A0A087Y1M1_POEFO Loading...

F-BAR domain only protein 2

AlphaFold DB , UniProt , Accession A0A087Y1M1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 860 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
1M55.9Low89.7Confident235 Ų23592.8 Ų92.8100%1.15845%0.448SS*.  0125.70-130.2169.7-73.100106.9
2I78.5Confident89.9Confident92 Ų9289.1 Ų89.147%0.47245%0.452SS..  trans-78.7158.4171.4-59.7-172.8000107.9Y5 E207I2-Y5 HydrophobicContact CG2-CD2 4.04Å; I2-Y5 HydrophobicContact CG2-CE2 3.68Å; I2-E207 WeakPolarHBondContact CB-OE1 3.47Å; I2-E207 HydrophobicContact CD1-CG 4.21Å; I2-E207 WeakPolarHBondContact CD1-OE2 3.14Å
3T88.2Confident89.7Confident61 Ų6197.6 Ų97.637%0.37449%0.489SS..  trans-52.7140.4170.5-45.90000109.9Y5 Q203T3-Y5 HydrophobicContact CG2-CD1 4.16Å; T3-Y5 HydrophobicContact CG2-CE1 3.88Å; T3-Y5 VanDerWaalsContact O-CD2 3.27Å; T3-Y5 WeakPolarHBondContact O-CD2 3.32Å; T3-Y5 PolarHBondContact O-N 3.17Å; T3-Y5 PolarHBondContact OG1-OH 2.81Å; T3-Q203 PolarHBondContact O-NE2 3.45Å
4P92Very high89.8Confident39 Ų39102 Ų10225%0.25350%0.504SS..  trans-79.463.3-176.436.4-39.9000111.1F6 L7 E8 Q200 Q203P4-F6 VanDerWaalsContact C-N 3.27Å; P4-F6 PolarHBondContact O-N 2.72Å; P4-L7 HydrophobicContact CB-CB 3.95Å; P4-L7 HydrophobicContact CB-CD2 4.12Å; P4-L7 HydrophobicContact CG-CD2 4.25Å; P4-L7 WeakPolarHBondContact O-CB 3.41Å; P4-L7 PolarHBondContact O-N 2.99Å; P4-L7 VanDerWaalsContact O-N 3.1Å; P4-E8 PolarHBondContact O-N 3.01Å; P4-Q200 VanDerWaalsContact CB-OE1 3.24Å; P4-Q203 VanDerWaalsContact C-OE1 3.31Å
5Y95.6Very high90Very high121 Ų12196.5 Ų96.548%0.47548%0.477SS..Hα-helixtrans-57.1-35.3-176.4-63.7-64.7000113.4I2 T3 E8 N9I2-Y5 HydrophobicContact CG2-CD2 4.04Å; I2-Y5 HydrophobicContact CG2-CE2 3.68Å; T3-Y5 HydrophobicContact CG2-CD1 4.16Å; T3-Y5 HydrophobicContact CG2-CE1 3.88Å; T3-Y5 VanDerWaalsContact O-CD2 3.27Å; T3-Y5 WeakPolarHBondContact O-CD2 3.32Å; T3-Y5 PolarHBondContact O-N 3.17Å; T3-Y5 PolarHBondContact OG1-OH 2.81Å; Y5-E8 PolarHBondContact O-N 3.48Å; Y5-N9 WeakPolarHBondContact O-CB 3.47Å; Y5-N9 PolarHBondContact O-N 2.65Å; Y5-N9 VanDerWaalsContact O-N 3.11Å; Y5-N9 PolarHBondContact O-ND2 2.87Å
6F97.4Very high90.3Very high38 Ų3895.4 Ų95.417%0.16747%0.473CS..Hα-helixtrans-68.4-40.5177.7-74.412.2000111.1P4 E8 N9 F10 L21 S199 F202 Q203 E206P4-F6 VanDerWaalsContact C-N 3.27Å; P4-F6 PolarHBondContact O-N 2.72Å; F6-E8 VanDerWaalsContact C-N 3.28Å; F6-E8 PolarHBondContact O-N 3.47Å; F6-N9 PolarHBondContact O-N 2.73Å; F6-F10 HydrophobicContact CB-CD2 4.22Å; F6-F10 HydrophobicContact CB-CE2 4.48Å; F6-F10 HydrophobicContact CD1-CD2 4.36Å; F6-F10 AromaticContact CD1-CE2 3.76Å; F6-F10 HydrophobicContact CD1-CE2 3.76Å; F6-F10 HydrophobicContact CD1-CZ 4.47Å; F6-F10 HydrophobicContact CE1-CE2 4.27Å; F6-F10 HydrophobicContact CG-CD2 4.4Å; F6-F10 HydrophobicContact CG-CE2 4.2Å; F6-F10 WeakPolarHBondContact O-CD2 3.42Å; F6-F10 PolarHBondContact O-N 3.29Å; F6-L21 HydrophobicContact CB-CD1 4.32Å; F6-L21 HydrophobicContact CB-CD2 4.47Å; F6-L21 HydrophobicContact CD1-CD2 4.38Å; F6-L21 HydrophobicContact CD2-CD1 4.2Å; F6-L21 HydrophobicContact CD2-CD2 3.44Å; F6-L21 VanDerWaalsContact CD2-CD2 3.44Å; F6-L21 HydrophobicContact CD2-CG 4.44Å; F6-L21 HydrophobicContact CE2-CD2 3.62Å; F6-L21 HydrophobicContact CG-CD2 3.86Å; F6-L21 HydrophobicContact CZ-CD2 4.16Å; F6-S199 WeakPolarHBondContact CB-O 3.5Å; F6-F202 HydrophobicContact CD2-CB 4.12Å; F6-F202 HydrophobicContact CE2-CB 4.35Å; F6-Q203 HydrophobicContact CB-CB 4.04Å; F6-Q203 HydrophobicContact CB-CG 4.47Å; F6-Q203 HydrophobicContact CD1-CG 4.26Å; F6-Q203 VanDerWaalsContact CD2-CA 3.47Å; F6-Q203 HydrophobicContact CD2-CB 3.56Å; F6-Q203 HydrophobicContact CD2-CG 4.09Å; F6-Q203 VanDerWaalsContact CD2-N 3.35Å; F6-Q203 HydrophobicContact CE2-CB 4.11Å; F6-Q203 HydrophobicContact CE2-CG 4.4Å; F6-Q203 HydrophobicContact CG-CB 3.8Å; F6-Q203 HydrophobicContact CG-CG 4.02Å; F6-E206 HydrophobicContact CE2-CB 4.23Å; F6-E206 HydrophobicContact CZ-CB 4.25Å; F6-E206 HydrophobicContact CZ-CG 4.23Å
7L95.2Very high90.7Very high53 Ų5390.2 Ų90.228%0.27745%0.45SS..Hα-helixtrans-62.9-32.3173.1176.165.3000112.4P4 W11 A196P4-L7 HydrophobicContact CB-CB 3.95Å; P4-L7 HydrophobicContact CB-CD2 4.12Å; P4-L7 HydrophobicContact CG-CD2 4.25Å; P4-L7 WeakPolarHBondContact O-CB 3.41Å; P4-L7 PolarHBondContact O-N 2.99Å; P4-L7 VanDerWaalsContact O-N 3.1Å; L7-W11 HydrophobicContact CD1-CZ2 4Å; L7-W11 PolarHBondContact O-NE1 3.04Å; L7-A196 VanDerWaalsContact CD1-CA 3.4Å; L7-A196 HydrophobicContact CD1-CB 3.39Å
8E95.2Very high91.1Very high113 Ų11385.5 Ų85.553%0.52843%0.426SS..Hα-helixtrans-80.6-31.9-179.2-72.1178.9-18000113.4P4 Y5 F6P4-E8 PolarHBondContact O-N 3.01Å; Y5-E8 PolarHBondContact O-N 3.48Å; F6-E8 VanDerWaalsContact C-N 3.28Å; F6-E8 PolarHBondContact O-N 3.47Å
9N95.8Very high91.4Very high112 Ų11284.1 Ų84.160%0.59942%0.42SS*.Hα-helixtrans-110.7-21.2-164.2-68.2-89.4000115.6Y5 F6 W11Y5-N9 WeakPolarHBondContact O-CB 3.47Å; Y5-N9 PolarHBondContact O-N 2.65Å; Y5-N9 VanDerWaalsContact O-N 3.11Å; Y5-N9 PolarHBondContact O-ND2 2.87Å; F6-N9 PolarHBondContact O-N 2.73Å; N9-W11 VanDerWaalsContact C-N 3.27Å; N9-W11 PolarHBondContact O-N 3.37Å; N9-W11 VanDerWaalsContact O-N 3.14Å
10F97.1Very high91.7Very high56 Ų5683.9 Ų83.925%0.24642%0.423CS..SBendtrans-93.143.5-171.7-70-102.1000113.4F6 G17 V20 L21 M195F6-F10 HydrophobicContact CB-CD2 4.22Å; F6-F10 HydrophobicContact CB-CE2 4.48Å; F6-F10 HydrophobicContact CD1-CD2 4.36Å; F6-F10 AromaticContact CD1-CE2 3.76Å; F6-F10 HydrophobicContact CD1-CE2 3.76Å; F6-F10 HydrophobicContact CD1-CZ 4.47Å; F6-F10 HydrophobicContact CE1-CE2 4.27Å; F6-F10 HydrophobicContact CG-CD2 4.4Å; F6-F10 HydrophobicContact CG-CE2 4.2Å; F6-F10 WeakPolarHBondContact O-CD2 3.42Å; F6-F10 PolarHBondContact O-N 3.29Å; F10-G17 WeakPolarHBondContact O-CA 3.49Å; F10-V20 HydrophobicContact CD1-CB 4.39Å; F10-V20 HydrophobicContact CD1-CG1 4.34Å; F10-V20 HydrophobicContact CE1-CB 4.37Å; F10-V20 HydrophobicContact CE1-CG1 3.84Å; F10-L21 HydrophobicContact CB-CD1 3.97Å; F10-L21 HydrophobicContact CB-CG 4.28Å; F10-L21 HydrophobicContact CD1-CD1 4.18Å; F10-L21 HydrophobicContact CD1-CD2 3.54Å; F10-L21 HydrophobicContact CD1-CG 3.55Å; F10-L21 HydrophobicContact CD2-CD1 4.46Å; F10-L21 HydrophobicContact CD2-CD2 4.01Å; F10-L21 HydrophobicContact CD2-CG 4.46Å; F10-L21 HydrophobicContact CE1-CD2 3.43Å; F10-L21 VanDerWaalsContact CE1-CD2 3.43Å; F10-L21 HydrophobicContact CE1-CG 3.95Å; F10-L21 HydrophobicContact CE2-CD2 3.91Å; F10-L21 HydrophobicContact CG-CD1 3.94Å; F10-L21 HydrophobicContact CG-CD2 3.82Å; F10-L21 HydrophobicContact CG-CG 3.83Å; F10-L21 HydrophobicContact CZ-CD2 3.62Å; F10-M195 HydrophobicContact CB-CE 4.13Å; F10-M195 VanDerWaalsContact O-CE 3.24Å; F10-M195 WeakPolarHBondContact O-CE 3.48Å
11W95.4Very high92Very high101 Ų10180 Ų8038%0.38340%0.404SS..  trans-100.8-167.8171.3-56.7107.6000111.4L7 N9 F191 E192 M195L7-W11 HydrophobicContact CD1-CZ2 4Å; L7-W11 PolarHBondContact O-NE1 3.04Å; N9-W11 VanDerWaalsContact C-N 3.27Å; N9-W11 PolarHBondContact O-N 3.37Å; N9-W11 VanDerWaalsContact O-N 3.14Å; W11-F191 AromaticContact CE3-CE1 3.94Å; W11-F191 HydrophobicContact CE3-CE1 3.94Å; W11-F191 HydrophobicContact CE3-CZ 4.07Å; W11-F191 AromaticContact CZ3-CE1 3.76Å; W11-F191 HydrophobicContact CZ3-CE1 3.76Å; W11-F191 AromaticContact CZ3-CZ 3.97Å; W11-F191 HydrophobicContact CZ3-CZ 3.97Å; W11-E192 HydrophobicContact CZ3-CG 4.35Å; W11-M195 HydrophobicContact CE3-CG 4.22Å; W11-M195 HydrophobicContact CH2-CB 4.08Å; W11-M195 HydrophobicContact CH2-CG 4Å; W11-M195 HydrophobicContact CZ3-CB 3.82Å; W11-M195 HydrophobicContact CZ3-CG 3.6Å
12G92.3Very high94Very high48 Ų4870.5 Ų70.550%0.49536%0.356SS..  trans136.3158.9170.500000113.1K14 N15G12-K14 PolarHBondContact O-N 3.36Å; G12-N15 PolarHBondContact O-N 3.04Å
13E87.8Confident94.8Very high200 Ų20070.9 Ų70.994%0.93536%0.355SS*.THydrogen-bonded Turntrans-60.3-14.5-172.1-58.7-174.5152.800115.2
14K90.3Very high95.2Very high159 Ų15971.2 Ų71.269%0.69135%0.354SS*.THydrogen-bonded Turntrans-97.4-12.1178.5-53.7-179.5178.2179.20113.7G12 N16 Q130G12-K14 PolarHBondContact O-N 3.36Å; K14-N16 VanDerWaalsContact C-N 3.25Å; K14-N16 WeakPolarHBondContact CB-OD1 3.12Å; K14-N16 PolarHBondContact O-N 3.49Å; K14-N16 PolarHBondContact O-OD1 3.04Å; K14-Q130 PolarHBondContact O-NE2 3.2Å
15N94Very high95.4Very high20 Ų2069.6 Ų69.611%0.10734%0.344CS..  trans64.810-175.2-5593.6000116.8G12 G17 I129 Q130 F191G12-N15 PolarHBondContact O-N 3.04Å; N15-G17 PolarHBondContact O-N 3.21Å; N15-I129 HydrophobicContact CB-CG2 4.18Å; N15-Q130 HydrophobicContact CB-CG 4.2Å; N15-F191 HydrophobicContact CB-CE2 4.26Å; N15-F191 HydrophobicContact CB-CZ 4.2Å; N15-F191 WeakPolarHBondContact ND2-CE1 3.43Å; N15-F191 VanDerWaalsContact ND2-CZ 3.31Å; N15-F191 WeakPolarHBondContact ND2-CZ 3.49Å
16N94.3Very high95.3Very high78 Ų7866.8 Ų66.842%0.41733%0.334SS..THydrogen-bonded Turntrans-63.8-4.8-175.6-62.635.6000116.9K14 F18 D19 V20K14-N16 VanDerWaalsContact C-N 3.25Å; K14-N16 WeakPolarHBondContact CB-OD1 3.12Å; K14-N16 PolarHBondContact O-N 3.49Å; K14-N16 PolarHBondContact O-OD1 3.04Å; N16-F18 PolarHBondContact O-N 3.5Å; N16-D19 PolarHBondContact O-N 3.39Å; N16-D19 VanDerWaalsContact O-N 3.13Å; N16-V20 PolarHBondContact O-N 2.87Å
17G96.4Very high95.1Very high7 Ų769.5 Ų69.57%0.07235%0.347CS..Hα-helixtrans-59.4-34.3-170.300000113.8F10 N15 V20 L21 M195F10-G17 WeakPolarHBondContact O-CA 3.49Å; N15-G17 PolarHBondContact O-N 3.21Å; G17-V20 PolarHBondContact O-N 3.12Å; G17-L21 WeakPolarHBondContact O-CG 3.46Å; G17-L21 PolarHBondContact O-N 3.23Å; G17-L21 VanDerWaalsContact O-N 3.1Å; G17-M195 VanDerWaalsContact C-CE 3.47Å
18F97.9Very high95Very high6 Ų667.1 Ų67.13%0.02634%0.335CS..Hα-helixtrans-58.1-48.9175.3173.7-89000112.1N16 V20 L21 Y22 V119 T122 L123 V126 M195 T198 F202N16-F18 PolarHBondContact O-N 3.5Å; F18-V20 VanDerWaalsContact C-N 3.34Å; F18-V20 PolarHBondContact O-N 2.85Å; F18-L21 PolarHBondContact O-N 2.85Å; F18-Y22 WeakPolarHBondContact O-CB 3.35Å; F18-Y22 PolarHBondContact O-N 3.06Å; F18-V119 HydrophobicContact CE2-CB 4Å; F18-V119 HydrophobicContact CE2-CG2 3.7Å; F18-V119 HydrophobicContact CZ-CB 4.48Å; F18-V119 HydrophobicContact CZ-CG2 3.73Å; F18-T122 HydrophobicContact CD2-CG2 3.78Å; F18-T122 HydrophobicContact CE2-CG2 4.21Å; F18-L123 HydrophobicContact CD1-CB 4.48Å; F18-L123 HydrophobicContact CD1-CD1 4.04Å; F18-L123 HydrophobicContact CE1-CB 3.82Å; F18-L123 HydrophobicContact CE1-CD1 3.8Å; F18-L123 HydrophobicContact CE1-CD2 4.41Å; F18-L123 HydrophobicContact CE1-CG 4.21Å; F18-L123 HydrophobicContact CZ-CB 3.83Å; F18-V126 HydrophobicContact CB-CG2 3.84Å; F18-V126 HydrophobicContact CG-CG2 4.31Å; F18-M195 HydrophobicContact CB-CE 4.48Å; F18-M195 HydrophobicContact CB-SD 4.07Å; F18-T198 HydrophobicContact CD2-CG2 4.04Å; F18-T198 HydrophobicContact CE2-CG2 4.07Å; F18-F202 HydrophobicContact CD2-CE2 4.21Å; F18-F202 HydrophobicContact CE2-CE2 4.19Å; F18-F202 HydrophobicContact CE2-CZ 4.34Å
19D96.9Very high94.8Very high58 Ų5864 Ų6431%0.3132%0.321SS..Hα-helixtrans-65.3-41.2-176.2-54.6-66.3000110.7N16 Y22 H23N16-D19 PolarHBondContact O-N 3.39Å; N16-D19 VanDerWaalsContact O-N 3.13Å; D19-Y22 PolarHBondContact O-N 3.29Å; D19-H23 WeakPolarHBondContact O-CB 3.49Å; D19-H23 PolarHBondContact O-CD2 2.71Å; D19-H23 VanDerWaalsContact O-CD2 3.24Å; D19-H23 PolarHBondContact O-N 3.36Å
20V97.9Very high94.7Very high80 Ų8062.8 Ų62.849%0.48531%0.313SS..Hα-helixtrans-61.6-46.1177.2-177.10000111.1F10 N16 G17 F18 N24F10-V20 HydrophobicContact CD1-CB 4.39Å; F10-V20 HydrophobicContact CD1-CG1 4.34Å; F10-V20 HydrophobicContact CE1-CB 4.37Å; F10-V20 HydrophobicContact CE1-CG1 3.84Å; N16-V20 PolarHBondContact O-N 2.87Å; G17-V20 PolarHBondContact O-N 3.12Å; F18-V20 VanDerWaalsContact C-N 3.34Å; F18-V20 PolarHBondContact O-N 2.85Å; V20-N24 WeakPolarHBondContact O-CB 3.35Å; V20-N24 PolarHBondContact O-N 2.93Å
21L98.1Very high94.6Very high3 Ų362.8 Ų62.82%0.01632%0.32CS..Hα-helixtrans-68.2-42.4178.4-69.1-179.8000112.6F6 F10 G17 F18 H23 N24 M25 M195 F202F6-L21 HydrophobicContact CB-CD1 4.32Å; F6-L21 HydrophobicContact CB-CD2 4.47Å; F6-L21 HydrophobicContact CD1-CD2 4.38Å; F6-L21 HydrophobicContact CD2-CD1 4.2Å; F6-L21 HydrophobicContact CD2-CD2 3.44Å; F6-L21 VanDerWaalsContact CD2-CD2 3.44Å; F6-L21 HydrophobicContact CD2-CG 4.44Å; F6-L21 HydrophobicContact CE2-CD2 3.62Å; F6-L21 HydrophobicContact CG-CD2 3.86Å; F6-L21 HydrophobicContact CZ-CD2 4.16Å; F10-L21 HydrophobicContact CB-CD1 3.97Å; F10-L21 HydrophobicContact CB-CG 4.28Å; F10-L21 HydrophobicContact CD1-CD1 4.18Å; F10-L21 HydrophobicContact CD1-CD2 3.54Å; F10-L21 HydrophobicContact CD1-CG 3.55Å; F10-L21 HydrophobicContact CD2-CD1 4.46Å; F10-L21 HydrophobicContact CD2-CD2 4.01Å; F10-L21 HydrophobicContact CD2-CG 4.46Å; F10-L21 HydrophobicContact CE1-CD2 3.43Å; F10-L21 VanDerWaalsContact CE1-CD2 3.43Å; F10-L21 HydrophobicContact CE1-CG 3.95Å; F10-L21 HydrophobicContact CE2-CD2 3.91Å; F10-L21 HydrophobicContact CG-CD1 3.94Å; F10-L21 HydrophobicContact CG-CD2 3.82Å; F10-L21 HydrophobicContact CG-CG 3.83Å; F10-L21 HydrophobicContact CZ-CD2 3.62Å; G17-L21 WeakPolarHBondContact O-CG 3.46Å; G17-L21 PolarHBondContact O-N 3.23Å; G17-L21 VanDerWaalsContact O-N 3.1Å; F18-L21 PolarHBondContact O-N 2.85Å; L21-H23 VanDerWaalsContact C-N 3.33Å; L21-H23 PolarHBondContact O-N 2.74Å; L21-N24 PolarHBondContact O-N 3.26Å; L21-M25 PolarHBondContact O-N 3.34Å; L21-M195 HydrophobicContact CD1-CE 4.37Å; L21-F202 HydrophobicContact CB-CB 4.17Å; L21-F202 HydrophobicContact CB-CD2 3.44Å; L21-F202 VanDerWaalsContact CB-CD2 3.44Å; L21-F202 HydrophobicContact CB-CE2 3.89Å; L21-F202 HydrophobicContact CB-CG 3.89Å; L21-F202 HydrophobicContact CD1-CB 4.34Å; L21-F202 HydrophobicContact CD1-CD2 3.96Å; L21-F202 HydrophobicContact CG-CD2 4.34Å
22Y97.4Very high94.6Very high36 Ų3658 Ų5814%0.14130%0.302CS..Hα-helixtrans-62.6-40177176.8-99.3000111.9F18 D19 M25 K26 K116 F202F18-Y22 WeakPolarHBondContact O-CB 3.35Å; F18-Y22 PolarHBondContact O-N 3.06Å; D19-Y22 PolarHBondContact O-N 3.29Å; Y22-M25 HydrophobicContact CD2-CE 3.78Å; Y22-M25 HydrophobicContact CE2-CE 3.74Å; Y22-K26 HydrophobicContact CE1-CG 4.42Å; Y22-K26 WeakPolarHBondContact O-CG 3.47Å; Y22-K26 PolarHBondContact O-N 3.34Å; Y22-K26 VanDerWaalsContact OH-CE 3.29Å; Y22-K26 WeakPolarHBondContact OH-CE 3.35Å; Y22-K116 HydrophobicContact CE2-CB 4.06Å; Y22-K116 HydrophobicContact CE2-CG 3.98Å; Y22-K116 WeakPolarHBondContact OH-CD 3.45Å; Y22-F202 HydrophobicContact CD2-CE1 4.27Å; Y22-F202 HydrophobicContact CD2-CZ 4.06Å; Y22-F202 HydrophobicContact CG-CZ 4.41Å
23H95.8Very high94.7Very high100 Ų10061.7 Ų61.746%0.46330%0.304SS..Hα-helixtrans-71.9-35.2173.6-82.5-90.1000112.7D19 L21 M25 K26 H27D19-H23 WeakPolarHBondContact O-CB 3.49Å; D19-H23 PolarHBondContact O-CD2 2.71Å; D19-H23 VanDerWaalsContact O-CD2 3.24Å; D19-H23 PolarHBondContact O-N 3.36Å; L21-H23 VanDerWaalsContact C-N 3.33Å; L21-H23 PolarHBondContact O-N 2.74Å; H23-M25 PolarHBondContact O-N 2.77Å; H23-K26 WeakPolarHBondContact O-CA 3.39Å; H23-K26 WeakPolarHBondContact O-CB 3.34Å; H23-K26 PolarHBondContact O-N 2.77Å; H23-K26 VanDerWaalsContact O-N 3.1Å; H23-H27 PolarHBondContact O-CD2 3.02Å; H23-H27 PolarHBondContact O-N 3.47Å; H23-H27 PolarHBondContact O-ND1 2.9Å
24N96.9Very high95.1Very high67 Ų6758.2 Ų58.236%0.35829%0.288SS..Hα-helixtrans-58.5-48.8172.8-164.286.1000111.7V20 L21 K26 H27 G28 E206V20-N24 WeakPolarHBondContact O-CB 3.35Å; V20-N24 PolarHBondContact O-N 2.93Å; L21-N24 PolarHBondContact O-N 3.26Å; N24-K26 PolarHBondContact O-N 3.41Å; N24-H27 WeakPolarHBondContact O-CA 3.47Å; N24-H27 WeakPolarHBondContact O-CB 3.46Å; N24-H27 PolarHBondContact O-N 3.19Å; N24-G28 PolarHBondContact O-N 2.92Å; N24-E206 VanDerWaalsContact ND2-CD 3.33Å; N24-E206 PolarHBondContact ND2-OE2 2.91Å
25M96.3Very high95.4Very high5 Ų552 Ų523%0.02526%0.262CS..Hα-helixtrans-53-43.3173.5179-166.76700111L21 Y22 H23 H27 G28 H112 T115 F202 I205L21-M25 PolarHBondContact O-N 3.34Å; Y22-M25 HydrophobicContact CD2-CE 3.78Å; Y22-M25 HydrophobicContact CE2-CE 3.74Å; H23-M25 PolarHBondContact O-N 2.77Å; M25-H27 PolarHBondContact O-N 2.99Å; M25-G28 PolarHBondContact O-N 3.42Å; M25-H112 HydrophobicContact CE-CB 4.18Å; M25-H112 WeakPolarHBondContact CG-NE2 3.35Å; M25-H112 PolarHBondContact O-CE1 3.4Å; M25-T115 HydrophobicContact CE-CG2 4.42Å; M25-T115 HydrophobicContact SD-CG2 3.76Å; M25-F202 HydrophobicContact CB-CD1 4.28Å; M25-F202 HydrophobicContact CB-CE1 4.4Å; M25-F202 HydrophobicContact CE-CE1 4.22Å; M25-F202 HydrophobicContact SD-CD1 4.18Å; M25-F202 HydrophobicContact SD-CE1 3.92Å; M25-I205 HydrophobicContact CG-CG2 4.02Å; M25-I205 HydrophobicContact SD-CD1 4.23Å; M25-I205 HydrophobicContact SD-CG2 4.35Å
26K93.7Very high95.5Very high63 Ų6351.2 Ų51.227%0.27426%0.258SS..Hα-helixtrans-63.5-38.2175.4-69.7-61.8-173-178.70113.2Y22 H23 N24 G28 Q29Y22-K26 HydrophobicContact CE1-CG 4.42Å; Y22-K26 WeakPolarHBondContact O-CG 3.47Å; Y22-K26 PolarHBondContact O-N 3.34Å; Y22-K26 VanDerWaalsContact OH-CE 3.29Å; Y22-K26 WeakPolarHBondContact OH-CE 3.35Å; H23-K26 WeakPolarHBondContact O-CA 3.39Å; H23-K26 WeakPolarHBondContact O-CB 3.34Å; H23-K26 PolarHBondContact O-N 2.77Å; H23-K26 VanDerWaalsContact O-N 3.1Å; N24-K26 PolarHBondContact O-N 3.41Å; K26-G28 PolarHBondContact O-N 3.14Å; K26-Q29 PolarHBondContact O-N 3.43Å
27H93.1Very high95.6Very high94 Ų9449.9 Ų49.944%0.43525%0.251SS..Hα-helixtrans-65.1-24.6177.3-57.8151.3000113.1H23 N24 M25 Q29 I30 S31H23-H27 PolarHBondContact O-CD2 3.02Å; H23-H27 PolarHBondContact O-N 3.47Å; H23-H27 PolarHBondContact O-ND1 2.9Å; N24-H27 WeakPolarHBondContact O-CA 3.47Å; N24-H27 WeakPolarHBondContact O-CB 3.46Å; N24-H27 PolarHBondContact O-N 3.19Å; M25-H27 PolarHBondContact O-N 2.99Å; H27-Q29 PolarHBondContact O-N 2.99Å; H27-Q29 VanDerWaalsContact O-N 3.07Å; H27-I30 HydrophobicContact CB-CD1 4.4Å; H27-I30 WeakPolarHBondContact O-CA 3.17Å; H27-I30 VanDerWaalsContact O-CB 3.25Å; H27-I30 WeakPolarHBondContact O-CB 3.22Å; H27-I30 PolarHBondContact O-N 2.99Å; H27-S31 PolarHBondContact O-N 2.83Å
28G92.7Very high95.7Very high3 Ų355.5 Ų55.53%0.03127%0.274CS..Hα-helixtrans-55.8-24.5172.100000114.5N24 M25 K26 I30 S32 Q108 H209N24-G28 PolarHBondContact O-N 2.92Å; M25-G28 PolarHBondContact O-N 3.42Å; K26-G28 PolarHBondContact O-N 3.14Å; G28-I30 VanDerWaalsContact C-N 3.33Å; G28-S32 PolarHBondContact O-N 2.95Å; G28-S32 PolarHBondContact O-OG 3.27Å; G28-S32 VanDerWaalsContact O-OG 3.04Å; G28-Q108 VanDerWaalsContact C-NE2 3.28Å; G28-Q108 PolarHBondContact O-NE2 2.9Å; G28-H209 WeakPolarHBondContact CA-NE2 3.34Å; G28-H209 PolarHBondContact O-CE1 2.95Å; G28-H209 VanDerWaalsContact O-CE1 3.22Å; G28-H209 PolarHBondContact O-NE2 3.05Å
29Q91.6Very high95.7Very high49 Ų4955.2 Ų55.223%0.22927%0.273CS..Hα-helixtrans-73.9-24173.6-58.1-166.9-103.300113.2K26 H27 K33 Q108 H112K26-Q29 PolarHBondContact O-N 3.43Å; H27-Q29 PolarHBondContact O-N 2.99Å; H27-Q29 VanDerWaalsContact O-N 3.07Å; Q29-K33 PolarHBondContact O-N 2.89Å; Q29-Q108 HydrophobicContact CG-CG 4.02Å; Q29-H112 WeakPolarHBondContact CG-ND1 3.49Å; Q29-H112 PolarHBondContact OE1-ND1 3.07Å
30I93.6Very high95.8Very high86 Ų8656.7 Ų56.744%0.44127%0.274SS..Hα-helixtrans-70.7-49.8174.6-54.2174.3000108.3H27 G28 S32 K33 E34H27-I30 HydrophobicContact CB-CD1 4.4Å; H27-I30 WeakPolarHBondContact O-CA 3.17Å; H27-I30 VanDerWaalsContact O-CB 3.25Å; H27-I30 WeakPolarHBondContact O-CB 3.22Å; H27-I30 PolarHBondContact O-N 2.99Å; G28-I30 VanDerWaalsContact C-N 3.33Å; I30-S32 VanDerWaalsContact C-N 3.33Å; I30-S32 PolarHBondContact O-N 3.42Å; I30-K33 WeakPolarHBondContact O-CA 3.42Å; I30-K33 WeakPolarHBondContact O-CB 3.41Å; I30-K33 PolarHBondContact O-N 2.89Å; I30-E34 HydrophobicContact CG2-CG 4.2Å; I30-E34 WeakPolarHBondContact O-CG 3.44Å; I30-E34 PolarHBondContact O-N 3.13Å
31S94.7Very high95.8Very high55 Ų5558.4 Ų58.439%0.38528%0.276SS..Hα-helixtrans-52.7-47.2176.1-47.60000112.7H27 K33 E34 L35 M213H27-S31 PolarHBondContact O-N 2.83Å; S31-K33 VanDerWaalsContact C-N 3.34Å; S31-K33 PolarHBondContact O-N 3.43Å; S31-E34 PolarHBondContact O-N 2.89Å; S31-L35 WeakPolarHBondContact O-CB 3.48Å; S31-L35 PolarHBondContact O-N 3.47Å; S31-M213 WeakPolarHBondContact O-CE 3.21Å
32S94.8Very high95.8Very high0 Ų061.1 Ų61.10%029%0.287CS..Hα-helixtrans-60.9-40176.1-55.60000112.5G28 I30 T36 V101 V105 Q108 H209G28-S32 PolarHBondContact O-N 2.95Å; G28-S32 PolarHBondContact O-OG 3.27Å; G28-S32 VanDerWaalsContact O-OG 3.04Å; I30-S32 VanDerWaalsContact C-N 3.33Å; I30-S32 PolarHBondContact O-N 3.42Å; S32-T36 PolarHBondContact O-N 3.08Å; S32-T36 VanDerWaalsContact O-N 3.15Å; S32-T36 PolarHBondContact O-OG1 3.38Å; S32-V101 WeakPolarHBondContact O-CG1 3.31Å; S32-V105 VanDerWaalsContact CB-CG2 3.44Å; S32-Q108 PolarHBondContact OG-OE1 3.25Å; S32-H209 PolarHBondContact OG-CE1 2.75Å
