å; W55-P275 HydrophobicContact CZ2-CG 4.37Å; W55-P275 HydrophobicContact CZ3-CB 3.71Å; W55-P275 HydrophobicContact CZ3-CG 3.76Å; P64-P275 HydrophobicContact CB-CG 3.86Å; F65-P275 WeakPolarHBondContact O-CD 3.47Å; Y66-P275 WeakPolarHBondContact CD2-O 3.32Å; A67-P275 PolarHBondContact N-O 3.23Å; F238-P275 HydrophobicContact CD2-CB 4.12Å; A273-P275 WeakPolarHBondContact O-CD 3.36Å; P275-F278 HydrophobicContact CB-CB 4.1Å; P275-F278 HydrophobicContact CB-CD1 4.44Å; P275-Y279 HydrophobicContact CB-CD2 4.06Å; P275-Y279 HydrophobicContact CB-CE2 4.11Å; P275-Y279 HydrophobicContact CG-CD2 3.95Å; P275-Y279 HydrophobicContact CG-CE2 3.56Å
276G98Very high97.9Very high5 Ų524.7 Ų24.75%0.05215%0.145CC..SBendtrans-97-81.3167.400000111.6C70 E274 F278 Y279C70-G276 VanDerWaalsContact SG-C 3.5Å; E274-G276 PolarHBondContact O-N 3.33Å; G276-F278 PolarHBondContact O-N 3.42Å; G276-F278 VanDerWaalsContact O-N 3.11Å; G276-Y279 PolarHBondContact O-N 3.05Å; G276-Y279 VanDerWaalsContact O-N 3.1Å
277R97.5Very high98.1Very high45 Ų4517.9 Ų17.917%0.1711%0.109CC..Hα-helixtrans-50-41.1-174.8-176-172.4-46.7-74.1-0.9113.7C70 S200 Y279 V280 A281 D333 A389 Y390C70-R277 PolarHBondContact SG-N 3.31Å; S200-R277 PolarHBondContact OG-NH2 3.45Å; R277-Y279 PolarHBondContact O-N 3.42Å; R277-Y279 VanDerWaalsContact O-N 3.14Å; R277-V280 PolarHBondContact O-N 3Å; R277-V280 VanDerWaalsContact O-N 3.11Å; R277-A281 HydrophobicContact CG-CB 3.71Å; R277-A281 WeakPolarHBondContact O-CB 3.4Å; R277-A281 PolarHBondContact O-N 3.33Å; R277-D333 IonicContact CZ-OD1 3.8Å; R277-D333 IonicContact CZ-OD2 2.89Å; R277-D333 IonicContact NH1-OD2 2.8Å; R277-D333 PolarHBondContact NH1-OD2 3Å; R277-D333 IonicContact NH2-OD1 3.65Å; R277-D333 PolarHBondContact NH2-OD1 2.9Å; R277-D333 IonicContact NH2-OD2 3.97Å; R277-D333 PolarHBondContact NH2-OD2 3.34Å; R277-A389 HydrophobicContact CB-CB 3.94Å; R277-A389 HydrophobicContact CG-CB 3.59Å; R277-Y390 HydrophobicContact CB-CE2 4.43Å
278F98.2Very high98.2Very high2 Ų215.5 Ų15.51%0.0099%0.092CC..Hα-helixtrans-45.9-45.4179.5173.3-98.2000112.9K51 R54 W55 F238 P239 F248 P275 G276K51-F278 HydrophobicContact CB-CD1 4.41Å; K51-F278 HydrophobicContact CB-CE1 3.85Å; K51-F278 HydrophobicContact CB-CZ 4.22Å; K51-F278 HydrophobicContact CD-CE1 4.48Å; K51-F278 HydrophobicContact CD-CE2 4.3Å; K51-F278 HydrophobicContact CD-CZ 4.18Å; K51-F278 WeakPolarHBondContact CD-O 3.4Å; K51-F278 PolarHBondContact NZ-O 2.98Å; K51-F278 VanDerWaalsContact O-CE1 3.28Å; K51-F278 WeakPolarHBondContact O-CE1 3.4Å; K51-F278 WeakPolarHBondContact O-CZ 3.45Å; R54-F278 HydrophobicContact CB-CZ 4.44Å; W55-F278 HydrophobicContact CB-CE1 3.91Å; W55-F278 HydrophobicContact CB-CZ 4.22Å; W55-F278 AromaticContact CE3-CD1 3.91Å; W55-F278 HydrophobicContact CE3-CD1 3.91Å; W55-F278 AromaticContact CE3-CE1 3.78Å; W55-F278 HydrophobicContact CE3-CE1 3.78Å; W55-F278 HydrophobicContact CE3-CG 4.49Å; W55-F278 HydrophobicContact CE3-CZ 4.27Å; W55-F278 HydrophobicContact CZ3-CD1 4.49Å; F238-F278 HydrophobicContact CB-CB 3.97Å; F238-F278 HydrophobicContact CB-CD2 4.26Å; F238-F278 HydrophobicContact CB-CG 4.38Å; P239-F278 WeakPolarHBondContact O-CD2 3.46Å; F248-F278 HydrophobicContact CB-CE2 4.35Å; F248-F278 AromaticContact CD1-CE2 3.68Å; F248-F278 HydrophobicContact CD1-CE2 3.68Å; F248-F278 HydrophobicContact CD1-CZ 4.24Å; F248-F278 AromaticContact CD2-CD2 3.8Å; F248-F278 HydrophobicContact CD2-CD2 3.8Å; F248-F278 AromaticContact CD2-CE2 3.59Å; F248-F278 HydrophobicContact CD2-CE2 3.59Å; F248-F278 HydrophobicContact CD2-CZ 4.5Å; F248-F278 AromaticContact CE1-CE2 3.73Å; F248-F278 HydrophobicContact CE1-CE2 3.73Å; F248-F278 AromaticContact CE1-CZ 3.86Å; F248-F278 HydrophobicContact CE1-CZ 3.86Å; F248-F278 AromaticContact CE2-CD2 3.97Å; F248-F278 HydrophobicContact CE2-CD2 3.97Å; F248-F278 AromaticContact CE2-CE2 3.66Å; F248-F278 HydrophobicContact CE2-CE2 3.66Å; F248-F278 HydrophobicContact CE2-CZ 4.17Å; F248-F278 HydrophobicContact CG-CD2 4.16Å; F248-F278 AromaticContact CG-CE2 3.6Å; F248-F278 HydrophobicContact CG-CE2 3.6Å; F248-F278 HydrophobicContact CZ-CD2 4.46Å; F248-F278 AromaticContact CZ-CE2 3.73Å; F248-F278 HydrophobicContact CZ-CE2 3.73Å; F248-F278 AromaticContact CZ-CZ 3.83Å; F248-F278 HydrophobicContact CZ-CZ 3.83Å; P275-F278 HydrophobicContact CB-CB 4.1Å; P275-F278 HydrophobicContact CB-CD1 4.44Å; G276-F278 PolarHBondContact O-N 3.42Å; G276-F278 VanDerWaalsContact O-N 3.11Å
279Y98.8Very high98.4Very high0 Ų013 Ų130%06%0.064CC..Hα-helixtrans-75-30.7-175.1-87.9-72.2000114.3V48 K51 H52 P64 Y66 L80 P275 G276 R277V48-Y279 HydrophobicContact CG1-CD1 4.19Å; K51-Y279 HydrophobicContact CB-CD1 4.03Å; K51-Y279 HydrophobicContact CB-CE1 4.44Å; H52-Y279 HydrophobicContact CB-CE1 3.84Å; H52-Y279 AromaticContact ND1-CE1 3.92Å; H52-Y279 AromaticContact ND1-CZ 3.85Å; H52-Y279 PolarHBondContact ND1-OH 2.62Å; P64-Y279 HydrophobicContact CB-CE2 4.02Å; P64-Y279 WeakPolarHBondContact CB-OH 3.45Å; P64-Y279 VanDerWaalsContact CG-OH 3.26Å; P64-Y279 WeakPolarHBondContact CG-OH 3.4Å; Y66-Y279 AromaticContact CD2-CD2 3.99Å; Y66-Y279 HydrophobicContact CD2-CD2 3.99Å; Y66-Y279 HydrophobicContact CD2-CG 4.3Å; L80-Y279 HydrophobicContact CD2-CD1 3.51Å; L80-Y279 HydrophobicContact CD2-CE1 3.58Å; L80-Y279 HydrophobicContact CD2-CG 4.06Å; P275-Y279 HydrophobicContact CB-CD2 4.06Å; P275-Y279 HydrophobicContact CB-CE2 4.11Å; P275-Y279 HydrophobicContact CG-CD2 3.95Å; P275-Y279 HydrophobicContact CG-CE2 3.56Å; G276-Y279 PolarHBondContact O-N 3.05Å; G276-Y279 VanDerWaalsContact O-N 3.1Å; R277-Y279 PolarHBondContact O-N 3.42Å; R277-Y279 VanDerWaalsContact O-N 3.14Å
280V98.6Very high98.3Very high0 Ų012 Ų120%06%0.059CC..Hα-helixtrans-125-18.2-160.5-62.50000115.3Y66 N71 V76 R277 S282 A283 G388 A389Y66-V280 HydrophobicContact CE2-CG1 3.98Å; N71-V280 HydrophobicContact CB-CB 4.48Å; N71-V280 HydrophobicContact CB-CG2 4.09Å; V76-V280 HydrophobicContact CG1-CG1 3.61Å; R277-V280 PolarHBondContact O-N 3Å; R277-V280 VanDerWaalsContact O-N 3.11Å; V280-S282 PolarHBondContact O-N 3.04Å; V280-A283 WeakPolarHBondContact O-CB 3.46Å; V280-A283 PolarHBondContact O-N 2.97Å; V280-A283 VanDerWaalsContact O-N 3.17Å; V280-G388 WeakPolarHBondContact CG2-O 3.46Å; V280-G388 WeakPolarHBondContact O-CA 3.09Å; V280-A389 HydrophobicContact CG2-CB 4.15Å
281A97.9Very high98.3Very high4 Ų410.6 Ų10.63%0.0336%0.058CC..G310 helixtrans-57.2-58.5-171.600000112.9R277 A283 N386 M387 G388 A389R277-A281 HydrophobicContact CG-CB 3.71Å; R277-A281 WeakPolarHBondContact O-CB 3.4Å; R277-A281 PolarHBondContact O-N 3.33Å; A281-A283 PolarHBondContact O-N 3.33Å; A281-N386 CarbonylContact O-C 3.24Å; A281-N386 WeakPolarHBondContact O-CA 3.38Å; A281-M387 PolarHBondContact O-N 3.26Å; A281-G388 PolarHBondContact O-N 2.8Å; A281-G388 VanDerWaalsContact O-N 3.08Å; A281-A389 HydrophobicContact CB-CB 4Å
282S98Very high98.3Very high35 Ų3512.4 Ų12.425%0.2457%0.073CC..G310 helixtrans-71.5-11.4178.755.50000114.8D47 K51 G240 V280 Y284 N386D47-S282 PolarHBondContact OD2-OG 2.88Å; K51-S282 WeakPolarHBondContact CE-OG 3.05Å; K51-S282 PolarHBondContact NZ-OG 2.93Å; G240-S282 PolarHBondContact O-N 2.8Å; G240-S282 PolarHBondContact O-OG 2.79Å; V280-S282 PolarHBondContact O-N 3.04Å; S282-Y284 PolarHBondContact O-N 3.34Å; S282-N386 WeakPolarHBondContact CA-OD1 3.39Å
283A98.4Very high98.3Very high3 Ų314.6 Ų14.63%0.0258%0.083CC..G310 helixtrans-74-14.8-178.500000112.4C43 D44 D47 V48 V280 A281C43-A283 CarbonylContact C-O 3.48Å; C43-A283 WeakPolarHBondContact CA-O 3.44Å; D44-A283 PolarHBondContact N-O 3.37Å; D47-A283 HydrophobicContact CB-CB 3.98Å; D47-A283 PolarHBondContact OD2-N 2.87Å; V48-A283 HydrophobicContact CG2-CB 3.99Å; V280-A283 WeakPolarHBondContact O-CB 3.46Å; V280-A283 PolarHBondContact O-N 2.97Å; V280-A283 VanDerWaalsContact O-N 3.17Å; A281-A283 PolarHBondContact O-N 3.33Å
284Y98.6Very high98.2Very high0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-119.8131.1-176.4-72.6-111.8000111.6Y41 V42 C43 N71 S73 V76 S282 N386 M387 G388 I406Y41-Y284 AromaticContact CD1-CD1 3.78Å; Y41-Y284 HydrophobicContact CD1-CD1 3.78Å; Y41-Y284 HydrophobicContact CD1-CG 4.38Å; Y41-Y284 HydrophobicContact CE1-CD1 4.26Å; Y41-Y284 HydrophobicContact CG-CD1 4.19Å; V42-Y284 WeakPolarHBondContact O-CA 3.1Å; C43-Y284 HydrophobicContact CB-CD1 3.97Å; C43-Y284 HydrophobicContact CB-CD2 4.41Å; C43-Y284 HydrophobicContact CB-CE1 3.73Å; C43-Y284 HydrophobicContact CB-CE2 4.2Å; C43-Y284 HydrophobicContact CB-CG 4.29Å; C43-Y284 WeakPolarHBondContact SG-CE2 3.48Å; N71-Y284 WeakPolarHBondContact ND2-CE2 3.45Å; N71-Y284 VanDerWaalsContact ND2-CZ 3.29Å; N71-Y284 PolarHBondContact ND2-OH 3.17Å; S73-Y284 PolarHBondContact OG-OH 3.12Å; V76-Y284 HydrophobicContact CG2-CE2 4.07Å; V76-Y284 WeakPolarHBondContact CG2-OH 3.35Å; S282-Y284 PolarHBondContact O-N 3.34Å; Y284-N386 PolarHBondContact O-N 3.35Å; Y284-M387 PolarHBondContact O-N 3.31Å; Y284-G388 VanDerWaalsContact CB-CA 3.43Å; Y284-I406 HydrophobicContact CD1-CG2 4.47Å; Y284-I406 HydrophobicContact CE1-CD1 4.31Å; Y284-I406 HydrophobicContact CE1-CG2 3.85Å
285T98.4Very high98.1Very high27 Ų2722.3 Ų22.317%0.16612%0.121CC..EExtended strand (participates in β ladder)trans-116.8122.2169-61.60000108.9V24 Y41 V42 V287 V383 E385V24-T285 HydrophobicContact CG2-CG2 4.28Å; Y41-T285 VanDerWaalsContact CA-O 3.31Å; Y41-T285 WeakPolarHBondContact CA-O 3.4Å; Y41-T285 WeakPolarHBondContact CD1-O 3.4Å; V42-T285 PolarHBondContact N-O 2.64Å; V42-T285 PolarHBondContact O-N 2.81Å; T285-V287 HydrophobicContact CG2-CG2 4.47Å; T285-V383 HydrophobicContact CG2-CG1 3.33Å; T285-E385 HydrophobicContact CG2-CG 4.34Å
286L98.7Very high97.9Very high0 Ų025.9 Ų25.90%014%0.14CC..EExtended strand (participates in β ladder)trans-90.4138174.5175.261.6000109.6Y41 V288 F327 F384 M387 P404Y41-L286 HydrophobicContact CD1-CB 3.98Å; Y41-L286 HydrophobicContact CD1-CD1 4.48Å; Y41-L286 HydrophobicContact CD2-CD1 4.03Å; Y41-L286 HydrophobicContact CE1-CB 3.51Å; Y41-L286 HydrophobicContact CE1-CD1 4.23Å; Y41-L286 HydrophobicContact CE1-CG 4.34Å; Y41-L286 HydrophobicContact CE2-CD1 3.69Å; Y41-L286 HydrophobicContact CG-CD1 4.41Å; L286-V288 HydrophobicContact CD1-CG1 4.08Å; L286-V288 HydrophobicContact CD2-CG1 4Å; L286-V288 HydrophobicContact CG-CG1 3.85Å; L286-F327 HydrophobicContact CD2-CD2 4.46Å; L286-F327 HydrophobicContact CD2-CE1 4.27Å; L286-F327 HydrophobicContact CD2-CE2 3.65Å; L286-F327 HydrophobicContact CD2-CZ 3.53Å; L286-F384 HydrophobicContact CB-CB 4.27Å; L286-F384 PolarHBondContact N-O 3.3Å; L286-F384 PolarHBondContact O-N 2.65Å; L286-M387 HydrophobicContact CB-CB 4.03Å; L286-M387 HydrophobicContact CB-CG 4.13Å; L286-M387 HydrophobicContact CD2-CE 3.85Å; L286-P404 HydrophobicContact CD1-CB 4.33Å; L286-P404 HydrophobicContact CD1-CG 4.1Å
287V98.2Very high97.4Very high0 Ų031.3 Ų31.30%017%0.165CC..EExtended strand (participates in β ladder)trans-126.2122.8177.6-172.50000107.9V24 I28 A39 F40 T285 W381 L382 V383V24-V287 HydrophobicContact CG1-CG2 3.69Å; V24-V287 HydrophobicContact CG2-CG2 4.27Å; I28-V287 HydrophobicContact CD1-CG1 3.95Å; I28-V287 HydrophobicContact CG1-CG1 4.02Å; A39-V287 VanDerWaalsContact CA-O 3.24Å; A39-V287 WeakPolarHBondContact CA-O 3.47Å; A39-V287 WeakPolarHBondContact CB-O 3.45Å; F40-V287 HydrophobicContact CD1-CB 4.24Å; F40-V287 HydrophobicContact CD2-CB 4.38Å; F40-V287 HydrophobicContact CD2-CG2 4.39Å; F40-V287 HydrophobicContact CE1-CB 3.86Å; F40-V287 HydrophobicContact CE1-CG1 3.82Å; F40-V287 HydrophobicContact CE1-CG2 4.49Å; F40-V287 HydrophobicContact CE2-CB 4.01Å; F40-V287 HydrophobicContact CE2-CG2 3.81Å; F40-V287 HydrophobicContact CG-CB 4.49Å; F40-V287 HydrophobicContact CZ-CB 3.73Å; F40-V287 HydrophobicContact CZ-CG1 3.8Å; F40-V287 HydrophobicContact CZ-CG2 3.86Å; F40-V287 PolarHBondContact N-O 2.95Å; F40-V287 PolarHBondContact O-N 2.71Å; T285-V287 HydrophobicContact CG2-CG2 4.47Å; V287-W381 HydrophobicContact CG1-CB 4.22Å; V287-W381 HydrophobicContact CG1-CD2 4.08Å; V287-W381 HydrophobicContact CG1-CE3 3.53Å; V287-W381 HydrophobicContact CG1-CG 4.42Å; V287-W381 HydrophobicContact CG1-CZ3 4.13Å; V287-L382 WeakPolarHBondContact CA-O 3.47Å; V287-V383 HydrophobicContact CG1-CG2 4.48Å; V287-V383 HydrophobicContact CG2-CG2 4.5Å