33K93.8Very high95.9Very high126 Ų12659.6 Ų59.655%0.54828%0.281SS..Hα-helixtrans-70.9-46.2178.1-172.6-170.7169.9-165.70112Q29 I30 S31 L35 T36 D37Q29-K33 PolarHBondContact O-N 2.89Å; I30-K33 WeakPolarHBondContact O-CA 3.42Å; I30-K33 WeakPolarHBondContact O-CB 3.41Å; I30-K33 PolarHBondContact O-N 2.89Å; S31-K33 VanDerWaalsContact C-N 3.34Å; S31-K33 PolarHBondContact O-N 3.43Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-L35 PolarHBondContact O-N 3.04Å; K33-T36 CarbonylContact O-C 3.6Å; K33-T36 WeakPolarHBondContact O-CA 3.39Å; K33-T36 VanDerWaalsContact O-CB 3.24Å; K33-T36 WeakPolarHBondContact O-CB 3.5Å; K33-T36 PolarHBondContact O-N 2.97Å; K33-D37 WeakPolarHBondContact CE-OD2 3.41Å; K33-D37 PolarHBondContact O-N 3.26Å
34E96.1Very high96Very high127 Ų12758.6 Ų58.659%0.59328%0.282SS*.Hα-helixtrans-60.8-37.4179-71.1179169.300111.7I30 S31 D37 F38I30-E34 HydrophobicContact CG2-CG 4.2Å; I30-E34 WeakPolarHBondContact O-CG 3.44Å; I30-E34 PolarHBondContact O-N 3.13Å; S31-E34 PolarHBondContact O-N 2.89Å; E34-D37 PolarHBondContact O-N 3.32Å; E34-F38 WeakPolarHBondContact O-CB 3.41Å; E34-F38 PolarHBondContact O-N 3.08Å
35L96.8Very high96Very high28 Ų2860.7 Ų60.715%0.14729%0.292CS..Hα-helixtrans-63.5-42.2170.4-179.460.1000112.2S31 K33 D37 F38 I39 M213 I216 I217S31-L35 WeakPolarHBondContact O-CB 3.48Å; S31-L35 PolarHBondContact O-N 3.47Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-L35 PolarHBondContact O-N 3.04Å; L35-D37 VanDerWaalsContact C-N 3.29Å; L35-D37 PolarHBondContact O-N 2.65Å; L35-F38 PolarHBondContact O-N 3.41Å; L35-I39 HydrophobicContact CD1-CD1 3.89Å; L35-I39 HydrophobicContact CD1-CG1 4.16Å; L35-I39 HydrophobicContact CG-CD1 3.89Å; L35-I39 VanDerWaalsContact O-CG1 3.26Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 2.87Å; L35-M213 HydrophobicContact CB-CE 3.95Å; L35-M213 HydrophobicContact CD2-CE 3.55Å; L35-M213 HydrophobicContact CD2-SD 4.02Å; L35-M213 HydrophobicContact CG-CE 4.41Å; L35-I216 HydrophobicContact CD2-CG2 3.84Å; L35-I217 HydrophobicContact CD1-CG1 4.37Å; L35-I217 HydrophobicContact CD2-CD1 4.49Å; L35-I217 HydrophobicContact CD2-CG1 4.16Å
36T97.2Very high96.1Very high4 Ų461.2 Ų61.23%0.02529%0.294CS..Hα-helixtrans-59.8-41.8175.3-49.10000111.4S32 K33 R40 I98 V101 Q102S32-T36 PolarHBondContact O-N 3.08Å; S32-T36 VanDerWaalsContact O-N 3.15Å; S32-T36 PolarHBondContact O-OG1 3.38Å; K33-T36 CarbonylContact O-C 3.6Å; K33-T36 WeakPolarHBondContact O-CA 3.39Å; K33-T36 VanDerWaalsContact O-CB 3.24Å; K33-T36 WeakPolarHBondContact O-CB 3.5Å; K33-T36 PolarHBondContact O-N 2.97Å; T36-R40 PolarHBondContact O-N 3.11Å; T36-I98 HydrophobicContact CG2-CG2 3.94Å; T36-V101 WeakPolarHBondContact OG1-CG1 3.14Å; T36-Q102 HydrophobicContact CG2-CG 3.96Å
37D96.6Very high96.3Very high51 Ų5160.5 Ų60.527%0.27329%0.292SS..Hα-helixtrans-71.6-40.3-178.7-66-20.7000111.1K33 E34 L35 R40 E41K33-D37 WeakPolarHBondContact CE-OD2 3.41Å; K33-D37 PolarHBondContact O-N 3.26Å; E34-D37 PolarHBondContact O-N 3.32Å; L35-D37 VanDerWaalsContact C-N 3.29Å; L35-D37 PolarHBondContact O-N 2.65Å; D37-R40 WeakPolarHBondContact O-CB 3.42Å; D37-R40 PolarHBondContact O-N 2.63Å; D37-R40 IonicContact OD1-CZ 2.7Å; D37-R40 IonicContact OD1-NH1 3.59Å; D37-R40 PolarHBondContact OD1-NH1 3.07Å; D37-R40 IonicContact OD1-NH2 2.7Å; D37-R40 PolarHBondContact OD1-NH2 2.95Å; D37-E41 PolarHBondContact O-N 3.22Å; D37-E41 VanDerWaalsContact O-N 3.09Å
38F98.4Very high96.5Very high124 Ų12458.6 Ų58.654%0.54429%0.293SS..Hα-helixtrans-60.4-46.6172.6176.2-93.8000113.2E34 L35 R40 E41 R42E34-F38 WeakPolarHBondContact O-CB 3.41Å; E34-F38 PolarHBondContact O-N 3.08Å; L35-F38 PolarHBondContact O-N 3.41Å; F38-R40 PolarHBondContact O-N 3.27Å; F38-E41 PolarHBondContact O-N 3.49Å; F38-R42 PolarHBondContact O-N 2.89Å
39I98.2Very high96.8Very high1 Ų163.6 Ų63.61%0.00531%0.311CS..Hα-helixtrans-64.4-32.4178.9-62.7165000110.3L35 R42 S43 L94 L97 I98 V101 Y220L35-I39 HydrophobicContact CD1-CD1 3.89Å; L35-I39 HydrophobicContact CD1-CG1 4.16Å; L35-I39 HydrophobicContact CG-CD1 3.89Å; L35-I39 VanDerWaalsContact O-CG1 3.26Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 2.87Å; I39-R42 PolarHBondContact O-N 2.56Å; I39-S43 WeakPolarHBondContact O-CB 3.43Å; I39-S43 PolarHBondContact O-N 2.91Å; I39-L94 HydrophobicContact CG2-CB 4.14Å; I39-L94 HydrophobicContact CG2-CD2 4.1Å; I39-L97 HydrophobicContact CD1-CD2 4.04Å; I39-L97 HydrophobicContact CD1-CG 4.37Å; I39-I98 HydrophobicContact CB-CD1 4.47Å; I39-I98 HydrophobicContact CB-CG1 4.04Å; I39-I98 HydrophobicContact CG2-CD1 4.01Å; I39-I98 HydrophobicContact CG2-CG1 3.66Å; I39-V101 HydrophobicContact CD1-CG2 4.2Å; I39-Y220 HydrophobicContact CG1-CD2 4.35Å
40R98.3Very high97.1Very high88 Ų8861.2 Ų61.233%0.33230%0.3SS..Hα-helixtrans-66.3-47.4175.3-162.2-176-49.2105.210.7112.4T36 D37 F38 R42 S43 V44 I98T36-R40 PolarHBondContact O-N 3.11Å; D37-R40 WeakPolarHBondContact O-CB 3.42Å; D37-R40 PolarHBondContact O-N 2.63Å; D37-R40 IonicContact OD1-CZ 2.7Å; D37-R40 IonicContact OD1-NH1 3.59Å; D37-R40 PolarHBondContact OD1-NH1 3.07Å; D37-R40 IonicContact OD1-NH2 2.7Å; D37-R40 PolarHBondContact OD1-NH2 2.95Å; F38-R40 PolarHBondContact O-N 3.27Å; R40-R42 VanDerWaalsContact C-N 3.33Å; R40-R42 PolarHBondContact O-N 3.4Å; R40-S43 WeakPolarHBondContact O-CB 3.5Å; R40-S43 PolarHBondContact O-N 3.42Å; R40-S43 VanDerWaalsContact O-N 3.12Å; R40-V44 WeakPolarHBondContact O-CG2 3.16Å; R40-V44 PolarHBondContact O-N 2.96Å; R40-I98 HydrophobicContact CB-CD1 3.92Å; R40-I98 HydrophobicContact CG-CD1 4.26Å
41E98.3Very high97.3Very high116 Ų11663.8 Ų63.854%0.54230%0.304SS..Hα-helixtrans-61.6-41.3175.8-66.5-54.713800111.5D37 F38 S43 V44 I45D37-E41 PolarHBondContact O-N 3.22Å; D37-E41 VanDerWaalsContact O-N 3.09Å; F38-E41 PolarHBondContact O-N 3.49Å; E41-S43 VanDerWaalsContact C-N 3.33Å; E41-S43 PolarHBondContact O-N 2.74Å; E41-V44 PolarHBondContact O-N 3.2Å; E41-I45 WeakPolarHBondContact O-CG1 3.45Å; E41-I45 PolarHBondContact O-N 2.92Å
42R98.1Very high97.5Very high61 Ų6164.3 Ų64.323%0.2331%0.308CS..Hα-helixtrans-57.8-45.7171.6179.665.3-169.8-81.26111.5F38 I39 R40 V44 I45 E46 L94 Y220F38-R42 PolarHBondContact O-N 2.89Å; I39-R42 PolarHBondContact O-N 2.56Å; R40-R42 VanDerWaalsContact C-N 3.33Å; R40-R42 PolarHBondContact O-N 3.4Å; R42-V44 VanDerWaalsContact C-N 3.32Å; R42-V44 PolarHBondContact O-N 2.62Å; R42-I45 PolarHBondContact O-N 3.34Å; R42-E46 IonicContact CZ-OE1 3.97Å; R42-E46 IonicContact NE-OE1 3.12Å; R42-E46 PolarHBondContact NE-OE1 2.9Å; R42-E46 IonicContact NH2-OE1 2.87Å; R42-E46 PolarHBondContact NH2-OE1 3.49Å; R42-E46 WeakPolarHBondContact O-CG 3.38Å; R42-E46 PolarHBondContact O-N 3.13Å; R42-L94 HydrophobicContact CG-CD1 3.85Å; R42-Y220 HydrophobicContact CG-CE2 4.25Å; R42-Y220 PolarHBondContact NH1-OH 3.17Å
43S98.2Very high97.6Very high4 Ų465.6 Ų65.63%0.02831%0.314CS..Hα-helixtrans-61.3-36.9177.4-1760000112.9I39 R40 E41 E47I39-S43 WeakPolarHBondContact O-CB 3.43Å; I39-S43 PolarHBondContact O-N 2.91Å; R40-S43 WeakPolarHBondContact O-CB 3.5Å; R40-S43 PolarHBondContact O-N 3.42Å; R40-S43 VanDerWaalsContact O-N 3.12Å; E41-S43 VanDerWaalsContact C-N 3.33Å; E41-S43 PolarHBondContact O-N 2.74Å; S43-E47 WeakPolarHBondContact O-CB 3.46Å; S43-E47 PolarHBondContact O-N 3.42Å
44V98.3Very high97.8Very high79 Ų7962.3 Ų62.348%0.47931%0.305SS..Hα-helixtrans-68-39.6177.51710000111.2R40 E41 R42 E47 A48R40-V44 WeakPolarHBondContact O-CG2 3.16Å; R40-V44 PolarHBondContact O-N 2.96Å; E41-V44 PolarHBondContact O-N 3.2Å; R42-V44 VanDerWaalsContact C-N 3.32Å; R42-V44 PolarHBondContact O-N 2.62Å; V44-E47 PolarHBondContact O-N 2.71Å; V44-A48 WeakPolarHBondContact O-CB 3.44Å; V44-A48 PolarHBondContact O-N 3.44Å
45I98.2Very high97.9Very high110 Ų11063.3 Ų63.356%0.56431%0.308SS*.Hα-helixtrans-63.6-48.5176.3-65.7164000110.9E41 R42 E47 A48 Y49E41-I45 WeakPolarHBondContact O-CG1 3.45Å; E41-I45 PolarHBondContact O-N 2.92Å; R42-I45 PolarHBondContact O-N 3.34Å; I45-E47 VanDerWaalsContact C-N 3.32Å; I45-E47 PolarHBondContact O-N 3.35Å; I45-A48 PolarHBondContact O-N 2.86Å; I45-Y49 PolarHBondContact O-N 3.41Å
46E97.7Very high97.9Very high17 Ų1766.4 Ų66.48%0.07932%0.323CS..Hα-helixtrans-61.7-39.1177.2-65.6-60.4157.800112R42 Y49 A50 H87 L90 V91 L94R42-E46 IonicContact CZ-OE1 3.97Å; R42-E46 IonicContact NE-OE1 3.12Å; R42-E46 PolarHBondContact NE-OE1 2.9Å; R42-E46 IonicContact NH2-OE1 2.87Å; R42-E46 PolarHBondContact NH2-OE1 3.49Å; R42-E46 WeakPolarHBondContact O-CG 3.38Å; R42-E46 PolarHBondContact O-N 3.13Å; E46-Y49 PolarHBondContact O-N 3.08Å; E46-A50 WeakPolarHBondContact O-CB 3.41Å; E46-A50 PolarHBondContact O-N 2.72Å; E46-H87 IonicContact OE2-CE1 2.76Å; E46-H87 IonicContact OE2-CG 3.12Å; E46-H87 IonicContact OE2-ND1 2.89Å; E46-H87 PolarHBondContact OE2-ND1 3.38Å; E46-L90 HydrophobicContact CG-CD2 4Å; E46-L90 HydrophobicContact CG-CG 4.47Å; E46-V91 HydrophobicContact CB-CG2 3.63Å; E46-L94 HydrophobicContact CG-CD1 4.34Å
47E98.1Very high98Very high48 Ų4866.2 Ų66.222%0.22432%0.322CS..Hα-helixtrans-67.3-40.3177.6-162.6-171.8139.900111.9S43 V44 I45 Y49 R51 M88 V91S43-E47 WeakPolarHBondContact O-CB 3.46Å; S43-E47 PolarHBondContact O-N 3.42Å; V44-E47 PolarHBondContact O-N 2.71Å; I45-E47 VanDerWaalsContact C-N 3.32Å; I45-E47 PolarHBondContact O-N 3.35Å; E47-Y49 VanDerWaalsContact C-N 3.34Å; E47-R51 HydrophobicContact CG-CG 4.48Å; E47-R51 VanDerWaalsContact O-CB 3.29Å; E47-R51 WeakPolarHBondContact O-CB 3.47Å; E47-R51 WeakPolarHBondContact O-CG 3.37Å; E47-R51 PolarHBondContact O-N 2.94Å; E47-R51 IonicContact OE1-CZ 2.76Å; E47-R51 IonicContact OE1-NE 3.47Å; E47-R51 PolarHBondContact OE1-NE 3.27Å; E47-R51 IonicContact OE1-NH2 3.74Å; E47-R51 PolarHBondContact OE1-NH2 3.09Å; E47-M88 HydrophobicContact CG-CE 4.02Å; E47-V91 HydrophobicContact CB-CG1 4.27Å; E47-V91 HydrophobicContact CB-CG2 3.83Å; E47-V91 HydrophobicContact CG-CG1 4.34Å; E47-V91 HydrophobicContact CG-CG2 4.46Å
48A97.6Very high98Very high54 Ų5470.2 Ų70.245%0.44634%0.337SS..Hα-helixtrans-63.9-39.3175.100000112V44 I45 S52V44-A48 WeakPolarHBondContact O-CB 3.44Å; V44-A48 PolarHBondContact O-N 3.44Å; I45-A48 PolarHBondContact O-N 2.86Å; A48-S52 WeakPolarHBondContact O-CB 3.23Å; A48-S52 PolarHBondContact O-N 3Å; A48-S52 VanDerWaalsContact O-N 3.13Å; A48-S52 PolarHBondContact O-OG 3.43Å
49Y98.1Very high97.9Very high107 Ų10766.8 Ų66.842%0.4233%0.329SS..Hα-helixtrans-65.5-53.6174.4-174.3-96.2000111.4I45 E46 E47 R51 S52 M53 H87I45-Y49 PolarHBondContact O-N 3.41Å; E46-Y49 PolarHBondContact O-N 3.08Å; E47-Y49 VanDerWaalsContact C-N 3.34Å; Y49-R51 PolarHBondContact O-N 2.86Å; Y49-S52 WeakPolarHBondContact O-CA 3.34Å; Y49-S52 WeakPolarHBondContact O-CB 3.41Å; Y49-S52 PolarHBondContact O-N 2.98Å; Y49-M53 HydrophobicContact CD1-CG 4.06Å; Y49-M53 HydrophobicContact CE1-CG 3.7Å; Y49-M53 HydrophobicContact CE1-SD 4.43Å; Y49-M53 WeakPolarHBondContact O-CG 3.46Å; Y49-M53 PolarHBondContact O-N 3.4Å; Y49-H87 HydrophobicContact CD1-CB 4.34Å; Y49-H87 AromaticContact CD1-CD2 3.76Å; Y49-H87 AromaticContact CD1-CE1 3.68Å; Y49-H87 AromaticContact CD1-CG 3.69Å; Y49-H87 AromaticContact CD1-ND1 3.63Å; Y49-H87 AromaticContact CD1-NE2 3.76Å; Y49-H87 AromaticContact CE1-CD2 3.6Å; Y49-H87 AromaticContact CE1-CE1 3.62Å; Y49-H87 AromaticContact CE1-NE2 3.32Å; Y49-H87 VanDerWaalsContact CE1-NE2 3.32Å; Y49-H87 WeakPolarHBondContact CE1-NE2 3.46Å
50A98.3Very high97.7Very high0 Ų067 Ų670%033%0.331CS..Hα-helixtrans-54.6-47.6177.700000112.3E46 S52 M53 T54 H87 M88E46-A50 WeakPolarHBondContact O-CB 3.41Å; E46-A50 PolarHBondContact O-N 2.72Å; A50-S52 VanDerWaalsContact C-N 3.26Å; A50-S52 PolarHBondContact O-N 3.36Å; A50-M53 PolarHBondContact O-N 3.11Å; A50-T54 PolarHBondContact O-N 2.99Å; A50-T54 PolarHBondContact O-OG1 3.03Å; A50-H87 HydrophobicContact CB-CB 3.81Å; A50-M88 HydrophobicContact CB-CB 4.19Å; A50-M88 HydrophobicContact CB-CE 3.86Å
51R97.6Very high97.3Very high139 Ų13964.2 Ų64.253%0.52533%0.33SS..Hα-helixtrans-63-30.3176.5-73.1176.5-178.3-79.83.1113E47 Y49 K55 M88E47-R51 HydrophobicContact CG-CG 4.48Å; E47-R51 VanDerWaalsContact O-CB 3.29Å; E47-R51 WeakPolarHBondContact O-CB 3.47Å; E47-R51 WeakPolarHBondContact O-CG 3.37Å; E47-R51 PolarHBondContact O-N 2.94Å; E47-R51 IonicContact OE1-CZ 2.76Å; E47-R51 IonicContact OE1-NE 3.47Å; E47-R51 PolarHBondContact OE1-NE 3.27Å; E47-R51 IonicContact OE1-NH2 3.74Å; E47-R51 PolarHBondContact OE1-NH2 3.09Å; Y49-R51 PolarHBondContact O-N 2.86Å; R51-K55 WeakPolarHBondContact O-CG 3.48Å; R51-K55 PolarHBondContact O-N 2.64Å; R51-M88 HydrophobicContact CG-CE 4.28Å
52S98.2Very high97.1Very high67 Ų6765.4 Ų65.447%0.46934%0.34SS..Hα-helixtrans-75.8-40.7176.8-59.60000111.5A48 Y49 A50 T54 K55 L56A48-S52 WeakPolarHBondContact O-CB 3.23Å; A48-S52 PolarHBondContact O-N 3Å; A48-S52 VanDerWaalsContact O-N 3.13Å; A48-S52 PolarHBondContact O-OG 3.43Å; Y49-S52 WeakPolarHBondContact O-CA 3.34Å; Y49-S52 WeakPolarHBondContact O-CB 3.41Å; Y49-S52 PolarHBondContact O-N 2.98Å; A50-S52 VanDerWaalsContact C-N 3.26Å; A50-S52 PolarHBondContact O-N 3.36Å; S52-T54 PolarHBondContact O-N 3.18Å; S52-K55 WeakPolarHBondContact O-CB 3.43Å; S52-K55 PolarHBondContact O-N 3.08Å; S52-K55 VanDerWaalsContact O-N 3.09Å; S52-L56 PolarHBondContact O-N 3.12Å
53M98.1Very high97Very high26 Ų2666.4 Ų66.413%0.12835%0.346CS..Hα-helixtrans-62-40.5171.7-65.5-62-82.900111.8Y49 A50 K55 L56 A57 T80 L83 A84Y49-M53 HydrophobicContact CD1-CG 4.06Å; Y49-M53 HydrophobicContact CE1-CG 3.7Å; Y49-M53 HydrophobicContact CE1-SD 4.43Å; Y49-M53 WeakPolarHBondContact O-CG 3.46Å; Y49-M53 PolarHBondContact O-N 3.4Å; A50-M53 PolarHBondContact O-N 3.11Å; M53-K55 VanDerWaalsContact C-N 3.26Å; M53-K55 PolarHBondContact O-N 3.14Å; M53-L56 WeakPolarHBondContact O-CB 3.37Å; M53-L56 PolarHBondContact O-N 3.35Å; M53-L56 VanDerWaalsContact O-N 3.13Å; M53-L56 HydrophobicContact SD-CD2 4.2Å; M53-A57 PolarHBondContact O-N 2.91Å; M53-T80 HydrophobicContact CB-CG2 4.36Å; M53-T80 HydrophobicContact CE-CG2 3.96Å; M53-T80 WeakPolarHBondContact O-CG2 3.38Å; M53-L83 HydrophobicContact CE-CD2 3.5Å; M53-L83 HydrophobicContact CE-CG 3.93Å; M53-A84 HydrophobicContact CB-CB 3.65Å
54T98Very high96.6Very high58 Ų5869.6 Ų69.636%0.35637%0.368SS..Hα-helixtrans-60.5-32.2172.3-55.30000113A50 S52 K58A50-T54 PolarHBondContact O-N 2.99Å; A50-T54 PolarHBondContact O-OG1 3.03Å; S52-T54 PolarHBondContact O-N 3.18Å; T54-K58 WeakPolarHBondContact O-CG 3.41Å; T54-K58 PolarHBondContact O-N 2.64Å
55K97.9Very high96.1Very high148 Ų14871.3 Ų71.364%0.64337%0.371SS*.Hα-helixtrans-72.9-41.9173.2-69.3170-175.5176.50111.4R51 S52 M53 K58 S59R51-K55 WeakPolarHBondContact O-CG 3.48Å; R51-K55 PolarHBondContact O-N 2.64Å; S52-K55 WeakPolarHBondContact O-CB 3.43Å; S52-K55 PolarHBondContact O-N 3.08Å; S52-K55 VanDerWaalsContact O-N 3.09Å; M53-K55 VanDerWaalsContact C-N 3.26Å; M53-K55 PolarHBondContact O-N 3.14Å; K55-K58 PolarHBondContact O-N 3.18Å; K55-S59 PolarHBondContact O-N 3.44Å
56L97.8Very high95.5Very high92 Ų9272.8 Ų72.848%0.48238%0.379SS..Hα-helixtrans-60.5-45.5177.7-179.960.4000111.6S52 M53 K58 S59 A60 T80S52-L56 PolarHBondContact O-N 3.12Å; M53-L56 WeakPolarHBondContact O-CB 3.37Å; M53-L56 PolarHBondContact O-N 3.35Å; M53-L56 VanDerWaalsContact O-N 3.13Å; M53-L56 HydrophobicContact SD-CD2 4.2Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.2Å; L56-S59 WeakPolarHBondContact O-CA 3.45Å; L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 2.93Å; L56-A60 PolarHBondContact O-N 3.3Å; L56-T80 HydrophobicContact CB-CG2 4.2Å; L56-T80 HydrophobicContact CD2-CG2 4.21Å; L56-T80 HydrophobicContact CG-CG2 4.2Å
57A97.9Very high95.1Very high0 Ų074.2 Ų74.20%040%0.398CS..Hα-helixtrans-58-44174.900000113M53 S59 A60 G61 K77 T80 E81M53-A57 PolarHBondContact O-N 2.91Å; A57-S59 VanDerWaalsContact C-N 3.29Å; A57-S59 PolarHBondContact O-N 2.94Å; A57-A60 WeakPolarHBondContact O-CB 3.41Å; A57-A60 PolarHBondContact O-N 2.59Å; A57-A60 VanDerWaalsContact O-N 3.16Å; A57-G61 PolarHBondContact O-N 2.88Å; A57-G61 VanDerWaalsContact O-N 3.08Å; A57-K77 HydrophobicContact CB-CG 4.48Å; A57-T80 HydrophobicContact CB-CG2 3.85Å; A57-E81 HydrophobicContact CB-CG 3.51Å
58K96.5Very high94.9Very high135 Ų13574.7 Ų74.759%0.58741%0.405SS*.Hα-helixtrans-63.5-34.9174.7-72.2177.1179.4-172.90112.2T54 K55 L56 N62T54-K58 WeakPolarHBondContact O-CG 3.41Å; T54-K58 PolarHBondContact O-N 2.64Å; K55-K58 PolarHBondContact O-N 3.18Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.2Å; K58-N62 VanDerWaalsContact O-CG 3.25Å; K58-N62 PolarHBondContact O-N 2.89Å; K58-N62 PolarHBondContact O-ND2 3.01Å
59S96.1Very high94.7Very high52 Ų5277 Ų7736%0.36441%0.405SS..Hα-helixtrans-66.3-40.2172.1-166.40000112.1K55 L56 A57 G61 N62 F63K55-S59 PolarHBondContact O-N 3.44Å; L56-S59 WeakPolarHBondContact O-CA 3.45Å; L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 2.93Å; A57-S59 VanDerWaalsContact C-N 3.29Å; A57-S59 PolarHBondContact O-N 2.94Å; S59-G61 VanDerWaalsContact C-N 3.33Å; S59-G61 PolarHBondContact O-N 2.93Å; S59-N62 PolarHBondContact O-N 2.82Å; S59-F63 PolarHBondContact O-N 2.78Å
60A93.9Very high94.5Very high6 Ų672.4 Ų72.45%0.0539%0.389CS..Hα-helixtrans-60.7-42.6176.800000111.8L56 A57 N62 F63 K77L56-A60 PolarHBondContact O-N 3.3Å; A57-A60 WeakPolarHBondContact O-CB 3.41Å; A57-A60 PolarHBondContact O-N 2.59Å; A57-A60 VanDerWaalsContact O-N 3.16Å; A60-N62 PolarHBondContact O-N 2.79Å; A60-F63 HydrophobicContact CB-CD2 4.41Å; A60-F63 HydrophobicContact CB-CE2 4.36Å; A60-F63 PolarHBondContact O-N 3.4Å; A60-K77 HydrophobicContact CB-CB 4.05Å
61G91.5Very high94.2Very high30 Ų3073.9 Ų73.931%0.30940%0.399SS..THydrogen-bonded Turntrans-66.1-13.3173.100000115.5A57 S59A57-G61 PolarHBondContact O-N 2.88Å; A57-G61 VanDerWaalsContact O-N 3.08Å; S59-G61 VanDerWaalsContact C-N 3.33Å; S59-G61 PolarHBondContact O-N 2.93Å
62N93.9Very high94Very high140 Ų14068 Ų6875%0.74938%0.377SS*.THydrogen-bonded Turntrans-98.4-0.5177.7-70-14.1000113.1K58 S59 A60K58-N62 VanDerWaalsContact O-CG 3.25Å; K58-N62 PolarHBondContact O-N 2.89Å; K58-N62 PolarHBondContact O-ND2 3.01Å; S59-N62 PolarHBondContact O-N 2.82Å; A60-N62 PolarHBondContact O-N 2.79Å
63F94.3Very high93.9Very high82 Ų8268.3 Ų68.336%0.3637%0.368SS..SBendtrans-72.5164.2178.8-68.2-34.8000112.9S59 A60 Q65 W73S59-F63 PolarHBondContact O-N 2.78Å; A60-F63 HydrophobicContact CB-CD2 4.41Å; A60-F63 HydrophobicContact CB-CE2 4.36Å; A60-F63 PolarHBondContact O-N 3.4Å; F63-Q65 PolarHBondContact O-N 2.84Å; F63-Q65 PolarHBondContact O-NE2 2.94Å; F63-W73 HydrophobicContact CB-CD2 4.25Å; F63-W73 HydrophobicContact CB-CG 4.09Å; F63-W73 AromaticContact CD2-CD2 3.57Å; F63-W73 HydrophobicContact CD2-CD2 3.57Å; F63-W73 AromaticContact CD2-CE2 3.8Å; F63-W73 AromaticContact CD2-CE3 3.57Å; F63-W73 HydrophobicContact CD2-CE3 3.57Å; F63-W73 HydrophobicContact CD2-CG 4.14Å; F63-W73 HydrophobicContact CD2-CH2 4.05Å; F63-W73 HydrophobicContact CD2-CZ2 4.04Å; F63-W73 AromaticContact CD2-CZ3 3.82Å; F63-W73 HydrophobicContact CD2-CZ3 3.82Å; F63-W73 HydrophobicContact CE2-CD2 4.39Å; F63-W73 AromaticContact CE2-CE3 3.96Å; F63-W73 HydrophobicContact CE2-CE3 3.96Å; F63-W73 HydrophobicContact CE2-CH2 4.09Å; F63-W73 AromaticContact CE2-CZ3 3.8Å; F63-W73 HydrophobicContact CE2-CZ3 3.8Å; F63-W73 HydrophobicContact CG-CD2 4.38Å
64S90.7Very high93.7Very high71 Ų7171.2 Ų71.250%0.49738%0.384SS..  trans-54.8124.3-173-175.10000112.7L66S64-L66 PolarHBondContact O-N 2.9Å; S64-L66 WeakPolarHBondContact OG-CB 3.25Å; S64-L66 PolarHBondContact OG-N 2.93Å
65Q87.7Confident93.6Very high116 Ų11669.6 Ų69.654%0.54237%0.373SS..  trans-84.820.3173-57.5-59.2-51.200112.3F63F63-Q65 PolarHBondContact O-N 2.84Å; F63-Q65 PolarHBondContact O-NE2 2.94Å
66L86.8Confident93.6Very high140 Ų14066.1 Ų66.173%0.73336%0.358SS*.  trans-110.9135.3178.9-56.7176.3000110.2S64S64-L66 PolarHBondContact O-N 2.9Å; S64-L66 WeakPolarHBondContact OG-CB 3.25Å; S64-L66 PolarHBondContact OG-N 2.93Å
67G89.3Confident93.5Very high47 Ų4764.8 Ų64.849%0.48535%0.348SS..SBendtrans93.9161.2-18000000113.9F69 A70G67-F69 PolarHBondContact O-N 2.82Å; G67-F69 VanDerWaalsContact O-N 3.13Å; G67-A70 PolarHBondContact O-N 2.94Å
68T93Very high93.5Very high58 Ų5867 Ų6736%0.35636%0.364SS..THydrogen-bonded Turntrans-58.5-27.9-172.7-26.80000113.7P71 L250 I251 L254T68-P71 WeakPolarHBondContact O-CD 3.47Å; T68-L250 HydrophobicContact CG2-CB 4Å; T68-I251 HydrophobicContact CG2-CG1 4.05Å; T68-L254 HydrophobicContact CG2-CB 4.19Å; T68-L254 HydrophobicContact CG2-CD2 4.03Å; T68-L254 WeakPolarHBondContact OG1-CD2 3.42Å
69F94Very high93.6Very high104 Ų10461.3 Ų61.346%0.45634%0.341SS..THydrogen-bonded Turntrans-78.9-13.1-176.2-165.1-97.8000114.1G67 P71 M72 W73 F76G67-F69 PolarHBondContact O-N 2.82Å; G67-F69 VanDerWaalsContact O-N 3.13Å; F69-P71 VanDerWaalsContact C-N 3.34Å; F69-P71 VanDerWaalsContact O-N 3.13Å; F69-M72 HydrophobicContact CD1-CB 4.03Å; F69-M72 HydrophobicContact CD1-CG 4.41Å; F69-M72 HydrophobicContact CD2-CB 4.19Å; F69-M72 HydrophobicContact CD2-CG 3.74Å; F69-M72 HydrophobicContact CE1-CB 3.75Å; F69-M72 HydrophobicContact CE1-CG 4.37Å; F69-M72 HydrophobicContact CE2-CB 3.92Å; F69-M72 HydrophobicContact CE2-CG 3.7Å; F69-M72 HydrophobicContact CG-CB 4.24Å; F69-M72 HydrophobicContact CG-CG 4.12Å; F69-M72 HydrophobicContact CZ-CB 3.69Å; F69-M72 HydrophobicContact CZ-CG 4.03Å; F69-M72 VanDerWaalsContact O-CB 3.3Å; F69-M72 WeakPolarHBondContact O-CB 3.45Å; F69-M72 WeakPolarHBondContact O-CG 3.4Å; F69-M72 PolarHBondContact O-N 3.02Å; F69-W73 AromaticContact CD1-CE2 3.93Å; F69-W73 HydrophobicContact CD1-CZ2 4.17Å; F69-W73 AromaticContact CD1-NE1 3.87Å; F69-W73 HydrophobicContact CE1-CD2 4.21Å; F69-W73 AromaticContact CE1-CE2 3.84Å; F69-W73 HydrophobicContact CE1-CH2 4.21Å; F69-W73 AromaticContact CE1-CZ2 3.86Å; F69-W73 HydrophobicContact CE1-CZ2 3.86Å; F69-F76 HydrophobicContact CZ-CE2 4.33Å
70A92.5Very high93.7Very high10 Ų1059.7 Ų59.78%0.08333%0.329CS..THydrogen-bonded Turntrans-49.4-41.5-173.800000115.2G67 M72 W73G67-A70 PolarHBondContact O-N 2.94Å; A70-M72 PolarHBondContact O-N 2.86Å; A70-W73 PolarHBondContact O-N 3.23Å
71P92.3Very high93.9Very high31 Ų3163.1 Ų63.120%0.20134%0.344CS..THydrogen-bonded Turntrans-63.4-21.7177.7-22.234.8000115T68 F69 W73 D74 L250 K253T68-P71 WeakPolarHBondContact O-CD 3.47Å; F69-P71 VanDerWaalsContact C-N 3.34Å; F69-P71 VanDerWaalsContact O-N 3.13Å; P71-W73 VanDerWaalsContact C-N 3.26Å; P71-W73 PolarHBondContact O-N 3.47Å; P71-D74 PolarHBondContact O-N 2.86Å; P71-L250 HydrophobicContact CB-CD2 3.86Å; P71-L250 HydrophobicContact CG-CD2 3.85Å; P71-K253 HydrophobicContact CG-CD 4.07Å
72M94.7Very high94.2Very high15 Ų1565.3 Ų65.37%0.07435%0.345CS..Hα-helixtrans-67.7-29.5179.2-58.9-58.3-77.600111.6F69 A70 D74 I75 F76 I242 T245 L250F69-M72 HydrophobicContact CD1-CB 4.03Å; F69-M72 HydrophobicContact CD1-CG 4.41Å; F69-M72 HydrophobicContact CD2-CB 4.19Å; F69-M72 HydrophobicContact CD2-CG 3.74Å; F69-M72 HydrophobicContact CE1-CB 3.75Å; F69-M72 HydrophobicContact CE1-CG 4.37Å; F69-M72 HydrophobicContact CE2-CB 3.92Å; F69-M72 HydrophobicContact CE2-CG 3.7Å; F69-M72 HydrophobicContact CG-CB 4.24Å; F69-M72 HydrophobicContact CG-CG 4.12Å; F69-M72 HydrophobicContact CZ-CB 3.69Å; F69-M72 HydrophobicContact CZ-CG 4.03Å; F69-M72 VanDerWaalsContact O-CB 3.3Å; F69-M72 WeakPolarHBondContact O-CB 3.45Å; F69-M72 WeakPolarHBondContact O-CG 3.4Å; F69-M72 PolarHBondContact O-N 3.02Å; A70-M72 PolarHBondContact O-N 2.86Å; M72-D74 VanDerWaalsContact C-N 3.28Å; M72-D74 PolarHBondContact O-N 3.18Å; M72-I75 HydrophobicContact CE-CD1 4.26Å; M72-I75 WeakPolarHBondContact O-CB 3.25Å; M72-I75 PolarHBondContact O-N 3.07Å; M72-I75 HydrophobicContact SD-CD1 3.87Å; M72-F76 WeakPolarHBondContact O-CD2 3.49Å; M72-F76 PolarHBondContact O-N 2.92Å; M72-F76 VanDerWaalsContact O-N 3.08Å; M72-I242 HydrophobicContact CE-CD1 3.49Å; M72-I242 VanDerWaalsContact CE-CD1 3.49Å; M72-I242 HydrophobicContact CE-CG2 4.28Å; M72-T245 HydrophobicContact SD-CG2 3.49Å; M72-T245 WeakPolarHBondContact SD-CG2 3.42Å; M72-L250 HydrophobicContact CG-CD1 4.11Å; M72-L250 HydrophobicContact SD-CD1 3.84Å; M72-L250 HydrophobicContact SD-CD2 4.2Å
73W95.1Very high94.4Very high74 Ų7459.4 Ų59.428%0.2831%0.314SS..Hα-helixtrans-65.5-29179.5-65.5127.8000113.2F63 F69 A70 P71 I75 F76 K77F63-W73 HydrophobicContact CB-CD2 4.25Å; F63-W73 HydrophobicContact CB-CG 4.09Å; F63-W73 AromaticContact CD2-CD2 3.57Å; F63-W73 HydrophobicContact CD2-CD2 3.57Å; F63-W73 AromaticContact CD2-CE2 3.8Å; F63-W73 AromaticContact CD2-CE3 3.57Å; F63-W73 HydrophobicContact CD2-CE3 3.57Å; F63-W73 HydrophobicContact CD2-CG 4.14Å; F63-W73 HydrophobicContact CD2-CH2 4.05Å; F63-W73 HydrophobicContact CD2-CZ2 4.04Å; F63-W73 AromaticContact CD2-CZ3 3.82Å; F63-W73 HydrophobicContact CD2-CZ3 3.82Å; F63-W73 HydrophobicContact CE2-CD2 4.39Å; F63-W73 AromaticContact CE2-CE3 3.96Å; F63-W73 HydrophobicContact CE2-CE3 3.96Å; F63-W73 HydrophobicContact CE2-CH2 4.09Å; F63-W73 AromaticContact CE2-CZ3 3.8Å; F63-W73 HydrophobicContact CE2-CZ3 3.8Å; F63-W73 HydrophobicContact CG-CD2 4.38Å; F69-W73 AromaticContact CD1-CE2 3.93Å; F69-W73 HydrophobicContact CD1-CZ2 4.17Å; F69-W73 AromaticContact CD1-NE1 3.87Å; F69-W73 HydrophobicContact CE1-CD2 4.21Å; F69-W73 AromaticContact CE1-CE2 3.84Å; F69-W73 HydrophobicContact CE1-CH2 4.21Å; F69-W73 AromaticContact CE1-CZ2 3.86Å; F69-W73 HydrophobicContact CE1-CZ2 3.86Å; A70-W73 PolarHBondContact O-N 3.23Å; P71-W73 VanDerWaalsContact C-N 3.26Å; P71-W73 PolarHBondContact O-N 3.47Å; W73-I75 VanDerWaalsContact C-N 3.32Å; W73-F76 HydrophobicContact CE3-CB 4.35Å; W73-F76 HydrophobicContact CE3-CD2 4.01Å; W73-F76 HydrophobicContact CE3-CG 4.33Å; W73-F76 HydrophobicContact CZ3-CD2 4.24Å; W73-K77 WeakPolarHBondContact O-CB 3.44Å; W73-K77 PolarHBondContact O-N 2.63Å
74D93.8Very high94.6Very high86 Ų8655.7 Ų55.746%0.4630%0.298SS..Hα-helixtrans-67.6-32.8171.9-78.8-43.9000112.2P71 M72 S78P71-D74 PolarHBondContact O-N 2.86Å; M72-D74 VanDerWaalsContact C-N 3.28Å; M72-D74 PolarHBondContact O-N 3.18Å; D74-S78 WeakPolarHBondContact O-CB 3.22Å; D74-S78 PolarHBondContact O-N 3.24Å
75I96.3Very high95Very high24 Ų2456.5 Ų56.512%0.12330%0.3CS..Hα-helixtrans-70.3-47.9176.4-49.6174.7000110M72 W73 K77 S78 S79 F238 N241 I242 T245M72-I75 HydrophobicContact CE-CD1 4.26Å; M72-I75 WeakPolarHBondContact O-CB 3.25Å; M72-I75 PolarHBondContact O-N 3.07Å; M72-I75 HydrophobicContact SD-CD1 3.87Å; W73-I75 VanDerWaalsContact C-N 3.32Å; I75-K77 VanDerWaalsContact C-N 3.34Å; I75-K77 PolarHBondContact O-N 3.13Å; I75-S78 PolarHBondContact O-N 3.42Å; I75-S79 WeakPolarHBondContact O-CB 3.25Å; I75-S79 PolarHBondContact O-N 3.38Å; I75-F238 HydrophobicContact CG2-CD2 3.94Å; I75-F238 HydrophobicContact CG2-CE2 3.91Å; I75-N241 HydrophobicContact CG2-CB 3.64Å; I75-I242 HydrophobicContact CD1-CD1 4.46Å; I75-I242 HydrophobicContact CG2-CD1 4.08Å; I75-T245 HydrophobicContact CD1-CG2 4.05Å; I75-T245 VanDerWaalsContact CD1-OG1 3.23Å; I75-T245 WeakPolarHBondContact CD1-OG1 3.24Å
76F96.8Very high95.5Very high76 Ų7651.6 Ų51.633%0.33328%0.278SS..Hα-helixtrans-56.9-46.9172.9-84.8-79.1000111.5F69 M72 W73 T80 F238F69-F76 HydrophobicContact CZ-CE2 4.33Å; M72-F76 WeakPolarHBondContact O-CD2 3.49Å; M72-F76 PolarHBondContact O-N 2.92Å; M72-F76 VanDerWaalsContact O-N 3.08Å; W73-F76 HydrophobicContact CE3-CB 4.35Å; W73-F76 HydrophobicContact CE3-CD2 4.01Å; W73-F76 HydrophobicContact CE3-CG 4.33Å; W73-F76 HydrophobicContact CZ3-CD2 4.24Å; F76-T80 VanDerWaalsContact O-CB 3.3Å; F76-T80 WeakPolarHBondContact O-CB 3.49Å; F76-T80 PolarHBondContact O-N 3.29Å; F76-T80 PolarHBondContact O-OG1 3.27Å; F76-F238 HydrophobicContact CD1-CE2 4.11Å; F76-F238 AromaticContact CD1-CZ 3.74Å; F76-F238 HydrophobicContact CD1-CZ 3.74Å; F76-F238 HydrophobicContact CE1-CE1 4.39Å; F76-F238 HydrophobicContact CE1-CE2 4.37Å; F76-F238 AromaticContact CE1-CZ 3.57Å; F76-F238 HydrophobicContact CE1-CZ 3.57Å; F76-F238 HydrophobicContact CE2-CZ 4.41Å; F76-F238 HydrophobicContact CG-CE2 4.27Å; F76-F238 HydrophobicContact CG-CZ 4.26Å; F76-F238 AromaticContact CZ-CZ 3.93Å; F76-F238 HydrophobicContact CZ-CZ 3.93Å
77K97.3Very high96Very high63 Ų6346 Ų4627%0.27425%0.248SC..Hα-helixtrans-57.1-56.5175.5171.5-174.5165.1-163.50111.1A57 A60 W73 I75 S79 T80 E81A57-K77 HydrophobicContact CB-CG 4.48Å; A60-K77 HydrophobicContact CB-CB 4.05Å; W73-K77 WeakPolarHBondContact O-CB 3.44Å; W73-K77 PolarHBondContact O-N 2.63Å; I75-K77 VanDerWaalsContact C-N 3.34Å; I75-K77 PolarHBondContact O-N 3.13Å; K77-S79 PolarHBondContact O-N 3.13Å; K77-T80 CarbonylContact O-C 3.56Å; K77-T80 WeakPolarHBondContact O-CA 3.22Å; K77-T80 PolarHBondContact O-N 3.46Å; K77-E81 WeakPolarHBondContact CE-OE1 3.31Å; K77-E81 HydrophobicContact CG-CG 4.32Å; K77-E81 WeakPolarHBondContact O-CG 3.36Å; K77-E81 PolarHBondContact O-N 3.03Å
78S97.4Very high96.5Very high47 Ų4746.3 Ų46.333%0.32924%0.238SC..Hα-helixtrans-62-41.4-173.6-170.70000112.6D74 I75 E81 K82D74-S78 WeakPolarHBondContact O-CB 3.22Å; D74-S78 PolarHBondContact O-N 3.24Å; I75-S78 PolarHBondContact O-N 3.42Å; S78-E81 PolarHBondContact O-N 2.84Å; S78-K82 WeakPolarHBondContact O-CG 3.31Å; S78-K82 PolarHBondContact O-N 3.12Å
79S98Very high96.7Very high16 Ų1646.8 Ų46.811%0.11224%0.236CC..Hα-helixtrans-60.7-44.9172.1176.90000112.1I75 K77 E81 K82 L83 F238I75-S79 WeakPolarHBondContact O-CB 3.25Å; I75-S79 PolarHBondContact O-N 3.38Å; K77-S79 PolarHBondContact O-N 3.13Å; S79-E81 VanDerWaalsContact C-N 3.35Å; S79-E81 PolarHBondContact O-N 3.06Å; S79-K82 PolarHBondContact O-N 3.14Å; S79-L83 WeakPolarHBondContact O-CB 3.33Å; S79-L83 PolarHBondContact O-N 2.96Å; S79-F238 VanDerWaalsContact CB-CD2 3.44Å; S79-F238 WeakPolarHBondContact OG-CB 3.46Å
80T98.1Very high96.9Very high18 Ų1842 Ų4211%0.1122%0.215CC..Hα-helixtrans-66-34.8178.5-52.70000112.2M53 L56 A57 F76 K77 A84M53-T80 HydrophobicContact CB-CG2 4.36Å; M53-T80 HydrophobicContact CE-CG2 3.96Å; M53-T80 WeakPolarHBondContact O-CG2 3.38Å; L56-T80 HydrophobicContact CB-CG2 4.2Å; L56-T80 HydrophobicContact CD2-CG2 4.21Å; L56-T80 HydrophobicContact CG-CG2 4.2Å; A57-T80 HydrophobicContact CB-CG2 3.85Å; F76-T80 VanDerWaalsContact O-CB 3.3Å; F76-T80 WeakPolarHBondContact O-CB 3.49Å; F76-T80 PolarHBondContact O-N 3.29Å; F76-T80 PolarHBondContact O-OG1 3.27Å; K77-T80 CarbonylContact O-C 3.56Å; K77-T80 WeakPolarHBondContact O-CA 3.22Å; K77-T80 PolarHBondContact O-N 3.46Å; T80-A84 VanDerWaalsContact O-CB 3.28Å; T80-A84 WeakPolarHBondContact O-CB 3.47Å; T80-A84 PolarHBondContact O-N 3.5Å
81E98.3Very high97.2Very high78 Ų7841.6 Ų41.636%0.36421%0.212SC..Hα-helixtrans-66.6-42.4173.5-68.9175.1158.700111.5A57 K77 S78 S79 T85A57-E81 HydrophobicContact CB-CG 3.51Å; K77-E81 WeakPolarHBondContact CE-OE1 3.31Å; K77-E81 HydrophobicContact CG-CG 4.32Å; K77-E81 WeakPolarHBondContact O-CG 3.36Å; K77-E81 PolarHBondContact O-N 3.03Å; S78-E81 PolarHBondContact O-N 2.84Å; S79-E81 VanDerWaalsContact C-N 3.35Å; S79-E81 PolarHBondContact O-N 3.06Å; E81-T85 WeakPolarHBondContact O-CB 3.4Å; E81-T85 PolarHBondContact O-N 3.42Å; E81-T85 PolarHBondContact O-OG1 2.93Å
82K98.4Very high97.5Very high76 Ų7645.6 Ų45.633%0.3323%0.226SC..Hα-helixtrans-63.7-48.6174.7-72.2176.7178.8-175.30111.5S78 S79 A84 T85 C86 V234 E237S78-K82 WeakPolarHBondContact O-CG 3.31Å; S78-K82 PolarHBondContact O-N 3.12Å; S79-K82 PolarHBondContact O-N 3.14Å; K82-A84 PolarHBondContact O-N 2.65Å; K82-T85 WeakPolarHBondContact O-CA 3.41Å; K82-T85 VanDerWaalsContact O-CB 3.28Å; K82-T85 WeakPolarHBondContact O-CB 3.47Å; K82-T85 PolarHBondContact O-N 3.29Å; K82-C86 PolarHBondContact O-N 2.78Å; K82-C86 PolarHBondContact O-SG 2.84Å; K82-C86 VanDerWaalsContact O-SG 3.39Å; K82-V234 HydrophobicContact CB-CG1 3.81Å; K82-V234 HydrophobicContact CB-CG2 3.85Å; K82-E237 IonicContact NZ-OE1 2.73Å; K82-E237 PolarHBondContact NZ-OE1 2.85Å; K82-E237 IonicContact NZ-OE2 2.67Å; K82-E237 PolarHBondContact NZ-OE2 3.36Å
83L98.3Very high97.7Very high16 Ų1646.9 Ų46.98%0.08423%0.231CC..Hα-helixtrans-60.5-43.9177.9-178.550.5000111.9M53 S79 T85 C86 H87 I231 V234M53-L83 HydrophobicContact CE-CD2 3.5Å; M53-L83 HydrophobicContact CE-CG 3.93Å; S79-L83 WeakPolarHBondContact O-CB 3.33Å; S79-L83 PolarHBondContact O-N 2.96Å; L83-T85 PolarHBondContact O-N 2.87Å; L83-C86 PolarHBondContact O-N 2.97Å; L83-H87 PolarHBondContact O-CD2 2.82Å; L83-H87 PolarHBondContact O-N 3.49Å; L83-I231 HydrophobicContact CD1-CB 4.28Å; L83-I231 HydrophobicContact CD1-CD1 4.4Å; L83-I231 HydrophobicContact CD1-CG1 3.76Å; L83-I231 HydrophobicContact CD1-CG2 3.82Å; L83-V234 HydrophobicContact CB-CG1 4.23Å
84A98.3Very high97.8Very high3 Ų343.4 Ų43.43%0.02522%0.218CC..Hα-helixtrans-58.8-34.5172.200000112.8M53 T80 K82 M88M53-A84 HydrophobicContact CB-CB 3.65Å; T80-A84 VanDerWaalsContact O-CB 3.28Å; T80-A84 WeakPolarHBondContact O-CB 3.47Å; T80-A84 PolarHBondContact O-N 3.5Å; K82-A84 PolarHBondContact O-N 2.65Å; A84-M88 WeakPolarHBondContact O-CB 3.24Å; A84-M88 PolarHBondContact O-N 3.5Å; A84-M88 VanDerWaalsContact O-N 3.13Å
85T98.4Very high98.1Very high88 Ų8843 Ų4354%0.5421%0.213SC..Hα-helixtrans-70.7-41.1178.6-56.90000111.8E81 K82 L83 H87 M88 E89E81-T85 WeakPolarHBondContact O-CB 3.4Å; E81-T85 PolarHBondContact O-N 3.42Å; E81-T85 PolarHBondContact O-OG1 2.93Å; K82-T85 WeakPolarHBondContact O-CA 3.41Å; K82-T85 VanDerWaalsContact O-CB 3.28Å; K82-T85 WeakPolarHBondContact O-CB 3.47Å; K82-T85 PolarHBondContact O-N 3.29Å; L83-T85 PolarHBondContact O-N 2.87Å; T85-H87 PolarHBondContact O-N 3.11Å; T85-M88 CarbonylContact O-C 3.5Å; T85-M88 PolarHBondContact O-N 3.48Å; T85-M88 VanDerWaalsContact O-N 3.16Å; T85-E89 PolarHBondContact O-N 3.24Å
86C98.4Very high98.1Very high13 Ų1346.1 Ų46.19%0.08823%0.23CC..Hα-helixtrans-57.5-48.9175.6-62.40000112K82 L83 M88 E89 L90 T227 I231K82-C86 PolarHBondContact O-N 2.78Å; K82-C86 PolarHBondContact O-SG 2.84Å; K82-C86 VanDerWaalsContact O-SG 3.39Å; L83-C86 PolarHBondContact O-N 2.97Å; C86-M88 VanDerWaalsContact C-N 3.33Å; C86-M88 PolarHBondContact O-N 2.82Å; C86-E89 WeakPolarHBondContact O-CB 3.45Å; C86-E89 PolarHBondContact O-N 3.31Å; C86-E89 VanDerWaalsContact O-N 3.11Å; C86-L90 PolarHBondContact O-N 3.1Å; C86-L90 VanDerWaalsContact O-N 3.07Å; C86-T227 HydrophobicContact CB-CG2 4.14Å; C86-T227 WeakPolarHBondContact O-CG2 3.27Å; C86-I231 HydrophobicContact CB-CG1 3.91Å
87H98.3Very high98.2Very high24 Ų2442.8 Ų42.811%0.11122%0.216CC..Hα-helixtrans-64.3-36.1176-73.8-92.7000112.3E46 Y49 A50 L83 T85 E89 L90 V91 I231E46-H87 IonicContact OE2-CE1 2.76Å; E46-H87 IonicContact OE2-CG 3.12Å; E46-H87 IonicContact OE2-ND1 2.89Å; E46-H87 PolarHBondContact OE2-ND1 3.38Å; Y49-H87 HydrophobicContact CD1-CB 4.34Å; Y49-H87 AromaticContact CD1-CD2 3.76Å; Y49-H87 AromaticContact CD1-CE1 3.68Å; Y49-H87 AromaticContact CD1-CG 3.69Å; Y49-H87 AromaticContact CD1-ND1 3.63Å; Y49-H87 AromaticContact CD1-NE2 3.76Å; Y49-H87 AromaticContact CE1-CD2 3.6Å; Y49-H87 AromaticContact CE1-CE1 3.62Å; Y49-H87 AromaticContact CE1-NE2 3.32Å; Y49-H87 VanDerWaalsContact CE1-NE2 3.32Å; Y49-H87 WeakPolarHBondContact CE1-NE2 3.46Å; A50-H87 HydrophobicContact CB-CB 3.81Å; L83-H87 PolarHBondContact O-CD2 2.82Å; L83-H87 PolarHBondContact O-N 3.49Å; T85-H87 PolarHBondContact O-N 3.11Å; H87-E89 VanDerWaalsContact C-N 3.29Å; H87-E89 PolarHBondContact O-N 2.71Å; H87-L90 PolarHBondContact O-N 3.4Å; H87-V91 WeakPolarHBondContact O-CG2 3.16Å; H87-V91 PolarHBondContact O-N 3.49Å; H87-I231 WeakPolarHBondContact NE2-CD1 3.43Å
88M98.3Very high98.2Very high52 Ų5240.5 Ų40.526%0.25621%0.206SC..Hα-helixtrans-71-20.2174.2-171.15963.900113.4E47 A50 R51 A84 T85 C86 V91 K92E47-M88 HydrophobicContact CG-CE 4.02Å; A50-M88 HydrophobicContact CB-CB 4.19Å; A50-M88 HydrophobicContact CB-CE 3.86Å; R51-M88 HydrophobicContact CG-CE 4.28Å; A84-M88 WeakPolarHBondContact O-CB 3.24Å; A84-M88 PolarHBondContact O-N 3.5Å; A84-M88 VanDerWaalsContact O-N 3.13Å; T85-M88 CarbonylContact O-C 3.5Å; T85-M88 PolarHBondContact O-N 3.48Å; T85-M88 VanDerWaalsContact O-N 3.16Å; C86-M88 VanDerWaalsContact C-N 3.33Å; C86-M88 PolarHBondContact O-N 2.82Å; M88-V91 HydrophobicContact SD-CB 4.43Å; M88-V91 HydrophobicContact SD-CG1 4.39Å; M88-K92 WeakPolarHBondContact O-CE 3.36Å; M88-K92 WeakPolarHBondContact O-CG 3.36Å
89E98.2Very high98.3Very high68 Ų6843.2 Ų43.232%0.31821%0.212SC..Hα-helixtrans-75.4-45.4168.9-170.4-179121.400110.9T85 C86 H87 V91 K92 K93 Q230T85-E89 PolarHBondContact O-N 3.24Å; C86-E89 WeakPolarHBondContact O-CB 3.45Å; C86-E89 PolarHBondContact O-N 3.31Å; C86-E89 VanDerWaalsContact O-N 3.11Å; H87-E89 VanDerWaalsContact C-N 3.29Å; H87-E89 PolarHBondContact O-N 2.71Å; E89-V91 VanDerWaalsContact C-N 3.29Å; E89-V91 PolarHBondContact O-N 3.06Å; E89-K92 WeakPolarHBondContact O-CB 3.45Å; E89-K92 PolarHBondContact O-N 2.86Å; E89-K93 PolarHBondContact O-N 3.24Å; E89-K93 VanDerWaalsContact OE1-CE 3.26Å; E89-K93 WeakPolarHBondContact OE1-CE 3.23Å; E89-K93 IonicContact OE1-NZ 2.82Å; E89-K93 PolarHBondContact OE1-NZ 2.95Å; E89-Q230 PolarHBondContact OE1-NE2 3.07Å
90L98.4Very high98.2Very high4 Ų445.7 Ų45.72%0.02122%0.222CC..Hα-helixtrans-56.8-42.4173.8177.559.9000111.7E46 C86 H87 K92 K93 L94 V224 T227E46-L90 HydrophobicContact CG-CD2 4Å; E46-L90 HydrophobicContact CG-CG 4.47Å; C86-L90 PolarHBondContact O-N 3.1Å; C86-L90 VanDerWaalsContact O-N 3.07Å; H87-L90 PolarHBondContact O-N 3.4Å; L90-K92 VanDerWaalsContact C-N 3.25Å; L90-K92 PolarHBondContact O-N 3.1Å; L90-K93 PolarHBondContact O-N 3.44Å; L90-K93 VanDerWaalsContact O-N 3.15Å; L90-L94 HydrophobicContact CD1-CD1 4.18Å; L90-L94 HydrophobicContact CD1-CD2 4.22Å; L90-L94 HydrophobicContact CD1-CG 3.92Å; L90-L94 HydrophobicContact CG-CD1 3.98Å; L90-L94 HydrophobicContact CG-CG 4.19Å; L90-L94 WeakPolarHBondContact O-CB 3.37Å; L90-L94 VanDerWaalsContact O-CG 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.4Å; L90-L94 PolarHBondContact O-N 2.95Å; L90-V224 HydrophobicContact CD1-CG2 4.09Å; L90-T227 HydrophobicContact CB-CG2 3.97Å; L90-T227 HydrophobicContact CD2-CG2 4.45Å
91V98.7Very high98.2Very high2 Ų244.8 Ų44.81%0.01222%0.217CC..Hα-helixtrans-51.8-43.2172.6168.30000111.9E46 E47 H87 M88 E89 Q95E46-V91 HydrophobicContact CB-CG2 3.63Å; E47-V91 HydrophobicContact CB-CG1 4.27Å; E47-V91 HydrophobicContact CB-CG2 3.83Å; E47-V91 HydrophobicContact CG-CG1 4.34Å; E47-V91 HydrophobicContact CG-CG2 4.46Å; H87-V91 WeakPolarHBondContact O-CG2 3.16Å; H87-V91 PolarHBondContact O-N 3.49Å; M88-V91 HydrophobicContact SD-CB 4.43Å; M88-V91 HydrophobicContact SD-CG1 4.39Å; E89-V91 VanDerWaalsContact C-N 3.29Å; E89-V91 PolarHBondContact O-N 3.06Å; V91-Q95 WeakPolarHBondContact O-CB 3.43Å; V91-Q95 VanDerWaalsContact O-CG 3.22Å; V91-Q95 WeakPolarHBondContact O-CG 3.37Å; V91-Q95 PolarHBondContact O-N 3.07Å
92K98.4Very high98.1Very high114 Ų11445.7 Ų45.750%0.49622%0.221SC..Hα-helixtrans-67.9-47177.7-61.6164.3-166.8167.70111.4M88 E89 L90 L94 Q95 D96M88-K92 WeakPolarHBondContact O-CE 3.36Å; M88-K92 WeakPolarHBondContact O-CG 3.36Å; E89-K92 WeakPolarHBondContact O-CB 3.45Å; E89-K92 PolarHBondContact O-N 2.86Å; L90-K92 VanDerWaalsContact C-N 3.25Å; L90-K92 PolarHBondContact O-N 3.1Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.47Å; K92-Q95 CarbonylContact O-C 3.6Å; K92-Q95 PolarHBondContact O-N 3.16Å; K92-Q95 VanDerWaalsContact O-N 3.09Å; K92-D96 PolarHBondContact O-N 3.22Å
93K98.3Very high98Very high43 Ų4349.1 Ų49.119%0.18723%0.232CC..Hα-helixtrans-56.3-43.9176.5-65-176.9-176.4177.90111.4E89 L90 D96 L97 E226E89-K93 PolarHBondContact O-N 3.24Å; E89-K93 VanDerWaalsContact OE1-CE 3.26Å; E89-K93 WeakPolarHBondContact OE1-CE 3.23Å; E89-K93 IonicContact OE1-NZ 2.82Å; E89-K93 PolarHBondContact OE1-NZ 2.95Å; L90-K93 PolarHBondContact O-N 3.44Å; L90-K93 VanDerWaalsContact O-N 3.15Å; K93-D96 PolarHBondContact O-N 3.43Å; K93-L97 WeakPolarHBondContact O-CB 3.26Å; K93-L97 PolarHBondContact O-N 3.39Å; K93-E226 IonicContact NZ-OE2 2.73Å; K93-E226 PolarHBondContact NZ-OE2 3.33Å
94L98.4Very high98Very high0 Ų049.9 Ų49.90%023%0.234CC..Hα-helixtrans-66.5-39.4175.5-63.6177.4000112.5I39 R42 E46 L90 K92 L97 I98 Y220I39-L94 HydrophobicContact CG2-CB 4.14Å; I39-L94 HydrophobicContact CG2-CD2 4.1Å; R42-L94 HydrophobicContact CG-CD1 3.85Å; E46-L94 HydrophobicContact CG-CD1 4.34Å; L90-L94 HydrophobicContact CD1-CD1 4.18Å; L90-L94 HydrophobicContact CD1-CD2 4.22Å; L90-L94 HydrophobicContact CD1-CG 3.92Å; L90-L94 HydrophobicContact CG-CD1 3.98Å; L90-L94 HydrophobicContact CG-CG 4.19Å; L90-L94 WeakPolarHBondContact O-CB 3.37Å; L90-L94 VanDerWaalsContact O-CG 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.4Å; L90-L94 PolarHBondContact O-N 2.95Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.47Å; L94-L97 PolarHBondContact O-N 2.99Å; L94-I98 VanDerWaalsContact O-CG1 3.28Å; L94-I98 WeakPolarHBondContact O-CG1 3.21Å; L94-I98 PolarHBondContact O-N 3.13Å; L94-Y220 HydrophobicContact CD2-CD2 3.52Å; L94-Y220 HydrophobicContact CD2-CE2 3.65Å
95Q98.2Very high97.8Very high77 Ų7751.5 Ų51.536%0.3624%0.243SC..Hα-helixtrans-67.2-33.2175.3-75.817510.400113.3V91 K92 K99V91-Q95 WeakPolarHBondContact O-CB 3.43Å; V91-Q95 VanDerWaalsContact O-CG 3.22Å; V91-Q95 WeakPolarHBondContact O-CG 3.37Å; V91-Q95 PolarHBondContact O-N 3.07Å; K92-Q95 CarbonylContact O-C 3.6Å; K92-Q95 PolarHBondContact O-N 3.16Å; K92-Q95 VanDerWaalsContact O-N 3.09Å; Q95-K99 WeakPolarHBondContact O-CE 3.1Å; Q95-K99 WeakPolarHBondContact O-CG 3.43Å; Q95-K99 PolarHBondContact O-N 2.95Å