288V98.2Very high96.3Very high0 Ų033.4 Ų33.40%018%0.18CC..EExtended strand (participates in β ladder)trans-123.5145-176.8-58.50000111.1A39 L286 V319 D321 F327 W381 L382 F384A39-V288 HydrophobicContact CB-CG1 4.11Å; L286-V288 HydrophobicContact CD1-CG1 4.08Å; L286-V288 HydrophobicContact CD2-CG1 4Å; L286-V288 HydrophobicContact CG-CG1 3.85Å; V288-V319 HydrophobicContact CB-CB 4.06Å; V288-V319 HydrophobicContact CB-CG2 4.39Å; V288-V319 HydrophobicContact CG2-CB 3.82Å; V288-V319 HydrophobicContact CG2-CG1 3.85Å; V288-V319 HydrophobicContact CG2-CG2 4.02Å; V288-D321 HydrophobicContact CG1-CB 3.96Å; V288-F327 HydrophobicContact CG1-CE2 4.23Å; V288-F327 HydrophobicContact CG1-CZ 4.46Å; V288-W381 VanDerWaalsContact C-CE3 3.41Å; V288-W381 WeakPolarHBondContact O-CA 3.39Å; V288-L382 HydrophobicContact CG2-CB 3.89Å; V288-L382 PolarHBondContact N-O 3.27Å; V288-L382 PolarHBondContact O-N 2.68Å; V288-F384 HydrophobicContact CG2-CD2 4.17Å; V288-F384 HydrophobicContact CG2-CE2 3.7Å
289N97.6Very high94.6Very high9 Ų940.8 Ų40.85%0.04822%0.219CC..EExtended strand (participates in β ladder)trans-95.6139.3-178.9-165.8-102.3000110.9R37 I291 V319 N320 G379 D380 W381R37-N289 HydrophobicContact CB-CB 4.23Å; R37-N289 VanDerWaalsContact O-CB 3.3Å; R37-N289 WeakPolarHBondContact O-CB 3.27Å; N289-I291 PolarHBondContact O-N 3.49Å; N289-V319 WeakPolarHBondContact O-CA 3.45Å; N289-V319 WeakPolarHBondContact O-CB 3.41Å; N289-N320 PolarHBondContact N-OD1 2.88Å; N289-N320 PolarHBondContact O-N 3.17Å; N289-G379 VanDerWaalsContact ND2-C 3.32Å; N289-G379 PolarHBondContact ND2-O 2.79Å; N289-D380 PolarHBondContact ND2-O 3.26Å; N289-W381 HydrophobicContact CB-CD2 4.36Å; N289-W381 HydrophobicContact CB-CE3 3.83Å; N289-W381 HydrophobicContact CB-CH2 4.05Å; N289-W381 HydrophobicContact CB-CZ2 4.49Å; N289-W381 HydrophobicContact CB-CZ3 3.68Å
290I97.8Very high92.6Very high0 Ų049.9 Ų49.90%026%0.262CS..EExtended strand (participates in β ladder)trans-74.8108.2169.8-60.8179.7000108.5Y317 Y318 V319 L376 V378 G379 D380 L382I290-Y317 HydrophobicContact CD1-CD1 3.94Å; I290-Y317 HydrophobicContact CD1-CE1 4.37Å; I290-Y317 HydrophobicContact CD1-CG 4.19Å; I290-Y317 HydrophobicContact CG2-CD1 4.03Å; I290-Y318 CarbonylContact C-O 3.53Å; I290-Y318 WeakPolarHBondContact CA-O 3.47Å; I290-V319 HydrophobicContact CG1-CG1 4.19Å; I290-L376 HydrophobicContact CD1-CB 3.68Å; I290-L376 HydrophobicContact CD1-CD1 3.72Å; I290-L376 HydrophobicContact CD1-CG 4.36Å; I290-V378 CarbonylContact O-C 3.54Å; I290-V378 WeakPolarHBondContact O-CA 3.43Å; I290-V378 WeakPolarHBondContact O-CG1 3.47Å; I290-G379 PolarHBondContact O-N 2.96Å; I290-D380 HydrophobicContact CD1-CB 4.21Å; I290-D380 PolarHBondContact N-O 2.9Å; I290-L382 HydrophobicContact CD1-CD1 4.48Å; I290-L382 HydrophobicContact CD1-CG 4.36Å; I290-L382 HydrophobicContact CG1-CD1 4.41Å; I290-L382 HydrophobicContact CG1-CG 4.36Å
291I98.1Very high90.2Very high77 Ų7752.7 Ų52.740%0.39528%0.281SS..EExtended strand (participates in β ladder)trans-95.5-22.1-177.457.4169.9000113.3N289 Y318 N320 P359N289-I291 PolarHBondContact O-N 3.49Å; I291-Y318 VanDerWaalsContact CG1-O 3.25Å; I291-Y318 WeakPolarHBondContact CG1-O 3.46Å; I291-Y318 PolarHBondContact N-O 3.49Å; I291-N320 HydrophobicContact CD1-CB 4.35Å; I291-N320 HydrophobicContact CG2-CB 3.86Å; I291-P359 HydrophobicContact CD1-CB 4.16Å
292A98.5Very high87.7Confident42 Ų4257.9 Ų57.935%0.34732%0.317SS..EExtended strand (participates in β ladder)trans-151.7160172.400000111.6Y318A292-Y318 HydrophobicContact CB-CD2 3.96Å; A292-Y318 HydrophobicContact CB-CG 4.22Å; A292-Y318 PolarHBondContact N-O 2.87Å; A292-Y318 PolarHBondContact O-N 3.33Å
293K98.3Very high85.3Confident47 Ų4760.3 Ų60.320%0.20433%0.334CS..EExtended strand (participates in β ladder)trans-143.3142.3-178.6178.7-177.2176.7-1790110.8M316 Y317 D375 L376 Q377 V378K293-M316 CarbonylContact C-O 3.47Å; K293-M316 VanDerWaalsContact CA-O 3.27Å; K293-M316 WeakPolarHBondContact CA-O 3.48Å; K293-Y317 HydrophobicContact CB-CD1 4.36Å; K293-Y317 HydrophobicContact CD-CD1 4.4Å; K293-Y317 HydrophobicContact CD-CE1 3.88Å; K293-Y317 HydrophobicContact CG-CD1 4.04Å; K293-Y317 HydrophobicContact CG-CE1 3.93Å; K293-D375 VanDerWaalsContact CE-OD1 3.27Å; K293-D375 WeakPolarHBondContact CE-OD1 3.29Å; K293-D375 IonicContact NZ-OD1 2.57Å; K293-D375 PolarHBondContact NZ-OD1 3.21Å; K293-L376 WeakPolarHBondContact CD-O 3.37Å; K293-L376 VanDerWaalsContact CE-O 3.31Å; K293-L376 WeakPolarHBondContact CE-O 3.24Å; K293-L376 PolarHBondContact NZ-O 2.69Å; K293-Q377 VanDerWaalsContact NZ-NE2 3.17Å; K293-V378 HydrophobicContact CB-CG2 4.21Å
294K97.8Very high82.9Confident108 Ų10868.4 Ų68.447%0.4738%0.378SS..EExtended strand (participates in β ladder)trans-126.8147167.1-62.6174.7-178.8165.90110.2M316 Y318K294-M316 HydrophobicContact CB-CB 4.19Å; K294-M316 HydrophobicContact CB-SD 4.42Å; K294-M316 HydrophobicContact CD-SD 4.33Å; K294-M316 PolarHBondContact N-O 2.84Å; K294-M316 PolarHBondContact O-N 2.86Å; K294-Y318 HydrophobicContact CD-CE2 4.02Å; K294-Y318 HydrophobicContact CG-CE2 4.14Å; K294-Y318 PolarHBondContact NZ-OH 3.48Å
295V96.6Very high80.6Confident63 Ų6376.7 Ų76.738%0.38242%0.416SS..EExtended strand (participates in β ladder)trans-113.7122.2171.9-175.20000106.7M297 R313 L315V295-M297 HydrophobicContact CG1-CE 3.82Å; V295-M297 HydrophobicContact CG1-SD 4.19Å; V295-R313 HydrophobicContact CG1-CB 4.09Å; V295-R313 HydrophobicContact CG1-CG 4.37Å; V295-L315 HydrophobicContact CB-CD2 4.28Å; V295-L315 HydrophobicContact CG1-CD2 4.07Å; V295-L315 HydrophobicContact CG2-CD2 3.82Å
296I93.3Very high78.1Confident76 Ų7684.9 Ų84.939%0.3945%0.452SS..EExtended strand (participates in β ladder)trans-105.2124.1175-51-57.2000106.5R313 T314 M316I296-R313 CarbonylContact O-C 3.53Å; I296-R313 WeakPolarHBondContact O-CA 3.38Å; I296-R313 WeakPolarHBondContact O-CB 3.44Å; I296-T314 PolarHBondContact N-O 3.32Å; I296-T314 PolarHBondContact O-N 2.92Å; I296-M316 HydrophobicContact CD1-SD 4.17Å; I296-M316 HydrophobicContact CG1-CG 4.33Å; I296-M316 HydrophobicContact CG1-SD 4.07Å
297M88.6Confident75.7Confident119 Ų11991.9 Ų91.959%0.58649%0.49SS*.EExtended strand (participates in β ladder)trans-94.8136.9172.1-58.2-62.8-174.700107.9V295 D299 R313V295-M297 HydrophobicContact CG1-CE 3.82Å; V295-M297 HydrophobicContact CG1-SD 4.19Å; M297-D299 PolarHBondContact O-N 3.47Å; M297-R313 HydrophobicContact SD-CB 3.63Å
298D73.8Confident73.2Confident89 Ų89101.1 Ų101.148%0.47653%0.533SS..  trans-79.6115.2170.9-71.6-32.3000108.9E300 D312D298-E300 PolarHBondContact O-N 2.96Å; D298-D312 HydrophobicContact CB-CB 4.27Å; D298-D312 PolarHBondContact N-O 3.35Å
299D62.3Low70.8Confident157 Ų157104.6 Ų104.684%0.8457%0.569SS**THydrogen-bonded Turntrans-75.6-0.7-178.5-82.9-26.4000113.3M297M297-D299 PolarHBondContact O-N 3.47Å
300E56.1Low68.5Low192 Ų192109.6 Ų109.690%0.89760%0.6SS**THydrogen-bonded Turntrans-93.5-5.1-172.7-69.5-160.2163.800115.6D298 S302D298-E300 PolarHBondContact O-N 2.96Å; E300-S302 PolarHBondContact O-N 3.12Å
301S50.3Low66.5Low58 Ų58112.4 Ų112.441%0.40662%0.62SS.*  trans-88.334.9177.261.20000114.1S303 D312S301-S303 PolarHBondContact O-N 3.18Å; S301-D312 WeakPolarHBondContact CB-OD2 3.42Å; S301-D312 PolarHBondContact OG-OD2 3.46Å
302S44.2Very low65.4Low113 Ų113112.6 Ų112.679%0.7962%0.621SS**  trans-78.252.216571.10000111.5E300E300-S302 PolarHBondContact O-N 3.12Å
303S47.9Very low64.9Low86 Ų86112.8 Ų112.860%0.60161%0.613SS**SBendtrans-114.5122.6164.353.30000107.9S301 E305S301-S303 PolarHBondContact O-N 3.18Å; S303-E305 PolarHBondContact O-N 3.46Å
304D48.1Very low64.7Low174 Ų174112.5 Ų112.593%0.9362%0.615SS**  trans-64.342.1-172.7-61.9-52.6000115.2
305E50.3Low64.7Low173 Ų173107.4 Ų107.481%0.80859%0.593SS**  trans-109.8113.2172.5-65.5-165.9-175.100109.3S303 D307S303-E305 PolarHBondContact O-N 3.46Å; E305-D307 PolarHBondContact O-N 3.39Å
306E45.4Very low64.7Low199 Ų199106 Ų10693%0.9358%0.583SS**  trans-62.578.6172.2-65.8175.1164.400109.8E308E306-E308 PolarHBondContact O-N 2.88Å
307D47.9Very low65Low147 Ų147102.3 Ų102.379%0.78656%0.564SS**  trans-87.8101.6170.1-146.32.1000108.9E305 G309E305-D307 PolarHBondContact O-N 3.39Å; D307-G309 PolarHBondContact O-N 3.31Å; D307-G309 VanDerWaalsContact O-N 3.07Å
308E46.8Very low65.5Low195 Ų19599 Ų9991%0.91155%0.545SS*.  trans-65.9101175.5-72-173.5157.300110.2E306E306-E308 PolarHBondContact O-N 2.88Å
309G46.3Very low66.7Low72 Ų7294.7 Ų94.774%0.74252%0.522SS*.SBendtrans140.3-7.1142.500000120.3D307D307-G309 PolarHBondContact O-N 3.31Å; D307-G309 VanDerWaalsContact O-N 3.07Å
310T50.8Low68.4Low115 Ų11588.5 Ų88.571%0.70649%0.489SS*.  trans-117.6102175.147.40000110.2D312T310-D312 PolarHBondContact O-N 3.26Å
311S55.7Low70.4Confident59 Ų5979.8 Ų79.841%0.41345%0.449SS..  trans-65.1126.9178.475.20000110.3R313 Y352S311-R313 PolarHBondContact O-N 2.84Å; S311-R313 WeakPolarHBondContact OG-CD 3.3Å; S311-R313 WeakPolarHBondContact OG-CG 3.5Å; S311-R313 PolarHBondContact OG-NE 2.95Å; S311-Y352 WeakPolarHBondContact OG-CE1 3.43Å
312D75.6Confident72.7Confident81 Ų8177.1 Ų77.143%0.43343%0.43SS..  trans-66.456.9174.2-65.3-40.4000112.9D298 S301 T310D298-D312 HydrophobicContact CB-CB 4.27Å; D298-D312 PolarHBondContact N-O 3.35Å; S301-D312 WeakPolarHBondContact CB-OD2 3.42Å; S301-D312 PolarHBondContact OG-OD2 3.46Å; T310-D312 PolarHBondContact O-N 3.26Å
313R87.7Confident75.3Confident46 Ų4672 Ų7217%0.17440%0.395CS..EExtended strand (participates in β ladder)trans-131.4136.8179.580.9-170.1175.7148.51.1112V295 I296 M297 S311 Y352 D375V295-R313 HydrophobicContact CG1-CB 4.09Å; V295-R313 HydrophobicContact CG1-CG 4.37Å; I296-R313 CarbonylContact O-C 3.53Å; I296-R313 WeakPolarHBondContact O-CA 3.38Å; I296-R313 WeakPolarHBondContact O-CB 3.44Å; M297-R313 HydrophobicContact SD-CB 3.63Å; S311-R313 PolarHBondContact O-N 2.84Å; S311-R313 WeakPolarHBondContact OG-CD 3.3Å; S311-R313 WeakPolarHBondContact OG-CG 3.5Å; S311-R313 PolarHBondContact OG-NE 2.95Å; R313-Y352 HydrophobicContact CG-CD1 3.98Å; R313-Y352 HydrophobicContact CG-CE1 4.36Å; R313-Y352 PolarHBondContact NH2-OH 3Å; R313-Y352 VanDerWaalsContact NH2-OH 3.13Å; R313-D375 IonicContact CZ-OD2 3.34Å; R313-D375 IonicContact NH1-OD2 3.12Å; R313-D375 PolarHBondContact NH1-OD2 2.91Å; R313-D375 VanDerWaalsContact NH1-OD2 3.12Å; R313-D375 VanDerWaalsContact NH2-CG 3.29Å; R313-D375 IonicContact NH2-OD2 2.72Å; R313-D375 PolarHBondContact NH2-OD2 2.88Å
314T93.5Very high77.7Confident41 Ų4171.5 Ų71.525%0.25238%0.38SS..EExtended strand (participates in β ladder)trans-107.9138.9172-61.50000109.6I296 P353I296-T314 PolarHBondContact N-O 3.32Å; I296-T314 PolarHBondContact O-N 2.92Å; T314-P353 WeakPolarHBondContact CA-O 3.42Å
315L96.9Very high80.1Confident0 Ų063.7 Ų63.70%034%0.341CS..EExtended strand (participates in β ladder)trans-104.3142.3-178.9-55.1178000111.1V295 Y317 Y352 P353 C354 S355 D375V295-L315 HydrophobicContact CB-CD2 4.28Å; V295-L315 HydrophobicContact CG1-CD2 4.07Å; V295-L315 HydrophobicContact CG2-CD2 3.82Å; L315-Y317 HydrophobicContact CB-CE2 4.12Å; L315-Y317 WeakPolarHBondContact CD1-OH 3.24Å; L315-Y352 HydrophobicContact CD1-CD2 3.89Å; L315-Y352 HydrophobicContact CD1-CG 4.01Å; L315-P353 PolarHBondContact N-O 2.86Å; L315-C354 HydrophobicContact CB-CB 3.87Å; L315-C354 CarbonylContact O-C 3.6Å; L315-C354 WeakPolarHBondContact O-CA 3.28Å; L315-C354 WeakPolarHBondContact O-CB 3.43Å; L315-S355 PolarHBondContact O-N 3.33Å; L315-D375 HydrophobicContact CD1-CB 4.48Å