96D98Very high97.7Very high91 Ų9152.6 Ų52.649%0.48724%0.242SC..Hα-helixtrans-73.5-39.8173-74.2-38.6000111.7K92 K93 I98 K99 E100K92-D96 PolarHBondContact O-N 3.22Å; K93-D96 PolarHBondContact O-N 3.43Å; D96-I98 VanDerWaalsContact C-N 3.31Å; D96-I98 PolarHBondContact O-N 3.3Å; D96-K99 WeakPolarHBondContact O-CB 3.37Å; D96-K99 PolarHBondContact O-N 3.43Å; D96-K99 IonicContact OD1-NZ 2.92Å; D96-K99 PolarHBondContact OD1-NZ 3.5Å; D96-E100 PolarHBondContact O-N 2.8Å; D96-E100 VanDerWaalsContact O-N 3.14Å
97L98.1Very high97.5Very high6 Ų656.9 Ų56.93%0.03126%0.261CS..Hα-helixtrans-61-38.1172.4-171.564.7000112.2I39 K93 L94 K99 E100 V101 I216 Y220I39-L97 HydrophobicContact CD1-CD2 4.04Å; I39-L97 HydrophobicContact CD1-CG 4.37Å; K93-L97 WeakPolarHBondContact O-CB 3.26Å; K93-L97 PolarHBondContact O-N 3.39Å; L94-L97 PolarHBondContact O-N 2.99Å; L97-K99 VanDerWaalsContact C-N 3.26Å; L97-K99 PolarHBondContact O-N 3.23Å; L97-E100 HydrophobicContact CD1-CB 4.48Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.27Å; L97-E100 WeakPolarHBondContact O-CA 3.47Å; L97-E100 VanDerWaalsContact O-CB 3.32Å; L97-E100 WeakPolarHBondContact O-CB 3.38Å; L97-E100 PolarHBondContact O-N 2.97Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.34Å; L97-V101 PolarHBondContact O-N 3.35Å; L97-I216 HydrophobicContact CD1-CG2 4.05Å; L97-I216 HydrophobicContact CG-CG2 4.35Å; L97-Y220 HydrophobicContact CD2-CD2 4.37Å
98I98.2Very high97.2Very high14 Ų1456 Ų567%0.07226%0.257CS..Hα-helixtrans-57-39.1172.8-75.6163.9000111.6T36 I39 R40 L94 D96 E100 V101 Q102T36-I98 HydrophobicContact CG2-CG2 3.94Å; I39-I98 HydrophobicContact CB-CD1 4.47Å; I39-I98 HydrophobicContact CB-CG1 4.04Å; I39-I98 HydrophobicContact CG2-CD1 4.01Å; I39-I98 HydrophobicContact CG2-CG1 3.66Å; R40-I98 HydrophobicContact CB-CD1 3.92Å; R40-I98 HydrophobicContact CG-CD1 4.26Å; L94-I98 VanDerWaalsContact O-CG1 3.28Å; L94-I98 WeakPolarHBondContact O-CG1 3.21Å; L94-I98 PolarHBondContact O-N 3.13Å; D96-I98 VanDerWaalsContact C-N 3.31Å; D96-I98 PolarHBondContact O-N 3.3Å; I98-E100 VanDerWaalsContact C-N 3.33Å; I98-V101 PolarHBondContact O-N 3.41Å; I98-Q102 WeakPolarHBondContact O-CB 3.47Å; I98-Q102 VanDerWaalsContact O-CG 3.24Å; I98-Q102 WeakPolarHBondContact O-CG 3.25Å; I98-Q102 PolarHBondContact O-N 3.21Å
99K97.9Very high97Very high104 Ų10455.5 Ų55.545%0.45226%0.261SS..Hα-helixtrans-69.4-32.4177-59.6161.8-159.7164.50111.6Q95 D96 L97 R103Q95-K99 WeakPolarHBondContact O-CE 3.1Å; Q95-K99 WeakPolarHBondContact O-CG 3.43Å; Q95-K99 PolarHBondContact O-N 2.95Å; D96-K99 WeakPolarHBondContact O-CB 3.37Å; D96-K99 PolarHBondContact O-N 3.43Å; D96-K99 IonicContact OD1-NZ 2.92Å; D96-K99 PolarHBondContact OD1-NZ 3.5Å; L97-K99 VanDerWaalsContact C-N 3.26Å; L97-K99 PolarHBondContact O-N 3.23Å; K99-R103 WeakPolarHBondContact O-CB 3.29Å; K99-R103 PolarHBondContact O-N 2.8Å
100E97.3Very high96.8Very high68 Ų6858.2 Ų58.232%0.31827%0.272SS..Hα-helixtrans-65.6-49.5173.1-169.2177.8177.300111.2D96 L97 I98 Q102 R103 Y104D96-E100 PolarHBondContact O-N 2.8Å; D96-E100 VanDerWaalsContact O-N 3.14Å; L97-E100 HydrophobicContact CD1-CB 4.48Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.27Å; L97-E100 WeakPolarHBondContact O-CA 3.47Å; L97-E100 VanDerWaalsContact O-CB 3.32Å; L97-E100 WeakPolarHBondContact O-CB 3.38Å; L97-E100 PolarHBondContact O-N 2.97Å; I98-E100 VanDerWaalsContact C-N 3.33Å; E100-Q102 VanDerWaalsContact C-N 3.32Å; E100-Q102 PolarHBondContact O-N 2.85Å; E100-R103 WeakPolarHBondContact O-CB 3.15Å; E100-R103 PolarHBondContact O-N 2.91Å; E100-Y104 PolarHBondContact O-N 3.01Å
101V97.4Very high96.6Very high0 Ų060.4 Ų60.40%029%0.29CS..Hα-helixtrans-62-39.9176.2-162.30000111.5S32 T36 I39 L97 I98 R103 Y104 V105 I216S32-V101 WeakPolarHBondContact O-CG1 3.31Å; T36-V101 WeakPolarHBondContact OG1-CG1 3.14Å; I39-V101 HydrophobicContact CD1-CG2 4.2Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.34Å; L97-V101 PolarHBondContact O-N 3.35Å; I98-V101 PolarHBondContact O-N 3.41Å; V101-R103 PolarHBondContact O-N 2.77Å; V101-Y104 PolarHBondContact O-N 2.98Å; V101-V105 WeakPolarHBondContact O-CG2 3.27Å; V101-V105 PolarHBondContact O-N 3.07Å; V101-I216 HydrophobicContact CG1-CD1 4.41Å; V101-I216 HydrophobicContact CG2-CD1 4.22Å; V101-I216 HydrophobicContact CG2-CG2 3.56Å
102Q96.1Very high96.4Very high96 Ų9660.5 Ų60.545%0.44929%0.29SS..Hα-helixtrans-61.9-42.7175.7-76.1173.9-22.500112.5T36 I98 E100 Y104 V105 E106T36-Q102 HydrophobicContact CG2-CG 3.96Å; I98-Q102 WeakPolarHBondContact O-CB 3.47Å; I98-Q102 VanDerWaalsContact O-CG 3.24Å; I98-Q102 WeakPolarHBondContact O-CG 3.25Å; I98-Q102 PolarHBondContact O-N 3.21Å; E100-Q102 VanDerWaalsContact C-N 3.32Å; E100-Q102 PolarHBondContact O-N 2.85Å; Q102-Y104 VanDerWaalsContact C-N 3.34Å; Q102-V105 PolarHBondContact O-N 2.74Å; Q102-E106 PolarHBondContact O-N 2.98Å
103R96.7Very high96.3Very high149 Ų14961.6 Ų61.656%0.56230%0.295SS*.Hα-helixtrans-60.7-45.3173.6-170.1-167.4-54.8158.38.2111K99 E100 V101 V105 E106 E107K99-R103 WeakPolarHBondContact O-CB 3.29Å; K99-R103 PolarHBondContact O-N 2.8Å; E100-R103 WeakPolarHBondContact O-CB 3.15Å; E100-R103 PolarHBondContact O-N 2.91Å; V101-R103 PolarHBondContact O-N 2.77Å; R103-V105 VanDerWaalsContact C-N 3.34Å; R103-V105 PolarHBondContact O-N 2.85Å; R103-E106 WeakPolarHBondContact O-CB 3.36Å; R103-E106 PolarHBondContact O-N 2.84Å; R103-E106 VanDerWaalsContact O-N 3.15Å; R103-E107 WeakPolarHBondContact CD-OE1 3.23Å; R103-E107 WeakPolarHBondContact CG-OE1 3.36Å; R103-E107 WeakPolarHBondContact O-CG 3.46Å; R103-E107 PolarHBondContact O-N 3.08Å
104Y97.1Very high96.1Very high31 Ų3165.5 Ų65.512%0.12231%0.312CS..Hα-helixtrans-60.8-40.4176.6176.9-114000112.4E100 V101 Q102 E106 E107 Q108 H209 H212 M213 I216E100-Y104 PolarHBondContact O-N 3.01Å; V101-Y104 PolarHBondContact O-N 2.98Å; Q102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-E106 VanDerWaalsContact C-N 3.3Å; Y104-E106 PolarHBondContact O-N 3.5Å; Y104-E107 PolarHBondContact O-N 3.01Å; Y104-Q108 HydrophobicContact CE2-CB 4.5Å; Y104-Q108 WeakPolarHBondContact O-CB 3.25Å; Y104-Q108 PolarHBondContact O-N 2.67Å; Y104-H209 AromaticContact CE1-ND1 3.72Å; Y104-H209 AromaticContact CZ-ND1 3.76Å; Y104-H209 WeakPolarHBondContact OH-CA 3.41Å; Y104-H209 PolarHBondContact OH-ND1 3.18Å; Y104-H212 AromaticContact CD1-CD2 3.95Å; Y104-H212 AromaticContact CD2-CD2 3.23Å; Y104-H212 WeakPolarHBondContact CD2-CD2 3.33Å; Y104-H212 AromaticContact CD2-NE2 3.63Å; Y104-H212 AromaticContact CE2-CD2 3.49Å; Y104-H212 VanDerWaalsContact CE2-CD2 3.49Å; Y104-H212 WeakPolarHBondContact CE2-CD2 3.48Å; Y104-H212 AromaticContact CG-CD2 3.49Å; Y104-H212 VanDerWaalsContact CG-CD2 3.49Å; Y104-H212 AromaticContact CG-NE2 3.76Å; Y104-H212 AromaticContact CZ-CD2 3.97Å; Y104-M213 HydrophobicContact CD1-SD 4.48Å; Y104-M213 HydrophobicContact CE1-CG 4.39Å; Y104-M213 HydrophobicContact CE1-SD 4.19Å; Y104-I216 HydrophobicContact CD1-CD1 4.38Å
105V95.5Very high96Very high38 Ų3865.7 Ų65.723%0.2331%0.313CS..Hα-helixtrans-58.4-40.1174.2168.90000111.9S32 V101 Q102 R103 A109S32-V105 VanDerWaalsContact CB-CG2 3.44Å; V101-V105 WeakPolarHBondContact O-CG2 3.27Å; V101-V105 PolarHBondContact O-N 3.07Å; Q102-V105 PolarHBondContact O-N 2.74Å; R103-V105 VanDerWaalsContact C-N 3.34Å; R103-V105 PolarHBondContact O-N 2.85Å; V105-A109 WeakPolarHBondContact O-CB 3.39Å; V105-A109 PolarHBondContact O-N 3.29Å
106E95.3Very high95.9Very high111 Ų11168 Ų6852%0.51932%0.322SS..Hα-helixtrans-69.5-41.4175.3-67.9-171.6-160.300113.2Q102 R103 Y104 A109 K110Q102-E106 PolarHBondContact O-N 2.98Å; R103-E106 WeakPolarHBondContact O-CB 3.36Å; R103-E106 PolarHBondContact O-N 2.84Å; R103-E106 VanDerWaalsContact O-N 3.15Å; Y104-E106 VanDerWaalsContact C-N 3.3Å; Y104-E106 PolarHBondContact O-N 3.5Å; E106-A109 WeakPolarHBondContact O-CB 3.25Å; E106-A109 PolarHBondContact O-N 3.16Å; E106-K110 VanDerWaalsContact O-CD 3.31Å; E106-K110 WeakPolarHBondContact O-CD 3.29Å; E106-K110 VanDerWaalsContact O-CG 3.23Å; E106-K110 WeakPolarHBondContact O-CG 3.24Å; E106-K110 PolarHBondContact O-N 3.22Å; E106-K110 IonicContact OE2-NZ 3.73Å; E106-K110 PolarHBondContact OE2-NZ 2.87Å
107E94.5Very high95.8Very high102 Ų10269.6 Ų69.648%0.47733%0.327SS..Hα-helixtrans-65.4-42.5177.5-71.8175.4-163.700110.9R103 Y104 A109 K110 A111R103-E107 WeakPolarHBondContact CD-OE1 3.23Å; R103-E107 WeakPolarHBondContact CG-OE1 3.36Å; R103-E107 WeakPolarHBondContact O-CG 3.46Å; R103-E107 PolarHBondContact O-N 3.08Å; Y104-E107 PolarHBondContact O-N 3.01Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-A109 PolarHBondContact O-N 2.64Å; E107-K110 PolarHBondContact O-N 2.89Å; E107-A111 WeakPolarHBondContact O-CB 3.18Å; E107-A111 PolarHBondContact O-N 3.06Å
108Q93.1Very high95.7Very high7 Ų772.9 Ų72.93%0.03334%0.342CS..Hα-helixtrans-59.2-41.7170.9-170.1179.430.100111.2G28 Q29 S32 Y104 A111 H112 H209G28-Q108 VanDerWaalsContact C-NE2 3.28Å; G28-Q108 PolarHBondContact O-NE2 2.9Å; Q29-Q108 HydrophobicContact CG-CG 4.02Å; S32-Q108 PolarHBondContact OG-OE1 3.25Å; Y104-Q108 HydrophobicContact CE2-CB 4.5Å; Y104-Q108 WeakPolarHBondContact O-CB 3.25Å; Y104-Q108 PolarHBondContact O-N 2.67Å; Q108-A111 PolarHBondContact O-N 3.14Å; Q108-H112 WeakPolarHBondContact CG-CE1 3.2Å; Q108-H112 WeakPolarHBondContact CG-NE2 3.42Å; Q108-H112 WeakPolarHBondContact O-CB 3.28Å; Q108-H112 PolarHBondContact O-CD2 3.49Å; Q108-H112 VanDerWaalsContact O-CD2 3.31Å; Q108-H112 PolarHBondContact O-N 2.99Å; Q108-H209 PolarHBondContact NE2-CE1 2.87Å; Q108-H209 PolarHBondContact NE2-ND1 3.3Å
109A93.4Very high95.7Very high40 Ų4072.5 Ų72.533%0.33134%0.34SS..Hα-helixtrans-62.4-43.2174.500000112.6V105 E106 E107 K113V105-A109 WeakPolarHBondContact O-CB 3.39Å; V105-A109 PolarHBondContact O-N 3.29Å; E106-A109 WeakPolarHBondContact O-CB 3.25Å; E106-A109 PolarHBondContact O-N 3.16Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-A109 PolarHBondContact O-N 2.64Å; A109-K113 PolarHBondContact O-N 2.85Å; A109-K113 VanDerWaalsContact O-N 3.09Å
110K94.9Very high95.6Very high126 Ų12669.4 Ų69.455%0.54833%0.334SS..Hα-helixtrans-64.1-44.7176.6-65.8155.2-162.91610110.4E106 E107 K113 K114E106-K110 VanDerWaalsContact O-CD 3.31Å; E106-K110 WeakPolarHBondContact O-CD 3.29Å; E106-K110 VanDerWaalsContact O-CG 3.23Å; E106-K110 WeakPolarHBondContact O-CG 3.24Å; E106-K110 PolarHBondContact O-N 3.22Å; E106-K110 IonicContact OE2-NZ 3.73Å; E106-K110 PolarHBondContact OE2-NZ 2.87Å; E107-K110 PolarHBondContact O-N 2.89Å; K110-K113 PolarHBondContact O-N 3.32Å; K110-K114 PolarHBondContact O-N 3.31Å; K110-K114 VanDerWaalsContact O-N 3.12Å
111A93.9Very high95.6Very high49 Ų4969.1 Ų69.141%0.40534%0.338SS..Hα-helixtrans-64.5-42.4176.600000113E107 Q108 K113 K114 T115E107-A111 WeakPolarHBondContact O-CB 3.18Å; E107-A111 PolarHBondContact O-N 3.06Å; Q108-A111 PolarHBondContact O-N 3.14Å; A111-K113 VanDerWaalsContact C-N 3.28Å; A111-K113 PolarHBondContact O-N 3.34Å; A111-K114 PolarHBondContact O-N 3.43Å; A111-T115 WeakPolarHBondContact O-CB 3.46Å; A111-T115 PolarHBondContact O-N 2.71Å; A111-T115 PolarHBondContact O-OG1 2.6Å
112H94.4Very high95.7Very high5 Ų569.5 Ų69.52%0.02334%0.34CS..Hα-helixtrans-68.5-25.7176.8-67.7179.6000112.8M25 Q29 Q108 K116M25-H112 HydrophobicContact CE-CB 4.18Å; M25-H112 WeakPolarHBondContact CG-NE2 3.35Å; M25-H112 PolarHBondContact O-CE1 3.4Å; Q29-H112 WeakPolarHBondContact CG-ND1 3.49Å; Q29-H112 PolarHBondContact OE1-ND1 3.07Å; Q108-H112 WeakPolarHBondContact CG-CE1 3.2Å; Q108-H112 WeakPolarHBondContact CG-NE2 3.42Å; Q108-H112 WeakPolarHBondContact O-CB 3.28Å; Q108-H112 PolarHBondContact O-CD2 3.49Å; Q108-H112 VanDerWaalsContact O-CD2 3.31Å; Q108-H112 PolarHBondContact O-N 2.99Å; H112-K116 PolarHBondContact O-N 3.2Å
113K95.3Very high95.7Very high136 Ų13667.5 Ų67.559%0.59133%0.333SS*.Hα-helixtrans-69.4-52.5169.4-171.7-169.5172.3-161.80110.4A109 K110 A111 T115 K116 E117A109-K113 PolarHBondContact O-N 2.85Å; A109-K113 VanDerWaalsContact O-N 3.09Å; K110-K113 PolarHBondContact O-N 3.32Å; A111-K113 VanDerWaalsContact C-N 3.28Å; A111-K113 PolarHBondContact O-N 3.34Å; K113-T115 VanDerWaalsContact C-N 3.31Å; K113-T115 PolarHBondContact O-N 2.98Å; K113-K116 WeakPolarHBondContact O-CB 3.31Å; K113-K116 PolarHBondContact O-N 3.4Å; K113-K116 VanDerWaalsContact O-N 3.13Å; K113-E117 WeakPolarHBondContact CE-OE1 3.27Å; K113-E117 IonicContact NZ-OE1 3.18Å; K113-E117 PolarHBondContact O-N 2.82Å
114K95.6Very high95.7Very high126 Ų12666.6 Ų66.655%0.54834%0.335SS..Hα-helixtrans-56.2-45.1177.8-171.7178.7-173-97.60111.7K110 A111 K116 E117 E118K110-K114 PolarHBondContact O-N 3.31Å; K110-K114 VanDerWaalsContact O-N 3.12Å; A111-K114 PolarHBondContact O-N 3.43Å; K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 2.82Å; K114-E117 WeakPolarHBondContact O-CB 3.42Å; K114-E117 PolarHBondContact O-N 3.44Å; K114-E117 VanDerWaalsContact O-N 3.08Å; K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 HydrophobicContact CG-CG 4.45Å; K114-E118 IonicContact NZ-OE1 2.74Å; K114-E118 PolarHBondContact NZ-OE1 3.32Å; K114-E118 WeakPolarHBondContact O-CG 3.45Å; K114-E118 PolarHBondContact O-N 2.94Å
115T96.2Very high95.8Very high4 Ų465.2 Ų65.23%0.02533%0.33CS..Hα-helixtrans-61-39.8178.9-52.20000111.8M25 A111 K113 E117 E118 V119 F202 I205M25-T115 HydrophobicContact CE-CG2 4.42Å; M25-T115 HydrophobicContact SD-CG2 3.76Å; A111-T115 WeakPolarHBondContact O-CB 3.46Å; A111-T115 PolarHBondContact O-N 2.71Å; A111-T115 PolarHBondContact O-OG1 2.6Å; K113-T115 VanDerWaalsContact C-N 3.31Å; K113-T115 PolarHBondContact O-N 2.98Å; T115-E117 PolarHBondContact O-N 2.94Å; T115-E118 PolarHBondContact O-N 2.96Å; T115-V119 HydrophobicContact CG2-CG1 4.08Å; T115-V119 WeakPolarHBondContact O-CG1 3.33Å; T115-V119 WeakPolarHBondContact O-CG2 3.49Å; T115-V119 PolarHBondContact O-N 3.35Å; T115-F202 HydrophobicContact CG2-CE1 4.23Å; T115-I205 HydrophobicContact CG2-CD1 3.51Å
116K95.6Very high95.9Very high125 Ų12563.5 Ų63.554%0.54332%0.319SS..Hα-helixtrans-58.2-37.7175.3-170.8-170.3179.6-175.50112.2Y22 H112 K113 K114 A120Y22-K116 HydrophobicContact CE2-CB 4.06Å; Y22-K116 HydrophobicContact CE2-CG 3.98Å; Y22-K116 WeakPolarHBondContact OH-CD 3.45Å; H112-K116 PolarHBondContact O-N 3.2Å; K113-K116 WeakPolarHBondContact O-CB 3.31Å; K113-K116 PolarHBondContact O-N 3.4Å; K113-K116 VanDerWaalsContact O-N 3.13Å; K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 2.82Å; K116-A120 PolarHBondContact O-N 2.86Å
117E96.1Very high96Very high125 Ų12563.4 Ų63.458%0.58432%0.319SS*.Hα-helixtrans-74.9-38.8178-66163.2-168.700111K113 K114 T115K113-E117 WeakPolarHBondContact CE-OE1 3.27Å; K113-E117 IonicContact NZ-OE1 3.18Å; K113-E117 PolarHBondContact O-N 2.82Å; K114-E117 WeakPolarHBondContact O-CB 3.42Å; K114-E117 PolarHBondContact O-N 3.44Å; K114-E117 VanDerWaalsContact O-N 3.08Å; T115-E117 PolarHBondContact O-N 2.94Å
118E95.6Very high96.1Very high74 Ų7460.9 Ų60.935%0.34631%0.313SS..Hα-helixtrans-60.8-42.8173.9-71.1173.6-179.900113.2K114 T115 R201K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 HydrophobicContact CG-CG 4.45Å; K114-E118 IonicContact NZ-OE1 2.74Å; K114-E118 PolarHBondContact NZ-OE1 3.32Å; K114-E118 WeakPolarHBondContact O-CG 3.45Å; K114-E118 PolarHBondContact O-N 2.94Å; T115-E118 PolarHBondContact O-N 2.96Å; E118-R201 IonicContact OE1-NH2 3.14Å; E118-R201 IonicContact OE2-CZ 3.64Å; E118-R201 IonicContact OE2-NE 2.65Å; E118-R201 PolarHBondContact OE2-NE 2.91Å; E118-R201 IonicContact OE2-NH2 3.6Å; E118-R201 PolarHBondContact OE2-NH2 3.45Å
119V97Very high96.4Very high6 Ų660.7 Ų60.74%0.03631%0.311CS..THydrogen-bonded Turntrans-94.43.4-172.3-51.20000114.6F18 T115 P121 T122 L123 T198 F202F18-V119 HydrophobicContact CE2-CB 4Å; F18-V119 HydrophobicContact CE2-CG2 3.7Å; F18-V119 HydrophobicContact CZ-CB 4.48Å; F18-V119 HydrophobicContact CZ-CG2 3.73Å; T115-V119 HydrophobicContact CG2-CG1 4.08Å; T115-V119 WeakPolarHBondContact O-CG1 3.33Å; T115-V119 WeakPolarHBondContact O-CG2 3.49Å; T115-V119 PolarHBondContact O-N 3.35Å; V119-P121 VanDerWaalsContact C-CD 3.46Å; V119-T122 WeakPolarHBondContact O-CB 3.31Å; V119-T122 PolarHBondContact O-N 2.78Å; V119-L123 PolarHBondContact O-N 3.01Å; V119-T198 HydrophobicContact CB-CG2 4.02Å; V119-T198 HydrophobicContact CG1-CG2 3.85Å; V119-F202 HydrophobicContact CG1-CZ 4.44Å; V119-F202 HydrophobicContact CG2-CZ 4.17Å
120A97.1Very high96.5Very high40 Ų4062 Ų6233%0.33131%0.311SS..Hα-helixtrans-55.7-40.1-179.600000114.4K116 T122 L123 E124K116-A120 PolarHBondContact O-N 2.86Å; A120-T122 PolarHBondContact O-N 2.99Å; A120-L123 WeakPolarHBondContact O-CB 3.47Å; A120-L123 PolarHBondContact O-N 3.3Å; A120-L123 VanDerWaalsContact O-N 3.14Å; A120-E124 PolarHBondContact O-N 3.06Å; A120-E124 VanDerWaalsContact O-N 3.13Å
121P97.8Very high96.6Very high62 Ų6259.4 Ų59.440%0.40331%0.309SS..Hα-helixtrans-63-21.8176.7-23.835.8000114.3V119 A125 K194V119-P121 VanDerWaalsContact C-CD 3.46Å; P121-A125 PolarHBondContact O-N 2.91Å; P121-K194 WeakPolarHBondContact O-CD 3.27Å; P121-K194 PolarHBondContact O-NZ 2.57Å
122T97.8Very high96.8Very high7 Ų758.6 Ų58.64%0.04330%0.297CS..Hα-helixtrans-77.9-39.7175.6-500000111.1F18 V119 A120 E124 A125 V126 K194 T198F18-T122 HydrophobicContact CD2-CG2 3.78Å; F18-T122 HydrophobicContact CE2-CG2 4.21Å; V119-T122 WeakPolarHBondContact O-CB 3.31Å; V119-T122 PolarHBondContact O-N 2.78Å; A120-T122 PolarHBondContact O-N 2.99Å; T122-E124 VanDerWaalsContact C-N 3.31Å; T122-E124 PolarHBondContact O-N 3.5Å; T122-A125 WeakPolarHBondContact O-CB 3.45Å; T122-A125 PolarHBondContact O-N 3Å; T122-A125 VanDerWaalsContact O-N 3.16Å; T122-V126 WeakPolarHBondContact O-CG2 3.23Å; T122-V126 PolarHBondContact O-N 3.07Å; T122-K194 HydrophobicContact CG2-CB 4.05Å; T122-T198 WeakPolarHBondContact CB-OG1 3.46Å; T122-T198 HydrophobicContact CG2-CG2 4.13Å; T122-T198 WeakPolarHBondContact CG2-OG1 3.49Å; T122-T198 PolarHBondContact OG1-OG1 2.92Å
123L97.1Very high96.9Very high55 Ų5560 Ų6029%0.28831%0.307SS..Hα-helixtrans-61.7-40.5172.5178.157.4000111.4F18 V119 A120 A125 V126 Q127F18-L123 HydrophobicContact CD1-CB 4.48Å; F18-L123 HydrophobicContact CD1-CD1 4.04Å; F18-L123 HydrophobicContact CE1-CB 3.82Å; F18-L123 HydrophobicContact CE1-CD1 3.8Å; F18-L123 HydrophobicContact CE1-CD2 4.41Å; F18-L123 HydrophobicContact CE1-CG 4.21Å; F18-L123 HydrophobicContact CZ-CB 3.83Å; V119-L123 PolarHBondContact O-N 3.01Å; A120-L123 WeakPolarHBondContact O-CB 3.47Å; A120-L123 PolarHBondContact O-N 3.3Å; A120-L123 VanDerWaalsContact O-N 3.14Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 2.88Å; L123-V126 PolarHBondContact O-N 2.85Å; L123-Q127 HydrophobicContact CD1-CG 4.36Å; L123-Q127 WeakPolarHBondContact O-CG 3.35Å; L123-Q127 PolarHBondContact O-N 3.22Å
124E97.4Very high97Very high130 Ų13060.5 Ų60.561%0.60731%0.312SS*.Hα-helixtrans-60.9-41.1172.8-68.1-179.9174.600112A120 T122 Q127 S128A120-E124 PolarHBondContact O-N 3.06Å; A120-E124 VanDerWaalsContact O-N 3.13Å; T122-E124 VanDerWaalsContact C-N 3.31Å; T122-E124 PolarHBondContact O-N 3.5Å; E124-Q127 PolarHBondContact O-N 3.41Å; E124-S128 WeakPolarHBondContact O-CB 3.33Å; E124-S128 PolarHBondContact O-N 3.43Å
125A97.8Very high97Very high2 Ų256.2 Ų56.22%0.01730%0.298CS..Hα-helixtrans-66.5-39.6176.600000112.8P121 T122 L123 S128 I129 D190 F191 K194P121-A125 PolarHBondContact O-N 2.91Å; T122-A125 WeakPolarHBondContact O-CB 3.45Å; T122-A125 PolarHBondContact O-N 3Å; T122-A125 VanDerWaalsContact O-N 3.16Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 2.88Å; A125-S128 PolarHBondContact O-N 3.37Å; A125-I129 WeakPolarHBondContact O-CG2 3.36Å; A125-I129 PolarHBondContact O-N 3.44Å; A125-D190 WeakPolarHBondContact CB-OD2 3.49Å; A125-F191 HydrophobicContact CB-CB 4.47Å; A125-K194 HydrophobicContact CB-CD 3.7Å
126V98Very high97.1Very high1 Ų157.5 Ų57.51%0.00630%0.304CS..Hα-helixtrans-59.7-50173.2170.50000110.9F18 T122 L123 S128 I129 Q130 F191F18-V126 HydrophobicContact CB-CG2 3.84Å; F18-V126 HydrophobicContact CG-CG2 4.31Å; T122-V126 WeakPolarHBondContact O-CG2 3.23Å; T122-V126 PolarHBondContact O-N 3.07Å; L123-V126 PolarHBondContact O-N 2.85Å; V126-S128 VanDerWaalsContact C-N 3.32Å; V126-S128 PolarHBondContact O-N 3.05Å; V126-I129 WeakPolarHBondContact O-CG2 3.08Å; V126-I129 PolarHBondContact O-N 3.32Å; V126-Q130 WeakPolarHBondContact O-CB 3.16Å; V126-Q130 VanDerWaalsContact O-CG 3.28Å; V126-Q130 WeakPolarHBondContact O-CG 3.46Å; V126-Q130 PolarHBondContact O-N 3.46Å; V126-Q130 VanDerWaalsContact O-N 3.07Å; V126-F191 HydrophobicContact CG2-CD2 3.95Å; V126-F191 HydrophobicContact CG2-CE2 3.8Å
127Q97.3Very high97.1Very high110 Ų11055.5 Ų55.551%0.51430%0.297SS..Hα-helixtrans-64-38.4178.4-68.3174.810.600111.8L123 E124 S131L123-Q127 HydrophobicContact CD1-CG 4.36Å; L123-Q127 WeakPolarHBondContact O-CG 3.35Å; L123-Q127 PolarHBondContact O-N 3.22Å; E124-Q127 PolarHBondContact O-N 3.41Å; Q127-S131 VanDerWaalsContact O-CB 3.24Å; Q127-S131 WeakPolarHBondContact O-CB 3.06Å; Q127-S131 PolarHBondContact O-N 2.92Å