316M98.3Very high82.5Confident33 Ų3355.5 Ų55.516%0.16330%0.302CS..EExtended strand (participates in β ladder)trans-121.4121.7170.7-52176.371.200109K293 K294 I296 Y318 W357K293-M316 CarbonylContact C-O 3.47Å; K293-M316 VanDerWaalsContact CA-O 3.27Å; K293-M316 WeakPolarHBondContact CA-O 3.48Å; K294-M316 HydrophobicContact CB-CB 4.19Å; K294-M316 HydrophobicContact CB-SD 4.42Å; K294-M316 HydrophobicContact CD-SD 4.33Å; K294-M316 PolarHBondContact N-O 2.84Å; K294-M316 PolarHBondContact O-N 2.86Å; I296-M316 HydrophobicContact CD1-SD 4.17Å; I296-M316 HydrophobicContact CG1-CG 4.33Å; I296-M316 HydrophobicContact CG1-SD 4.07Å; M316-Y318 HydrophobicContact CB-CE2 4.29Å; M316-W357 HydrophobicContact CE-CD2 4.49Å; M316-W357 HydrophobicContact CE-CZ2 3.65Å; M316-W357 VanDerWaalsContact CE-NE1 3.34Å
317Y98.6Very high85Confident0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-107.8134.6176.4-59.3-63.5000110.2I290 K293 L315 C354 S355 I356 W357 L373 P374 L376I290-Y317 HydrophobicContact CD1-CD1 3.94Å; I290-Y317 HydrophobicContact CD1-CE1 4.37Å; I290-Y317 HydrophobicContact CD1-CG 4.19Å; I290-Y317 HydrophobicContact CG2-CD1 4.03Å; K293-Y317 HydrophobicContact CB-CD1 4.36Å; K293-Y317 HydrophobicContact CD-CD1 4.4Å; K293-Y317 HydrophobicContact CD-CE1 3.88Å; K293-Y317 HydrophobicContact CG-CD1 4.04Å; K293-Y317 HydrophobicContact CG-CE1 3.93Å; L315-Y317 HydrophobicContact CB-CE2 4.12Å; L315-Y317 WeakPolarHBondContact CD1-OH 3.24Å; Y317-C354 HydrophobicContact CD2-CB 4.15Å; Y317-C354 HydrophobicContact CE2-CB 3.87Å; Y317-S355 PolarHBondContact N-O 3.29Å; Y317-I356 CarbonylContact O-C 3.42Å; Y317-I356 WeakPolarHBondContact O-CA 3.36Å; Y317-W357 PolarHBondContact O-N 3Å; Y317-L373 HydrophobicContact CD2-CD1 4.43Å; Y317-L373 HydrophobicContact CE2-CB 4.47Å; Y317-L373 HydrophobicContact CE2-CD1 4.29Å; Y317-P374 PolarHBondContact OH-O 2.7Å; Y317-L376 HydrophobicContact CE1-CB 3.88Å; Y317-L376 WeakPolarHBondContact CE1-O 3.4Å; Y317-L376 HydrophobicContact CE2-CD1 4.47Å; Y317-L376 PolarHBondContact OH-N 2.63Å
318Y98.8Very high87.4Confident48 Ų4839.1 Ų39.119%0.18822%0.221CC..EExtended strand (participates in β ladder)trans-110.7129.4173.6-61.4-97.7000108.1I290 I291 A292 K294 M316 W357I290-Y318 CarbonylContact C-O 3.53Å; I290-Y318 WeakPolarHBondContact CA-O 3.47Å; I291-Y318 VanDerWaalsContact CG1-O 3.25Å; I291-Y318 WeakPolarHBondContact CG1-O 3.46Å; I291-Y318 PolarHBondContact N-O 3.49Å; A292-Y318 HydrophobicContact CB-CD2 3.96Å; A292-Y318 HydrophobicContact CB-CG 4.22Å; A292-Y318 PolarHBondContact N-O 2.87Å; A292-Y318 PolarHBondContact O-N 3.33Å; K294-Y318 HydrophobicContact CD-CE2 4.02Å; K294-Y318 HydrophobicContact CG-CE2 4.14Å; K294-Y318 PolarHBondContact NZ-OH 3.48Å; M316-Y318 HydrophobicContact CB-CE2 4.29Å; Y318-W357 CarbonylContact C-O 3.4Å; Y318-W357 WeakPolarHBondContact CA-O 3.33Å; Y318-W357 HydrophobicContact CD1-CB 3.58Å; Y318-W357 HydrophobicContact CD1-CG 4.25Å; Y318-W357 HydrophobicContact CE1-CB 3.81Å; Y318-W357 HydrophobicContact CE1-CG 4.01Å; Y318-W357 HydrophobicContact CG-CB 4.25Å
319V98.7Very high89.9Confident0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-117.8165-179-61.50000111.6V288 N289 I290 D321 I356 W357 G358 P359 I367 L382V288-V319 HydrophobicContact CB-CB 4.06Å; V288-V319 HydrophobicContact CB-CG2 4.39Å; V288-V319 HydrophobicContact CG2-CB 3.82Å; V288-V319 HydrophobicContact CG2-CG1 3.85Å; V288-V319 HydrophobicContact CG2-CG2 4.02Å; N289-V319 WeakPolarHBondContact O-CA 3.45Å; N289-V319 WeakPolarHBondContact O-CB 3.41Å; I290-V319 HydrophobicContact CG1-CG1 4.19Å; V319-D321 VanDerWaalsContact C-N 3.35Å; V319-D321 WeakPolarHBondContact CG2-O 3.42Å; V319-D321 PolarHBondContact O-N 2.83Å; V319-I356 HydrophobicContact CG1-CG2 4.18Å; V319-I356 HydrophobicContact CG2-CG2 4.09Å; V319-W357 WeakPolarHBondContact CG2-O 3.38Å; V319-W357 PolarHBondContact N-O 2.9Å; V319-G358 CarbonylContact O-C 3.57Å; V319-P359 WeakPolarHBondContact O-CB 3.38Å; V319-P359 WeakPolarHBondContact O-CD 3.38Å; V319-I367 HydrophobicContact CG2-CD1 3.47Å; V319-I367 VanDerWaalsContact CG2-CD1 3.47Å; V319-L382 HydrophobicContact CG1-CD1 4.15Å
320N98.4Very high92.3Very high27 Ų2728.7 Ų28.714%0.14415%0.154CC..SBendtrans-88.915-172.457.8-7.5000116R37 A39 N289 I291R37-N320 PolarHBondContact O-ND2 3.42Å; A39-N320 PolarHBondContact N-ND2 3.02Å; A39-N320 VanDerWaalsContact N-ND2 3.17Å; N289-N320 PolarHBondContact N-OD1 2.88Å; N289-N320 PolarHBondContact O-N 3.17Å; I291-N320 HydrophobicContact CD1-CB 4.35Å; I291-N320 HydrophobicContact CG2-CB 3.86Å
321D98.8Very high94.5Very high8 Ų828 Ų284%0.04315%0.146CC..  trans-142.6152.3166-166.1-2.3000108.8A39 V288 V319 G325 S326 F327 P359 I367 P404A39-D321 HydrophobicContact CB-CB 4.27Å; V288-D321 HydrophobicContact CG1-CB 3.96Å; V319-D321 VanDerWaalsContact C-N 3.35Å; V319-D321 WeakPolarHBondContact CG2-O 3.42Å; V319-D321 PolarHBondContact O-N 2.83Å; D321-G325 WeakPolarHBondContact OD1-CA 3.43Å; D321-S326 PolarHBondContact OD1-N 3.16Å; D321-S326 WeakPolarHBondContact OD2-CB 3.5Å; D321-S326 PolarHBondContact OD2-N 3.32Å; D321-S326 PolarHBondContact OD2-OG 3.39Å; D321-F327 HydrophobicContact CB-CE2 4.27Å; D321-P359 VanDerWaalsContact C-CD 3.49Å; D321-I367 WeakPolarHBondContact O-CD1 3.3Å; D321-P404 VanDerWaalsContact OD2-CG 3.23Å; D321-P404 WeakPolarHBondContact OD2-CG 3.34Å
322G98.6Very high96.3Very high2 Ų233.6 Ų33.62%0.02116%0.159CC..  trans-152.1-168.2-167.200000114.4Y324 G325 S326 F327 D365G322-Y324 PolarHBondContact O-N 2.93Å; G322-G325 CarbonylContact O-C 3.04Å; G322-G325 WeakPolarHBondContact O-CA 3.36Å; G322-G325 PolarHBondContact O-N 3.42Å; G322-S326 PolarHBondContact O-N 3.01Å; G322-F327 WeakPolarHBondContact O-CB 3.31Å; G322-F327 PolarHBondContact O-N 2.91Å; G322-D365 VanDerWaalsContact CA-OD1 3.3Å; G322-D365 WeakPolarHBondContact CA-OD1 3.39Å
323V98.6Very high97.2Very high7 Ų730.4 Ų30.44%0.04214%0.142CC..THydrogen-bonded Turntrans-67.4-18.1-174.4-53.20000113.3N328 L331 D365V323-N328 WeakPolarHBondContact O-CA 3.18Å; V323-N328 WeakPolarHBondContact O-CB 3.42Å; V323-N328 PolarHBondContact O-N 3.12Å; V323-L331 HydrophobicContact CB-CD1 4.05Å; V323-L331 HydrophobicContact CG2-CD1 4.17Å; V323-D365 HydrophobicContact CG2-CB 4.14Å; V323-D365 WeakPolarHBondContact CG2-OD1 3.37Å; V323-D365 PolarHBondContact N-OD1 2.85Å
324Y98.6Very high97.5Very high75 Ų7533.2 Ų33.229%0.29416%0.157SC..THydrogen-bonded Turntrans-87.7-18.1172.8-72-85.7000113.4G322 T360 D362 S396 F398G322-Y324 PolarHBondContact O-N 2.93Å; Y324-T360 HydrophobicContact CD2-CG2 3.96Å; Y324-D362 HydrophobicContact CE2-CB 3.98Å; Y324-D362 WeakPolarHBondContact CE2-OD2 3.22Å; Y324-D362 PolarHBondContact OH-OD2 3.03Å; Y324-S396 PolarHBondContact O-N 3.38Å; Y324-S396 PolarHBondContact O-OG 3.49Å; Y324-F398 HydrophobicContact CD1-CB 3.87Å; Y324-F398 AromaticContact CD1-CD1 3.74Å; Y324-F398 HydrophobicContact CD1-CD1 3.74Å; Y324-F398 HydrophobicContact CD1-CE1 4.5Å; Y324-F398 AromaticContact CD1-CG 3.91Å; Y324-F398 HydrophobicContact CD1-CG 3.91Å; Y324-F398 AromaticContact CD2-CD1 3.89Å; Y324-F398 HydrophobicContact CD2-CD1 3.89Å; Y324-F398 HydrophobicContact CD2-CE1 4.41Å; Y324-F398 AromaticContact CE1-CD1 3.87Å; Y324-F398 HydrophobicContact CE1-CD1 3.87Å; Y324-F398 HydrophobicContact CE1-CE1 4.19Å; Y324-F398 HydrophobicContact CE1-CG 4.19Å; Y324-F398 HydrophobicContact CE2-CD1 4.02Å; Y324-F398 HydrophobicContact CE2-CE1 4.1Å; Y324-F398 HydrophobicContact CG-CB 4.08Å; Y324-F398 AromaticContact CG-CD1 3.75Å; Y324-F398 HydrophobicContact CG-CD1 3.75Å; Y324-F398 HydrophobicContact CG-CG 4.23Å; Y324-F398 AromaticContact CZ-CE1 3.98Å
325G98.7Very high97.6Very high10 Ų1032.5 Ų32.510%0.10316%0.155CC..THydrogen-bonded Turntrans-99.9-120.2176.400000110.2D321 G322 N328 S395D321-G325 WeakPolarHBondContact OD1-CA 3.43Å; G322-G325 CarbonylContact O-C 3.04Å; G322-G325 WeakPolarHBondContact O-CA 3.36Å; G322-G325 PolarHBondContact O-N 3.42Å; G325-N328 PolarHBondContact O-ND2 3.5Å; G325-S395 WeakPolarHBondContact O-CB 3.3Å
326S98.8Very high97.3Very high0 Ų041.4 Ų41.40%020%0.196CC..THydrogen-bonded Turntrans-73.5-27.8-174.2-58.50000114.6Y41 D321 G322 N328Y41-S326 WeakPolarHBondContact OH-CB 3.35Å; Y41-S326 PolarHBondContact OH-OG 2.75Å; D321-S326 PolarHBondContact OD1-N 3.16Å; D321-S326 WeakPolarHBondContact OD2-CB 3.5Å; D321-S326 PolarHBondContact OD2-N 3.32Å; D321-S326 PolarHBondContact OD2-OG 3.39Å; G322-S326 PolarHBondContact O-N 3.01Å; S326-N328 PolarHBondContact O-N 3Å
327F98.8Very high97.1Very high0 Ų040.7 Ų40.70%019%0.194CC..THydrogen-bonded Turntrans-84.911.4-177.8-60.7-83.1000113.5L286 V288 D321 G322 C329 I330 C337 I367 F384 M387L286-F327 HydrophobicContact CD2-CD2 4.46Å; L286-F327 HydrophobicContact CD2-CE1 4.27Å; L286-F327 HydrophobicContact CD2-CE2 3.65Å; L286-F327 HydrophobicContact CD2-CZ 3.53Å; V288-F327 HydrophobicContact CG1-CE2 4.23Å; V288-F327 HydrophobicContact CG1-CZ 4.46Å; D321-F327 HydrophobicContact CB-CE2 4.27Å; G322-F327 WeakPolarHBondContact O-CB 3.31Å; G322-F327 PolarHBondContact O-N 2.91Å; F327-C329 PolarHBondContact O-N 3.42Å; F327-C329 VanDerWaalsContact O-N 3.1Å; F327-I330 HydrophobicContact CB-CD1 4.05Å; F327-I330 HydrophobicContact CB-CG1 4.49Å; F327-I330 HydrophobicContact CD1-CD1 4.29Å; F327-I330 WeakPolarHBondContact O-CB 3.16Å; F327-I330 WeakPolarHBondContact O-CG1 3.25Å; F327-I330 PolarHBondContact O-N 3.18Å; F327-C337 HydrophobicContact CD1-CB 4.12Å; F327-C337 HydrophobicContact CE1-CB 4.14Å; F327-I367 HydrophobicContact CB-CG1 4.43Å; F327-I367 HydrophobicContact CB-CG2 4.48Å; F327-I367 HydrophobicContact CD1-CG2 3.52Å; F327-I367 HydrophobicContact CD2-CD1 3.72Å; F327-I367 HydrophobicContact CD2-CG1 4.1Å; F327-I367 HydrophobicContact CD2-CG2 4.35Å; F327-I367 HydrophobicContact CE1-CG2 3.67Å; F327-I367 HydrophobicContact CE2-CD1 3.74Å; F327-I367 HydrophobicContact CE2-CG2 4.48Å; F327-I367 HydrophobicContact CG-CD1 4.24Å; F327-I367 HydrophobicContact CG-CG1 4.15Å; F327-I367 HydrophobicContact CG-CG2 3.88Å; F327-I367 HydrophobicContact CZ-CD1 4.26Å; F327-I367 HydrophobicContact CZ-CG2 4.16Å; F327-F384 AromaticContact CE1-CD1 3.76Å; F327-F384 HydrophobicContact CE1-CD1 3.76Å; F327-F384 HydrophobicContact CE1-CD2 4.18Å; F327-F384 AromaticContact CE1-CE1 3.85Å; F327-F384 HydrophobicContact CE1-CE1 3.85Å; F327-F384 HydrophobicContact CE1-CE2 4.29Å; F327-F384 AromaticContact CE1-CG 3.91Å; F327-F384 HydrophobicContact CE1-CG 3.91Å; F327-F384 HydrophobicContact CE1-CZ 4.11Å; F327-F384 HydrophobicContact CZ-CD1 4.18Å; F327-F384 AromaticContact CZ-CD2 3.75Å; F327-F384 HydrophobicContact CZ-CD2 3.75Å; F327-F384 HydrophobicContact CZ-CE1 4.19Å; F327-F384 AromaticContact CZ-CE2 3.79Å; F327-F384 HydrophobicContact CZ-CE2 3.79Å; F327-F384 AromaticContact CZ-CG 3.95Å; F327-F384 HydrophobicContact CZ-CG 3.95Å; F327-F384 AromaticContact CZ-CZ 3.99Å; F327-F384 HydrophobicContact CZ-CZ 3.99Å; F327-M387 HydrophobicContact CD1-CE 3.88Å; F327-M387 HydrophobicContact CE1-CE 3.91Å; F327-M387 HydrophobicContact CG-CE 4.45Å; F327-M387 HydrophobicContact CZ-CE 4.49Å
328N98.6Very high96.6Very high3 Ų346.6 Ų46.62%0.01623%0.226CC..Hα-helixtrans-56.8-23.4170.178.280.5000112.3V323 G325 S326 I330 L331 Y332 Y390 T391 A394V323-N328 WeakPolarHBondContact O-CA 3.18Å; V323-N328 WeakPolarHBondContact O-CB 3.42Å; V323-N328 PolarHBondContact O-N 3.12Å; G325-N328 PolarHBondContact O-ND2 3.5Å; S326-N328 PolarHBondContact O-N 3Å; N328-I330 PolarHBondContact O-N 2.81Å; N328-L331 PolarHBondContact O-N 3.4Å; N328-Y332 HydrophobicContact CB-CD2 3.92Å; N328-Y332 HydrophobicContact CB-CE2 4.13Å; N328-Y332 WeakPolarHBondContact O-CD2 3.46Å; N328-Y332 PolarHBondContact O-N 2.82Å; N328-Y390 PolarHBondContact OD1-O 3.27Å; N328-T391 PolarHBondContact ND2-O 3.1Å; N328-A394 WeakPolarHBondContact OD1-CB 3.37Å