128S97.8Very high97.1Very high49 Ų4956.9 Ų56.934%0.34330%0.301SS..Hα-helixtrans-62.3-52.3176.3-174.80000112E124 A125 V126 Q130 S131 I132E124-S128 WeakPolarHBondContact O-CB 3.33Å; E124-S128 PolarHBondContact O-N 3.43Å; A125-S128 PolarHBondContact O-N 3.37Å; V126-S128 VanDerWaalsContact C-N 3.32Å; V126-S128 PolarHBondContact O-N 3.05Å; S128-Q130 PolarHBondContact O-N 3.37Å; S128-S131 PolarHBondContact O-N 2.78Å; S128-I132 WeakPolarHBondContact O-CB 3.3Å; S128-I132 VanDerWaalsContact O-CG1 3.28Å; S128-I132 WeakPolarHBondContact O-CG1 3.49Å; S128-I132 PolarHBondContact O-N 2.93Å
129I97.6Very high97.2Very high2 Ų253.8 Ų53.81%0.0129%0.287CS..Hα-helixtrans-65.3-38.1-179.6-164.4-179.7000111.9N15 A125 V126 S133 Y184 K188 F191N15-I129 HydrophobicContact CB-CG2 4.18Å; A125-I129 WeakPolarHBondContact O-CG2 3.36Å; A125-I129 PolarHBondContact O-N 3.44Å; V126-I129 WeakPolarHBondContact O-CG2 3.08Å; V126-I129 PolarHBondContact O-N 3.32Å; I129-S133 VanDerWaalsContact O-CB 3.25Å; I129-S133 WeakPolarHBondContact O-CB 3.49Å; I129-S133 PolarHBondContact O-N 2.84Å; I129-S133 PolarHBondContact O-OG 3.37Å; I129-Y184 HydrophobicContact CD1-CE2 4.12Å; I129-Y184 HydrophobicContact CG1-CD2 4.32Å; I129-Y184 HydrophobicContact CG1-CE2 3.86Å; I129-K188 HydrophobicContact CD1-CB 4.14Å; I129-K188 HydrophobicContact CD1-CG 4.5Å; I129-F191 HydrophobicContact CB-CB 4.29Å; I129-F191 HydrophobicContact CD1-CB 4.08Å; I129-F191 HydrophobicContact CD1-CD1 3.8Å; I129-F191 HydrophobicContact CD1-CG 4.07Å; I129-F191 HydrophobicContact CG2-CB 4.14Å; I129-F191 HydrophobicContact CG2-CD1 4.49Å; I129-F191 HydrophobicContact CG2-CD2 4.1Å; I129-F191 HydrophobicContact CG2-CG 3.96Å
130Q96.9Very high97.2Very high68 Ų6857.4 Ų57.432%0.31830%0.302SS..Hα-helixtrans-62.6-49.1175.4-73.4170.7-17.400111.8K14 N15 V126 S128 I132 S133 Q134K14-Q130 PolarHBondContact O-NE2 3.2Å; N15-Q130 HydrophobicContact CB-CG 4.2Å; V126-Q130 WeakPolarHBondContact O-CB 3.16Å; V126-Q130 VanDerWaalsContact O-CG 3.28Å; V126-Q130 WeakPolarHBondContact O-CG 3.46Å; V126-Q130 PolarHBondContact O-N 3.46Å; V126-Q130 VanDerWaalsContact O-N 3.07Å; S128-Q130 PolarHBondContact O-N 3.37Å; Q130-I132 PolarHBondContact O-N 3.24Å; Q130-S133 PolarHBondContact O-N 3.36Å; Q130-Q134 PolarHBondContact O-N 3.42Å
131S97.5Very high97.2Very high72 Ų7260.4 Ų60.450%0.50331%0.31SS..Hα-helixtrans-62.6-42.5178.7-178.90000112.7Q127 S128 S135Q127-S131 VanDerWaalsContact O-CB 3.24Å; Q127-S131 WeakPolarHBondContact O-CB 3.06Å; Q127-S131 PolarHBondContact O-N 2.92Å; S128-S131 PolarHBondContact O-N 2.78Å; S131-S135 WeakPolarHBondContact O-CB 3.46Å; S131-S135 PolarHBondContact O-N 3.41Å; S131-S135 PolarHBondContact O-OG 2.76Å
132I97.3Very high97.1Very high32 Ų3260.6 Ų60.616%0.16431%0.307CS..Hα-helixtrans-69.1-36.8177.1-68.4167.7000110.9S128 Q130 S135 L136 K183 Y184 A187S128-I132 WeakPolarHBondContact O-CB 3.3Å; S128-I132 VanDerWaalsContact O-CG1 3.28Å; S128-I132 WeakPolarHBondContact O-CG1 3.49Å; S128-I132 PolarHBondContact O-N 2.93Å; Q130-I132 PolarHBondContact O-N 3.24Å; I132-S135 PolarHBondContact O-N 2.66Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 PolarHBondContact O-N 3.12Å; I132-K183 HydrophobicContact CG2-CB 4.28Å; I132-Y184 HydrophobicContact CG2-CD2 4.39Å; I132-A187 HydrophobicContact CD1-CB 3.61Å
133S96.7Very high97Very high33 Ų3363.4 Ų63.423%0.23132%0.318CS..Hα-helixtrans-63.2-44.4175.7-61.10000112.4I129 Q130 S135 L136 Q137 Y184I129-S133 VanDerWaalsContact O-CB 3.25Å; I129-S133 WeakPolarHBondContact O-CB 3.49Å; I129-S133 PolarHBondContact O-N 2.84Å; I129-S133 PolarHBondContact O-OG 3.37Å; Q130-S133 PolarHBondContact O-N 3.36Å; S133-S135 VanDerWaalsContact C-N 3.34Å; S133-S135 PolarHBondContact O-N 3.13Å; S133-L136 WeakPolarHBondContact O-CB 3.2Å; S133-L136 PolarHBondContact O-N 2.82Å; S133-Q137 PolarHBondContact O-N 3.11Å; S133-Y184 VanDerWaalsContact OG-CE2 3.27Å; S133-Y184 WeakPolarHBondContact OG-CE2 2.99Å
134Q96.4Very high96.9Very high148 Ų14864.6 Ų64.669%0.69232%0.324SS*.Hα-helixtrans-63.7-41.7175.2-168.7-174.381.400111.4Q130 Q137 K138Q130-Q134 PolarHBondContact O-N 3.42Å; Q134-Q137 PolarHBondContact O-N 3.4Å; Q134-K138 WeakPolarHBondContact O-CB 3.24Å; Q134-K138 PolarHBondContact O-N 2.88Å
135S96.6Very high96.8Very high35 Ų3561 Ų6125%0.24532%0.317CS..Hα-helixtrans-65.8-40.9177.4-600000112.6S131 I132 S133 S139 Y180S131-S135 WeakPolarHBondContact O-CB 3.46Å; S131-S135 PolarHBondContact O-N 3.41Å; S131-S135 PolarHBondContact O-OG 2.76Å; I132-S135 PolarHBondContact O-N 2.66Å; S133-S135 VanDerWaalsContact C-N 3.34Å; S133-S135 PolarHBondContact O-N 3.13Å; S135-S139 WeakPolarHBondContact O-CB 3.28Å; S135-S139 PolarHBondContact O-N 2.83Å; S135-S139 PolarHBondContact O-OG 2.97Å; S135-Y180 VanDerWaalsContact CB-CE1 3.48Å
136L97.3Very high96.7Very high32 Ų3264.6 Ų64.617%0.16833%0.332CS..Hα-helixtrans-57.5-54.2173.8176.778.2000110.7I132 S133 K138 S139 K140 Y177 V181 Y184I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 PolarHBondContact O-N 3.12Å; S133-L136 WeakPolarHBondContact O-CB 3.2Å; S133-L136 PolarHBondContact O-N 2.82Å; L136-K138 PolarHBondContact O-N 3.43Å; L136-S139 PolarHBondContact O-N 3.44Å; L136-S139 VanDerWaalsContact O-N 3.12Å; L136-S139 PolarHBondContact O-OG 2.79Å; L136-K140 WeakPolarHBondContact O-CB 3.41Å; L136-K140 PolarHBondContact O-N 3.26Å; L136-Y177 HydrophobicContact CD1-CD2 4.07Å; L136-Y177 HydrophobicContact CD1-CE2 3.71Å; L136-Y177 HydrophobicContact CG-CE2 4.33Å; L136-V181 HydrophobicContact CD1-CB 4.36Å; L136-V181 HydrophobicContact CD1-CG2 3.71Å; L136-Y184 HydrophobicContact CD2-CD1 4.32Å; L136-Y184 HydrophobicContact CD2-CD2 4.36Å; L136-Y184 HydrophobicContact CD2-CG 4.02Å
137Q96.1Very high96.4Very high83 Ų8366.6 Ų66.639%0.38834%0.344SS..Hα-helixtrans-60.9-45.1-179178.358.721.700111.7S133 Q134 S139 K140 E141S133-Q137 PolarHBondContact O-N 3.11Å; Q134-Q137 PolarHBondContact O-N 3.4Å; Q137-S139 VanDerWaalsContact C-N 3.29Å; Q137-S139 PolarHBondContact O-N 2.91Å; Q137-K140 WeakPolarHBondContact O-CB 3.39Å; Q137-K140 PolarHBondContact O-N 3.16Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.32Å; Q137-E141 PolarHBondContact NE2-OE1 2.89Å; Q137-E141 WeakPolarHBondContact O-CG 3.24Å; Q137-E141 PolarHBondContact O-N 3Å
138K96.9Very high96.2Very high154 Ų15466.1 Ų66.167%0.6735%0.349SS*.Hα-helixtrans-60.6-36174.5-171.3173.5-175.7172.90112.8Q134 L136 N142Q134-K138 WeakPolarHBondContact O-CB 3.24Å; Q134-K138 PolarHBondContact O-N 2.88Å; L136-K138 PolarHBondContact O-N 3.43Å; K138-N142 WeakPolarHBondContact O-CB 3.33Å; K138-N142 PolarHBondContact O-N 3.44Å; K138-N142 VanDerWaalsContact O-N 3.13Å
139S97.1Very high95.9Very high8 Ų867.2 Ų67.26%0.05635%0.348CS..Hα-helixtrans-71.7-37.5176.278.40000112.8S135 L136 Q137 N142 Y143 Y177S135-S139 WeakPolarHBondContact O-CB 3.28Å; S135-S139 PolarHBondContact O-N 2.83Å; S135-S139 PolarHBondContact O-OG 2.97Å; L136-S139 PolarHBondContact O-N 3.44Å; L136-S139 VanDerWaalsContact O-N 3.12Å; L136-S139 PolarHBondContact O-OG 2.79Å; Q137-S139 VanDerWaalsContact C-N 3.29Å; Q137-S139 PolarHBondContact O-N 2.91Å; S139-N142 PolarHBondContact O-N 3.23Å; S139-Y143 WeakPolarHBondContact O-CB 3.46Å; S139-Y143 PolarHBondContact O-N 2.88Å; S139-Y177 WeakPolarHBondContact OG-CD2 3.42Å
140K96.8Very high95.6Very high82 Ų8269.9 Ų69.936%0.35736%0.361SS..Hα-helixtrans-64.6-44.9175.3-179.1-174.4175.3-170.60111.8L136 Q137 Y143 N144 Y177L136-K140 WeakPolarHBondContact O-CB 3.41Å; L136-K140 PolarHBondContact O-N 3.26Å; Q137-K140 WeakPolarHBondContact O-CB 3.39Å; Q137-K140 PolarHBondContact O-N 3.16Å; K140-Y143 WeakPolarHBondContact O-CB 3.35Å; K140-Y143 PolarHBondContact O-N 2.9Å; K140-N144 VanDerWaalsContact O-CG 3.28Å; K140-N144 PolarHBondContact O-N 2.85Å; K140-Y177 HydrophobicContact CB-CD2 4.01Å; K140-Y177 HydrophobicContact CB-CE1 4.45Å; K140-Y177 HydrophobicContact CB-CE2 3.69Å; K140-Y177 HydrophobicContact CD-CE2 4.43Å; K140-Y177 HydrophobicContact CG-CE1 4.23Å; K140-Y177 HydrophobicContact CG-CE2 4.1Å
141E96.3Very high95.3Very high103 Ų10369.9 Ų69.948%0.48136%0.361SS..Hα-helixtrans-61.7-45.1173.6-73167.3-166.900111.9Q137 N144 A145Q137-E141 WeakPolarHBondContact CG-OE1 3.32Å; Q137-E141 PolarHBondContact NE2-OE1 2.89Å; Q137-E141 WeakPolarHBondContact O-CG 3.24Å; Q137-E141 PolarHBondContact O-N 3Å; E141-N144 PolarHBondContact O-N 3.01Å; E141-A145 WeakPolarHBondContact O-CB 3.22Å; E141-A145 PolarHBondContact O-N 2.85Å
142N95.9Very high95.1Very high66 Ų6671 Ų7135%0.35335%0.354SS..Hα-helixtrans-63.8-40.4175.6174.568.7000112.3K138 S139 A145 K146K138-N142 WeakPolarHBondContact O-CB 3.33Å; K138-N142 PolarHBondContact O-N 3.44Å; K138-N142 VanDerWaalsContact O-N 3.13Å; S139-N142 PolarHBondContact O-N 3.23Å; N142-A145 PolarHBondContact O-N 2.86Å; N142-K146 WeakPolarHBondContact O-CG 3.27Å; N142-K146 PolarHBondContact O-N 2.63Å; N142-K146 VanDerWaalsContact OD1-CE 3.23Å; N142-K146 WeakPolarHBondContact OD1-CE 3.5Å
143Y96.2Very high94.7Very high66 Ų6671 Ų7126%0.25935%0.354SS..Hα-helixtrans-56.9-56.5172.3157.1-119.1000111.2S139 K140 A145 K146 T147 I174 Y177S139-Y143 WeakPolarHBondContact O-CB 3.46Å; S139-Y143 PolarHBondContact O-N 2.88Å; K140-Y143 WeakPolarHBondContact O-CB 3.35Å; K140-Y143 PolarHBondContact O-N 2.9Å; Y143-A145 VanDerWaalsContact C-N 3.27Å; Y143-A145 PolarHBondContact O-N 2.81Å; Y143-K146 PolarHBondContact O-N 3.47Å; Y143-T147 WeakPolarHBondContact CE2-OG1 3.28Å; Y143-T147 PolarHBondContact O-N 2.83Å; Y143-I174 HydrophobicContact CD2-CD1 4.46Å; Y143-I174 HydrophobicContact CD2-CG1 3.47Å; Y143-I174 VanDerWaalsContact CD2-CG1 3.47Å; Y143-I174 HydrophobicContact CE2-CD1 3.94Å; Y143-I174 HydrophobicContact CE2-CG1 3.33Å; Y143-Y177 AromaticContact CD1-CD1 3.74Å; Y143-Y177 HydrophobicContact CD1-CD1 3.74Å; Y143-Y177 HydrophobicContact CD1-CE1 4.14Å; Y143-Y177 HydrophobicContact CE1-CD1 4.36Å; Y143-Y177 HydrophobicContact CG-CD1 4.23Å
144N95.2Very high94.4Very high80 Ų8077.7 Ų77.743%0.42837%0.374SS..Hα-helixtrans-52.9-46.6177.7-70-15.8000111.2K140 E141 K146 T147 V148K140-N144 VanDerWaalsContact O-CG 3.28Å; K140-N144 PolarHBondContact O-N 2.85Å; E141-N144 PolarHBondContact O-N 3.01Å; N144-K146 PolarHBondContact O-N 3.1Å; N144-T147 PolarHBondContact O-N 3.48Å; N144-V148 WeakPolarHBondContact O-CB 3.42Å; N144-V148 WeakPolarHBondContact O-CG2 3.04Å; N144-V148 PolarHBondContact O-N 3.05Å
145A95.6Very high94.1Very high54 Ų5478.2 Ų78.245%0.44637%0.374SS..Hα-helixtrans-63.8-33.6178.900000113.7E141 N142 Y143 E149E141-A145 WeakPolarHBondContact O-CB 3.22Å; E141-A145 PolarHBondContact O-N 2.85Å; N142-A145 PolarHBondContact O-N 2.86Å; Y143-A145 VanDerWaalsContact C-N 3.27Å; Y143-A145 PolarHBondContact O-N 2.81Å; A145-E149 WeakPolarHBondContact O-CB 3.47Å; A145-E149 PolarHBondContact O-N 2.88Å
146K94.9Very high93.9Very high79 Ų7982.3 Ų82.334%0.34339%0.389SS..Hα-helixtrans-76.6-36.1175.7-62.3-34.2174.4-158.40112.5N142 Y143 N144 E149 Q150 A170 A173N142-K146 WeakPolarHBondContact O-CG 3.27Å; N142-K146 PolarHBondContact O-N 2.63Å; N142-K146 VanDerWaalsContact OD1-CE 3.23Å; N142-K146 WeakPolarHBondContact OD1-CE 3.5Å; Y143-K146 PolarHBondContact O-N 3.47Å; N144-K146 PolarHBondContact O-N 3.1Å; K146-E149 PolarHBondContact O-N 2.81Å; K146-Q150 WeakPolarHBondContact O-CB 3.4Å; K146-Q150 PolarHBondContact O-N 3.34Å; K146-A170 HydrophobicContact CB-CB 4.08Å; K146-A173 HydrophobicContact CB-CB 4.33Å; K146-A173 HydrophobicContact CG-CB 4.09Å
147T92.2Very high93.3Very high42 Ų4284 Ų8426%0.25842%0.415SS..Hα-helixtrans-68.6-41.5175.6-67.70000111.9Y143 N144 E149 Q150 E151Y143-T147 WeakPolarHBondContact CE2-OG1 3.28Å; Y143-T147 PolarHBondContact O-N 2.83Å; N144-T147 PolarHBondContact O-N 3.48Å; T147-E149 PolarHBondContact O-N 2.76Å; T147-Q150 PolarHBondContact O-N 2.9Å; T147-E151 PolarHBondContact O-N 2.92Å
148V93.5Very high92.9Very high101 Ų10181.7 Ų81.761%0.61241%0.41SS*.Hα-helixtrans-62-42.7173.4171.10000111.4N144 E151 R152N144-V148 WeakPolarHBondContact O-CB 3.42Å; N144-V148 WeakPolarHBondContact O-CG2 3.04Å; N144-V148 PolarHBondContact O-N 3.05Å; V148-E151 PolarHBondContact O-N 2.98Å; V148-R152 WeakPolarHBondContact O-CB 3.22Å; V148-R152 PolarHBondContact O-N 2.93Å
149E92Very high92.5Very high72 Ų7278.2 Ų78.234%0.33640%0.401SS..Hα-helixtrans-65.5-39.3177.6178.760.5-171.900112.9A145 K146 T147 R152 L153A145-E149 WeakPolarHBondContact O-CB 3.47Å; A145-E149 PolarHBondContact O-N 2.88Å; K146-E149 PolarHBondContact O-N 2.81Å; T147-E149 PolarHBondContact O-N 2.76Å; E149-R152 PolarHBondContact O-N 3.36Å; E149-R152 IonicContact OE1-CZ 3.69Å; E149-R152 IonicContact OE1-NE 3.47Å; E149-R152 IonicContact OE1-NH2 3.99Å; E149-R152 PolarHBondContact OE1-NH2 2.86Å; E149-R152 IonicContact OE2-CZ 2.65Å; E149-R152 IonicContact OE2-NE 2.74Å; E149-R152 PolarHBondContact OE2-NE 3.12Å; E149-R152 IonicContact OE2-NH2 2.73Å; E149-R152 PolarHBondContact OE2-NH2 3.05Å; E149-L153 HydrophobicContact CG-CD1 4.23Å; E149-L153 WeakPolarHBondContact O-CG 3.43Å; E149-L153 PolarHBondContact O-N 2.87Å
150Q90Very high92.1Very high58 Ų5884 Ų8427%0.27143%0.427SS..Hα-helixtrans-62-45.7174.3-176.8-174.6-1.600111.5K146 T147 R152 R154 A166 G167 A170K146-Q150 WeakPolarHBondContact O-CB 3.4Å; K146-Q150 PolarHBondContact O-N 3.34Å; T147-Q150 PolarHBondContact O-N 2.9Å; Q150-R152 VanDerWaalsContact C-N 3.34Å; Q150-R154 WeakPolarHBondContact O-CB 3.48Å; Q150-R154 PolarHBondContact O-N 3.28Å; Q150-A166 HydrophobicContact CB-CB 4.22Å; Q150-A166 HydrophobicContact CG-CB 4.37Å; Q150-G167 VanDerWaalsContact CD-CA 3.48Å; Q150-A170 VanDerWaalsContact OE1-CB 3.27Å
151E90.4Very high91.7Very high68 Ų6889.8 Ų89.832%0.31845%0.447SS..Hα-helixtrans-68.4-30.9177.4-84.2-66.7115.800113.2T147 V148 R154 K155T147-E151 PolarHBondContact O-N 2.92Å; V148-E151 PolarHBondContact O-N 2.98Å; E151-R154 WeakPolarHBondContact OE1-CD 3.37Å; E151-K155 WeakPolarHBondContact O-CB 3.03Å; E151-K155 WeakPolarHBondContact O-CD 3.21Å; E151-K155 VanDerWaalsContact O-CG 3.32Å; E151-K155 WeakPolarHBondContact O-CG 3.39Å; E151-K155 PolarHBondContact O-N 3.28Å; E151-K155 VanDerWaalsContact O-N 3.17Å; E151-K155 WeakPolarHBondContact OE2-CE 3.24Å; E151-K155 IonicContact OE2-NZ 2.72Å; E151-K155 PolarHBondContact OE2-NZ 2.84Å
152R92.8Very high91.4Very high96 Ų9687.9 Ų87.936%0.36244%0.44SS..Hα-helixtrans-64.3-54.4173.3-172.6-173.672.7779.9110.7V148 E149 Q150 R154 K155 E156V148-R152 WeakPolarHBondContact O-CB 3.22Å; V148-R152 PolarHBondContact O-N 2.93Å; E149-R152 PolarHBondContact O-N 3.36Å; E149-R152 IonicContact OE1-CZ 3.69Å; E149-R152 IonicContact OE1-NE 3.47Å; E149-R152 IonicContact OE1-NH2 3.99Å; E149-R152 PolarHBondContact OE1-NH2 2.86Å; E149-R152 IonicContact OE2-CZ 2.65Å; E149-R152 IonicContact OE2-NE 2.74Å; E149-R152 PolarHBondContact OE2-NE 3.12Å; E149-R152 IonicContact OE2-NH2 2.73Å; E149-R152 PolarHBondContact OE2-NH2 3.05Å; Q150-R152 VanDerWaalsContact C-N 3.34Å; R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 3.22Å; R152-K155 PolarHBondContact O-N 2.87Å; R152-E156 WeakPolarHBondContact CD-OE1 3.41Å; R152-E156 WeakPolarHBondContact CG-OE1 3.43Å; R152-E156 IonicContact CZ-OE1 3.25Å; R152-E156 IonicContact CZ-OE2 3.86Å; R152-E156 IonicContact NE-OE1 2.66Å; R152-E156 IonicContact NH1-OE1 2.67Å; R152-E156 PolarHBondContact NH1-OE1 3.32Å; R152-E156 IonicContact NH1-OE2 2.79Å; R152-E156 PolarHBondContact NH1-OE2 3.46Å; R152-E156 WeakPolarHBondContact O-CG 3.15Å; R152-E156 PolarHBondContact O-N 2.7Å
153L90.6Very high91Very high30 Ų3085.4 Ų85.416%0.15743%0.428CS..Hα-helixtrans-59.1-36.7178-69.9167.4000112.4E149 K155 A158 V163 A166E149-L153 HydrophobicContact CG-CD1 4.23Å; E149-L153 WeakPolarHBondContact O-CG 3.43Å; E149-L153 PolarHBondContact O-N 2.87Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 2.92Å; L153-A158 HydrophobicContact CB-CB 4.12Å; L153-A158 HydrophobicContact CD2-CB 3.98Å; L153-A158 WeakPolarHBondContact O-CB 3.13Å; L153-A158 PolarHBondContact O-N 3.46Å; L153-V163 HydrophobicContact CB-CG2 4.3Å; L153-A166 HydrophobicContact CD1-CB 3.71Å
154R89.3Confident90.8Very high175 Ų17586.4 Ų86.466%0.6644%0.438SS*.Hα-helixtrans-62.6-36.8173.8-174.4-178-178.8129.78.9112.9Q150 E151 R152 V163Q150-R154 WeakPolarHBondContact O-CB 3.48Å; Q150-R154 PolarHBondContact O-N 3.28Å; E151-R154 WeakPolarHBondContact OE1-CD 3.37Å; R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 3.22Å; R154-V163 HydrophobicContact CB-CG1 4.42Å
155K90.9Very high90.7Very high158 Ų15888.5 Ų88.569%0.68744%0.443SS*.Hα-helixtrans-86.1-25.4-176.5-73.4165.9-171.8156.40113.6E151 R152 L153 G157E151-K155 WeakPolarHBondContact O-CB 3.03Å; E151-K155 WeakPolarHBondContact O-CD 3.21Å; E151-K155 VanDerWaalsContact O-CG 3.32Å; E151-K155 WeakPolarHBondContact O-CG 3.39Å; E151-K155 PolarHBondContact O-N 3.28Å; E151-K155 VanDerWaalsContact O-N 3.17Å; E151-K155 WeakPolarHBondContact OE2-CE 3.24Å; E151-K155 IonicContact OE2-NZ 2.72Å; E151-K155 PolarHBondContact OE2-NZ 2.84Å; R152-K155 PolarHBondContact O-N 2.87Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 2.92Å; K155-G157 VanDerWaalsContact C-N 3.29Å
156E91.3Very high90.5Very high121 Ų12186.3 Ų86.357%0.56543%0.425SS*.THydrogen-bonded Turntrans-82.2-2.3176.1-70.8173-168.800113.8R152R152-E156 WeakPolarHBondContact CD-OE1 3.41Å; R152-E156 WeakPolarHBondContact CG-OE1 3.43Å; R152-E156 IonicContact CZ-OE1 3.25Å; R152-E156 IonicContact CZ-OE2 3.86Å; R152-E156 IonicContact NE-OE1 2.66Å; R152-E156 IonicContact NH1-OE1 2.67Å; R152-E156 PolarHBondContact NH1-OE1 3.32Å; R152-E156 IonicContact NH1-OE2 2.79Å; R152-E156 PolarHBondContact NH1-OE2 3.46Å; R152-E156 WeakPolarHBondContact O-CG 3.15Å; R152-E156 PolarHBondContact O-N 2.7Å
157G84.9Confident90.3Very high68 Ų6883.3 Ų83.370%0.70142%0.416SS*.THydrogen-bonded Turntrans73.428.3-179.700000114K155K155-G157 VanDerWaalsContact C-N 3.29Å
158A88.2Confident90.4Very high34 Ų3486.3 Ų86.328%0.28143%0.434SS..  trans-60.8159.8175.100000111.9L153 Q160 V163L153-A158 HydrophobicContact CB-CB 4.12Å; L153-A158 HydrophobicContact CD2-CB 3.98Å; L153-A158 WeakPolarHBondContact O-CB 3.13Å; L153-A158 PolarHBondContact O-N 3.46Å; A158-Q160 PolarHBondContact O-N 3.13Å; A158-V163 HydrophobicContact CB-CG2 4.28Å
159T89.4Confident90.4Very high81 Ų8187.5 Ų87.550%0.49743%0.431SS..  trans-59.5142.7-178.789.50000111R161 D162 V163T159-R161 PolarHBondContact O-N 2.88Å; T159-R161 VanDerWaalsContact O-N 3.12Å; T159-D162 PolarHBondContact O-N 3.46Å; T159-D162 PolarHBondContact OG1-N 3.35Å; T159-D162 PolarHBondContact OG1-OD2 2.82Å; T159-V163 PolarHBondContact O-N 3.2Å
160Q87.2Confident90.5Very high129 Ų12984.1 Ų84.160%0.60342%0.415SS*.Hα-helixtrans-51.7-40.7179.7-175.560.348.100111.6A158 D162 V163 D164A158-Q160 PolarHBondContact O-N 3.13Å; Q160-D162 VanDerWaalsContact C-N 3.28Å; Q160-D162 PolarHBondContact O-N 2.92Å; Q160-V163 PolarHBondContact O-N 3.33Å; Q160-D164 PolarHBondContact NE2-OD1 3.33Å; Q160-D164 PolarHBondContact NE2-OD2 3.1Å; Q160-D164 WeakPolarHBondContact O-CB 3.48Å; Q160-D164 PolarHBondContact O-N 3.2Å
161R89.8Confident90.7Very high205 Ų20587.7 Ų87.777%0.77443%0.43SS*.Hα-helixtrans-57.4-36.3176.2-173.5-176.1-175.6-163.63.6113.3T159 K165T159-R161 PolarHBondContact O-N 2.88Å; T159-R161 VanDerWaalsContact O-N 3.12Å; R161-K165 WeakPolarHBondContact O-CB 3.3Å; R161-K165 PolarHBondContact O-N 3.01Å; R161-K165 VanDerWaalsContact O-N 3.14Å
162D88.4Confident90.9Very high62 Ų6291.3 Ų91.333%0.33245%0.445SS..Hα-helixtrans-81.8-34.4178.6-66.2-59.2000112.2T159 Q160 K165 A166T159-D162 PolarHBondContact O-N 3.46Å; T159-D162 PolarHBondContact OG1-N 3.35Å; T159-D162 PolarHBondContact OG1-OD2 2.82Å; Q160-D162 VanDerWaalsContact C-N 3.28Å; Q160-D162 PolarHBondContact O-N 2.92Å; D162-K165 PolarHBondContact O-N 3.47Å; D162-K165 IonicContact OD1-NZ 3.42Å; D162-A166 WeakPolarHBondContact O-CB 3.47Å; D162-A166 PolarHBondContact O-N 2.9Å
163V88.9Confident91Very high15 Ų1586.9 Ų86.99%0.09143%0.429CS..Hα-helixtrans-63.4-44.2171.1179.40000110.8L153 R154 A158 T159 Q160 A166 G167L153-V163 HydrophobicContact CB-CG2 4.3Å; R154-V163 HydrophobicContact CB-CG1 4.42Å; A158-V163 HydrophobicContact CB-CG2 4.28Å; T159-V163 PolarHBondContact O-N 3.2Å; Q160-V163 PolarHBondContact O-N 3.33Å; V163-A166 WeakPolarHBondContact O-CB 3.45Å; V163-A166 PolarHBondContact O-N 3.08Å; V163-G167 PolarHBondContact O-N 2.97Å
164D91.4Very high91.3Very high87 Ų8788.3 Ų88.347%0.46544%0.436SS..Hα-helixtrans-64-43.2176.1-65.2-27.6000111.4Q160 A166 G167 V168Q160-D164 PolarHBondContact NE2-OD1 3.33Å; Q160-D164 PolarHBondContact NE2-OD2 3.1Å; Q160-D164 WeakPolarHBondContact O-CB 3.48Å; Q160-D164 PolarHBondContact O-N 3.2Å; D164-A166 VanDerWaalsContact C-N 3.28Å; D164-A166 PolarHBondContact O-N 2.99Å; D164-G167 CarbonylContact O-C 3.57Å; D164-G167 WeakPolarHBondContact O-CA 3.27Å; D164-G167 PolarHBondContact O-N 3.3Å; D164-G167 VanDerWaalsContact O-N 3.08Å; D164-V168 WeakPolarHBondContact O-CG2 3.42Å; D164-V168 PolarHBondContact O-N 3.28Å
165K93.4Very high91.6Very high123 Ų12384.7 Ų84.754%0.53543%0.427SS..Hα-helixtrans-63.7-30175.2-176.1-174.8-175.4-175.60112.7R161 D162 K169R161-K165 WeakPolarHBondContact O-CB 3.3Å; R161-K165 PolarHBondContact O-N 3.01Å; R161-K165 VanDerWaalsContact O-N 3.14Å; D162-K165 PolarHBondContact O-N 3.47Å; D162-K165 IonicContact OD1-NZ 3.42Å; K165-K169 WeakPolarHBondContact O-CG 3.44Å
166A90.3Very high91.9Very high9 Ų979.9 Ų79.97%0.07441%0.411CS..Hα-helixtrans-74-41.8168.800000111.5Q150 L153 D162 V163 D164 V168 K169 A170Q150-A166 HydrophobicContact CB-CB 4.22Å; Q150-A166 HydrophobicContact CG-CB 4.37Å; L153-A166 HydrophobicContact CD1-CB 3.71Å; D162-A166 WeakPolarHBondContact O-CB 3.47Å; D162-A166 PolarHBondContact O-N 2.9Å; V163-A166 WeakPolarHBondContact O-CB 3.45Å; V163-A166 PolarHBondContact O-N 3.08Å; D164-A166 VanDerWaalsContact C-N 3.28Å; D164-A166 PolarHBondContact O-N 2.99Å; A166-V168 PolarHBondContact O-N 2.92Å; A166-K169 WeakPolarHBondContact O-CA 3.39Å; A166-K169 WeakPolarHBondContact O-CB 3.35Å; A166-K169 PolarHBondContact O-N 2.69Å; A166-A170 PolarHBondContact O-N 3.41Å
167G90.8Very high92.2Very high16 Ų1677 Ų7717%0.16540%0.395CS..Hα-helixtrans-58.7-40.7175.500000113.9Q150 V163 D164 K169 A170 K171Q150-G167 VanDerWaalsContact CD-CA 3.48Å; V163-G167 PolarHBondContact O-N 2.97Å; D164-G167 CarbonylContact O-C 3.57Å; D164-G167 WeakPolarHBondContact O-CA 3.27Å; D164-G167 PolarHBondContact O-N 3.3Å; D164-G167 VanDerWaalsContact O-N 3.08Å; G167-K169 VanDerWaalsContact C-N 3.32Å; G167-K169 PolarHBondContact O-N 2.72Å; G167-A170 PolarHBondContact O-N 3.14Å; G167-K171 WeakPolarHBondContact O-CB 3.48Å; G167-K171 PolarHBondContact O-N 3.47Å
168V94.9Very high92.7Very high104 Ų10479.8 Ų79.863%0.6339%0.388SS*.Hα-helixtrans-62-39.3173.1173.30000111.5D164 A166 K172D164-V168 WeakPolarHBondContact O-CG2 3.42Å; D164-V168 PolarHBondContact O-N 3.28Å; A166-V168 PolarHBondContact O-N 2.92Å; V168-K172 PolarHBondContact O-N 3.22Å
169K94.1Very high93.2Very high126 Ų12680.2 Ų80.255%0.54839%0.388SS..Hα-helixtrans-67.9-39.5175.7-68.1170.2-179.4176.50112K165 A166 G167 A173K165-K169 WeakPolarHBondContact O-CG 3.44Å; A166-K169 WeakPolarHBondContact O-CA 3.39Å; A166-K169 WeakPolarHBondContact O-CB 3.35Å; A166-K169 PolarHBondContact O-N 2.69Å; G167-K169 VanDerWaalsContact C-N 3.32Å; G167-K169 PolarHBondContact O-N 2.72Å; K169-A173 WeakPolarHBondContact O-CB 3.46Å; K169-A173 PolarHBondContact O-N 3.27Å; K169-A173 VanDerWaalsContact O-N 3.08Å
170A92.9Very high93.6Very high1 Ų179.7 Ų79.71%0.00838%0.378CS..Hα-helixtrans-66.2-44.5175.300000111.5K146 Q150 A166 G167 K172 A173 I174K146-A170 HydrophobicContact CB-CB 4.08Å; Q150-A170 VanDerWaalsContact OE1-CB 3.27Å; A166-A170 PolarHBondContact O-N 3.41Å; G167-A170 PolarHBondContact O-N 3.14Å; A170-K172 PolarHBondContact O-N 3.07Å; A170-A173 WeakPolarHBondContact O-CA 3.27Å; A170-A173 WeakPolarHBondContact O-CB 3.24Å; A170-A173 PolarHBondContact O-N 3.17Å; A170-A173 VanDerWaalsContact O-N 3.08Å; A170-I174 WeakPolarHBondContact O-CG1 3.36Å; A170-I174 PolarHBondContact O-N 3.47Å
171K94.4Very high94.1Very high133 Ų13376.7 Ų76.758%0.57837%0.368SS*.Hα-helixtrans-58.6-47.3175.4-170.8-179.5177.6-171.70112G167 A173 I174 E175G167-K171 WeakPolarHBondContact O-CB 3.48Å; G167-K171 PolarHBondContact O-N 3.47Å; K171-A173 VanDerWaalsContact C-N 3.26Å; K171-A173 PolarHBondContact O-N 3.16Å; K171-I174 WeakPolarHBondContact O-CB 3.43Å; K171-I174 PolarHBondContact O-N 3.13Å; K171-I174 VanDerWaalsContact O-N 3.13Å; K171-E175 WeakPolarHBondContact CE-OE1 3.42Å; K171-E175 WeakPolarHBondContact CG-OE1 3.42Å; K171-E175 WeakPolarHBondContact O-CG 3.47Å; K171-E175 PolarHBondContact O-N 3.04Å
172K95.8Very high94.4Very high144 Ų14472.8 Ų72.863%0.62636%0.359SS*.Hα-helixtrans-61.3-34174.6-174.4168.6-177.31710112.7V168 A170 T176V168-K172 PolarHBondContact O-N 3.22Å; A170-K172 PolarHBondContact O-N 3.07Å; K172-T176 WeakPolarHBondContact O-CB 3.41Å; K172-T176 PolarHBondContact O-N 3.45Å; K172-T176 PolarHBondContact O-OG1 2.89Å
173A94.6Very high94.8Very high3 Ų374.8 Ų74.83%0.02537%0.365CS..Hα-helixtrans-70.7-36.9174.900000112.6K146 K169 A170 K171 T176 Y177K146-A173 HydrophobicContact CB-CB 4.33Å; K146-A173 HydrophobicContact CG-CB 4.09Å; K169-A173 WeakPolarHBondContact O-CB 3.46Å; K169-A173 PolarHBondContact O-N 3.27Å; K169-A173 VanDerWaalsContact O-N 3.08Å; A170-A173 WeakPolarHBondContact O-CA 3.27Å; A170-A173 WeakPolarHBondContact O-CB 3.24Å; A170-A173 PolarHBondContact O-N 3.17Å; A170-A173 VanDerWaalsContact O-N 3.08Å; K171-A173 VanDerWaalsContact C-N 3.26Å; K171-A173 PolarHBondContact O-N 3.16Å; A173-T176 PolarHBondContact O-N 3.1Å; A173-Y177 WeakPolarHBondContact O-CB 3.2Å; A173-Y177 PolarHBondContact O-N 2.86Å
174I96Very high95.3Very high61 Ų6177.6 Ų77.631%0.31337%0.374SS..Hα-helixtrans-61.1-49.2171.5-67.5164.1000110.6Y143 A170 K171 T176 Y177 K178Y143-I174 HydrophobicContact CD2-CD1 4.46Å; Y143-I174 HydrophobicContact CD2-CG1 3.47Å; Y143-I174 VanDerWaalsContact CD2-CG1 3.47Å; Y143-I174 HydrophobicContact CE2-CD1 3.94Å; Y143-I174 HydrophobicContact CE2-CG1 3.33Å; A170-I174 WeakPolarHBondContact O-CG1 3.36Å; A170-I174 PolarHBondContact O-N 3.47Å; K171-I174 WeakPolarHBondContact O-CB 3.43Å; K171-I174 PolarHBondContact O-N 3.13Å; K171-I174 VanDerWaalsContact O-N 3.13Å; I174-T176 VanDerWaalsContact C-N 3.31Å; I174-T176 PolarHBondContact O-N 3.45Å; I174-Y177 PolarHBondContact O-N 2.85Å; I174-K178 HydrophobicContact CG2-CD 4.27Å; I174-K178 HydrophobicContact CG2-CG 4.44Å; I174-K178 WeakPolarHBondContact O-CG 3.4Å; I174-K178 PolarHBondContact O-N 3.25Å
175E96.6Very high95.5Very high99 Ų9976.2 Ų76.246%0.46338%0.375SS..Hα-helixtrans-60.3-42178.6-70.1160.8179.200111.3K171 S179K171-E175 WeakPolarHBondContact CE-OE1 3.42Å; K171-E175 WeakPolarHBondContact CG-OE1 3.42Å; K171-E175 WeakPolarHBondContact O-CG 3.47Å; K171-E175 PolarHBondContact O-N 3.04Å; E175-S179 PolarHBondContact O-N 2.8Å; E175-S179 VanDerWaalsContact O-N 3.11Å
176T96.1Very high95.7Very high57 Ų5774.3 Ų74.335%0.3538%0.377SS..Hα-helixtrans-62.8-46.9174.8-54.50000111.7K172 A173 I174 S179 Y180K172-T176 WeakPolarHBondContact O-CB 3.41Å; K172-T176 PolarHBondContact O-N 3.45Å; K172-T176 PolarHBondContact O-OG1 2.89Å; A173-T176 PolarHBondContact O-N 3.1Å; I174-T176 VanDerWaalsContact C-N 3.31Å; I174-T176 PolarHBondContact O-N 3.45Å; T176-S179 PolarHBondContact O-N 3.5Å; T176-Y180 HydrophobicContact CG2-CD2 4.06Å; T176-Y180 HydrophobicContact CG2-CE2 3.89Å; T176-Y180 VanDerWaalsContact O-CD2 3.29Å; T176-Y180 WeakPolarHBondContact O-CD2 3.43Å; T176-Y180 PolarHBondContact O-N 3.41Å
177Y97.4Very high96Very high60 Ų6074.3 Ų74.324%0.23538%0.377CS..Hα-helixtrans-65.1-43.6-179.8175.9-142.6000111.8L136 S139 K140 Y143 A173 I174 S179 Y180 V181L136-Y177 HydrophobicContact CD1-CD2 4.07Å; L136-Y177 HydrophobicContact CD1-CE2 3.71Å; L136-Y177 HydrophobicContact CG-CE2 4.33Å; S139-Y177 WeakPolarHBondContact OG-CD2 3.42Å; K140-Y177 HydrophobicContact CB-CD2 4.01Å; K140-Y177 HydrophobicContact CB-CE1 4.45Å; K140-Y177 HydrophobicContact CB-CE2 3.69Å; K140-Y177 HydrophobicContact CD-CE2 4.43Å; K140-Y177 HydrophobicContact CG-CE1 4.23Å; K140-Y177 HydrophobicContact CG-CE2 4.1Å; Y143-Y177 AromaticContact CD1-CD1 3.74Å; Y143-Y177 HydrophobicContact CD1-CD1 3.74Å; Y143-Y177 HydrophobicContact CD1-CE1 4.14Å; Y143-Y177 HydrophobicContact CE1-CD1 4.36Å; Y143-Y177 HydrophobicContact CG-CD1 4.23Å; A173-Y177 WeakPolarHBondContact O-CB 3.2Å; A173-Y177 PolarHBondContact O-N 2.86Å; I174-Y177 PolarHBondContact O-N 2.85Å; Y177-S179 PolarHBondContact O-N 3.35Å; Y177-Y180 PolarHBondContact O-N 2.88Å; Y177-Y180 VanDerWaalsContact O-N 3.09Å; Y177-V181 HydrophobicContact CD2-CG2 3.99Å; Y177-V181 HydrophobicContact CE2-CG2 3.56Å; Y177-V181 WeakPolarHBondContact O-CG2 3.41Å; Y177-V181 PolarHBondContact O-N 2.81Å
178K97.1Very high96.4Very high127 Ų12777.1 Ų77.155%0.55239%0.385SS*.Hα-helixtrans-56.7-46.6174.3-75.3-174.4175-167.20112.3I174 Y180 V181 E182I174-K178 HydrophobicContact CG2-CD 4.27Å; I174-K178 HydrophobicContact CG2-CG 4.44Å; I174-K178 WeakPolarHBondContact O-CG 3.4Å; I174-K178 PolarHBondContact O-N 3.25Å; K178-Y180 VanDerWaalsContact C-N 3.25Å; K178-Y180 PolarHBondContact O-N 2.96Å; K178-V181 WeakPolarHBondContact O-CB 3.44Å; K178-V181 PolarHBondContact O-N 2.92Å; K178-E182 WeakPolarHBondContact O-CG 3.27Å; K178-E182 PolarHBondContact O-N 2.72Å
179S97.2Very high96.5Very high42 Ų4275.9 Ų75.929%0.29438%0.381SS..Hα-helixtrans-60.5-33.4176.5-174.50000112.8E175 T176 Y177 K183E175-S179 PolarHBondContact O-N 2.8Å; E175-S179 VanDerWaalsContact O-N 3.11Å; T176-S179 PolarHBondContact O-N 3.5Å; Y177-S179 PolarHBondContact O-N 3.35Å; S179-K183 WeakPolarHBondContact O-CB 3.43Å; S179-K183 WeakPolarHBondContact O-CD 3.35Å; S179-K183 WeakPolarHBondContact O-CG 3.33Å; S179-K183 PolarHBondContact O-N 3.01Å; S179-K183 VanDerWaalsContact O-N 3.08Å
180Y97.6Very high96.7Very high70 Ų7072.8 Ų72.828%0.27537%0.37SS..Hα-helixtrans-74.8-32.7172.6-80-67.9000113.4S135 T176 Y177 K178 K183 Y184S135-Y180 VanDerWaalsContact CB-CE1 3.48Å; T176-Y180 HydrophobicContact CG2-CD2 4.06Å; T176-Y180 HydrophobicContact CG2-CE2 3.89Å; T176-Y180 VanDerWaalsContact O-CD2 3.29Å; T176-Y180 WeakPolarHBondContact O-CD2 3.43Å; T176-Y180 PolarHBondContact O-N 3.41Å; Y177-Y180 PolarHBondContact O-N 2.88Å; Y177-Y180 VanDerWaalsContact O-N 3.09Å; K178-Y180 VanDerWaalsContact C-N 3.25Å; K178-Y180 PolarHBondContact O-N 2.96Å; Y180-K183 HydrophobicContact CD1-CD 4.41Å; Y180-Y184 VanDerWaalsContact O-CB 3.25Å; Y180-Y184 WeakPolarHBondContact O-CB 3.35Å; Y180-Y184 PolarHBondContact O-N 2.83Å
181V98Very high96.9Very high66 Ų6673.1 Ų73.140%0.437%0.371SS..Hα-helixtrans-62.6-44.9172.6172.60000110.6L136 Y177 K178 Y184 A185L136-V181 HydrophobicContact CD1-CB 4.36Å; L136-V181 HydrophobicContact CD1-CG2 3.71Å; Y177-V181 HydrophobicContact CD2-CG2 3.99Å; Y177-V181 HydrophobicContact CE2-CG2 3.56Å; Y177-V181 WeakPolarHBondContact O-CG2 3.41Å; Y177-V181 PolarHBondContact O-N 2.81Å; K178-V181 WeakPolarHBondContact O-CB 3.44Å; K178-V181 PolarHBondContact O-N 2.92Å; V181-Y184 PolarHBondContact O-N 2.76Å; V181-A185 PolarHBondContact O-N 3.42Å
182E96.9Very high97.1Very high124 Ų12470.5 Ų70.558%0.57936%0.361SS*.Hα-helixtrans-62-49.2176.3-69.9157.4-167.700111.3K178 Y184 A185 S186K178-E182 WeakPolarHBondContact O-CG 3.27Å; K178-E182 PolarHBondContact O-N 2.72Å; E182-Y184 VanDerWaalsContact C-N 3.32Å; E182-Y184 PolarHBondContact O-N 3.22Å; E182-A185 WeakPolarHBondContact O-CB 3.31Å; E182-A185 PolarHBondContact O-N 2.82Å; E182-S186 PolarHBondContact O-N 3.26Å; E182-S186 VanDerWaalsContact O-N 3.12Å; E182-S186 PolarHBondContact O-OG 3.27Å
183K97.2Very high97.2Very high104 Ų10469.1 Ų69.145%0.45236%0.357SS..Hα-helixtrans-60.4-38.5175.7-73.7167.2-176.4170.80113I132 S179 Y180 S186 A187I132-K183 HydrophobicContact CG2-CB 4.28Å; S179-K183 WeakPolarHBondContact O-CB 3.43Å; S179-K183 WeakPolarHBondContact O-CD 3.35Å; S179-K183 WeakPolarHBondContact O-CG 3.33Å; S179-K183 PolarHBondContact O-N 3.01Å; S179-K183 VanDerWaalsContact O-N 3.08Å; Y180-K183 HydrophobicContact CD1-CD 4.41Å; K183-S186 PolarHBondContact O-N 3.06Å; K183-A187 WeakPolarHBondContact O-CB 3.47Å; K183-A187 PolarHBondContact O-N 2.87Å
184Y97.8Very high97.3Very high74 Ų7471.3 Ų71.329%0.2937%0.366SS..Hα-helixtrans-65.8-40.5176177.1-101.3000111.5I129 I132 S133 L136 Y180 V181 E182 S186 A187 K188I129-Y184 HydrophobicContact CD1-CE2 4.12Å; I129-Y184 HydrophobicContact CG1-CD2 4.32Å; I129-Y184 HydrophobicContact CG1-CE2 3.86Å; I132-Y184 HydrophobicContact CG2-CD2 4.39Å; S133-Y184 VanDerWaalsContact OG-CE2 3.27Å; S133-Y184 WeakPolarHBondContact OG-CE2 2.99Å; L136-Y184 HydrophobicContact CD2-CD1 4.32Å; L136-Y184 HydrophobicContact CD2-CD2 4.36Å; L136-Y184 HydrophobicContact CD2-CG 4.02Å; Y180-Y184 VanDerWaalsContact O-CB 3.25Å; Y180-Y184 WeakPolarHBondContact O-CB 3.35Å; Y180-Y184 PolarHBondContact O-N 2.83Å; V181-Y184 PolarHBondContact O-N 2.76Å; E182-Y184 VanDerWaalsContact C-N 3.32Å; E182-Y184 PolarHBondContact O-N 3.22Å; Y184-S186 PolarHBondContact O-N 3Å; Y184-A187 PolarHBondContact O-N 3.12Å; Y184-K188 HydrophobicContact CE1-CD 4.15Å; Y184-K188 WeakPolarHBondContact O-CB 3.44Å; Y184-K188 PolarHBondContact O-N 2.82Å
185A97.3Very high97.4Very high58 Ų5868.4 Ų68.448%0.47935%0.351SS..Hα-helixtrans-61.2-44.2175.500000112.1V181 E182 S189V181-A185 PolarHBondContact O-N 3.42Å; E182-A185 WeakPolarHBondContact O-CB 3.31Å; E182-A185 PolarHBondContact O-N 2.82Å; A185-S189 PolarHBondContact O-N 2.99Å; A185-S189 VanDerWaalsContact O-N 3.14Å
186S96.9Very high97.4Very high83 Ų8365.1 Ų65.158%0.5834%0.34SS*.Hα-helixtrans-62.8-49.1174.5-57.70000112.4E182 K183 Y184 K188 S189 D190E182-S186 PolarHBondContact O-N 3.26Å; E182-S186 VanDerWaalsContact O-N 3.12Å; E182-S186 PolarHBondContact O-OG 3.27Å; K183-S186 PolarHBondContact O-N 3.06Å; Y184-S186 PolarHBondContact O-N 3Å; S186-K188 VanDerWaalsContact C-N 3.32Å; S186-K188 PolarHBondContact O-N 2.9Å; S186-S189 PolarHBondContact O-N 3.11Å; S186-D190 PolarHBondContact O-N 3.3Å; S186-D190 VanDerWaalsContact O-N 3.1Å
187A97.4Very high97.4Very high9 Ų968 Ų687%0.07435%0.35CS..Hα-helixtrans-66.6-33.2-178.900000112.7I132 K183 Y184 F191I132-A187 HydrophobicContact CD1-CB 3.61Å; K183-A187 WeakPolarHBondContact O-CB 3.47Å; K183-A187 PolarHBondContact O-N 2.87Å; Y184-A187 PolarHBondContact O-N 3.12Å; A187-F191 VanDerWaalsContact O-CB 3.27Å; A187-F191 WeakPolarHBondContact O-CB 3.5Å; A187-F191 PolarHBondContact O-N 2.56Å
188K97.4Very high97.4Very high75 Ų7565.6 Ų65.633%0.32634%0.342SS..Hα-helixtrans-61.9-46.6171.9179179.5-179.6-68.90111.5I129 Y184 S186 F191 E192I129-K188 HydrophobicContact CD1-CB 4.14Å; I129-K188 HydrophobicContact CD1-CG 4.5Å; Y184-K188 HydrophobicContact CE1-CD 4.15Å; Y184-K188 WeakPolarHBondContact O-CB 3.44Å; Y184-K188 PolarHBondContact O-N 2.82Å; S186-K188 VanDerWaalsContact C-N 3.32Å; S186-K188 PolarHBondContact O-N 2.9Å; K188-F191 PolarHBondContact O-N 3.31Å; K188-E192 VanDerWaalsContact CE-OE1 3.25Å; K188-E192 WeakPolarHBondContact CE-OE1 3.49Å; K188-E192 HydrophobicContact CG-CG 4.37Å; K188-E192 IonicContact NZ-OE1 2.81Å; K188-E192 PolarHBondContact NZ-OE1 2.83Å; K188-E192 IonicContact NZ-OE2 2.64Å; K188-E192 PolarHBondContact NZ-OE2 3.14Å; K188-E192 WeakPolarHBondContact O-CB 3.28Å; K188-E192 WeakPolarHBondContact O-CG 3.32Å; K188-E192 PolarHBondContact O-N 3.48Å
189S97.8Very high97.4Very high78 Ų7859.6 Ų59.655%0.54532%0.316SS..Hα-helixtrans-64.8-40.8179.6-165.40000112.5A185 S186 Q193A185-S189 PolarHBondContact O-N 2.99Å; A185-S189 VanDerWaalsContact O-N 3.14Å; S186-S189 PolarHBondContact O-N 3.11Å; S189-Q193 PolarHBondContact O-N 3.27Å; S189-Q193 VanDerWaalsContact O-N 3.16Å
190D97.6Very high97.4Very high61 Ų6159.8 Ų59.833%0.32631%0.312SS..Hα-helixtrans-66.3-44176.6-178.268.6000111.8A125 S186 K194A125-D190 WeakPolarHBondContact CB-OD2 3.49Å; S186-D190 PolarHBondContact O-N 3.3Å; S186-D190 VanDerWaalsContact O-N 3.1Å; D190-K194 WeakPolarHBondContact O-CB 3.15Å; D190-K194 WeakPolarHBondContact O-CG 3.35Å; D190-K194 PolarHBondContact O-N 3.04Å; D190-K194 VanDerWaalsContact O-N 3.12Å; D190-K194 WeakPolarHBondContact OD1-CE 3.44Å; D190-K194 IonicContact OD1-NZ 3.85Å; D190-K194 PolarHBondContact OD1-NZ 3.32Å; D190-K194 IonicContact OD2-NZ 3.87Å; D190-K194 PolarHBondContact OD2-NZ 3.16Å
191F98.3Very high97.3Very high8 Ų860.7 Ų60.74%0.03532%0.315CS..Hα-helixtrans-61.3-50.2173.3164.1-101.9000112.1W11 N15 A125 V126 I129 A187 K188 Q193 K194 M195W11-F191 AromaticContact CE3-CE1 3.94Å; W11-F191 HydrophobicContact CE3-CE1 3.94Å; W11-F191 HydrophobicContact CE3-CZ 4.07Å; W11-F191 AromaticContact CZ3-CE1 3.76Å; W11-F191 HydrophobicContact CZ3-CE1 3.76Å; W11-F191 AromaticContact CZ3-CZ 3.97Å; W11-F191 HydrophobicContact CZ3-CZ 3.97Å; N15-F191 HydrophobicContact CB-CE2 4.26Å; N15-F191 HydrophobicContact CB-CZ 4.2Å; N15-F191 WeakPolarHBondContact ND2-CE1 3.43Å; N15-F191 VanDerWaalsContact ND2-CZ 3.31Å; N15-F191 WeakPolarHBondContact ND2-CZ 3.49Å; A125-F191 HydrophobicContact CB-CB 4.47Å; V126-F191 HydrophobicContact CG2-CD2 3.95Å; V126-F191 HydrophobicContact CG2-CE2 3.8Å; I129-F191 HydrophobicContact CB-CB 4.29Å; I129-F191 HydrophobicContact CD1-CB 4.08Å; I129-F191 HydrophobicContact CD1-CD1 3.8Å; I129-F191 HydrophobicContact CD1-CG 4.07Å; I129-F191 HydrophobicContact CG2-CB 4.14Å; I129-F191 HydrophobicContact CG2-CD1 4.49Å; I129-F191 HydrophobicContact CG2-CD2 4.1Å; I129-F191 HydrophobicContact CG2-CG 3.96Å; A187-F191 VanDerWaalsContact O-CB 3.27Å; A187-F191 WeakPolarHBondContact O-CB 3.5Å; A187-F191 PolarHBondContact O-N 2.56Å; K188-F191 PolarHBondContact O-N 3.31Å; F191-Q193 VanDerWaalsContact C-N 3.35Å; F191-Q193 PolarHBondContact O-N 2.52Å; F191-K194 PolarHBondContact O-N 3.26Å; F191-M195 HydrophobicContact CD2-CB 4.14Å; F191-M195 HydrophobicContact CE2-CB 3.75Å; F191-M195 HydrophobicContact CE2-CG 3.85Å; F191-M195 HydrophobicContact CE2-SD 4.4Å; F191-M195 HydrophobicContact CZ-CB 3.99Å; F191-M195 HydrophobicContact CZ-CG 3.84Å; F191-M195 WeakPolarHBondContact O-CB 3.48Å; F191-M195 PolarHBondContact O-N 3.29Å
192E97.5Very high97.3Very high77 Ų7757.7 Ų57.736%0.3630%0.297SS..Hα-helixtrans-62.7-40.2-176.4-77.5175147.700112.2W11 K188 A196W11-E192 HydrophobicContact CZ3-CG 4.35Å; K188-E192 VanDerWaalsContact CE-OE1 3.25Å; K188-E192 WeakPolarHBondContact CE-OE1 3.49Å; K188-E192 HydrophobicContact CG-CG 4.37Å; K188-E192 IonicContact NZ-OE1 2.81Å; K188-E192 PolarHBondContact NZ-OE1 2.83Å; K188-E192 IonicContact NZ-OE2 2.64Å; K188-E192 PolarHBondContact NZ-OE2 3.14Å; K188-E192 WeakPolarHBondContact O-CB 3.28Å; K188-E192 WeakPolarHBondContact O-CG 3.32Å; K188-E192 PolarHBondContact O-N 3.48Å; E192-A196 VanDerWaalsContact O-CB 3.23Å; E192-A196 WeakPolarHBondContact O-CB 3.4Å; E192-A196 PolarHBondContact O-N 2.92Å
193Q97.6Very high97.3Very high116 Ų11652.1 Ų52.154%0.54227%0.27SS..Hα-helixtrans-63.4-57.8174.5-178.1-177.8-12.200111.4S189 F191 M195 A196 E197S189-Q193 PolarHBondContact O-N 3.27Å; S189-Q193 VanDerWaalsContact O-N 3.16Å; F191-Q193 VanDerWaalsContact C-N 3.35Å; F191-Q193 PolarHBondContact O-N 2.52Å; Q193-M195 VanDerWaalsContact C-N 3.32Å; Q193-M195 PolarHBondContact O-N 3.06Å; Q193-A196 WeakPolarHBondContact O-CB 3.3Å; Q193-A196 PolarHBondContact O-N 3.32Å; Q193-A196 VanDerWaalsContact O-N 3.13Å; Q193-E197 VanDerWaalsContact CG-OE1 3.25Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.22Å; Q193-E197 PolarHBondContact NE2-OE1 3.05Å; Q193-E197 PolarHBondContact O-N 3.06Å; Q193-E197 VanDerWaalsContact O-N 3.11Å
194K97.7Very high97.3Very high48 Ų4850 Ų5021%0.20926%0.264CS..Hα-helixtrans-63-39.2-175.2-71.3169174.6170.10112.2P121 T122 A125 D190 F191 A196 T198P121-K194 WeakPolarHBondContact O-CD 3.27Å; P121-K194 PolarHBondContact O-NZ 2.57Å; T122-K194 HydrophobicContact CG2-CB 4.05Å; A125-K194 HydrophobicContact CB-CD 3.7Å; D190-K194 WeakPolarHBondContact O-CB 3.15Å; D190-K194 WeakPolarHBondContact O-CG 3.35Å; D190-K194 PolarHBondContact O-N 3.04Å; D190-K194 VanDerWaalsContact O-N 3.12Å; D190-K194 WeakPolarHBondContact OD1-CE 3.44Å; D190-K194 IonicContact OD1-NZ 3.85Å; D190-K194 PolarHBondContact OD1-NZ 3.32Å; D190-K194 IonicContact OD2-NZ 3.87Å; D190-K194 PolarHBondContact OD2-NZ 3.16Å; F191-K194 PolarHBondContact O-N 3.26Å; K194-A196 VanDerWaalsContact C-N 3.34Å; K194-T198 WeakPolarHBondContact O-CB 3.35Å; K194-T198 PolarHBondContact O-N 3.17Å; K194-T198 PolarHBondContact O-OG1 3.18Å
195M97.9Very high97.2Very high1 Ų147.6 Ų47.61%0.00526%0.256CS..Hα-helixtrans-67.2-35.4177.1-174.659-174.500111.4F10 W11 G17 F18 L21 F191 Q193 S199F10-M195 HydrophobicContact CB-CE 4.13Å; F10-M195 VanDerWaalsContact O-CE 3.24Å; F10-M195 WeakPolarHBondContact O-CE 3.48Å; W11-M195 HydrophobicContact CE3-CG 4.22Å; W11-M195 HydrophobicContact CH2-CB 4.08Å; W11-M195 HydrophobicContact CH2-CG 4Å; W11-M195 HydrophobicContact CZ3-CB 3.82Å; W11-M195 HydrophobicContact CZ3-CG 3.6Å; G17-M195 VanDerWaalsContact C-CE 3.47Å; F18-M195 HydrophobicContact CB-CE 4.48Å; F18-M195 HydrophobicContact CB-SD 4.07Å; L21-M195 HydrophobicContact CD1-CE 4.37Å; F191-M195 HydrophobicContact CD2-CB 4.14Å; F191-M195 HydrophobicContact CE2-CB 3.75Å; F191-M195 HydrophobicContact CE2-CG 3.85Å; F191-M195 HydrophobicContact CE2-SD 4.4Å; F191-M195 HydrophobicContact CZ-CB 3.99Å; F191-M195 HydrophobicContact CZ-CG 3.84Å; F191-M195 WeakPolarHBondContact O-CB 3.48Å; F191-M195 PolarHBondContact O-N 3.29Å; Q193-M195 VanDerWaalsContact C-N 3.32Å; Q193-M195 PolarHBondContact O-N 3.06Å; M195-S199 WeakPolarHBondContact CE-OG 3.45Å; M195-S199 VanDerWaalsContact O-CB 3.22Å; M195-S199 WeakPolarHBondContact O-CB 3.42Å; M195-S199 PolarHBondContact O-N 2.94Å; M195-S199 PolarHBondContact O-OG 3.29Å