329C98.1Very high96.4Very high2 Ų245.2 Ų45.21%0.01422%0.223CC..Hα-helixtrans-57.2-27.7173.760.20000113.3F327 L331 D333 H334 A335 Y390 T391F327-C329 PolarHBondContact O-N 3.42Å; F327-C329 VanDerWaalsContact O-N 3.1Å; C329-L331 VanDerWaalsContact C-N 3.28Å; C329-L331 PolarHBondContact O-N 3.45Å; C329-D333 HydrophobicContact CB-CB 4.24Å; C329-D333 CarbonylContact O-C 3.54Å; C329-D333 VanDerWaalsContact O-C 3.28Å; C329-D333 VanDerWaalsContact O-CA 3.3Å; C329-D333 WeakPolarHBondContact O-CA 3.45Å; C329-D333 WeakPolarHBondContact O-CB 3.49Å; C329-D333 PolarHBondContact O-N 2.8Å; C329-H334 PolarHBondContact O-N 2.97Å; C329-A335 HydrophobicContact CB-CB 3.87Å; C329-A335 PolarHBondContact O-N 2.84Å; C329-Y390 WeakPolarHBondContact CB-O 3.36Å; C329-T391 HydrophobicContact CB-CG2 4.13Å
330I97.6Very high96Very high45 Ų4548 Ų4823%0.23124%0.24CC..Hα-helixtrans-63.7-39.6174.7-60.5175.8000110.1F327 N328 C337 I367F327-I330 HydrophobicContact CB-CD1 4.05Å; F327-I330 HydrophobicContact CB-CG1 4.49Å; F327-I330 HydrophobicContact CD1-CD1 4.29Å; F327-I330 WeakPolarHBondContact O-CB 3.16Å; F327-I330 WeakPolarHBondContact O-CG1 3.25Å; F327-I330 PolarHBondContact O-N 3.18Å; N328-I330 PolarHBondContact O-N 2.81Å; I330-C337 HydrophobicContact CD1-CB 4.45Å; I330-I367 HydrophobicContact CD1-CG2 3.98Å; I330-I367 WeakPolarHBondContact CD1-O 3.36Å
331L96.8Very high95.5Very high102 Ų10248.4 Ų48.453%0.53424%0.242SC..Hα-helixtrans-82.3-46.6-178-61.5173.5000112.4V323 N328 C329V323-L331 HydrophobicContact CB-CD1 4.05Å; V323-L331 HydrophobicContact CG2-CD1 4.17Å; N328-L331 PolarHBondContact O-N 3.4Å; C329-L331 VanDerWaalsContact C-N 3.28Å; C329-L331 PolarHBondContact O-N 3.45Å
332Y94.7Very high94.4Very high175 Ų17549.8 Ų49.869%0.68625%0.248SC*.Hα-helixtrans-95-27.4-169.8-65.6-64.6000114.4N328N328-Y332 HydrophobicContact CB-CD2 3.92Å; N328-Y332 HydrophobicContact CB-CE2 4.13Å; N328-Y332 WeakPolarHBondContact O-CD2 3.46Å; N328-Y332 PolarHBondContact O-N 2.82Å
333D94.7Very high93.3Very high14 Ų1457.2 Ų57.28%0.07528%0.279CS..SBendtrans-117.81-174.2-166.350.6000112.4R277 C329 A335R277-D333 IonicContact CZ-OD1 3.8Å; R277-D333 IonicContact CZ-OD2 2.89Å; R277-D333 IonicContact NH1-OD2 2.8Å; R277-D333 PolarHBondContact NH1-OD2 3Å; R277-D333 IonicContact NH2-OD1 3.65Å; R277-D333 PolarHBondContact NH2-OD1 2.9Å; R277-D333 IonicContact NH2-OD2 3.97Å; R277-D333 PolarHBondContact NH2-OD2 3.34Å; C329-D333 HydrophobicContact CB-CB 4.24Å; C329-D333 CarbonylContact O-C 3.54Å; C329-D333 VanDerWaalsContact O-C 3.28Å; C329-D333 VanDerWaalsContact O-CA 3.3Å; C329-D333 WeakPolarHBondContact O-CA 3.45Å; C329-D333 WeakPolarHBondContact O-CB 3.49Å; C329-D333 PolarHBondContact O-N 2.8Å; D333-A335 PolarHBondContact O-N 3.07Å
334H94Very high92.2Very high105 Ų10565.9 Ų65.949%0.48632%0.316SS..  trans52.736.6-176.9-50.5-64.3000113.1V163 C329V163-H334 HydrophobicContact CG1-CB 3.62Å; C329-H334 PolarHBondContact O-N 2.97Å
335A93.9Very high91.2Very high27 Ų2765.4 Ų65.422%0.22332%0.322CS..  trans-68.8142.6179.800000111.7C329 D333C329-A335 HydrophobicContact CB-CB 3.87Å; C329-A335 PolarHBondContact O-N 2.84Å; D333-A335 PolarHBondContact O-N 3.07Å
336H91.9Very high90.5Very high186 Ų18672.6 Ų72.686%0.86135%0.351SS*.  trans-102.397170-65.2-72000109.1
337C93.3Very high89.6Confident18 Ų1878.9 Ų78.912%0.12239%0.392CS..  trans-93.8113.5-179.1-60.70000109.9F327 I330 F384F327-C337 HydrophobicContact CD1-CB 4.12Å; F327-C337 HydrophobicContact CE1-CB 4.14Å; I330-C337 HydrophobicContact CD1-CB 4.45Å; C337-F384 HydrophobicContact CB-CD1 4.1Å; C337-F384 HydrophobicContact CB-CE1 4.31Å
338L89.3Confident88.9Confident125 Ų12586.6 Ų86.665%0.65443%0.433SS*.  trans-110.9134.8174.1-67.3177000110.3
339P92.9Very high88.4Confident19 Ų1990.4 Ų90.412%0.12345%0.451CS..  trans-72.7145.5177.532.2-36.7000110.3I356 L373 L382 F384P339-I356 HydrophobicContact CB-CD1 4.23Å; P339-I356 HydrophobicContact CG-CD1 3.69Å; P339-L373 HydrophobicContact CG-CD1 4.38Å; P339-L373 HydrophobicContact CG-CD2 4.49Å; P339-L382 HydrophobicContact CB-CB 4.39Å; P339-L382 HydrophobicContact CB-CD1 4.44Å; P339-L382 HydrophobicContact CB-CD2 4.3Å; P339-F384 HydrophobicContact CB-CE1 3.92Å; P339-F384 HydrophobicContact CB-CE2 4.24Å; P339-F384 HydrophobicContact CB-CZ 3.72Å
340T91.1Very high88Confident59 Ų5992.8 Ų92.836%0.36247%0.471SS..EExtended strand (participates in β ladder)trans-111.2149159.561.60000109.3V383T340-V383 PolarHBondContact N-O 3.46Å; T340-V383 PolarHBondContact O-N 2.95Å; T340-V383 PolarHBondContact OG1-O 2.84Å
341L87.9Confident87.7Confident35 Ų3594.6 Ų94.618%0.18348%0.484CS..EExtended strand (participates in β ladder)trans-83.9132.4175.1-62.1177.2000109.3K343 P345 L373 P374 L376 L382L341-K343 VanDerWaalsContact C-N 3.29Å; L341-K343 VanDerWaalsContact CB-O 3.25Å; L341-K343 WeakPolarHBondContact CB-O 3.43Å; L341-K343 PolarHBondContact O-N 3.17Å; L341-P345 HydrophobicContact CD1-CB 4.37Å; L341-P345 HydrophobicContact CD1-CG 4.2Å; L341-L373 HydrophobicContact CD2-CD2 4.1Å; L341-L373 HydrophobicContact CG-CD2 4.33Å; L341-P374 HydrophobicContact CD1-CG 3.61Å; L341-L376 HydrophobicContact CD2-CD1 3.82Å; L341-L376 HydrophobicContact CD2-CD2 4Å; L341-L376 HydrophobicContact CD2-CG 4.48Å; L341-L382 HydrophobicContact CD2-CD2 3.81Å
342H75.4Confident87.6Confident37 Ų3791.6 Ų91.617%0.17147%0.465CS..SBendtrans-57.3-45.2173.1165.651.3000111.1I28 V383I28-H342 HydrophobicContact CD1-CB 4Å; H342-V383 HydrophobicContact CB-CG2 4.1Å
343K76.1Confident87.6Confident157 Ų15785.8 Ų85.868%0.68345%0.449SS*.SBendtrans-97.2130174-67.6179-178.4171.40109.6L341L341-K343 VanDerWaalsContact C-N 3.29Å; L341-K343 VanDerWaalsContact CB-O 3.25Å; L341-K343 WeakPolarHBondContact CB-O 3.43Å; L341-K343 PolarHBondContact O-N 3.17Å
344K75.4Confident87.7Confident189 Ų18985.1 Ų85.182%0.82245%0.446SS*.PPolyproline II helixtrans-59.2129.8172.4-72.4-172.1178-176.40108.9
345P77.4Confident87.9Confident65 Ų6580.7 Ų80.742%0.42243%0.427SS..PPolyproline II helixtrans-62.7152.5174.626-30.4000109.4L341 E349 P374L341-P345 HydrophobicContact CD1-CB 4.37Å; L341-P345 HydrophobicContact CD1-CG 4.2Å; P345-E349 WeakPolarHBondContact CA-OE2 3.36Å; P345-E349 WeakPolarHBondContact CB-OE2 3.44Å; P345-P374 HydrophobicContact CB-CG 4.5Å
346K83.6Confident88.1Confident161 Ų16179.4 Ų79.470%0.742%0.416SS*.PPolyproline II helixtrans-67.2146.5173.3-62.4174.1-176.3170.10108.6D348 E349K346-D348 PolarHBondContact O-N 3.31Å; K346-E349 HydrophobicContact CB-CB 4.16Å; K346-E349 PolarHBondContact N-OE2 3.35Å; K346-E349 VanDerWaalsContact O-CB 3.24Å; K346-E349 WeakPolarHBondContact O-CB 3.41Å; K346-E349 PolarHBondContact O-N 2.99Å
347P79.4Confident88.4Confident132 Ų13272.8 Ų72.886%0.85738%0.383SS*.THydrogen-bonded Turntrans-53-33.5-177.8-28.535.3000114.5
348D85Confident88.7Confident162 Ų16272 Ų7287%0.86638%0.379SS*.THydrogen-bonded Turntrans-102.215.4-178-49-47.2000112.9K346K346-D348 PolarHBondContact O-N 3.31Å
349E87.9Confident89.1Confident83 Ų8367.1 Ų67.139%0.38836%0.355SS..  trans-75.8125179.7-166.7166.6-172.800110.8P345 K346 V351 P374P345-E349 WeakPolarHBondContact CA-OE2 3.36Å; P345-E349 WeakPolarHBondContact CB-OE2 3.44Å; K346-E349 HydrophobicContact CB-CB 4.16Å; K346-E349 PolarHBondContact N-OE2 3.35Å; K346-E349 VanDerWaalsContact O-CB 3.24Å; K346-E349 WeakPolarHBondContact O-CB 3.41Å; K346-E349 PolarHBondContact O-N 2.99Å; E349-V351 PolarHBondContact O-N 3.42Å; E349-P374 HydrophobicContact CG-CB 3.9Å
350A89.6Confident89.4Confident53 Ų5367.2 Ų67.244%0.43836%0.355SS..  trans-62.1134.1178.300000111Y352 P374A350-Y352 HydrophobicContact CB-CE2 4.04Å; A350-Y352 WeakPolarHBondContact CB-OH 3.46Å; A350-P374 WeakPolarHBondContact O-CA 3.47Å
351V92.1Very high89.7Confident83 Ų8370.4 Ų70.450%0.50338%0.378SS..EExtended strand (participates in β ladder)trans-111.4150175.6-63.40000110.5E349 L373E349-V351 PolarHBondContact O-N 3.42Å; V351-L373 WeakPolarHBondContact CA-O 3.4Å
352Y93.8Very high90.2Very high38 Ų3871 Ų7115%0.14938%0.381CS..EExtended strand (participates in β ladder)trans-130.3147.2-175.1-56.4-78.8000110.5S311 R313 L315 A350 C354 T372 L373 D375S311-Y352 WeakPolarHBondContact OG-CE1 3.43Å; R313-Y352 HydrophobicContact CG-CD1 3.98Å; R313-Y352 HydrophobicContact CG-CE1 4.36Å; R313-Y352 PolarHBondContact NH2-OH 3Å; R313-Y352 VanDerWaalsContact NH2-OH 3.13Å; L315-Y352 HydrophobicContact CD1-CD2 3.89Å; L315-Y352 HydrophobicContact CD1-CG 4.01Å; A350-Y352 HydrophobicContact CB-CE2 4.04Å; A350-Y352 WeakPolarHBondContact CB-OH 3.46Å; Y352-C354 PolarHBondContact O-N 3.27Å; Y352-T372 WeakPolarHBondContact O-CA 3.49Å; Y352-L373 PolarHBondContact N-O 2.97Å; Y352-L373 PolarHBondContact O-N 3.22Å; Y352-L373 VanDerWaalsContact O-N 3.15Å; Y352-D375 HydrophobicContact CD2-CB 4.14Å; Y352-D375 HydrophobicContact CE2-CB 3.83Å
353P95.3Very high91.2Very high53 Ų5372 Ų7234%0.34440%0.403SS..EExtended strand (participates in β ladder)trans-60.5133.6167.327.2-33000109.2T314 L315 L370 C371T314-P353 WeakPolarHBondContact CA-O 3.42Å; L315-P353 PolarHBondContact N-O 2.86Å; P353-L370 HydrophobicContact CB-CD1 3.91Å; P353-C371 CarbonylContact C-O 3.5Å
354C95.7Very high92.2Very high1 Ų171.2 Ų71.21%0.00741%0.405CS..EExtended strand (participates in β ladder)trans-147.9157.5-177.166.60000113.6L315 Y317 Y352 L370 C371L315-C354 HydrophobicContact CB-CB 3.87Å; L315-C354 CarbonylContact O-C 3.6Å; L315-C354 WeakPolarHBondContact O-CA 3.28Å; L315-C354 WeakPolarHBondContact O-CB 3.43Å; Y317-C354 HydrophobicContact CD2-CB 4.15Å; Y317-C354 HydrophobicContact CE2-CB 3.87Å; Y352-C354 PolarHBondContact O-N 3.27Å; C354-L370 CarbonylContact O-C 3.53Å; C354-L370 WeakPolarHBondContact O-CA 3.47Å; C354-C371 PolarHBondContact N-O 3.41Å; C354-C371 PolarHBondContact O-N 3.15Å; C354-C371 PolarHBondContact SG-O 2.97Å; C354-C371 PolarHBondContact SG-SG 2.82Å
355S97.9Very high93.3Very high12 Ų1262.2 Ų62.28%0.08437%0.366CS..EExtended strand (participates in β ladder)trans-120.9149.417356.70000110.4L315 Y317 W357 V368 E369L315-S355 PolarHBondContact O-N 3.33Å; Y317-S355 PolarHBondContact N-O 3.29Å; S355-W357 PolarHBondContact OG-NE1 3.26Å; S355-V368 WeakPolarHBondContact CA-O 3.42Å; S355-E369 WeakPolarHBondContact CB-O 3.47Å
356I98.7Very high94.3Very high0 Ų063.5 Ų63.50%036%0.362CS..EExtended strand (participates in β ladder)trans-121.5129.1-178.6-54.3172.1000109.3Y317 V319 P339 I367 V368 L373 L382Y317-I356 CarbonylContact O-C 3.42Å; Y317-I356 WeakPolarHBondContact O-CA 3.36Å; V319-I356 HydrophobicContact CG1-CG2 4.18Å; V319-I356 HydrophobicContact CG2-CG2 4.09Å; P339-I356 HydrophobicContact CB-CD1 4.23Å; P339-I356 HydrophobicContact CG-CD1 3.69Å; I356-I367 HydrophobicContact CG2-CB 4.34Å; I356-I367 HydrophobicContact CG2-CD1 4.17Å; I356-I367 PolarHBondContact O-N 3.35Å; I356-V368 HydrophobicContact CB-CB 4.05Å; I356-V368 HydrophobicContact CB-CG2 4.31Å; I356-V368 HydrophobicContact CD1-CB 4.16Å; I356-V368 HydrophobicContact CD1-CG2 3.99Å; I356-V368 HydrophobicContact CG1-CB 4.21Å; I356-V368 HydrophobicContact CG1-CG2 4.49Å; I356-V368 PolarHBondContact N-O 3.29Å; I356-V368 PolarHBondContact O-N 2.73Å; I356-V368 VanDerWaalsContact O-N 3.11Å; I356-L373 HydrophobicContact CD1-CD1 4.21Å; I356-L382 HydrophobicContact CD1-CD1 3.87Å; I356-L382 HydrophobicContact CG2-CD1 4.43Å
357W98.8Very high95Very high46 Ų4656.4 Ų56.417%0.17433%0.332CS..EExtended strand (participates in β ladder)trans-123.2147-172.5-59.279.7000110.7M316 Y317 Y318 V319 S355 G363 D365 R366M316-W357 HydrophobicContact CE-CD2 4.49Å; M316-W357 HydrophobicContact CE-CZ2 3.65Å; M316-W357 VanDerWaalsContact CE-NE1 3.34Å; Y317-W357 PolarHBondContact O-N 3Å; Y318-W357 CarbonylContact C-O 3.4Å; Y318-W357 WeakPolarHBondContact CA-O 3.33Å; Y318-W357 HydrophobicContact CD1-CB 3.58Å; Y318-W357 HydrophobicContact CD1-CG 4.25Å; Y318-W357 HydrophobicContact CE1-CB 3.81Å; Y318-W357 HydrophobicContact CE1-CG 4.01Å; Y318-W357 HydrophobicContact CG-CB 4.25Å; V319-W357 WeakPolarHBondContact CG2-O 3.38Å; V319-W357 PolarHBondContact N-O 2.9Å; S355-W357 PolarHBondContact OG-NE1 3.26Å; W357-G363 WeakPolarHBondContact CZ3-O 3.34Å; W357-D365 WeakPolarHBondContact CA-O 3.17Å; W357-R366 HydrophobicContact CD2-CB 4.23Å; W357-R366 HydrophobicContact CD2-CG 4.01Å; W357-R366 HydrophobicContact CE3-CB 3.72Å; W357-R366 HydrophobicContact CE3-CG 3.99Å; W357-R366 HydrophobicContact CH2-CB 4.28Å; W357-R366 HydrophobicContact CH2-CG 4.13Å; W357-R366 HydrophobicContact CZ2-CG 4.11Å; W357-R366 HydrophobicContact CZ3-CB 3.76Å; W357-R366 HydrophobicContact CZ3-CG 4.05Å
358G98.8Very high95.9Very high3 Ų350.6 Ų50.63%0.03129%0.294CS..  trans-79-178.1171.400000112.8V319 D365V319-G358 CarbonylContact O-C 3.57Å; G358-D365 VanDerWaalsContact C-OD2 3.24Å; G358-D365 WeakPolarHBondContact CA-OD1 3.41Å; G358-D365 WeakPolarHBondContact CA-OD2 3.31Å; G358-D365 PolarHBondContact N-O 3.36Å
359P98.7Very high96.4Very high22 Ų2249 Ų4914%0.14328%0.281CS..SBendtrans-87.7-7.9-17034.2-36.4000114.2I291 V319 D321 F401I291-P359 HydrophobicContact CD1-CB 4.16Å; V319-P359 WeakPolarHBondContact O-CB 3.38Å; V319-P359 WeakPolarHBondContact O-CD 3.38Å; D321-P359 VanDerWaalsContact C-CD 3.49Å; P359-F401 HydrophobicContact CB-CD1 4.01Å; P359-F401 HydrophobicContact CB-CD2 4.3Å; P359-F401 HydrophobicContact CB-CE1 3.74Å; P359-F401 HydrophobicContact CB-CE2 4.06Å; P359-F401 HydrophobicContact CB-CG 4.28Å; P359-F401 HydrophobicContact CB-CZ 3.77Å; P359-F401 HydrophobicContact CG-CD1 4.09Å; P359-F401 HydrophobicContact CG-CD2 4Å; P359-F401 HydrophobicContact CG-CE1 4.31Å; P359-F401 HydrophobicContact CG-CE2 4.22Å; P359-F401 HydrophobicContact CG-CG 3.94Å; P359-F401 HydrophobicContact CG-CZ 4.37Å; P359-F401 VanDerWaalsContact O-CE2 3.3Å; P359-F401 WeakPolarHBondContact O-CE2 3.37Å; P359-F401 WeakPolarHBondContact O-CZ 3.4Å
360T98.6Very high96.8Very high20 Ų2050.9 Ų50.912%0.12329%0.293CS..SBendtrans-76.9166.2-171.271.30000113.2Y324 D362 D365 F398 N399 F401Y324-T360 HydrophobicContact CD2-CG2 3.96Å; T360-D362 PolarHBondContact O-N 3.44Å; T360-D362 PolarHBondContact OG1-N 2.84Å; T360-D365 VanDerWaalsContact CB-OD2 3.29Å; T360-D365 WeakPolarHBondContact CB-OD2 3.29Å; T360-D365 VanDerWaalsContact CG2-OD2 3.25Å; T360-D365 WeakPolarHBondContact CG2-OD2 3.43Å; T360-D365 PolarHBondContact N-OD2 3.35Å; T360-D365 WeakPolarHBondContact OG1-CB 3.36Å; T360-D365 VanDerWaalsContact OG1-CG 3.24Å; T360-D365 PolarHBondContact OG1-OD2 3.03Å; T360-F398 HydrophobicContact CG2-CD1 4.12Å; T360-N399 WeakPolarHBondContact CB-OD1 3.41Å; T360-N399 HydrophobicContact CG2-CB 4.41Å; T360-F401 HydrophobicContact CG2-CD2 4.07Å; T360-F401 HydrophobicContact CG2-CE2 4.22Å
361C97.6Very high97Very high126 Ų12649.3 Ų49.385%0.85128%0.279SS*.SBendtrans-78.67.5173.4-67.10000113.3N399C361-N399 PolarHBondContact N-OD1 2.83Å
362D97.6Very high97.1Very high47 Ų4748.6 Ų48.625%0.25128%0.275SS..  trans-91.5127.6179.6-169.7-10.5000110.9Y324 T360 L364 D365Y324-D362 HydrophobicContact CE2-CB 3.98Å; Y324-D362 WeakPolarHBondContact CE2-OD2 3.22Å; Y324-D362 PolarHBondContact OH-OD2 3.03Å; T360-D362 PolarHBondContact O-N 3.44Å; T360-D362 PolarHBondContact OG1-N 2.84Å; D362-L364 PolarHBondContact O-N 3.02Å; D362-L364 PolarHBondContact OD1-N 2.89Å; D362-D365 HydrophobicContact CB-CB 4.45Å; D362-D365 WeakPolarHBondContact O-CB 3.45Å; D362-D365 PolarHBondContact O-N 2.92Å; D362-D365 VanDerWaalsContact O-N 3.09Å
363G97.3Very high97.1Very high60 Ų6047.3 Ų47.362%0.61927%0.271SS*.THydrogen-bonded Turntrans-67.8-8.2175.200000114.3W357W357-G363 WeakPolarHBondContact CZ3-O 3.34Å
364L97.3Very high97.1Very high139 Ų13945 Ų4573%0.72826%0.255SS*.THydrogen-bonded Turntrans-92.3-4.5172.2-62.5-179.9000113.5D362 R366D362-L364 PolarHBondContact O-N 3.02Å; D362-L364 PolarHBondContact OD1-N 2.89Å; L364-R366 PolarHBondContact O-N 2.91Å
365D98.6Very high97Very high1 Ų147.2 Ų47.21%0.00527%0.267CS..  trans-77.364.7176.5-169.114.3000111.5G322 V323 W357 G358 T360 D362G322-D365 VanDerWaalsContact CA-OD1 3.3Å; G322-D365 WeakPolarHBondContact CA-OD1 3.39Å; V323-D365 HydrophobicContact CG2-CB 4.14Å; V323-D365 WeakPolarHBondContact CG2-OD1 3.37Å; V323-D365 PolarHBondContact N-OD1 2.85Å; W357-D365 WeakPolarHBondContact CA-O 3.17Å; G358-D365 VanDerWaalsContact C-OD2 3.24Å; G358-D365 WeakPolarHBondContact CA-OD1 3.41Å; G358-D365 WeakPolarHBondContact CA-OD2 3.31Å; G358-D365 PolarHBondContact N-O 3.36Å; T360-D365 VanDerWaalsContact CB-OD2 3.29Å; T360-D365 WeakPolarHBondContact CB-OD2 3.29Å; T360-D365 VanDerWaalsContact CG2-OD2 3.25Å; T360-D365 WeakPolarHBondContact CG2-OD2 3.43Å; T360-D365 PolarHBondContact N-OD2 3.35Å; T360-D365 WeakPolarHBondContact OG1-CB 3.36Å; T360-D365 VanDerWaalsContact OG1-CG 3.24Å; T360-D365 PolarHBondContact OG1-OD2 3.03Å; D362-D365 HydrophobicContact CB-CB 4.45Å; D362-D365 WeakPolarHBondContact O-CB 3.45Å; D362-D365 PolarHBondContact O-N 2.92Å; D362-D365 VanDerWaalsContact O-N 3.09Å
366R98.4Very high96.9Very high92 Ų9247.6 Ų47.635%0.34727%0.268SS..EExtended strand (participates in β ladder)trans-117120-179.4-169.7175.365.2167.93.2109.1W357 L364 E369W357-R366 HydrophobicContact CD2-CB 4.23Å; W357-R366 HydrophobicContact CD2-CG 4.01Å; W357-R366 HydrophobicContact CE3-CB 3.72Å; W357-R366 HydrophobicContact CE3-CG 3.99Å; W357-R366 HydrophobicContact CH2-CB 4.28Å; W357-R366 HydrophobicContact CH2-CG 4.13Å; W357-R366 HydrophobicContact CZ2-CG 4.11Å; W357-R366 HydrophobicContact CZ3-CB 3.76Å; W357-R366 HydrophobicContact CZ3-CG 4.05Å; L364-R366 PolarHBondContact O-N 2.91Å; R366-E369 VanDerWaalsContact CZ-CD 3.48Å; R366-E369 IonicContact CZ-OE1 3.5Å; R366-E369 IonicContact NH1-OE1 3.36Å; R366-E369 PolarHBondContact NH1-OE1 2.8Å; R366-E369 IonicContact NH2-OE1 3.6Å; R366-E369 PolarHBondContact NH2-OE1 2.89Å; R366-E369 IonicContact NH2-OE2 3.58Å; R366-E369 PolarHBondContact NH2-OE2 2.77Å
367I98.4Very high96.7Very high12 Ų1252.1 Ų52.16%0.06229%0.289CS..EExtended strand (participates in β ladder)trans-87.3-47.7-175.7-56168.1000110V319 D321 F327 I330 I356 F384V319-I367 HydrophobicContact CG2-CD1 3.47Å; V319-I367 VanDerWaalsContact CG2-CD1 3.47Å; D321-I367 WeakPolarHBondContact O-CD1 3.3Å; F327-I367 HydrophobicContact CB-CG1 4.43Å; F327-I367 HydrophobicContact CB-CG2 4.48Å; F327-I367 HydrophobicContact CD1-CG2 3.52Å; F327-I367 HydrophobicContact CD2-CD1 3.72Å; F327-I367 HydrophobicContact CD2-CG1 4.1Å; F327-I367 HydrophobicContact CD2-CG2 4.35Å; F327-I367 HydrophobicContact CE1-CG2 3.67Å; F327-I367 HydrophobicContact CE2-CD1 3.74Å; F327-I367 HydrophobicContact CE2-CG2 4.48Å; F327-I367 HydrophobicContact CG-CD1 4.24Å; F327-I367 HydrophobicContact CG-CG1 4.15Å; F327-I367 HydrophobicContact CG-CG2 3.88Å; F327-I367 HydrophobicContact CZ-CD1 4.26Å; F327-I367 HydrophobicContact CZ-CG2 4.16Å; I330-I367 HydrophobicContact CD1-CG2 3.98Å; I330-I367 WeakPolarHBondContact CD1-O 3.36Å; I356-I367 HydrophobicContact CG2-CB 4.34Å; I356-I367 HydrophobicContact CG2-CD1 4.17Å; I356-I367 PolarHBondContact O-N 3.35Å; I367-F384 HydrophobicContact CG2-CE1 4.48Å; I367-F384 HydrophobicContact CG2-CZ 4.5Å
368V97.9Very high96.6Very high10 Ų1054.1 Ų54.16%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-129.7121.1178.5-175.70000108.7S355 I356 C371S355-V368 WeakPolarHBondContact CA-O 3.42Å; I356-V368 HydrophobicContact CB-CB 4.05Å; I356-V368 HydrophobicContact CB-CG2 4.31Å; I356-V368 HydrophobicContact CD1-CB 4.16Å; I356-V368 HydrophobicContact CD1-CG2 3.99Å; I356-V368 HydrophobicContact CG1-CB 4.21Å; I356-V368 HydrophobicContact CG1-CG2 4.49Å; I356-V368 PolarHBondContact N-O 3.29Å; I356-V368 PolarHBondContact O-N 2.73Å; I356-V368 VanDerWaalsContact O-N 3.11Å; V368-C371 HydrophobicContact CG1-CB 3.86Å
369E96.3Very high96.4Very high127 Ų12754.4 Ų54.459%0.59331%0.309SS*.EExtended strand (participates in β ladder)trans-69.7-46.8178172.6156.2-131.700112.1S355 R366S355-E369 WeakPolarHBondContact CB-O 3.47Å; R366-E369 VanDerWaalsContact CZ-CD 3.48Å; R366-E369 IonicContact CZ-OE1 3.5Å; R366-E369 IonicContact NH1-OE1 3.36Å; R366-E369 PolarHBondContact NH1-OE1 2.8Å; R366-E369 IonicContact NH2-OE1 3.6Å; R366-E369 PolarHBondContact NH2-OE1 2.89Å; R366-E369 IonicContact NH2-OE2 3.58Å; R366-E369 PolarHBondContact NH2-OE2 2.77Å
370L95.1Very high96.2Very high123 Ų12356.4 Ų56.464%0.64432%0.319SS*.EExtended strand (participates in β ladder)trans-149.2124.8179.8-176.464.3000110.8P353 C354P353-L370 HydrophobicContact CB-CD1 3.91Å; C354-L370 CarbonylContact O-C 3.53Å; C354-L370 WeakPolarHBondContact O-CA 3.47Å
371C95.1Very high96Very high21 Ų2156.3 Ų56.314%0.14232%0.316CS..EExtended strand (participates in β ladder)trans-145.2174.1164.762.30000110.2P353 C354 V368P353-C371 CarbonylContact C-O 3.5Å; C354-C371 PolarHBondContact N-O 3.41Å; C354-C371 PolarHBondContact O-N 3.15Å; C354-C371 PolarHBondContact SG-O 2.97Å; C354-C371 PolarHBondContact SG-SG 2.82Å; V368-C371 HydrophobicContact CG1-CB 3.86Å
372T93.9Very high96Very high67 Ų6750.3 Ų50.341%0.41128%0.276SS..EExtended strand (participates in β ladder)trans-112.8121.5176.851.50000110.1Y352Y352-T372 WeakPolarHBondContact O-CA 3.49Å
373L94Very high96Very high12 Ų1248.6 Ų48.66%0.06327%0.267CS..EExtended strand (participates in β ladder)trans-135.5156.1179.3-67176.7000110.2Y317 P339 L341 V351 Y352 I356 L376 L382Y317-L373 HydrophobicContact CD2-CD1 4.43Å; Y317-L373 HydrophobicContact CE2-CB 4.47Å; Y317-L373 HydrophobicContact CE2-CD1 4.29Å; P339-L373 HydrophobicContact CG-CD1 4.38Å; P339-L373 HydrophobicContact CG-CD2 4.49Å; L341-L373 HydrophobicContact CD2-CD2 4.1Å; L341-L373 HydrophobicContact CG-CD2 4.33Å; V351-L373 WeakPolarHBondContact CA-O 3.4Å; Y352-L373 PolarHBondContact N-O 2.97Å; Y352-L373 PolarHBondContact O-N 3.22Å; Y352-L373 VanDerWaalsContact O-N 3.15Å; I356-L373 HydrophobicContact CD1-CD1 4.21Å; L373-L376 HydrophobicContact CD1-CD1 4.14Å; L373-L382 HydrophobicContact CD1-CD2 4.38Å
374P94.2Very high96Very high4 Ų445.8 Ų45.83%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-62.8172.8167.130-35.5000111.3Y317 L341 P345 E349 A350 L376Y317-P374 PolarHBondContact OH-O 2.7Å; L341-P374 HydrophobicContact CD1-CG 3.61Å; P345-P374 HydrophobicContact CB-CG 4.5Å; E349-P374 HydrophobicContact CG-CB 3.9Å; A350-P374 WeakPolarHBondContact O-CA 3.47Å; P374-L376 VanDerWaalsContact C-N 3.28Å; P374-L376 HydrophobicContact CG-CD2 3.98Å; P374-L376 HydrophobicContact CG-CG 4.43Å; P374-L376 PolarHBondContact O-N 3.16Å
375D94.2Very high96Very high48 Ų4843.6 Ų43.626%0.25722%0.224SC..  trans-75.773.5-179.2-1639.2000112.3K293 R313 L315 Y352 Q377K293-D375 VanDerWaalsContact CE-OD1 3.27Å; K293-D375 WeakPolarHBondContact CE-OD1 3.29Å; K293-D375 IonicContact NZ-OD1 2.57Å; K293-D375 PolarHBondContact NZ-OD1 3.21Å; R313-D375 IonicContact CZ-OD2 3.34Å; R313-D375 IonicContact NH1-OD2 3.12Å; R313-D375 PolarHBondContact NH1-OD2 2.91Å; R313-D375 VanDerWaalsContact NH1-OD2 3.12Å; R313-D375 VanDerWaalsContact NH2-CG 3.29Å; R313-D375 IonicContact NH2-OD2 2.72Å; R313-D375 PolarHBondContact NH2-OD2 2.88Å; L315-D375 HydrophobicContact CD1-CB 4.48Å; Y352-D375 HydrophobicContact CD2-CB 4.14Å; Y352-D375 HydrophobicContact CE2-CB 3.83Å; D375-Q377 PolarHBondContact O-NE2 2.85Å
376L94.8Very high95.9Very high19 Ų1945.9 Ų45.910%0.09924%0.236CC..  trans-66.7157.5179.9-56.9175.2000112.3I290 K293 Y317 L341 L373 P374 D380 L382I290-L376 HydrophobicContact CD1-CB 3.68Å; I290-L376 HydrophobicContact CD1-CD1 3.72Å; I290-L376 HydrophobicContact CD1-CG 4.36Å; K293-L376 WeakPolarHBondContact CD-O 3.37Å; K293-L376 VanDerWaalsContact CE-O 3.31Å; K293-L376 WeakPolarHBondContact CE-O 3.24Å; K293-L376 PolarHBondContact NZ-O 2.69Å; Y317-L376 HydrophobicContact CE1-CB 3.88Å; Y317-L376 WeakPolarHBondContact CE1-O 3.4Å; Y317-L376 HydrophobicContact CE2-CD1 4.47Å; Y317-L376 PolarHBondContact OH-N 2.63Å; L341-L376 HydrophobicContact CD2-CD1 3.82Å; L341-L376 HydrophobicContact CD2-CD2 4Å; L341-L376 HydrophobicContact CD2-CG 4.48Å; L373-L376 HydrophobicContact CD1-CD1 4.14Å; P374-L376 VanDerWaalsContact C-N 3.28Å; P374-L376 HydrophobicContact CG-CD2 3.98Å; P374-L376 HydrophobicContact CG-CG 4.43Å; P374-L376 PolarHBondContact O-N 3.16Å; L376-D380 HydrophobicContact CB-CB 4.49Å; L376-L382 HydrophobicContact CD1-CD2 3.64Å