196A96.7Very high97.1Very high29 Ų2946.4 Ų46.424%0.2424%0.24CC..Hα-helixtrans-64.5-52175.400000112L7 E192 Q193 K194 T198 S199 Q200L7-A196 VanDerWaalsContact CD1-CA 3.4Å; L7-A196 HydrophobicContact CD1-CB 3.39Å; E192-A196 VanDerWaalsContact O-CB 3.23Å; E192-A196 WeakPolarHBondContact O-CB 3.4Å; E192-A196 PolarHBondContact O-N 2.92Å; Q193-A196 WeakPolarHBondContact O-CB 3.3Å; Q193-A196 PolarHBondContact O-N 3.32Å; Q193-A196 VanDerWaalsContact O-N 3.13Å; K194-A196 VanDerWaalsContact C-N 3.34Å; A196-T198 VanDerWaalsContact C-N 3.31Å; A196-T198 PolarHBondContact O-N 2.84Å; A196-S199 PolarHBondContact O-N 3.2Å; A196-Q200 PolarHBondContact O-N 3.29Å
197E96.4Very high97.1Very high119 Ų11944.7 Ų44.756%0.55622%0.223SC*.Hα-helixtrans-58.8-42.7176.7-65.8172.4-157.200111.3Q193 R201Q193-E197 VanDerWaalsContact CG-OE1 3.25Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.22Å; Q193-E197 PolarHBondContact NE2-OE1 3.05Å; Q193-E197 PolarHBondContact O-N 3.06Å; Q193-E197 VanDerWaalsContact O-N 3.11Å; E197-R201 WeakPolarHBondContact O-CB 3.36Å; E197-R201 PolarHBondContact O-N 3.22Å
198T97.8Very high97Very high9 Ų949.4 Ų49.46%0.05525%0.247CC..Hα-helixtrans-71.7-35.8-179.3-58.30000113.1F18 V119 T122 K194 A196 R201 F202F18-T198 HydrophobicContact CD2-CG2 4.04Å; F18-T198 HydrophobicContact CE2-CG2 4.07Å; V119-T198 HydrophobicContact CB-CG2 4.02Å; V119-T198 HydrophobicContact CG1-CG2 3.85Å; T122-T198 WeakPolarHBondContact CB-OG1 3.46Å; T122-T198 HydrophobicContact CG2-CG2 4.13Å; T122-T198 WeakPolarHBondContact CG2-OG1 3.49Å; T122-T198 PolarHBondContact OG1-OG1 2.92Å; K194-T198 WeakPolarHBondContact O-CB 3.35Å; K194-T198 PolarHBondContact O-N 3.17Å; K194-T198 PolarHBondContact O-OG1 3.18Å; A196-T198 VanDerWaalsContact C-N 3.31Å; A196-T198 PolarHBondContact O-N 2.84Å; T198-R201 WeakPolarHBondContact O-CB 3.33Å; T198-R201 PolarHBondContact O-N 2.91Å; T198-F202 HydrophobicContact CG2-CD2 3.75Å; T198-F202 HydrophobicContact CG2-CE2 3.45Å; T198-F202 VanDerWaalsContact CG2-CE2 3.45Å; T198-F202 HydrophobicContact CG2-CZ 4.25Å; T198-F202 VanDerWaalsContact O-CD2 3.31Å; T198-F202 WeakPolarHBondContact O-CD2 3.35Å; T198-F202 PolarHBondContact O-N 2.85Å
199S97.3Very high96.9Very high1 Ų146.3 Ų46.31%0.00723%0.234CC..Hα-helixtrans-67-41.3178.5-60.90000111.3F6 M195 A196 F202 Q203F6-S199 WeakPolarHBondContact CB-O 3.5Å; M195-S199 WeakPolarHBondContact CE-OG 3.45Å; M195-S199 VanDerWaalsContact O-CB 3.22Å; M195-S199 WeakPolarHBondContact O-CB 3.42Å; M195-S199 PolarHBondContact O-N 2.94Å; M195-S199 PolarHBondContact O-OG 3.29Å; A196-S199 PolarHBondContact O-N 3.2Å; S199-F202 PolarHBondContact O-N 3.01Å; S199-Q203 PolarHBondContact O-N 3.25Å; S199-Q203 VanDerWaalsContact O-N 3.08Å
200Q96.2Very high96.9Very high46 Ų4646.7 Ų46.722%0.21523%0.229CC..Hα-helixtrans-63-45.5170.9-173.659.850.800110.9P4 A196 F202 Q203 D204P4-Q200 VanDerWaalsContact CB-OE1 3.24Å; A196-Q200 PolarHBondContact O-N 3.29Å; Q200-F202 VanDerWaalsContact C-N 3.29Å; Q200-F202 PolarHBondContact O-N 3.25Å; Q200-Q203 CarbonylContact O-C 3.55Å; Q200-Q203 WeakPolarHBondContact O-CA 3.36Å; Q200-Q203 WeakPolarHBondContact O-CB 3.33Å; Q200-Q203 PolarHBondContact O-N 3.06Å; Q200-D204 PolarHBondContact NE2-OD1 2.89Å; Q200-D204 PolarHBondContact O-N 3.49Å
201R95.9Very high96.8Very high88 Ų8848.5 Ų48.533%0.33224%0.238SC..Hα-helixtrans-57.5-39178.5-178.163.7178.6120.35.2113E118 E197 T198 I205E118-R201 IonicContact OE1-NH2 3.14Å; E118-R201 IonicContact OE2-CZ 3.64Å; E118-R201 IonicContact OE2-NE 2.65Å; E118-R201 PolarHBondContact OE2-NE 2.91Å; E118-R201 IonicContact OE2-NH2 3.6Å; E118-R201 PolarHBondContact OE2-NH2 3.45Å; E197-R201 WeakPolarHBondContact O-CB 3.36Å; E197-R201 PolarHBondContact O-N 3.22Å; T198-R201 WeakPolarHBondContact O-CB 3.33Å; T198-R201 PolarHBondContact O-N 2.91Å; R201-I205 HydrophobicContact CG-CD1 4.45Å; R201-I205 WeakPolarHBondContact O-CD1 3.26Å; R201-I205 VanDerWaalsContact O-CG1 3.28Å; R201-I205 WeakPolarHBondContact O-CG1 3.37Å; R201-I205 PolarHBondContact O-N 3.24Å
202F97.8Very high96.7Very high4 Ų450.4 Ų50.42%0.01825%0.247CC..Hα-helixtrans-69.2-37.7172.7-76.3-53.2000112.5F6 F18 L21 Y22 M25 T115 V119 T198 S199 Q200 I205 E206F6-F202 HydrophobicContact CD2-CB 4.12Å; F6-F202 HydrophobicContact CE2-CB 4.35Å; F18-F202 HydrophobicContact CD2-CE2 4.21Å; F18-F202 HydrophobicContact CE2-CE2 4.19Å; F18-F202 HydrophobicContact CE2-CZ 4.34Å; L21-F202 HydrophobicContact CB-CB 4.17Å; L21-F202 HydrophobicContact CB-CD2 3.44Å; L21-F202 VanDerWaalsContact CB-CD2 3.44Å; L21-F202 HydrophobicContact CB-CE2 3.89Å; L21-F202 HydrophobicContact CB-CG 3.89Å; L21-F202 HydrophobicContact CD1-CB 4.34Å; L21-F202 HydrophobicContact CD1-CD2 3.96Å; L21-F202 HydrophobicContact CG-CD2 4.34Å; Y22-F202 HydrophobicContact CD2-CE1 4.27Å; Y22-F202 HydrophobicContact CD2-CZ 4.06Å; Y22-F202 HydrophobicContact CG-CZ 4.41Å; M25-F202 HydrophobicContact CB-CD1 4.28Å; M25-F202 HydrophobicContact CB-CE1 4.4Å; M25-F202 HydrophobicContact CE-CE1 4.22Å; M25-F202 HydrophobicContact SD-CD1 4.18Å; M25-F202 HydrophobicContact SD-CE1 3.92Å; T115-F202 HydrophobicContact CG2-CE1 4.23Å; V119-F202 HydrophobicContact CG1-CZ 4.44Å; V119-F202 HydrophobicContact CG2-CZ 4.17Å; T198-F202 HydrophobicContact CG2-CD2 3.75Å; T198-F202 HydrophobicContact CG2-CE2 3.45Å; T198-F202 VanDerWaalsContact CG2-CE2 3.45Å; T198-F202 HydrophobicContact CG2-CZ 4.25Å; T198-F202 VanDerWaalsContact O-CD2 3.31Å; T198-F202 WeakPolarHBondContact O-CD2 3.35Å; T198-F202 PolarHBondContact O-N 2.85Å; S199-F202 PolarHBondContact O-N 3.01Å; Q200-F202 VanDerWaalsContact C-N 3.29Å; Q200-F202 PolarHBondContact O-N 3.25Å; F202-I205 PolarHBondContact O-N 3.19Å; F202-E206 PolarHBondContact O-N 3.45Å
203Q97.1Very high96.7Very high7 Ų747.7 Ų47.73%0.03324%0.235CC..Hα-helixtrans-63.8-43.3175.4-162-179.9-58.400111.4T3 P4 F6 S199 Q200 I205 E206 E207T3-Q203 PolarHBondContact O-NE2 3.45Å; P4-Q203 VanDerWaalsContact C-OE1 3.31Å; F6-Q203 HydrophobicContact CB-CB 4.04Å; F6-Q203 HydrophobicContact CB-CG 4.47Å; F6-Q203 HydrophobicContact CD1-CG 4.26Å; F6-Q203 VanDerWaalsContact CD2-CA 3.47Å; F6-Q203 HydrophobicContact CD2-CB 3.56Å; F6-Q203 HydrophobicContact CD2-CG 4.09Å; F6-Q203 VanDerWaalsContact CD2-N 3.35Å; F6-Q203 HydrophobicContact CE2-CB 4.11Å; F6-Q203 HydrophobicContact CE2-CG 4.4Å; F6-Q203 HydrophobicContact CG-CB 3.8Å; F6-Q203 HydrophobicContact CG-CG 4.02Å; S199-Q203 PolarHBondContact O-N 3.25Å; S199-Q203 VanDerWaalsContact O-N 3.08Å; Q200-Q203 CarbonylContact O-C 3.55Å; Q200-Q203 WeakPolarHBondContact O-CA 3.36Å; Q200-Q203 WeakPolarHBondContact O-CB 3.33Å; Q200-Q203 PolarHBondContact O-N 3.06Å; Q203-I205 VanDerWaalsContact C-N 3.27Å; Q203-I205 PolarHBondContact O-N 2.94Å; Q203-E206 PolarHBondContact O-N 3.42Å; Q203-E207 HydrophobicContact CG-CG 4.46Å; Q203-E207 PolarHBondContact NE2-OE1 3.43Å; Q203-E207 WeakPolarHBondContact O-CB 3.34Å; Q203-E207 WeakPolarHBondContact O-CG 3.32Å; Q203-E207 PolarHBondContact O-N 3.49Å
204D95.8Very high96.7Very high58 Ų5847.4 Ų47.431%0.3123%0.232SC..Hα-helixtrans-59.1-39.4176.3-58.1-25.2000111.3Q200 N208Q200-D204 PolarHBondContact NE2-OD1 2.89Å; Q200-D204 PolarHBondContact O-N 3.49Å; D204-N208 WeakPolarHBondContact O-CB 3.32Å; D204-N208 PolarHBondContact O-N 3.46Å; D204-N208 VanDerWaalsContact O-N 3.1Å; D204-N208 PolarHBondContact O-ND2 3.1Å
205I95.8Very high96.7Very high25 Ų2550 Ų5013%0.12825%0.245CC..Hα-helixtrans-67.9-43.7177.4-69165.7000110.9M25 T115 R201 F202 Q203 N208 H209M25-I205 HydrophobicContact CG-CG2 4.02Å; M25-I205 HydrophobicContact SD-CD1 4.23Å; M25-I205 HydrophobicContact SD-CG2 4.35Å; T115-I205 HydrophobicContact CG2-CD1 3.51Å; R201-I205 HydrophobicContact CG-CD1 4.45Å; R201-I205 WeakPolarHBondContact O-CD1 3.26Å; R201-I205 VanDerWaalsContact O-CG1 3.28Å; R201-I205 WeakPolarHBondContact O-CG1 3.37Å; R201-I205 PolarHBondContact O-N 3.24Å; F202-I205 PolarHBondContact O-N 3.19Å; Q203-I205 VanDerWaalsContact C-N 3.27Å; Q203-I205 PolarHBondContact O-N 2.94Å; I205-N208 PolarHBondContact O-N 2.9Å; I205-H209 WeakPolarHBondContact O-CB 3.26Å; I205-H209 PolarHBondContact O-N 2.74Å
206E96.3Very high96.7Very high32 Ų3250 Ų5015%0.1524%0.244CC..Hα-helixtrans-66.5-41.7178.4-164.366.3-14300111.9F6 N24 F202 Q203 N208 H209 I210F6-E206 HydrophobicContact CE2-CB 4.23Å; F6-E206 HydrophobicContact CZ-CB 4.25Å; F6-E206 HydrophobicContact CZ-CG 4.23Å; N24-E206 VanDerWaalsContact ND2-CD 3.33Å; N24-E206 PolarHBondContact ND2-OE2 2.91Å; F202-E206 PolarHBondContact O-N 3.45Å; Q203-E206 PolarHBondContact O-N 3.42Å; E206-N208 PolarHBondContact O-N 3.25Å; E206-H209 PolarHBondContact O-N 2.79Å; E206-H209 IonicContact OE1-CD2 2.62Å; E206-I210 HydrophobicContact CG-CD1 4.01Å; E206-I210 WeakPolarHBondContact O-CB 3.43Å; E206-I210 WeakPolarHBondContact O-CG1 3.38Å; E206-I210 PolarHBondContact O-N 2.85Å
207E96Very high96.8Very high47 Ų4752 Ų5222%0.2225%0.25CS..Hα-helixtrans-60.1-45.8174.5-76.9-177.5-145.900111.3I2 Q203 I210 L211I2-E207 WeakPolarHBondContact CB-OE1 3.47Å; I2-E207 HydrophobicContact CD1-CG 4.21Å; I2-E207 WeakPolarHBondContact CD1-OE2 3.14Å; Q203-E207 HydrophobicContact CG-CG 4.46Å; Q203-E207 PolarHBondContact NE2-OE1 3.43Å; Q203-E207 WeakPolarHBondContact O-CB 3.34Å; Q203-E207 WeakPolarHBondContact O-CG 3.32Å; Q203-E207 PolarHBondContact O-N 3.49Å; E207-I210 PolarHBondContact O-N 2.67Å; E207-L211 WeakPolarHBondContact O-CB 3.35Å; E207-L211 WeakPolarHBondContact O-CD1 3.5Å; E207-L211 WeakPolarHBondContact O-CG 3.1Å; E207-L211 PolarHBondContact O-N 2.95Å
208N95.2Very high96.9Very high108 Ų10852.8 Ų52.858%0.57825%0.248SC*.Hα-helixtrans-65.4-38.4175.5-79.3-72.7000112.4D204 I205 E206 L211 H212D204-N208 WeakPolarHBondContact O-CB 3.32Å; D204-N208 PolarHBondContact O-N 3.46Å; D204-N208 VanDerWaalsContact O-N 3.1Å; D204-N208 PolarHBondContact O-ND2 3.1Å; I205-N208 PolarHBondContact O-N 2.9Å; E206-N208 PolarHBondContact O-N 3.25Å; N208-L211 PolarHBondContact O-N 3.04Å; N208-H212 PolarHBondContact O-N 3.07Å
209H96.6Very high96.9Very high11 Ų1154.1 Ų54.15%0.05126%0.258CS..Hα-helixtrans-61-51.1175174.150.7000111.7G28 S32 Y104 Q108 I205 E206 L211 H212 M213G28-H209 WeakPolarHBondContact CA-NE2 3.34Å; G28-H209 PolarHBondContact O-CE1 2.95Å; G28-H209 VanDerWaalsContact O-CE1 3.22Å; G28-H209 PolarHBondContact O-NE2 3.05Å; S32-H209 PolarHBondContact OG-CE1 2.75Å; Y104-H209 AromaticContact CE1-ND1 3.72Å; Y104-H209 AromaticContact CZ-ND1 3.76Å; Y104-H209 WeakPolarHBondContact OH-CA 3.41Å; Y104-H209 PolarHBondContact OH-ND1 3.18Å; Q108-H209 PolarHBondContact NE2-CE1 2.87Å; Q108-H209 PolarHBondContact NE2-ND1 3.3Å; I205-H209 WeakPolarHBondContact O-CB 3.26Å; I205-H209 PolarHBondContact O-N 2.74Å; E206-H209 PolarHBondContact O-N 2.79Å; E206-H209 IonicContact OE1-CD2 2.62Å; H209-L211 VanDerWaalsContact C-N 3.33Å; H209-L211 PolarHBondContact O-N 2.98Å; H209-H212 PolarHBondContact O-N 3.25Å; H209-M213 VanDerWaalsContact CE1-CG 3.41Å; H209-M213 WeakPolarHBondContact CE1-CG 3.45Å; H209-M213 WeakPolarHBondContact O-CB 3.49Å; H209-M213 VanDerWaalsContact O-CG 3.24Å; H209-M213 WeakPolarHBondContact O-CG 3.46Å; H209-M213 PolarHBondContact O-N 2.95Å
210I96.9Very high97Very high85 Ų8555.7 Ų55.744%0.43626%0.264SS..Hα-helixtrans-63.7-38.2179-67.6167.8000111.3E206 E207 K214E206-I210 HydrophobicContact CG-CD1 4.01Å; E206-I210 WeakPolarHBondContact O-CB 3.43Å; E206-I210 WeakPolarHBondContact O-CG1 3.38Å; E206-I210 PolarHBondContact O-N 2.85Å; E207-I210 PolarHBondContact O-N 2.67Å; I210-K214 HydrophobicContact CG2-CD 3.9Å; I210-K214 WeakPolarHBondContact O-CB 3.35Å; I210-K214 WeakPolarHBondContact O-CD 3.5Å; I210-K214 WeakPolarHBondContact O-CG 3.49Å; I210-K214 PolarHBondContact O-N 2.66Å
211L96.4Very high97.1Very high100 Ų10058.5 Ų58.552%0.52428%0.28SS..Hα-helixtrans-63.7-47.2177.7-78169.2000112.3E207 N208 H209 K214 E215E207-L211 WeakPolarHBondContact O-CB 3.35Å; E207-L211 WeakPolarHBondContact O-CD1 3.5Å; E207-L211 WeakPolarHBondContact O-CG 3.1Å; E207-L211 PolarHBondContact O-N 2.95Å; N208-L211 PolarHBondContact O-N 3.04Å; H209-L211 VanDerWaalsContact C-N 3.33Å; H209-L211 PolarHBondContact O-N 2.98Å; L211-K214 PolarHBondContact O-N 2.84Å; L211-E215 PolarHBondContact O-N 2.67Å
212H96.6Very high97.2Very high47 Ų4760 Ų6022%0.21829%0.29CS..Hα-helixtrans-74.8-36.7-178.7-17164.6000112.7Y104 N208 H209 K214 E215 I216Y104-H212 AromaticContact CD1-CD2 3.95Å; Y104-H212 AromaticContact CD2-CD2 3.23Å; Y104-H212 WeakPolarHBondContact CD2-CD2 3.33Å; Y104-H212 AromaticContact CD2-NE2 3.63Å; Y104-H212 AromaticContact CE2-CD2 3.49Å; Y104-H212 VanDerWaalsContact CE2-CD2 3.49Å; Y104-H212 WeakPolarHBondContact CE2-CD2 3.48Å; Y104-H212 AromaticContact CG-CD2 3.49Å; Y104-H212 VanDerWaalsContact CG-CD2 3.49Å; Y104-H212 AromaticContact CG-NE2 3.76Å; Y104-H212 AromaticContact CZ-CD2 3.97Å; N208-H212 PolarHBondContact O-N 3.07Å; H209-H212 PolarHBondContact O-N 3.25Å; H212-K214 PolarHBondContact O-N 3.08Å; H212-E215 IonicContact CE1-OE2 2.77Å; H212-E215 IonicContact ND1-OE2 3.15Å; H212-E215 PolarHBondContact ND1-OE2 2.86Å; H212-E215 WeakPolarHBondContact O-CA 3.46Å; H212-E215 VanDerWaalsContact O-CB 3.24Å; H212-E215 WeakPolarHBondContact O-CB 3.37Å; H212-E215 PolarHBondContact O-N 2.85Å; H212-I216 PolarHBondContact O-N 3.08Å
213M97.6Very high97.2Very high21 Ų2160.6 Ų60.610%0.10330%0.295CS..Hα-helixtrans-58-38.3169.1-73.1-70.2-76.200111.6S31 L35 Y104 H209 E215 I217S31-M213 WeakPolarHBondContact O-CE 3.21Å; L35-M213 HydrophobicContact CB-CE 3.95Å; L35-M213 HydrophobicContact CD2-CE 3.55Å; L35-M213 HydrophobicContact CD2-SD 4.02Å; L35-M213 HydrophobicContact CG-CE 4.41Å; Y104-M213 HydrophobicContact CD1-SD 4.48Å; Y104-M213 HydrophobicContact CE1-CG 4.39Å; Y104-M213 HydrophobicContact CE1-SD 4.19Å; H209-M213 VanDerWaalsContact CE1-CG 3.41Å; H209-M213 WeakPolarHBondContact CE1-CG 3.45Å; H209-M213 WeakPolarHBondContact O-CB 3.49Å; H209-M213 VanDerWaalsContact O-CG 3.24Å; H209-M213 WeakPolarHBondContact O-CG 3.46Å; H209-M213 PolarHBondContact O-N 2.95Å; M213-E215 VanDerWaalsContact C-N 3.31Å; M213-E215 PolarHBondContact O-N 2.99Å; M213-I217 WeakPolarHBondContact O-CD1 3.33Å; M213-I217 VanDerWaalsContact O-CG1 3.24Å; M213-I217 WeakPolarHBondContact O-CG1 3.19Å; M213-I217 PolarHBondContact O-N 2.75Å; M213-I217 VanDerWaalsContact O-N 3.1Å
214K97.6Very high97.2Very high110 Ų11062 Ų6248%0.47830%0.304SS..Hα-helixtrans-72.1-21.2173-72.8170.965.9173.70113.4I210 L211 H212 R218I210-K214 HydrophobicContact CG2-CD 3.9Å; I210-K214 WeakPolarHBondContact O-CB 3.35Å; I210-K214 WeakPolarHBondContact O-CD 3.5Å; I210-K214 WeakPolarHBondContact O-CG 3.49Å; I210-K214 PolarHBondContact O-N 2.66Å; L211-K214 PolarHBondContact O-N 2.84Å; H212-K214 PolarHBondContact O-N 3.08Å; K214-R218 WeakPolarHBondContact O-CG 3.47Å; K214-R218 PolarHBondContact O-N 3.11Å; K214-R218 PolarHBondContact O-NH1 3.42Å
215E97.8Very high97.3Very high103 Ų10364.9 Ų64.948%0.48132%0.316SS..Hα-helixtrans-72.5-51.8173.4-167.9165.1-138.900110.2L211 H212 M213 I217 R218 S219L211-E215 PolarHBondContact O-N 2.67Å; H212-E215 IonicContact CE1-OE2 2.77Å; H212-E215 IonicContact ND1-OE2 3.15Å; H212-E215 PolarHBondContact ND1-OE2 2.86Å; H212-E215 WeakPolarHBondContact O-CA 3.46Å; H212-E215 VanDerWaalsContact O-CB 3.24Å; H212-E215 WeakPolarHBondContact O-CB 3.37Å; H212-E215 PolarHBondContact O-N 2.85Å; M213-E215 VanDerWaalsContact C-N 3.31Å; M213-E215 PolarHBondContact O-N 2.99Å; E215-I217 VanDerWaalsContact C-N 3.26Å; E215-I217 PolarHBondContact O-N 2.88Å; E215-R218 WeakPolarHBondContact O-CA 3.42Å; E215-R218 WeakPolarHBondContact O-CB 3.49Å; E215-R218 PolarHBondContact O-N 3.41Å; E215-S219 PolarHBondContact O-N 2.8Å; E215-S219 PolarHBondContact O-OG 2.8Å
216I97.7Very high97.4Very high0 Ų067.3 Ų67.30%033%0.327CS..Hα-helixtrans-51.1-44.4171-67165.8000111.5L35 L97 V101 Y104 H212 R218 S219 Y220L35-I216 HydrophobicContact CD2-CG2 3.84Å; L97-I216 HydrophobicContact CD1-CG2 4.05Å; L97-I216 HydrophobicContact CG-CG2 4.35Å; V101-I216 HydrophobicContact CG1-CD1 4.41Å; V101-I216 HydrophobicContact CG2-CD1 4.22Å; V101-I216 HydrophobicContact CG2-CG2 3.56Å; Y104-I216 HydrophobicContact CD1-CD1 4.38Å; H212-I216 PolarHBondContact O-N 3.08Å; I216-R218 VanDerWaalsContact C-N 3.33Å; I216-R218 PolarHBondContact O-N 3.17Å; I216-S219 PolarHBondContact O-N 2.81Å; I216-Y220 PolarHBondContact O-N 2.77Å
217I98.1Very high97.4Very high70 Ų7065.8 Ų65.836%0.35932%0.32SS..Hα-helixtrans-66.7-30.5177.6-69.2165.5000112.4L35 M213 E215 L221L35-I217 HydrophobicContact CD1-CG1 4.37Å; L35-I217 HydrophobicContact CD2-CD1 4.49Å; L35-I217 HydrophobicContact CD2-CG1 4.16Å; M213-I217 WeakPolarHBondContact O-CD1 3.33Å; M213-I217 VanDerWaalsContact O-CG1 3.24Å; M213-I217 WeakPolarHBondContact O-CG1 3.19Å; M213-I217 PolarHBondContact O-N 2.75Å; M213-I217 VanDerWaalsContact O-N 3.1Å; E215-I217 VanDerWaalsContact C-N 3.26Å; E215-I217 PolarHBondContact O-N 2.88Å; I217-L221 HydrophobicContact CG2-CD1 4.28Å; I217-L221 VanDerWaalsContact O-CG 3.3Å; I217-L221 WeakPolarHBondContact O-CG 3.23Å; I217-L221 PolarHBondContact O-N 2.88Å
218R98.3Very high97.5Very high137 Ų13769.4 Ų69.452%0.51734%0.336SS..Hα-helixtrans-70.3-42.2171.2-70.9175.9-160.6101.8-23.5111.2K214 E215 I216 Y220 L221 Q222K214-R218 WeakPolarHBondContact O-CG 3.47Å; K214-R218 PolarHBondContact O-N 3.11Å; K214-R218 PolarHBondContact O-NH1 3.42Å; E215-R218 WeakPolarHBondContact O-CA 3.42Å; E215-R218 WeakPolarHBondContact O-CB 3.49Å; E215-R218 PolarHBondContact O-N 3.41Å; I216-R218 VanDerWaalsContact C-N 3.33Å; I216-R218 PolarHBondContact O-N 3.17Å; R218-Y220 VanDerWaalsContact C-N 3.28Å; R218-Y220 PolarHBondContact O-N 2.68Å; R218-L221 PolarHBondContact O-N 3.4Å; R218-L221 VanDerWaalsContact O-N 3.17Å; R218-Q222 WeakPolarHBondContact O-CB 3.36Å; R218-Q222 PolarHBondContact O-N 2.85Å
219S98.3Very high97.6Very high37 Ų3768 Ų6826%0.25933%0.331SS..Hα-helixtrans-60.3-37.9175.1-54.50000112.2E215 I216 S223E215-S219 PolarHBondContact O-N 2.8Å; E215-S219 PolarHBondContact O-OG 2.8Å; I216-S219 PolarHBondContact O-N 2.81Å; S219-S223 WeakPolarHBondContact O-CB 3.45Å; S219-S223 PolarHBondContact O-N 3.45Å; S219-S223 PolarHBondContact O-OG 3.34Å
220Y98.5Very high97.7Very high33 Ų3369.6 Ų69.613%0.12934%0.339CS..Hα-helixtrans-60.5-52.8170.1173-101.3000112.1I39 R42 L94 L97 I216 R218 Q222 S223 V224I39-Y220 HydrophobicContact CG1-CD2 4.35Å; R42-Y220 HydrophobicContact CG-CE2 4.25Å; R42-Y220 PolarHBondContact NH1-OH 3.17Å; L94-Y220 HydrophobicContact CD2-CD2 3.52Å; L94-Y220 HydrophobicContact CD2-CE2 3.65Å; L97-Y220 HydrophobicContact CD2-CD2 4.37Å; I216-Y220 PolarHBondContact O-N 2.77Å; R218-Y220 VanDerWaalsContact C-N 3.28Å; R218-Y220 PolarHBondContact O-N 2.68Å; Y220-Q222 PolarHBondContact O-N 3.07Å; Y220-S223 PolarHBondContact O-N 2.94Å; Y220-V224 HydrophobicContact CE1-CG2 4.48Å; Y220-V224 HydrophobicContact CE2-CG2 4.33Å; Y220-V224 WeakPolarHBondContact O-CG2 3.26Å; Y220-V224 PolarHBondContact O-N 3.48Å; Y220-V224 VanDerWaalsContact O-N 3.09Å
221L98Very high97.8Very high106 Ų10666.6 Ų66.656%0.55532%0.324SS*.Hα-helixtrans-61.5-43.4-179.2-72.7169000111.8I217 R218 V224 E225I217-L221 HydrophobicContact CG2-CD1 4.28Å; I217-L221 VanDerWaalsContact O-CG 3.3Å; I217-L221 WeakPolarHBondContact O-CG 3.23Å; I217-L221 PolarHBondContact O-N 2.88Å; R218-L221 PolarHBondContact O-N 3.4Å; R218-L221 VanDerWaalsContact O-N 3.17Å; L221-V224 PolarHBondContact O-N 2.96Å; L221-E225 WeakPolarHBondContact O-CB 3.46Å; L221-E225 PolarHBondContact O-N 3.44Å
222Q98.1Very high97.8Very high118 Ų11863.1 Ų63.155%0.55131%0.312SS*.Hα-helixtrans-60.8-45.1175.3178.3175.5-16.600111.7R218 Y220 V224 E225 E226R218-Q222 WeakPolarHBondContact O-CB 3.36Å; R218-Q222 PolarHBondContact O-N 2.85Å; Y220-Q222 PolarHBondContact O-N 3.07Å; Q222-V224 VanDerWaalsContact C-N 3.27Å; Q222-V224 PolarHBondContact O-N 3.1Å; Q222-E225 PolarHBondContact O-N 3.4Å; Q222-E226 HydrophobicContact CG-CG 4.22Å; Q222-E226 VanDerWaalsContact CG-OE1 3.31Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.05Å; Q222-E226 PolarHBondContact NE2-OE1 3.26Å; Q222-E226 WeakPolarHBondContact O-CB 3.28Å; Q222-E226 VanDerWaalsContact O-CG 3.32Å; Q222-E226 WeakPolarHBondContact O-CG 3.16Å; Q222-E226 PolarHBondContact O-N 3.04Å
223S98Very high97.8Very high18 Ų1866.7 Ų66.713%0.12633%0.329CS..Hα-helixtrans-59-39.6177.8-61.90000112.3S219 Y220 T227S219-S223 WeakPolarHBondContact O-CB 3.45Å; S219-S223 PolarHBondContact O-N 3.45Å; S219-S223 PolarHBondContact O-OG 3.34Å; Y220-S223 PolarHBondContact O-N 2.94Å; S223-T227 PolarHBondContact O-N 3.28Å