377Q95.4Very high95.9Very high96 Ų9641.9 Ų41.945%0.44922%0.221SC..  trans-116.2161.1-176.6-55-55.6-44.500112.4K293 D375 G379 D380K293-Q377 VanDerWaalsContact NZ-NE2 3.17Å; D375-Q377 PolarHBondContact O-NE2 2.85Å; Q377-G379 PolarHBondContact O-N 3.42Å; Q377-D380 PolarHBondContact N-OD2 2.71Å; Q377-D380 VanDerWaalsContact O-CB 3.28Å; Q377-D380 WeakPolarHBondContact O-CB 3.33Å; Q377-D380 PolarHBondContact O-N 3.4Å
378V96.4Very high95.9Very high87 Ų8741.3 Ų41.353%0.52722%0.218SC..THydrogen-bonded Turntrans-58.9131.5169.8175.10000108.7I290 K293I290-V378 CarbonylContact O-C 3.54Å; I290-V378 WeakPolarHBondContact O-CA 3.43Å; I290-V378 WeakPolarHBondContact O-CG1 3.47Å; K293-V378 HydrophobicContact CB-CG2 4.21Å
379G93.9Very high95.9Very high9 Ų941 Ų419%0.09322%0.217CC..THydrogen-bonded Turntrans95.8-12.7-173.300000114.5R37 N289 I290 Q377R37-G379 PolarHBondContact NH1-O 2.98Å; N289-G379 VanDerWaalsContact ND2-C 3.32Å; N289-G379 PolarHBondContact ND2-O 2.79Å; I290-G379 PolarHBondContact O-N 2.96Å; Q377-G379 PolarHBondContact O-N 3.42Å
380D94.5Very high96Very high64 Ų6437.5 Ų37.534%0.34220%0.199SC..  trans-71.2158.8171.7-71.7-22.8000111.5N289 I290 L376 Q377N289-D380 PolarHBondContact ND2-O 3.26Å; I290-D380 HydrophobicContact CD1-CB 4.21Å; I290-D380 PolarHBondContact N-O 2.9Å; L376-D380 HydrophobicContact CB-CB 4.49Å; Q377-D380 PolarHBondContact N-OD2 2.71Å; Q377-D380 VanDerWaalsContact O-CB 3.28Å; Q377-D380 WeakPolarHBondContact O-CB 3.33Å; Q377-D380 PolarHBondContact O-N 3.4Å
381W95.6Very high96.2Very high18 Ų1831.8 Ų31.87%0.06817%0.169CC..EExtended strand (participates in β ladder)trans-111.9138.4-175.8-64.195000112I28 R37 D38 F40 V287 V288 N289I28-W381 HydrophobicContact CD1-CB 4.13Å; I28-W381 HydrophobicContact CD1-CG 4.27Å; I28-W381 HydrophobicContact CG1-CB 4.43Å; I28-W381 HydrophobicContact CG1-CD2 4.27Å; I28-W381 HydrophobicContact CG1-CG 4.03Å; I28-W381 HydrophobicContact CG2-CG 4.22Å; R37-W381 HydrophobicContact CB-CH2 3.82Å; R37-W381 HydrophobicContact CB-CZ2 3.68Å; R37-W381 HydrophobicContact CG-CZ2 4.03Å; R37-W381 WeakPolarHBondContact O-CH2 3.44Å; D38-W381 WeakPolarHBondContact O-CH2 3.32Å; F40-W381 HydrophobicContact CD1-CH2 4.33Å; F40-W381 HydrophobicContact CD1-CZ3 4.27Å; F40-W381 HydrophobicContact CE1-CH2 4.07Å; F40-W381 HydrophobicContact CE1-CZ3 4.03Å; V287-W381 HydrophobicContact CG1-CB 4.22Å; V287-W381 HydrophobicContact CG1-CD2 4.08Å; V287-W381 HydrophobicContact CG1-CE3 3.53Å; V287-W381 HydrophobicContact CG1-CG 4.42Å; V287-W381 HydrophobicContact CG1-CZ3 4.13Å; V288-W381 VanDerWaalsContact C-CE3 3.41Å; V288-W381 WeakPolarHBondContact O-CA 3.39Å; N289-W381 HydrophobicContact CB-CD2 4.36Å; N289-W381 HydrophobicContact CB-CE3 3.83Å; N289-W381 HydrophobicContact CB-CH2 4.05Å; N289-W381 HydrophobicContact CB-CZ2 4.49Å; N289-W381 HydrophobicContact CB-CZ3 3.68Å
382L96.7Very high96.3Very high0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-110.4139.7168.3-63.1179000109.5V287 V288 I290 V319 P339 L341 I356 L373 L376 F384V287-L382 WeakPolarHBondContact CA-O 3.47Å; V288-L382 HydrophobicContact CG2-CB 3.89Å; V288-L382 PolarHBondContact N-O 3.27Å; V288-L382 PolarHBondContact O-N 2.68Å; I290-L382 HydrophobicContact CD1-CD1 4.48Å; I290-L382 HydrophobicContact CD1-CG 4.36Å; I290-L382 HydrophobicContact CG1-CD1 4.41Å; I290-L382 HydrophobicContact CG1-CG 4.36Å; V319-L382 HydrophobicContact CG1-CD1 4.15Å; P339-L382 HydrophobicContact CB-CB 4.39Å; P339-L382 HydrophobicContact CB-CD1 4.44Å; P339-L382 HydrophobicContact CB-CD2 4.3Å; L341-L382 HydrophobicContact CD2-CD2 3.81Å; I356-L382 HydrophobicContact CD1-CD1 3.87Å; I356-L382 HydrophobicContact CG2-CD1 4.43Å; L373-L382 HydrophobicContact CD1-CD2 4.38Å; L376-L382 HydrophobicContact CD1-CD2 3.64Å; L382-F384 HydrophobicContact CB-CE2 3.92Å
383V97.3Very high96.5Very high11 Ų1130.4 Ų30.47%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-114.4131.3-176.3-177.60000109.6T285 V287 T340 H342T285-V383 HydrophobicContact CG2-CG1 3.33Å; V287-V383 HydrophobicContact CG1-CG2 4.48Å; V287-V383 HydrophobicContact CG2-CG2 4.5Å; T340-V383 PolarHBondContact N-O 3.46Å; T340-V383 PolarHBondContact O-N 2.95Å; T340-V383 PolarHBondContact OG1-O 2.84Å; H342-V383 HydrophobicContact CB-CG2 4.1Å
384F97.7Very high96.7Very high2 Ų232.4 Ų32.41%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-122.5104.4177.7-66.2-95.4000109.2L286 V288 F327 C337 P339 I367 L382 M387L286-F384 HydrophobicContact CB-CB 4.27Å; L286-F384 PolarHBondContact N-O 3.3Å; L286-F384 PolarHBondContact O-N 2.65Å; V288-F384 HydrophobicContact CG2-CD2 4.17Å; V288-F384 HydrophobicContact CG2-CE2 3.7Å; F327-F384 AromaticContact CE1-CD1 3.76Å; F327-F384 HydrophobicContact CE1-CD1 3.76Å; F327-F384 HydrophobicContact CE1-CD2 4.18Å; F327-F384 AromaticContact CE1-CE1 3.85Å; F327-F384 HydrophobicContact CE1-CE1 3.85Å; F327-F384 HydrophobicContact CE1-CE2 4.29Å; F327-F384 AromaticContact CE1-CG 3.91Å; F327-F384 HydrophobicContact CE1-CG 3.91Å; F327-F384 HydrophobicContact CE1-CZ 4.11Å; F327-F384 HydrophobicContact CZ-CD1 4.18Å; F327-F384 AromaticContact CZ-CD2 3.75Å; F327-F384 HydrophobicContact CZ-CD2 3.75Å; F327-F384 HydrophobicContact CZ-CE1 4.19Å; F327-F384 AromaticContact CZ-CE2 3.79Å; F327-F384 HydrophobicContact CZ-CE2 3.79Å; F327-F384 AromaticContact CZ-CG 3.95Å; F327-F384 HydrophobicContact CZ-CG 3.95Å; F327-F384 AromaticContact CZ-CZ 3.99Å; F327-F384 HydrophobicContact CZ-CZ 3.99Å; C337-F384 HydrophobicContact CB-CD1 4.1Å; C337-F384 HydrophobicContact CB-CE1 4.31Å; P339-F384 HydrophobicContact CB-CE1 3.92Å; P339-F384 HydrophobicContact CB-CE2 4.24Å; P339-F384 HydrophobicContact CB-CZ 3.72Å; I367-F384 HydrophobicContact CG2-CE1 4.48Å; I367-F384 HydrophobicContact CG2-CZ 4.5Å; L382-F384 HydrophobicContact CB-CE2 3.92Å; F384-M387 HydrophobicContact CB-CG 3.78Å; F384-M387 WeakPolarHBondContact O-CG 3.35Å
385E96.8Very high96.9Very high92 Ų9232.7 Ų32.743%0.4318%0.184SC..  trans-76.2168.7175.8-61.8-177.9152.500110.9T285 M387T285-E385 HydrophobicContact CG2-CG 4.34Å; E385-M387 VanDerWaalsContact C-N 3.25Å; E385-M387 PolarHBondContact O-N 3.28Å
386N97.6Very high97.1Very high50 Ų5032.7 Ų32.727%0.26719%0.188SC..SBendtrans60.827.5177.1-55.3-38.3000114.9S241 D243 A281 S282 Y284 G388S241-N386 VanDerWaalsContact CB-CG 3.47Å; S241-N386 WeakPolarHBondContact CB-OD1 3.5Å; D243-N386 PolarHBondContact OD2-ND2 3.49Å; A281-N386 CarbonylContact O-C 3.24Å; A281-N386 WeakPolarHBondContact O-CA 3.38Å; S282-N386 WeakPolarHBondContact CA-OD1 3.39Å; Y284-N386 PolarHBondContact O-N 3.35Å; N386-G388 PolarHBondContact O-N 3Å
387M98.4Very high97.3Very high7 Ų734.7 Ų34.73%0.03420%0.201CC..  trans-95.727.7-171.5-79.3-65.6-7400114Y41 A281 Y284 L286 F327 F384 E385 T391Y41-M387 HydrophobicContact CE1-CB 3.79Å; Y41-M387 WeakPolarHBondContact CE1-O 3.41Å; Y41-M387 PolarHBondContact OH-O 3.21Å; A281-M387 PolarHBondContact O-N 3.26Å; Y284-M387 PolarHBondContact O-N 3.31Å; L286-M387 HydrophobicContact CB-CB 4.03Å; L286-M387 HydrophobicContact CB-CG 4.13Å; L286-M387 HydrophobicContact CD2-CE 3.85Å; F327-M387 HydrophobicContact CD1-CE 3.88Å; F327-M387 HydrophobicContact CE1-CE 3.91Å; F327-M387 HydrophobicContact CG-CE 4.45Å; F327-M387 HydrophobicContact CZ-CE 4.49Å; F384-M387 HydrophobicContact CB-CG 3.78Å; F384-M387 WeakPolarHBondContact O-CG 3.35Å; E385-M387 VanDerWaalsContact C-N 3.25Å; E385-M387 PolarHBondContact O-N 3.28Å; M387-T391 HydrophobicContact CB-CG2 4.46Å; M387-T391 HydrophobicContact CE-CG2 3.6Å; M387-T391 WeakPolarHBondContact O-CB 3.4Å; M387-T391 WeakPolarHBondContact O-CG2 3.27Å; M387-T391 PolarHBondContact O-OG1 3.46Å; M387-T391 HydrophobicContact SD-CG2 3.92Å
388G98.3Very high97.4Very high0 Ų034.4 Ų34.40%020%0.198CC..  trans-98-10-173.300000116.7N71 V280 A281 Y284 N386N71-G388 WeakPolarHBondContact CB-O 3.47Å; N71-G388 PolarHBondContact ND2-O 3.22Å; V280-G388 WeakPolarHBondContact CG2-O 3.46Å; V280-G388 WeakPolarHBondContact O-CA 3.09Å; A281-G388 PolarHBondContact O-N 2.8Å; A281-G388 VanDerWaalsContact O-N 3.08Å; Y284-G388 VanDerWaalsContact CB-CA 3.43Å; N386-G388 PolarHBondContact O-N 3Å
389A98.3Very high97.5Very high5 Ų533.7 Ų33.74%0.04119%0.192CC..SBendtrans-116.8125.4-173.800000111.4C70 R277 V280 A281 T391C70-A389 VanDerWaalsContact SG-CB 3.57Å; R277-A389 HydrophobicContact CB-CB 3.94Å; R277-A389 HydrophobicContact CG-CB 3.59Å; V280-A389 HydrophobicContact CG2-CB 4.15Å; A281-A389 HydrophobicContact CB-CB 4Å; A389-T391 PolarHBondContact O-N 3.24Å
390Y98.1Very high97.7Very high52 Ų5235.6 Ų35.620%0.20421%0.211CC..SBendtrans56.832.6179.1-50-70.8000113.9C70 R277 N328 C329C70-Y390 HydrophobicContact CB-CE1 3.98Å; C70-Y390 PolarHBondContact O-N 3.46Å; R277-Y390 HydrophobicContact CB-CE2 4.43Å; N328-Y390 PolarHBondContact OD1-O 3.27Å; C329-Y390 WeakPolarHBondContact CB-O 3.36Å
391T98.7Very high97.9Very high3 Ų336.6 Ų36.62%0.01821%0.213CC..SBendtrans-107.2-88.6176.950.40000109.3N328 C329 M387 A389 A393 A394 S395N328-T391 PolarHBondContact ND2-O 3.1Å; C329-T391 HydrophobicContact CB-CG2 4.13Å; M387-T391 HydrophobicContact CB-CG2 4.46Å; M387-T391 HydrophobicContact CE-CG2 3.6Å; M387-T391 WeakPolarHBondContact O-CB 3.4Å; M387-T391 WeakPolarHBondContact O-CG2 3.27Å; M387-T391 PolarHBondContact O-OG1 3.46Å; M387-T391 HydrophobicContact SD-CG2 3.92Å; A389-T391 PolarHBondContact O-N 3.24Å; T391-A393 PolarHBondContact O-N 2.85Å; T391-A393 VanDerWaalsContact O-N 3.12Å; T391-A394 PolarHBondContact O-N 3.43Å; T391-A394 VanDerWaalsContact O-N 3.11Å; T391-S395 PolarHBondContact O-N 2.9Å
392V98.2Very high98Very high22 Ų2242.8 Ų42.813%0.13324%0.242CC..G310 helixtrans-55.7-34.2-178.5-62.80000112.8Y41 A394 S395 I406Y41-V392 HydrophobicContact CD2-CG1 4.09Å; Y41-V392 HydrophobicContact CE2-CG1 3.48Å; Y41-V392 VanDerWaalsContact CE2-CG1 3.48Å; V392-A394 PolarHBondContact O-N 3.31Å; V392-S395 WeakPolarHBondContact O-CB 3.48Å; V392-S395 PolarHBondContact O-N 3.2Å; V392-S395 PolarHBondContact O-OG 2.85Å; V392-I406 HydrophobicContact CG1-CD1 4.4Å
393A98.1Very high98.1Very high38 Ų3849.3 Ų49.331%0.31427%0.267SS..G310 helixtrans-61.4-28-178.900000114T391T391-A393 PolarHBondContact O-N 2.85Å; T391-A393 VanDerWaalsContact O-N 3.12Å
394A98.1Very high98.2Very high53 Ų5349.6 Ų49.644%0.43827%0.269SS..G310 helixtrans-1158.9-178.800000112.9N328 T391 V392N328-A394 WeakPolarHBondContact OD1-CB 3.37Å; T391-A394 PolarHBondContact O-N 3.43Å; T391-A394 VanDerWaalsContact O-N 3.11Å; V392-A394 PolarHBondContact O-N 3.31Å
395S97.8Very high98.1Very high10 Ų1054.5 Ų54.57%0.0730%0.295CS..  trans-70.7143.4178.666.10000112.3G325 T391 V392 R403G325-S395 WeakPolarHBondContact O-CB 3.3Å; T391-S395 PolarHBondContact O-N 2.9Å; V392-S395 WeakPolarHBondContact O-CB 3.48Å; V392-S395 PolarHBondContact O-N 3.2Å; V392-S395 PolarHBondContact O-OG 2.85Å; S395-R403 PolarHBondContact O-NE 3.34Å; S395-R403 PolarHBondContact O-NH2 3.19Å; S395-R403 VanDerWaalsContact OG-CD 3.23Å; S395-R403 WeakPolarHBondContact OG-CD 3.34Å; S395-R403 PolarHBondContact OG-NE 3.05Å
396S98.4Very high98.2Very high49 Ų4952.3 Ų52.334%0.34329%0.286SS..  trans-116174.1173.876.40000111Y324 F398Y324-S396 PolarHBondContact O-N 3.38Å; Y324-S396 PolarHBondContact O-OG 3.49Å; S396-F398 PolarHBondContact OG-N 2.91Å
397T98.6Very high98.2Very high61 Ų6154.1 Ų54.137%0.37429%0.29SS..  trans-11137.3172.355.40000111.3G400 F401 R403T397-G400 WeakPolarHBondContact O-CA 3.36Å; T397-G400 PolarHBondContact O-N 2.95Å; T397-F401 VanDerWaalsContact CA-O 3.31Å; T397-F401 WeakPolarHBondContact CA-O 3.36Å; T397-F401 WeakPolarHBondContact CB-O 3.17Å; T397-F401 WeakPolarHBondContact CG2-O 3.4Å; T397-R403 HydrophobicContact CG2-CG 4.45Å
398F98.4Very high98.1Very high89 Ų8955.6 Ų55.639%0.3930%0.295SS..G310 helixtrans-55.6141.8176.8-178.7-110.5000111Y324 T360 S396 G400Y324-F398 HydrophobicContact CD1-CB 3.87Å; Y324-F398 AromaticContact CD1-CD1 3.74Å; Y324-F398 HydrophobicContact CD1-CD1 3.74Å; Y324-F398 HydrophobicContact CD1-CE1 4.5Å; Y324-F398 AromaticContact CD1-CG 3.91Å; Y324-F398 HydrophobicContact CD1-CG 3.91Å; Y324-F398 AromaticContact CD2-CD1 3.89Å; Y324-F398 HydrophobicContact CD2-CD1 3.89Å; Y324-F398 HydrophobicContact CD2-CE1 4.41Å; Y324-F398 AromaticContact CE1-CD1 3.87Å; Y324-F398 HydrophobicContact CE1-CD1 3.87Å; Y324-F398 HydrophobicContact CE1-CE1 4.19Å; Y324-F398 HydrophobicContact CE1-CG 4.19Å; Y324-F398 HydrophobicContact CE2-CD1 4.02Å; Y324-F398 HydrophobicContact CE2-CE1 4.1Å; Y324-F398 HydrophobicContact CG-CB 4.08Å; Y324-F398 AromaticContact CG-CD1 3.75Å; Y324-F398 HydrophobicContact CG-CD1 3.75Å; Y324-F398 HydrophobicContact CG-CG 4.23Å; Y324-F398 AromaticContact CZ-CE1 3.98Å; T360-F398 HydrophobicContact CG2-CD1 4.12Å; S396-F398 PolarHBondContact OG-N 2.91Å; F398-G400 PolarHBondContact O-N 3.36Å; F398-G400 VanDerWaalsContact O-N 3.08Å
399N98.4Very high98.1Very high73 Ų7355.7 Ų55.739%0.3930%0.296SS..G310 helixtrans60.17.6-171-73-172.1000115.4T360 C361 F401T360-N399 WeakPolarHBondContact CB-OD1 3.41Å; T360-N399 HydrophobicContact CG2-CB 4.41Å; C361-N399 PolarHBondContact N-OD1 2.83Å; N399-F401 HydrophobicContact CB-CD2 3.75Å; N399-F401 HydrophobicContact CB-CE2 3.59Å
400G98.1Very high97.9Very high48 Ų4855.6 Ų55.650%0.49529%0.294SS..G310 helixtrans87.21.2175.600000114.9T397 F398 Q402T397-G400 WeakPolarHBondContact O-CA 3.36Å; T397-G400 PolarHBondContact O-N 2.95Å; F398-G400 PolarHBondContact O-N 3.36Å; F398-G400 VanDerWaalsContact O-N 3.08Å; G400-Q402 PolarHBondContact O-N 2.96Å; G400-Q402 PolarHBondContact O-NE2 3.14Å
401F98.5Very high97.7Very high86 Ų8654.3 Ų54.338%0.37729%0.293SS..PPolyproline II helixtrans-66.6131.6173.2-61.7-72.3000110.2P359 T360 T397 N399P359-F401 HydrophobicContact CB-CD1 4.01Å; P359-F401 HydrophobicContact CB-CD2 4.3Å; P359-F401 HydrophobicContact CB-CE1 3.74Å; P359-F401 HydrophobicContact CB-CE2 4.06Å; P359-F401 HydrophobicContact CB-CG 4.28Å; P359-F401 HydrophobicContact CB-CZ 3.77Å; P359-F401 HydrophobicContact CG-CD1 4.09Å; P359-F401 HydrophobicContact CG-CD2 4Å; P359-F401 HydrophobicContact CG-CE1 4.31Å; P359-F401 HydrophobicContact CG-CE2 4.22Å; P359-F401 HydrophobicContact CG-CG 3.94Å; P359-F401 HydrophobicContact CG-CZ 4.37Å; P359-F401 VanDerWaalsContact O-CE2 3.3Å; P359-F401 WeakPolarHBondContact O-CE2 3.37Å; P359-F401 WeakPolarHBondContact O-CZ 3.4Å; T360-F401 HydrophobicContact CG2-CD2 4.07Å; T360-F401 HydrophobicContact CG2-CE2 4.22Å; T397-F401 VanDerWaalsContact CA-O 3.31Å; T397-F401 WeakPolarHBondContact CA-O 3.36Å; T397-F401 WeakPolarHBondContact CB-O 3.17Å; T397-F401 WeakPolarHBondContact CG2-O 3.4Å; N399-F401 HydrophobicContact CB-CD2 3.75Å; N399-F401 HydrophobicContact CB-CE2 3.59Å
402Q98.5Very high97.4Very high148 Ų14861.2 Ų61.269%0.69232%0.319SS*.PPolyproline II helixtrans-82.1159.9-178.1-60.5-53.1-60.100110.8G400G400-Q402 PolarHBondContact O-N 2.96Å; G400-Q402 PolarHBondContact O-NE2 3.14Å
403R98.6Very high97.1Very high136 Ų13663.4 Ų63.451%0.51333%0.333SS..PPolyproline II helixtrans-72.1142.1173.8-64.7-176.7179.893.50.3109.4S395 T397S395-R403 PolarHBondContact O-NE 3.34Å; S395-R403 PolarHBondContact O-NH2 3.19Å; S395-R403 VanDerWaalsContact OG-CD 3.23Å; S395-R403 WeakPolarHBondContact OG-CD 3.34Å; S395-R403 PolarHBondContact OG-NE 3.05Å; T397-R403 HydrophobicContact CG2-CG 4.45Å
404P98.3Very high96.8Very high17 Ų1761.9 Ų61.911%0.1132%0.321CS..PPolyproline II helixtrans-56.2140.3172.5-25.734.6000112.3A39 Y41 L286 D321A39-P404 HydrophobicContact CB-CB 4.15Å; A39-P404 HydrophobicContact CB-CG 3.91Å; A39-P404 WeakPolarHBondContact O-CA 3.36Å; A39-P404 WeakPolarHBondContact O-CB 3.49Å; Y41-P404 HydrophobicContact CD2-CB 3.9Å; Y41-P404 HydrophobicContact CD2-CG 4.48Å; Y41-P404 HydrophobicContact CE2-CB 4.18Å; Y41-P404 HydrophobicContact CE2-CG 4.27Å; L286-P404 HydrophobicContact CD1-CB 4.33Å; L286-P404 HydrophobicContact CD1-CG 4.1Å; D321-P404 VanDerWaalsContact OD2-CG 3.23Å; D321-P404 WeakPolarHBondContact OD2-CG 3.34Å
405D96.9Very high96.6Very high106 Ų10661.9 Ų61.957%0.56731%0.31SS*.EExtended strand (participates in β ladder)trans-65.9149.4171.7-78.5-29.2000110.9F40 Y41 Y407F40-D405 CarbonylContact C-O 3.55Å; F40-D405 WeakPolarHBondContact CA-O 3.46Å; Y41-D405 PolarHBondContact N-O 3.09Å; D405-Y407 HydrophobicContact CB-CE2 4.37Å
406I97.9Very high96.3Very high45 Ų4567.3 Ų67.323%0.23133%0.334CS..EExtended strand (participates in β ladder)trans-115.2113.9-179.5-51.5171.5000109.7Y41 C43 Y284 V392 Y408Y41-I406 HydrophobicContact CD2-CG1 4.26Å; Y41-I406 HydrophobicContact CG-CG1 4.49Å; C43-I406 HydrophobicContact CB-CG2 3.85Å; Y284-I406 HydrophobicContact CD1-CG2 4.47Å; Y284-I406 HydrophobicContact CE1-CD1 4.31Å; Y284-I406 HydrophobicContact CE1-CG2 3.85Å; V392-I406 HydrophobicContact CG1-CD1 4.4Å; I406-Y408 HydrophobicContact CB-CE2 4.21Å; I406-Y408 HydrophobicContact CG2-CD1 4.09Å; I406-Y408 HydrophobicContact CG2-CD2 4.47Å; I406-Y408 HydrophobicContact CG2-CE1 3.54Å; I406-Y408 HydrophobicContact CG2-CE2 4Å; I406-Y408 VanDerWaalsContact CG2-CZ 3.49Å
407Y96.9Very high95.9Very high88 Ų8866.6 Ų66.635%0.34532%0.324SS..EExtended strand (participates in β ladder)trans-92.2105.2174.4-61.4-76.9000110.3K27 F40 Y41 V42 C43 D405K27-Y407 HydrophobicContact CD-CD2 4.37Å; K27-Y407 HydrophobicContact CD-CE1 4.42Å; K27-Y407 HydrophobicContact CD-CE2 4.18Å; F40-Y407 HydrophobicContact CB-CD2 4.06Å; F40-Y407 HydrophobicContact CB-CE2 3.67Å; F40-Y407 AromaticContact CD2-CD2 3.88Å; F40-Y407 HydrophobicContact CD2-CD2 3.88Å; F40-Y407 HydrophobicContact CD2-CE2 4.05Å; F40-Y407 HydrophobicContact CG-CD2 4.26Å; F40-Y407 AromaticContact CG-CE2 4Å; F40-Y407 HydrophobicContact CG-CE2 4Å; Y41-Y407 WeakPolarHBondContact O-CD2 3.31Å; Y41-Y407 PolarHBondContact O-N 3.43Å; V42-Y407 WeakPolarHBondContact CA-O 3.28Å; C43-Y407 PolarHBondContact N-O 3.31Å; D405-Y407 HydrophobicContact CB-CE2 4.37Å
408Y97.5Very high95.6Very high38 Ų3863.9 Ų63.915%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-80.7131.2177.1-59.8-74.3000111.3F11 S12 C43 L45 S73 A75 I406F11-Y408 CarbonylContact C-O 3.58Å; F11-Y408 WeakPolarHBondContact CA-O 3.48Å; F11-Y408 WeakPolarHBondContact CB-O 3.33Å; S12-Y408 PolarHBondContact N-O 3.45Å; C43-Y408 HydrophobicContact CB-CD1 3.56Å; C43-Y408 HydrophobicContact CB-CE1 3.85Å; C43-Y408 WeakPolarHBondContact O-CA 3.35Å; L45-Y408 HydrophobicContact CD1-CD1 4.4Å; L45-Y408 HydrophobicContact CD2-CD1 4.11Å; L45-Y408 HydrophobicContact CG-CD1 4.27Å; S73-Y408 WeakPolarHBondContact CB-OH 3.5Å; S73-Y408 PolarHBondContact OG-OH 3.31Å; A75-Y408 HydrophobicContact CB-CD1 3.72Å; A75-Y408 HydrophobicContact CB-CD2 4.06Å; A75-Y408 HydrophobicContact CB-CE1 3.55Å; A75-Y408 HydrophobicContact CB-CE2 3.88Å; A75-Y408 HydrophobicContact CB-CG 3.99Å; I406-Y408 HydrophobicContact CB-CE2 4.21Å; I406-Y408 HydrophobicContact CG2-CD1 4.09Å; I406-Y408 HydrophobicContact CG2-CD2 4.47Å; I406-Y408 HydrophobicContact CG2-CE1 3.54Å; I406-Y408 HydrophobicContact CG2-CE2 4Å; I406-Y408 VanDerWaalsContact CG2-CZ 3.49Å
409V96.8Very high95.2Very high3 Ų364 Ų642%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-130.1150.9177.3-57.60000111.2S12 L14 A20 I23 V42 C43 D44 L45S12-V409 VanDerWaalsContact O-CA 3.31Å; S12-V409 WeakPolarHBondContact O-CA 3.38Å; L14-V409 HydrophobicContact CD1-CG2 4.46Å; L14-V409 HydrophobicContact CD2-CB 3.9Å; L14-V409 HydrophobicContact CD2-CG1 4.35Å; L14-V409 HydrophobicContact CD2-CG2 4.08Å; L14-V409 HydrophobicContact CG-CB 4.19Å; L14-V409 HydrophobicContact CG-CG2 4.42Å; A20-V409 HydrophobicContact CB-CG2 4.05Å; I23-V409 HydrophobicContact CG1-CG1 4.19Å; I23-V409 HydrophobicContact CG2-CG1 4.09Å; V42-V409 HydrophobicContact CG1-CG1 4.36Å; V42-V409 HydrophobicContact CG1-CG2 3.97Å; C43-V409 PolarHBondContact O-N 3.39Å; D44-V409 HydrophobicContact CB-CG2 4.36Å; L45-V409 PolarHBondContact N-O 3.08Å
410M95.6Very high94.8Very high2 Ų264.2 Ų64.21%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-153.7140.6174.8-174.7175.3-10200109.9F11 S12 F13 L14 L45 T79 A414 W415 V418F11-M410 HydrophobicContact CD2-CB 3.92Å; F11-M410 HydrophobicContact CE2-CB 3.93Å; S12-M410 PolarHBondContact O-N 3.33Å; S12-M410 VanDerWaalsContact O-N 3.07Å; F13-M410 VanDerWaalsContact CA-O 3.29Å; F13-M410 WeakPolarHBondContact CA-O 3.34Å; L14-M410 PolarHBondContact N-O 3.29Å; L45-M410 HydrophobicContact CB-CB 4.36Å; L45-M410 HydrophobicContact CB-CE 3.57Å; L45-M410 WeakPolarHBondContact O-CE 3.25Å; T79-M410 HydrophobicContact CG2-CE 4.3Å; M410-A414 HydrophobicContact CG-CB 3.84Å; M410-A414 HydrophobicContact SD-CB 4.48Å; M410-W415 HydrophobicContact CG-CB 4.34Å; M410-W415 HydrophobicContact SD-CB 3.83Å; M410-W415 HydrophobicContact SD-CE3 3.8Å; M410-V418 HydrophobicContact CE-CG2 3.96Å
411S93.7Very high94.3Very high25 Ų2562.3 Ų62.318%0.17529%0.286CS..EExtended strand (participates in β ladder)trans-72.5151.3173.374.60000111.5A414 W415S411-A414 PolarHBondContact O-N 3.34Å; S411-A414 VanDerWaalsContact OG-CB 3.29Å; S411-A414 WeakPolarHBondContact OG-CB 3.44Å; S411-A414 PolarHBondContact OG-N 3.23Å; S411-W415 PolarHBondContact O-N 2.64Å
412R92.1Very high93.7Very high148 Ų14862.1 Ų62.156%0.55830%0.295SS*.Hα-helixtrans-56.9-42.3175.6-63.5-178.9-177.3-78.5-0.6113F13 W415 Q416F13-R412 HydrophobicContact CB-CG 4.26Å; F13-R412 HydrophobicContact CD1-CG 3.86Å; F13-R412 HydrophobicContact CE1-CG 4.49Å; F13-R412 HydrophobicContact CG-CG 4.12Å; R412-W415 PolarHBondContact O-N 2.95Å; R412-Q416 WeakPolarHBondContact O-CG 3.27Å; R412-Q416 PolarHBondContact O-N 3.43Å
413P91.9Very high92.9Very high68 Ų6859.2 Ų59.244%0.44229%0.291SS..Hα-helixtrans-61.4-43.5175-25.135.8000113.1W415 Q416 Y417 L438P413-W415 VanDerWaalsContact C-N 3.32Å; P413-W415 PolarHBondContact O-N 2.89Å; P413-Q416 PolarHBondContact O-N 2.72Å; P413-Y417 PolarHBondContact O-N 3.12Å; P413-L438 HydrophobicContact CB-CD2 4.39Å; P413-L438 HydrophobicContact CG-CD2 4.41Å
414A92.6Very high92.2Very high6 Ų659.9 Ų59.95%0.0530%0.3CS..Hα-helixtrans-61.2-42.9177.600000111.4L49 M410 S411 Y417 V418L49-A414 HydrophobicContact CD2-CB 3.75Å; M410-A414 HydrophobicContact CG-CB 3.84Å; M410-A414 HydrophobicContact SD-CB 4.48Å; S411-A414 PolarHBondContact O-N 3.34Å; S411-A414 VanDerWaalsContact OG-CB 3.29Å; S411-A414 WeakPolarHBondContact OG-CB 3.44Å; S411-A414 PolarHBondContact OG-N 3.23Å; A414-Y417 WeakPolarHBondContact O-CB 3.17Å; A414-Y417 PolarHBondContact O-N 2.57Å; A414-V418 WeakPolarHBondContact O-CG2 3.43Å; A414-V418 PolarHBondContact O-N 2.88Å
415W92.4Very high91.3Very high53 Ų5360.8 Ų60.820%0.20131%0.312CS..Hα-helixtrans-61.6-47.7176.4174.4-111.7000113L6 F11 F13 M410 S411 R412 P413 Y417 V418 Q419L6-W415 HydrophobicContact CD2-CH2 3.78Å; F11-W415 HydrophobicContact CE1-CE3 4.3Å; F11-W415 HydrophobicContact CE1-CH2 4.29Å; F11-W415 AromaticContact CE1-CZ3 4Å; F11-W415 HydrophobicContact CE1-CZ3 4Å; F11-W415 HydrophobicContact CE2-CE3 4.44Å; F11-W415 AromaticContact CZ-CD2 3.92Å; F11-W415 HydrophobicContact CZ-CD2 3.92Å; F11-W415 AromaticContact CZ-CE3 3.63Å; F11-W415 HydrophobicContact CZ-CE3 3.63Å; F11-W415 HydrophobicContact CZ-CH2 4.22Å; F11-W415 AromaticContact CZ-CZ3 3.79Å; F11-W415 HydrophobicContact CZ-CZ3 3.79Å; F13-W415 HydrophobicContact CE1-CB 3.66Å; F13-W415 AromaticContact CE1-CD1 3.75Å; F13-W415 HydrophobicContact CE1-CD2 4.41Å; F13-W415 AromaticContact CE1-CG 3.64Å; F13-W415 HydrophobicContact CE1-CG 3.64Å; F13-W415 HydrophobicContact CZ-CB 4.47Å; F13-W415 AromaticContact CZ-CD1 3.74Å; F13-W415 HydrophobicContact CZ-CD2 4.47Å; F13-W415 AromaticContact CZ-CG 3.96Å; F13-W415 HydrophobicContact CZ-CG 3.96Å; M410-W415 HydrophobicContact CG-CB 4.34Å; M410-W415 HydrophobicContact SD-CB 3.83Å; M410-W415 HydrophobicContact SD-CE3 3.8Å; S411-W415 PolarHBondContact O-N 2.64Å; R412-W415 PolarHBondContact O-N 2.95Å; P413-W415 VanDerWaalsContact C-N 3.32Å; P413-W415 PolarHBondContact O-N 2.89Å; W415-Y417 PolarHBondContact O-N 2.73Å; W415-V418 PolarHBondContact O-N 2.76Å; W415-V418 VanDerWaalsContact O-N 3.17Å; W415-Q419 HydrophobicContact CD2-CG 4.23Å; W415-Q419 HydrophobicContact CZ2-CG 4Å; W415-Q419 WeakPolarHBondContact O-CG 3.37Å; W415-Q419 PolarHBondContact O-N 3.37Å
416Q91.3Very high90.2Very high125 Ų12559 Ų5958%0.58430%0.303SS*.Hα-helixtrans-57.7-40176.4-73.4172.1-15.200111.3R412 P413 Q419 Q420R412-Q416 WeakPolarHBondContact O-CG 3.27Å; R412-Q416 PolarHBondContact O-N 3.43Å; P413-Q416 PolarHBondContact O-N 2.72Å; Q416-Q419 PolarHBondContact O-N 2.83Å; Q416-Q420 PolarHBondContact O-N 3.2Å
417Y91.4Very high88.7Confident34 Ų3459.2 Ų59.213%0.13331%0.307CS..Hα-helixtrans-65.2-44.5176.6-164.5-82.7000112.1L49 L53 P413 A414 W415 Q419 Q420 V421 P427L49-Y417 HydrophobicContact CD1-CD1 3.56Å; L49-Y417 HydrophobicContact CD1-CE1 3.97Å; L49-Y417 HydrophobicContact CD2-CD1 4.1Å; L49-Y417 HydrophobicContact CD2-CG 4.34Å; L49-Y417 HydrophobicContact CG-CD1 4.44Å; L53-Y417 HydrophobicContact CD1-CE1 4.28Å; L53-Y417 HydrophobicContact CD2-CE1 3.72Å; L53-Y417 WeakPolarHBondContact CD2-OH 3.36Å; L53-Y417 HydrophobicContact CG-CE1 4.46Å; P413-Y417 PolarHBondContact O-N 3.12Å; A414-Y417 WeakPolarHBondContact O-CB 3.17Å; A414-Y417 PolarHBondContact O-N 2.57Å; W415-Y417 PolarHBondContact O-N 2.73Å; Y417-Q419 VanDerWaalsContact C-N 3.28Å; Y417-Q419 PolarHBondContact O-N 3.15Å; Y417-Q420 WeakPolarHBondContact O-CB 3.03Å; Y417-Q420 PolarHBondContact O-N 3.34Å; Y417-Q420 VanDerWaalsContact O-N 3.13Å; Y417-V421 HydrophobicContact CD1-CG2 3.74Å; Y417-V421 HydrophobicContact CE1-CG2 3.41Å; Y417-V421 VanDerWaalsContact CE1-CG2 3.41Å; Y417-V421 WeakPolarHBondContact O-CG2 3.46Å; Y417-V421 PolarHBondContact O-N 2.57Å; Y417-P427 HydrophobicContact CE2-CG 4.49Å; Y417-P427 WeakPolarHBondContact OH-CG 3.06Å
418V91.6Very high86.9Confident4 Ų458.9 Ų58.92%0.02432%0.322CS..Hα-helixtrans-58.1-42.3174.3172.70000110.9L49 L83 M410 A414 W415 V421 C422L49-V418 HydrophobicContact CD2-CG2 4.37Å; L83-V418 HydrophobicContact CD2-CG2 4.1Å; M410-V418 HydrophobicContact CE-CG2 3.96Å; A414-V418 WeakPolarHBondContact O-CG2 3.43Å; A414-V418 PolarHBondContact O-N 2.88Å; W415-V418 PolarHBondContact O-N 2.76Å; W415-V418 VanDerWaalsContact O-N 3.17Å; V418-V421 PolarHBondContact O-N 2.95Å; V418-C422 VanDerWaalsContact O-CB 3.29Å; V418-C422 WeakPolarHBondContact O-CB 3.34Å; V418-C422 PolarHBondContact O-N 2.93Å
419Q89.3Confident84.8Confident92 Ų9262.9 Ų62.943%0.4335%0.352SS..Hα-helixtrans-64.4-39176.4-67.8-175.1-51.100112.4W415 Q416 Y417 C422 S423W415-Q419 HydrophobicContact CD2-CG 4.23Å; W415-Q419 HydrophobicContact CZ2-CG 4Å; W415-Q419 WeakPolarHBondContact O-CG 3.37Å; W415-Q419 PolarHBondContact O-N 3.37Å; Q416-Q419 PolarHBondContact O-N 2.83Å; Y417-Q419 VanDerWaalsContact C-N 3.28Å; Y417-Q419 PolarHBondContact O-N 3.15Å; Q419-C422 PolarHBondContact O-N 2.76Å; Q419-S423 WeakPolarHBondContact O-CB 3.42Å; Q419-S423 PolarHBondContact O-N 3.29Å; Q419-S423 VanDerWaalsContact O-N 3.1Å; Q419-S423 PolarHBondContact O-OG 2.85Å
420Q89.8Confident82.3Confident77 Ų7768.5 Ų68.536%0.3639%0.387SS..Hα-helixtrans-62.5-49.9174.7-175.7-178.6-4.300110.9Q416 Y417 C422 S423 Q424Q416-Q420 PolarHBondContact O-N 3.2Å; Y417-Q420 WeakPolarHBondContact O-CB 3.03Å; Y417-Q420 PolarHBondContact O-N 3.34Å; Y417-Q420 VanDerWaalsContact O-N 3.13Å; Q420-C422 VanDerWaalsContact C-N 3.31Å; Q420-C422 PolarHBondContact O-N 3.29Å; Q420-S423 PolarHBondContact O-N 2.72Å; Q420-S423 VanDerWaalsContact O-N 3.17Å; Q420-S423 PolarHBondContact O-OG 3.14Å; Q420-S423 VanDerWaalsContact O-OG 3.09Å; Q420-Q424 WeakPolarHBondContact O-CB 3.43Å; Q420-Q424 PolarHBondContact O-N 3.47Å
421V88.7Confident79.6Confident7 Ų777.4 Ų77.44%0.04243%0.428CS..Hα-helixtrans-59.2-43.5177.6173.70000111.3L83 Y417 V418 S423 G425 L426L83-V421 HydrophobicContact CD2-CB 4.32Å; L83-V421 HydrophobicContact CD2-CG1 4.21Å; L83-V421 HydrophobicContact CD2-CG2 4.38Å; Y417-V421 HydrophobicContact CD1-CG2 3.74Å; Y417-V421 HydrophobicContact CE1-CG2 3.41Å; Y417-V421 VanDerWaalsContact CE1-CG2 3.41Å; Y417-V421 WeakPolarHBondContact O-CG2 3.46Å; Y417-V421 PolarHBondContact O-N 2.57Å; V418-V421 PolarHBondContact O-N 2.95Å; V421-S423 VanDerWaalsContact C-N 3.27Å; V421-S423 PolarHBondContact O-N 2.97Å; V421-G425 WeakPolarHBondContact O-CA 3.49Å; V421-G425 PolarHBondContact O-N 3.04Å; V421-L426 HydrophobicContact CG1-CD1 3.8Å; V421-L426 HydrophobicContact CG2-CD1 3.93Å
422C85.7Confident77Confident82 Ų8284 Ų8455%0.55446%0.456SS*.Hα-helixtrans-63.5-33.2-179.9-176.40000112.7V418 Q419 Q420V418-C422 VanDerWaalsContact O-CB 3.29Å; V418-C422 WeakPolarHBondContact O-CB 3.34Å; V418-C422 PolarHBondContact O-N 2.93Å; Q419-C422 PolarHBondContact O-N 2.76Å; Q420-C422 VanDerWaalsContact C-N 3.31Å; Q420-C422 PolarHBondContact O-N 3.29Å
423S82.4Confident74.6Confident88 Ų8885.5 Ų85.562%0.61547%0.47SS*.Hα-helixtrans-91.7-31.5-177.556.10000114.3Q419 Q420 V421Q419-S423 WeakPolarHBondContact O-CB 3.42Å; Q419-S423 PolarHBondContact O-N 3.29Å; Q419-S423 VanDerWaalsContact O-N 3.1Å; Q419-S423 PolarHBondContact O-OG 2.85Å; Q420-S423 PolarHBondContact O-N 2.72Å; Q420-S423 VanDerWaalsContact O-N 3.17Å; Q420-S423 PolarHBondContact O-OG 3.14Å; Q420-S423 VanDerWaalsContact O-OG 3.09Å; V421-S423 VanDerWaalsContact C-N 3.27Å; V421-S423 PolarHBondContact O-N 2.97Å
424Q83.6Confident72Confident149 Ų14987 Ų8770%0.69648%0.482SS*.Hα-helixtrans-122.3-5.8-169.5-61.1174.812.200113.5Q420Q420-Q424 WeakPolarHBondContact O-CB 3.43Å; Q420-Q424 PolarHBondContact O-N 3.47Å
425G78.4Confident69.6Low36 Ų3692.7 Ų92.737%0.37151%0.511SS..  trans79.7173.4-168.200000112.3V421 P427V421-G425 WeakPolarHBondContact O-CA 3.49Å; V421-G425 PolarHBondContact O-N 3.04Å; G425-P427 WeakPolarHBondContact O-CD 3.24Å
426L75.3Confident67.3Low70 Ų7096.3 Ų96.337%0.36653%0.528SS..SBendtrans-65.2125.1175.6-137.589.1000109H52 A56 V421H52-L426 WeakPolarHBondContact NE2-CD1 3.06Å; A56-L426 HydrophobicContact CB-CD2 3.7Å; V421-L426 HydrophobicContact CG1-CD1 3.8Å; V421-L426 HydrophobicContact CG2-CD1 3.93Å
427P65.9Low64.6Low49 Ų4997.9 Ų97.932%0.31854%0.541SS..PPolyproline II helixtrans-61.5148.217423.3-30.2000110.2Y417 G425Y417-P427 HydrophobicContact CE2-CG 4.49Å; Y417-P427 WeakPolarHBondContact OH-CG 3.06Å; G425-P427 WeakPolarHBondContact O-CD 3.24Å
428A57.8Low62.2Low80 Ų80100.2 Ų100.266%0.66156%0.555SS**PPolyproline II helixtrans-55.5145.2174.100000109.8V430A428-V430 PolarHBondContact O-N 3.01Å
429P53.8Low59.2Low122 Ų122105 Ų10579%0.79259%0.586SS**  trans-55.9111.1176.2-18.829.3000109
430V43.9Very low56.5Low122 Ų122104.7 Ų104.774%0.73960%0.599SS**  trans-79.3124.9172.2-169.80000106.5A428 E432A428-V430 PolarHBondContact O-N 3.01Å; V430-E432 PolarHBondContact O-N 2.98Å
431E39.5Very low53.9Low189 Ų189106.5 Ų106.588%0.88362%0.619SS**SBendtrans-67.883.8162.7-71.6-176.8167.700107.8
432E39.3Very low51.3Low162 Ų162111.5 Ų111.576%0.75765%0.653SS**  trans-176.1140.4154.8-106.6167.3-165.200113.2V430 S434V430-E432 PolarHBondContact O-N 2.98Å; E432-S434 PolarHBondContact O-N 2.79Å
433E41.5Very low48.5Very low180 Ų180111.6 Ų111.684%0.84167%0.668SS**SBendtrans-68.913.3-167.2-67.4173.3135.100116.7L435E433-L435 PolarHBondContact O-N 3.09Å
434S38.1Very low46.2Very low101 Ų101116.8 Ų116.871%0.70667%0.674SS**THydrogen-bonded Turntrans-89.3-1.8-165.562.70000116.8E432E432-S434 PolarHBondContact O-N 2.79Å
435L42.5Very low43.6Very low124 Ų124118.6 Ų118.665%0.64968%0.682SS**THydrogen-bonded Turntrans-94.20.2175.6-90.4157000113.8E433E433-L435 PolarHBondContact O-N 3.09Å
436F42.8Very low41.2Very low130 Ų130122.3 Ų122.357%0.5770%0.703SS**  trans-97.42.6-175.8-74.3-73.8000115.7R57 L438R57-F436 VanDerWaalsContact NH1-CE2 3.33Å; F436-L438 PolarHBondContact O-N 2.98Å; F436-L438 VanDerWaalsContact O-N 3.14Å
437D36.2Very low39.1Very low157 Ų157124.5 Ų124.584%0.8472%0.724SS**  trans-84.539.3167.2-78.1-23000112.5
438L39.6Very low37.2Very low84 Ų84130.1 Ų130.144%0.4475%0.751SS.*SBendtrans-87113.6150.4-75.5166.7000105P413 F436 A440P413-L438 HydrophobicContact CB-CD2 4.39Å; P413-L438 HydrophobicContact CG-CD2 4.41Å; F436-L438 PolarHBondContact O-N 2.98Å; F436-L438 VanDerWaalsContact O-N 3.14Å; L438-A440 PolarHBondContact O-N 3.13Å
439P28.4Very low35.8Very low103 Ų103134 Ų13467%0.66976%0.76SS**  trans-58.3109.5-170.421.3-31000109.9C441P439-C441 PolarHBondContact O-N 2.82Å
440A33.7Very low34.7Very low86 Ų86135.2 Ų135.271%0.71176%0.757SS**  trans-69.486.1153.600000105.9L438 C442L438-A440 PolarHBondContact O-N 3.13Å; A440-C442 PolarHBondContact O-N 3.43Å
441C34.5Very low33.9Very low116 Ų116134.8 Ų134.878%0.78476%0.759SS**  trans-71.668165.2-84.30000109.5P439P439-C441 PolarHBondContact O-N 2.82Å
442C33.6Very low33.6Very low111 Ų111132.1 Ų132.175%0.7576%0.756SS**  trans-12770.9165-72.90000107.9A440 R444A440-C442 PolarHBondContact O-N 3.43Å; C442-R444 VanDerWaalsContact C-N 3.3Å; C442-R444 PolarHBondContact O-N 2.75Å; C442-R444 VanDerWaalsContact O-N 3.09Å
443G28.4Very low32.9Very low84 Ų84133.5 Ų133.587%0.86676%0.76SS**  trans-70.791.5156.100000108.5E445G443-E445 PolarHBondContact O-N 3.44Å
444R32.5Very low32.3Very low197 Ų197130.5 Ų130.574%0.74376%0.756SS**  trans-82.698159.3-81.6-172.3-179.5-178.83.9107D243 C442D243-R444 IonicContact OD1-CZ 2.88Å; D243-R444 IonicContact OD1-NH1 3.16Å; D243-R444 IonicContact OD1-NH2 3.75Å; D243-R444 PolarHBondContact OD1-NH2 2.93Å; C442-R444 VanDerWaalsContact C-N 3.3Å; C442-R444 PolarHBondContact O-N 2.75Å; C442-R444 VanDerWaalsContact O-N 3.09Å
445E28.8Very low31.8Very low187 Ų187132 Ų13287%0.87477%0.765SS**  trans-73135.1147.6-80.2-176.9160.100107.3G443 S447G443-E445 PolarHBondContact O-N 3.44Å; E445-S447 PolarHBondContact O-N 2.97Å
446S29.1Very low31.1Very low115 Ų115134.8 Ų134.880%0.80477%0.774SS**  trans-41.9119.3-174.351.40000114.1L448S446-L448 PolarHBondContact O-N 3.07Å
447S30.9Very low30.4Very low115 Ų115133.2 Ų133.280%0.80479%0.785SS**  trans-67.9122.5164.147.40000109.8E445E445-S447 PolarHBondContact O-N 2.97Å
448L27.1Very low29.9Very low168 Ų168134.4 Ų134.488%0.8879%0.785SS**  trans-62137.1165.1-85.2140.7000110S446 M450S446-L448 PolarHBondContact O-N 3.07Å; L448-M450 PolarHBondContact O-N 3.31Å
449D28.6Very low29.4Very low161 Ų161137 Ų13786%0.86180%0.804SS**  trans-45.2120.2178.5-82.3-39.8000113.3
450M30.2Very low29.7Very low148 Ų148141.8 Ų141.873%0.72983%0.831SS**  trans-89.9106.3154.3-68.1-157.479.600108.1L448 T452L448-M450 PolarHBondContact O-N 3.31Å; M450-T452 PolarHBondContact O-N 3.47Å
451S27.4Very low29.5Very low112 Ų112144.6 Ų144.678%0.78384%0.837SS**  trans-56112.7178.4171.30000112.1
452T31.6Very low29.3Very low133 Ų133146.1 Ų146.182%0.81684%0.84SS**  trans-99.6113.716753.80000109.6M450M450-T452 PolarHBondContact O-N 3.47Å
453K26.1Very low29Very low191 Ų191148.1 Ų148.183%0.8385%0.845SS**PPolyproline II helixtrans-92.9126.2159.8-82.7-175.2178.3176.30108.8C455K453-C455 PolarHBondContact O-N 3.07Å
454P27.9Very low29.1Very low117 Ų117151.8 Ų151.876%0.7684%0.844SS**PPolyproline II helixtrans-76.1124.2173.528.6-29.6000110
455C27.8Very low28.8Very low134 Ų134149 Ų14991%0.90585%0.85SS**PPolyproline II helixtrans-98.3125.4164.5-108.20000109.2K453 A457K453-C455 PolarHBondContact O-N 3.07Å; C455-A457 PolarHBondContact O-N 3.43Å
456H28.1Very low28.8Very low182 Ų182146.5 Ų146.584%0.84385%0.849SS**PPolyproline II helixtrans-67.1117.9177.6-73-75.4000110.8
457A28Very low28.8Very low96 Ų96148.7 Ų148.779%0.79385%0.852SS**PPolyproline II helixtrans-79118.1166.600000109.7C455C455-A457 PolarHBondContact O-N 3.43Å
458H26.6Very low28.7Very low183 Ų183151.3 Ų151.385%0.84786%0.855SS**PPolyproline II helixtrans-77.1118.8161.9-86.3-72.6000108.7
459V28.4Very low28.8Very low137 Ų137149.9 Ų149.983%0.8385%0.853SS**PPolyproline II helixtrans-75.7127.7167.8-179.50000108.1
460V34.9Very low28.8Very low205 Ų205148.9 Ų148.9100%1.24285%0.853SS**  trans-105.40158.4177.90000107.9

Retrieved 460 of 460 residues in 182.7 ms (Link to these results)

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