224V97.8Very high97.9Very high36 Ų3666.4 Ų66.422%0.21833%0.328CS..Hα-helixtrans-71-43.5177.5174.50000111.4L90 Y220 L221 Q222 T227 H228L90-V224 HydrophobicContact CD1-CG2 4.09Å; Y220-V224 HydrophobicContact CE1-CG2 4.48Å; Y220-V224 HydrophobicContact CE2-CG2 4.33Å; Y220-V224 WeakPolarHBondContact O-CG2 3.26Å; Y220-V224 PolarHBondContact O-N 3.48Å; Y220-V224 VanDerWaalsContact O-N 3.09Å; L221-V224 PolarHBondContact O-N 2.96Å; Q222-V224 VanDerWaalsContact C-N 3.27Å; Q222-V224 PolarHBondContact O-N 3.1Å; V224-T227 PolarHBondContact O-N 3.49Å; V224-H228 WeakPolarHBondContact O-CB 3.14Å; V224-H228 PolarHBondContact O-N 3.35Å
225E97.8Very high97.8Very high118 Ų11865.7 Ų65.755%0.55133%0.326SS*.Hα-helixtrans-64.4-47179.3-17364.8-160.900111.8L221 Q222 T227 H228 V229L221-E225 WeakPolarHBondContact O-CB 3.46Å; L221-E225 PolarHBondContact O-N 3.44Å; Q222-E225 PolarHBondContact O-N 3.4Å; E225-T227 VanDerWaalsContact C-N 3.31Å; E225-T227 PolarHBondContact O-N 3.22Å; E225-H228 WeakPolarHBondContact O-CB 3.4Å; E225-H228 PolarHBondContact O-N 3.21Å; E225-V229 WeakPolarHBondContact O-CG2 3.46Å; E225-V229 PolarHBondContact O-N 3.29Å
226E97.6Very high97.8Very high76 Ų7665.6 Ų65.636%0.35533%0.329SS..Hα-helixtrans-55.9-44.9176.1-75.2174.5-173.300111.8K93 Q222 V229 Q230K93-E226 IonicContact NZ-OE2 2.73Å; K93-E226 PolarHBondContact NZ-OE2 3.33Å; Q222-E226 HydrophobicContact CG-CG 4.22Å; Q222-E226 VanDerWaalsContact CG-OE1 3.31Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.05Å; Q222-E226 PolarHBondContact NE2-OE1 3.26Å; Q222-E226 WeakPolarHBondContact O-CB 3.28Å; Q222-E226 VanDerWaalsContact O-CG 3.32Å; Q222-E226 WeakPolarHBondContact O-CG 3.16Å; Q222-E226 PolarHBondContact O-N 3.04Å; E226-V229 PolarHBondContact O-N 2.9Å; E226-Q230 WeakPolarHBondContact O-CG 3.46Å; E226-Q230 PolarHBondContact O-N 3.22Å; E226-Q230 VanDerWaalsContact O-N 3.09Å
227T97.4Very high97.8Very high1 Ų168.2 Ų68.21%0.00634%0.341CS..Hα-helixtrans-72.4-30.2176.5-67.90000112.4C86 L90 S223 V224 E225 V229 Q230 I231C86-T227 HydrophobicContact CB-CG2 4.14Å; C86-T227 WeakPolarHBondContact O-CG2 3.27Å; L90-T227 HydrophobicContact CB-CG2 3.97Å; L90-T227 HydrophobicContact CD2-CG2 4.45Å; S223-T227 PolarHBondContact O-N 3.28Å; V224-T227 PolarHBondContact O-N 3.49Å; E225-T227 VanDerWaalsContact C-N 3.31Å; E225-T227 PolarHBondContact O-N 3.22Å; T227-V229 VanDerWaalsContact C-N 3.34Å; T227-Q230 PolarHBondContact O-N 3.44Å; T227-Q230 PolarHBondContact OG1-OE1 2.88Å; T227-I231 HydrophobicContact CG2-CD1 3.91Å; T227-I231 HydrophobicContact CG2-CG1 4.32Å; T227-I231 WeakPolarHBondContact O-CD1 3.49Å; T227-I231 VanDerWaalsContact O-CG1 3.22Å; T227-I231 WeakPolarHBondContact O-CG1 3.16Å; T227-I231 PolarHBondContact O-N 3.24Å
228H97.3Very high97.8Very high122 Ų12267.1 Ų67.157%0.56533%0.334SS*.Hα-helixtrans-63.5-40.7172.7-171.760000111.8V224 E225 I231 G232V224-H228 WeakPolarHBondContact O-CB 3.14Å; V224-H228 PolarHBondContact O-N 3.35Å; E225-H228 WeakPolarHBondContact O-CB 3.4Å; E225-H228 PolarHBondContact O-N 3.21Å; H228-I231 PolarHBondContact O-N 3.1Å; H228-G232 PolarHBondContact O-N 3.49Å
229V98.2Very high97.8Very high78 Ų7864 Ų6447%0.47333%0.33SS..Hα-helixtrans-61.9-48.4172.5175.50000111E225 E226 T227 I231 G232 E233E225-V229 WeakPolarHBondContact O-CG2 3.46Å; E225-V229 PolarHBondContact O-N 3.29Å; E226-V229 PolarHBondContact O-N 2.9Å; T227-V229 VanDerWaalsContact C-N 3.34Å; V229-I231 VanDerWaalsContact C-N 3.3Å; V229-I231 PolarHBondContact O-N 3Å; V229-G232 CarbonylContact O-C 3.58Å; V229-G232 WeakPolarHBondContact O-CA 3.25Å; V229-G232 PolarHBondContact O-N 2.93Å; V229-E233 PolarHBondContact O-N 3.3Å
230Q97.9Very high97.7Very high45 Ų4568.7 Ų68.721%0.2134%0.342CS..Hα-helixtrans-55.5-41.9175.3-69.7169.2-17.500112.4E89 E226 T227 G232 E233 V234E89-Q230 PolarHBondContact OE1-NE2 3.07Å; E226-Q230 WeakPolarHBondContact O-CG 3.46Å; E226-Q230 PolarHBondContact O-N 3.22Å; E226-Q230 VanDerWaalsContact O-N 3.09Å; T227-Q230 PolarHBondContact O-N 3.44Å; T227-Q230 PolarHBondContact OG1-OE1 2.88Å; Q230-G232 VanDerWaalsContact C-N 3.33Å; Q230-G232 PolarHBondContact O-N 3.05Å; Q230-E233 WeakPolarHBondContact O-CB 3.42Å; Q230-E233 PolarHBondContact O-N 3.32Å; Q230-V234 WeakPolarHBondContact O-CG2 3.41Å; Q230-V234 PolarHBondContact O-N 2.93Å
231I98.2Very high97.6Very high23 Ų2369.4 Ų69.412%0.11835%0.348CS..Hα-helixtrans-62.6-42176.2-70.9164.8000110.7L83 C86 H87 T227 H228 V229 E233 V234 H235L83-I231 HydrophobicContact CD1-CB 4.28Å; L83-I231 HydrophobicContact CD1-CD1 4.4Å; L83-I231 HydrophobicContact CD1-CG1 3.76Å; L83-I231 HydrophobicContact CD1-CG2 3.82Å; C86-I231 HydrophobicContact CB-CG1 3.91Å; H87-I231 WeakPolarHBondContact NE2-CD1 3.43Å; T227-I231 HydrophobicContact CG2-CD1 3.91Å; T227-I231 HydrophobicContact CG2-CG1 4.32Å; T227-I231 WeakPolarHBondContact O-CD1 3.49Å; T227-I231 VanDerWaalsContact O-CG1 3.22Å; T227-I231 WeakPolarHBondContact O-CG1 3.16Å; T227-I231 PolarHBondContact O-N 3.24Å; H228-I231 PolarHBondContact O-N 3.1Å; V229-I231 VanDerWaalsContact C-N 3.3Å; V229-I231 PolarHBondContact O-N 3Å; I231-E233 VanDerWaalsContact C-N 3.34Å; I231-E233 PolarHBondContact O-N 3.37Å; I231-V234 PolarHBondContact O-N 2.84Å; I231-H235 PolarHBondContact O-N 3.01Å
232G96.1Very high97.4Very high26 Ų2667.1 Ų67.127%0.26834%0.335SS..Hα-helixtrans-60-39.9172.300000113.1H228 V229 Q230 H235 N236H228-G232 PolarHBondContact O-N 3.49Å; V229-G232 CarbonylContact O-C 3.58Å; V229-G232 WeakPolarHBondContact O-CA 3.25Å; V229-G232 PolarHBondContact O-N 2.93Å; Q230-G232 VanDerWaalsContact C-N 3.33Å; Q230-G232 PolarHBondContact O-N 3.05Å; G232-H235 PolarHBondContact O-N 3.4Å; G232-N236 WeakPolarHBondContact O-CB 3.22Å; G232-N236 PolarHBondContact O-N 3.37Å; G232-N236 PolarHBondContact O-ND2 2.99Å
233E98.1Very high97.2Very high123 Ų12368 Ų6858%0.57534%0.34SS*.Hα-helixtrans-64.2-43.3174.9-67.5-177.7151.300112.1V229 Q230 I231 H235 N236 E237V229-E233 PolarHBondContact O-N 3.3Å; Q230-E233 WeakPolarHBondContact O-CB 3.42Å; Q230-E233 PolarHBondContact O-N 3.32Å; I231-E233 VanDerWaalsContact C-N 3.34Å; I231-E233 PolarHBondContact O-N 3.37Å; E233-H235 PolarHBondContact O-N 3.31Å; E233-N236 PolarHBondContact O-N 3.13Å; E233-E237 WeakPolarHBondContact O-CB 3.35Å; E233-E237 PolarHBondContact O-N 2.8Å
234V98.4Very high96.9Very high14 Ų1473.3 Ų73.39%0.08537%0.367CS..Hα-helixtrans-62.7-41.6175.9174.80000111.5K82 L83 Q230 I231 E237 F238K82-V234 HydrophobicContact CB-CG1 3.81Å; K82-V234 HydrophobicContact CB-CG2 3.85Å; L83-V234 HydrophobicContact CB-CG1 4.23Å; Q230-V234 WeakPolarHBondContact O-CG2 3.41Å; Q230-V234 PolarHBondContact O-N 2.93Å; I231-V234 PolarHBondContact O-N 2.84Å; V234-E237 PolarHBondContact O-N 2.91Å; V234-F238 WeakPolarHBondContact O-CB 3.25Å; V234-F238 PolarHBondContact O-N 3.26Å
235H97.2Very high96.7Very high95 Ų9573.3 Ų73.344%0.4437%0.367SS..Hα-helixtrans-63-44.2174.8-67.5171.5000112.1I231 G232 E233 E237 F238 V239I231-H235 PolarHBondContact O-N 3.01Å; G232-H235 PolarHBondContact O-N 3.4Å; E233-H235 PolarHBondContact O-N 3.31Å; H235-E237 PolarHBondContact O-N 2.83Å; H235-F238 PolarHBondContact O-N 3.31Å; H235-V239 WeakPolarHBondContact O-CG2 3.43Å; H235-V239 PolarHBondContact O-N 2.64Å
236N97.7Very high96.5Very high101 Ų10170.2 Ų70.254%0.5436%0.358SS..Hα-helixtrans-68.6-30.8176.8-75.7-61.7000112.9G232 E233 R240G232-N236 WeakPolarHBondContact O-CB 3.22Å; G232-N236 PolarHBondContact O-N 3.37Å; G232-N236 PolarHBondContact O-ND2 2.99Å; E233-N236 PolarHBondContact O-N 3.13Å; N236-R240 WeakPolarHBondContact O-CG 3.41Å; N236-R240 PolarHBondContact O-N 3.15Å; N236-R240 PolarHBondContact O-NE 2.84Å
237E97.8Very high96.3Very high56 Ų5674.3 Ų74.326%0.26238%0.378SS..Hα-helixtrans-67.1-43.9169.1-159.2-154.6116.600111.6K82 E233 V234 H235 V239 R240 N241K82-E237 IonicContact NZ-OE1 2.73Å; K82-E237 PolarHBondContact NZ-OE1 2.85Å; K82-E237 IonicContact NZ-OE2 2.67Å; K82-E237 PolarHBondContact NZ-OE2 3.36Å; E233-E237 WeakPolarHBondContact O-CB 3.35Å; E233-E237 PolarHBondContact O-N 2.8Å; V234-E237 PolarHBondContact O-N 2.91Å; H235-E237 PolarHBondContact O-N 2.83Å; E237-V239 PolarHBondContact O-N 2.88Å; E237-R240 PolarHBondContact O-N 2.9Å; E237-N241 WeakPolarHBondContact O-CB 3.35Å; E237-N241 PolarHBondContact O-N 3.02Å; E237-N241 PolarHBondContact O-ND2 3.3Å; E237-N241 PolarHBondContact OE1-ND2 2.95Å
238F97.7Very high96.2Very high46 Ų4681.6 Ų81.620%0.20241%0.411CS..Hα-helixtrans-59.2-47.1178.2179.3-113.1000112.5I75 F76 S79 V234 H235 R240 N241 I242I75-F238 HydrophobicContact CG2-CD2 3.94Å; I75-F238 HydrophobicContact CG2-CE2 3.91Å; F76-F238 HydrophobicContact CD1-CE2 4.11Å; F76-F238 AromaticContact CD1-CZ 3.74Å; F76-F238 HydrophobicContact CD1-CZ 3.74Å; F76-F238 HydrophobicContact CE1-CE1 4.39Å; F76-F238 HydrophobicContact CE1-CE2 4.37Å; F76-F238 AromaticContact CE1-CZ 3.57Å; F76-F238 HydrophobicContact CE1-CZ 3.57Å; F76-F238 HydrophobicContact CE2-CZ 4.41Å; F76-F238 HydrophobicContact CG-CE2 4.27Å; F76-F238 HydrophobicContact CG-CZ 4.26Å; F76-F238 AromaticContact CZ-CZ 3.93Å; F76-F238 HydrophobicContact CZ-CZ 3.93Å; S79-F238 VanDerWaalsContact CB-CD2 3.44Å; S79-F238 WeakPolarHBondContact OG-CB 3.46Å; V234-F238 WeakPolarHBondContact O-CB 3.25Å; V234-F238 PolarHBondContact O-N 3.26Å; H235-F238 PolarHBondContact O-N 3.31Å; F238-R240 PolarHBondContact O-N 2.92Å; F238-N241 PolarHBondContact O-N 3.08Å; F238-I242 HydrophobicContact CD2-CG1 4.32Å; F238-I242 HydrophobicContact CE1-CG1 4.16Å; F238-I242 HydrophobicContact CE2-CD1 3.85Å; F238-I242 HydrophobicContact CE2-CG1 3.91Å; F238-I242 HydrophobicContact CZ-CD1 3.84Å; F238-I242 HydrophobicContact CZ-CG1 3.81Å; F238-I242 WeakPolarHBondContact O-CG1 3.46Å; F238-I242 PolarHBondContact O-N 3.34Å
239V97.4Very high96Very high72 Ų7277.8 Ų77.844%0.43640%0.399SS..Hα-helixtrans-55.3-51.8175.6172.70000110.8H235 E237 N241 I242 E243H235-V239 WeakPolarHBondContact O-CG2 3.43Å; H235-V239 PolarHBondContact O-N 2.64Å; E237-V239 PolarHBondContact O-N 2.88Å; V239-N241 VanDerWaalsContact C-N 3.31Å; V239-N241 PolarHBondContact O-N 2.81Å; V239-I242 WeakPolarHBondContact O-CB 3.49Å; V239-I242 PolarHBondContact O-N 2.71Å; V239-I242 VanDerWaalsContact O-N 3.13Å; V239-E243 HydrophobicContact CG1-CG 4.37Å; V239-E243 WeakPolarHBondContact O-CG 3.3Å; V239-E243 PolarHBondContact O-N 2.89Å
240R96.9Very high95.9Very high135 Ų13575 Ų7551%0.50938%0.381SS..Hα-helixtrans-60.9-36.9178-70.7175.9-67.21793113N236 E237 F238 I242 E243 N244N236-R240 WeakPolarHBondContact O-CG 3.41Å; N236-R240 PolarHBondContact O-N 3.15Å; N236-R240 PolarHBondContact O-NE 2.84Å; E237-R240 PolarHBondContact O-N 2.9Å; F238-R240 PolarHBondContact O-N 2.92Å; R240-I242 VanDerWaalsContact C-N 3.35Å; R240-E243 PolarHBondContact O-N 2.9Å; R240-N244 VanDerWaalsContact O-CB 3.28Å; R240-N244 WeakPolarHBondContact O-CB 3.47Å; R240-N244 PolarHBondContact O-N 2.81Å; R240-N244 PolarHBondContact O-ND2 2.85Å
241N95.6Very high95.7Very high49 Ų4977.4 Ų77.426%0.26239%0.394SS..Hα-helixtrans-68.9-33.4177.8-68.5-21.8000112.1I75 E237 F238 V239 T245I75-N241 HydrophobicContact CG2-CB 3.64Å; E237-N241 WeakPolarHBondContact O-CB 3.35Å; E237-N241 PolarHBondContact O-N 3.02Å; E237-N241 PolarHBondContact O-ND2 3.3Å; E237-N241 PolarHBondContact OE1-ND2 2.95Å; F238-N241 PolarHBondContact O-N 3.08Å; V239-N241 VanDerWaalsContact C-N 3.31Å; V239-N241 PolarHBondContact O-N 2.81Å; N241-T245 PolarHBondContact O-N 2.92Å; N241-T245 PolarHBondContact O-OG1 3.4Å
242I94.1Very high95.5Very high57 Ų5781.2 Ų81.229%0.29241%0.411SS..Hα-helixtrans-68.7-48.6171-63.2-66.8000110.4M72 I75 F238 V239 R240 N244 T245M72-I242 HydrophobicContact CE-CD1 3.49Å; M72-I242 VanDerWaalsContact CE-CD1 3.49Å; M72-I242 HydrophobicContact CE-CG2 4.28Å; I75-I242 HydrophobicContact CD1-CD1 4.46Å; I75-I242 HydrophobicContact CG2-CD1 4.08Å; F238-I242 HydrophobicContact CD2-CG1 4.32Å; F238-I242 HydrophobicContact CE1-CG1 4.16Å; F238-I242 HydrophobicContact CE2-CD1 3.85Å; F238-I242 HydrophobicContact CE2-CG1 3.91Å; F238-I242 HydrophobicContact CZ-CD1 3.84Å; F238-I242 HydrophobicContact CZ-CG1 3.81Å; F238-I242 WeakPolarHBondContact O-CG1 3.46Å; F238-I242 PolarHBondContact O-N 3.34Å; V239-I242 WeakPolarHBondContact O-CB 3.49Å; V239-I242 PolarHBondContact O-N 2.71Å; V239-I242 VanDerWaalsContact O-N 3.13Å; R240-I242 VanDerWaalsContact C-N 3.35Å; I242-N244 VanDerWaalsContact C-N 3.33Å; I242-N244 PolarHBondContact O-N 2.86Å; I242-T245 PolarHBondContact O-N 2.91Å
243E93.3Very high95.3Very high138 Ų13885.8 Ų85.865%0.64542%0.424SS*.Hα-helixtrans-59.1-40.1178.5-69.5171153.100112.9V239 R240 T245V239-E243 HydrophobicContact CG1-CG 4.37Å; V239-E243 WeakPolarHBondContact O-CG 3.3Å; V239-E243 PolarHBondContact O-N 2.89Å; R240-E243 PolarHBondContact O-N 2.9Å; E243-T245 PolarHBondContact O-N 3.44Å
244N93.3Very high95.1Very high128 Ų12882.6 Ų82.668%0.68441%0.411SS*.THydrogen-bonded Turntrans-68.7-19.2176.2-74.5-35.2000113.5R240 I242 S246R240-N244 VanDerWaalsContact O-CB 3.28Å; R240-N244 WeakPolarHBondContact O-CB 3.47Å; R240-N244 PolarHBondContact O-N 2.81Å; R240-N244 PolarHBondContact O-ND2 2.85Å; I242-N244 VanDerWaalsContact C-N 3.33Å; I242-N244 PolarHBondContact O-N 2.86Å; N244-S246 PolarHBondContact O-N 2.97Å
245T93.1Very high94.9Very high36 Ų3685.4 Ų85.422%0.22143%0.431CS..SBendtrans-97.370.6-176-52.20000110.2M72 I75 N241 I242 E243 L250M72-T245 HydrophobicContact SD-CG2 3.49Å; M72-T245 WeakPolarHBondContact SD-CG2 3.42Å; I75-T245 HydrophobicContact CD1-CG2 4.05Å; I75-T245 VanDerWaalsContact CD1-OG1 3.23Å; I75-T245 WeakPolarHBondContact CD1-OG1 3.24Å; N241-T245 PolarHBondContact O-N 2.92Å; N241-T245 PolarHBondContact O-OG1 3.4Å; I242-T245 PolarHBondContact O-N 2.91Å; E243-T245 PolarHBondContact O-N 3.44Å; T245-L250 HydrophobicContact CG2-CD1 4.35Å; T245-L250 HydrophobicContact CG2-CD2 3.71Å; T245-L250 HydrophobicContact CG2-CG 4Å
246S92.6Very high94.7Very high54 Ų5486.9 Ų86.938%0.37844%0.438SS..  trans-62.2153.3-17573.10000113.4N244 E248 S249 L250N244-S246 PolarHBondContact O-N 2.97Å; S246-E248 PolarHBondContact O-N 3.36Å; S246-S249 PolarHBondContact N-OG 2.94Å; S246-S249 WeakPolarHBondContact O-CB 3.48Å; S246-S249 PolarHBondContact O-N 3.34Å; S246-S249 PolarHBondContact O-OG 2.98Å; S246-S249 WeakPolarHBondContact OG-CB 3.44Å; S246-S249 PolarHBondContact OG-N 2.85Å; S246-L250 PolarHBondContact O-N 3Å; S246-L250 VanDerWaalsContact O-N 3.13Å
247E94.6Very high94.5Very high162 Ų16285.8 Ų85.876%0.75744%0.439SS*.Hα-helixtrans-54.5-41.6175.1-59.9-179.9171.800112S249 L250 I251E247-S249 PolarHBondContact O-N 3.48Å; E247-L250 PolarHBondContact O-N 2.89Å; E247-I251 WeakPolarHBondContact O-CB 3.29Å; E247-I251 VanDerWaalsContact O-CG1 3.27Å; E247-I251 WeakPolarHBondContact O-CG1 3.34Å; E247-I251 PolarHBondContact O-N 3.32Å
248E93.9Very high94.2Very high153 Ų15390 Ų9072%0.71546%0.456SS*.Hα-helixtrans-58.8-45.3174.8-176.7174.3-151.400111.7S246 L250 I251 Q252S246-E248 PolarHBondContact O-N 3.36Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-L250 PolarHBondContact O-N 3.06Å; E248-I251 PolarHBondContact O-N 3.44Å; E248-Q252 WeakPolarHBondContact O-CB 3.41Å; E248-Q252 PolarHBondContact O-N 2.9Å
249S94.4Very high93.9Very high43 Ų4390.4 Ų90.430%0.30147%0.473SS..Hα-helixtrans-63.1-37.3178.579.50000112.5S246 E247 K253S246-S249 PolarHBondContact N-OG 2.94Å; S246-S249 WeakPolarHBondContact O-CB 3.48Å; S246-S249 PolarHBondContact O-N 3.34Å; S246-S249 PolarHBondContact O-OG 2.98Å; S246-S249 WeakPolarHBondContact OG-CB 3.44Å; S246-S249 PolarHBondContact OG-N 2.85Å; E247-S249 PolarHBondContact O-N 3.48Å; S249-K253 WeakPolarHBondContact O-CB 3.24Å; S249-K253 PolarHBondContact O-N 3.26Å
250L94.7Very high93.7Very high19 Ų1994.3 Ų94.310%0.09950%0.497CS..Hα-helixtrans-71.1-42.7177.4-66.1174000111.7T68 P71 M72 T245 S246 E247 E248 K253 L254T68-L250 HydrophobicContact CG2-CB 4Å; P71-L250 HydrophobicContact CB-CD2 3.86Å; P71-L250 HydrophobicContact CG-CD2 3.85Å; M72-L250 HydrophobicContact CG-CD1 4.11Å; M72-L250 HydrophobicContact SD-CD1 3.84Å; M72-L250 HydrophobicContact SD-CD2 4.2Å; T245-L250 HydrophobicContact CG2-CD1 4.35Å; T245-L250 HydrophobicContact CG2-CD2 3.71Å; T245-L250 HydrophobicContact CG2-CG 4Å; S246-L250 PolarHBondContact O-N 3Å; S246-L250 VanDerWaalsContact O-N 3.13Å; E247-L250 PolarHBondContact O-N 2.89Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-L250 PolarHBondContact O-N 3.06Å; L250-K253 PolarHBondContact O-N 2.95Å; L250-L254 PolarHBondContact O-N 3.05Å
251I95.1Very high93.4Very high96 Ų9690.5 Ų90.549%0.49250%0.499SS..Hα-helixtrans-66.1-41.7176.9-68.6166.3000110.7T68 E247 E248 L254 S255T68-I251 HydrophobicContact CG2-CG1 4.05Å; E247-I251 WeakPolarHBondContact O-CB 3.29Å; E247-I251 VanDerWaalsContact O-CG1 3.27Å; E247-I251 WeakPolarHBondContact O-CG1 3.34Å; E247-I251 PolarHBondContact O-N 3.32Å; E248-I251 PolarHBondContact O-N 3.44Å; I251-L254 PolarHBondContact O-N 2.9Å; I251-S255 WeakPolarHBondContact O-CB 3.43Å; I251-S255 PolarHBondContact O-N 3.45Å; I251-S255 PolarHBondContact O-OG 3.33Å
252Q93.9Very high93.2Very high102 Ų10297.9 Ų97.948%0.47753%0.529SS..Hα-helixtrans-60.2-51.8173.1-179.8179.5-3.700110.6E248 L254 S255 E256E248-Q252 WeakPolarHBondContact O-CB 3.41Å; E248-Q252 PolarHBondContact O-N 2.9Å; Q252-L254 VanDerWaalsContact C-N 3.28Å; Q252-L254 PolarHBondContact O-N 3.25Å; Q252-S255 WeakPolarHBondContact O-CB 3.38Å; Q252-S255 PolarHBondContact O-N 2.83Å; Q252-E256 HydrophobicContact CG-CG 4.26Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.36Å; Q252-E256 PolarHBondContact NE2-OE1 3.15Å; Q252-E256 WeakPolarHBondContact O-CG 3.43Å; Q252-E256 PolarHBondContact O-N 2.78Å
253K92.4Very high93Very high122 Ų122104 Ų10453%0.5356%0.557SS.*Hα-helixtrans-61.2-34.1-178.3-164.8175.4-171.5179.10112.6P71 S249 L250 S257P71-K253 HydrophobicContact CG-CD 4.07Å; S249-K253 WeakPolarHBondContact O-CB 3.24Å; S249-K253 PolarHBondContact O-N 3.26Å; L250-K253 PolarHBondContact O-N 2.95Å; K253-S257 VanDerWaalsContact O-CB 3.29Å; K253-S257 WeakPolarHBondContact O-CB 3.42Å; K253-S257 PolarHBondContact O-N 3.09Å; K253-S257 PolarHBondContact O-OG 3.26Å
254L93.9Very high92.7Very high56 Ų56108.3 Ų108.329%0.29357%0.567SS.*Hα-helixtrans-69.4-46.1170.4-178.664.4000111.8T68 L250 I251 Q252 E256 S257 K258T68-L254 HydrophobicContact CG2-CB 4.19Å; T68-L254 HydrophobicContact CG2-CD2 4.03Å; T68-L254 WeakPolarHBondContact OG1-CD2 3.42Å; L250-L254 PolarHBondContact O-N 3.05Å; I251-L254 PolarHBondContact O-N 2.9Å; Q252-L254 VanDerWaalsContact C-N 3.28Å; Q252-L254 PolarHBondContact O-N 3.25Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 3.3Å; L254-S257 PolarHBondContact O-N 3.34Å; L254-S257 PolarHBondContact O-OG 2.89Å; L254-K258 HydrophobicContact CD1-CB 4.14Å; L254-K258 HydrophobicContact CD1-CG 3.71Å; L254-K258 WeakPolarHBondContact O-CB 3.44Å; L254-K258 PolarHBondContact O-N 3.26Å
255S93.6Very high92.6Very high74 Ų74108.6 Ų108.652%0.51758%0.576SS.*Hα-helixtrans-62.5-36.4-178.9-590000112.6I251 Q252 G259I251-S255 WeakPolarHBondContact O-CB 3.43Å; I251-S255 PolarHBondContact O-N 3.45Å; I251-S255 PolarHBondContact O-OG 3.33Å; Q252-S255 WeakPolarHBondContact O-CB 3.38Å; Q252-S255 PolarHBondContact O-N 2.83Å; S255-G259 VanDerWaalsContact O-CA 3.25Å; S255-G259 WeakPolarHBondContact O-CA 3.24Å; S255-G259 PolarHBondContact O-N 2.9Å
256E93.3Very high92.2Very high125 Ų125109.4 Ų109.458%0.58459%0.591SS**Hα-helixtrans-76-34.3176.9-70.1175.5170.600112.8Q252 L254Q252-E256 HydrophobicContact CG-CG 4.26Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.36Å; Q252-E256 PolarHBondContact NE2-OE1 3.15Å; Q252-E256 WeakPolarHBondContact O-CG 3.43Å; Q252-E256 PolarHBondContact O-N 2.78Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 3.3Å
257S92.2Very high91.7Very high79 Ų79112.5 Ų112.555%0.55261%0.61SS**Hα-helixtrans-91.1-17.4-177.163.10000115.1K253 L254K253-S257 VanDerWaalsContact O-CB 3.29Å; K253-S257 WeakPolarHBondContact O-CB 3.42Å; K253-S257 PolarHBondContact O-N 3.09Å; K253-S257 PolarHBondContact O-OG 3.26Å; L254-S257 PolarHBondContact O-N 3.34Å; L254-S257 PolarHBondContact O-OG 2.89Å
258K92.6Very high91.2Very high145 Ų145113 Ų11363%0.6362%0.616SS**Hα-helixtrans-130.21.5-178.6-59.5-63.6175.9-1710114.7L254 T260L254-K258 HydrophobicContact CD1-CB 4.14Å; L254-K258 HydrophobicContact CD1-CG 3.71Å; L254-K258 WeakPolarHBondContact O-CB 3.44Å; L254-K258 PolarHBondContact O-N 3.26Å; K258-T260 PolarHBondContact O-N 3Å
259G90.8Very high90.8Very high53 Ų53113.6 Ų113.655%0.54662%0.619SS.*  trans-60.9132.9177.800000112.7S255 G261S255-G259 VanDerWaalsContact O-CA 3.25Å; S255-G259 WeakPolarHBondContact O-CA 3.24Å; S255-G259 PolarHBondContact O-N 2.9Å; G259-G261 VanDerWaalsContact C-N 3.3Å; G259-G261 PolarHBondContact O-N 3.46Å
260T93.9Very high90.1Very high155 Ų155120 Ų12095%0.95164%0.642SS**  trans-80.5-9.6-178.250.10000114K258K258-T260 PolarHBondContact O-N 3Å
261G90.1Very high89.4Confident54 Ų54127.8 Ų127.856%0.55768%0.678SS**  trans152.2154.2-178.200000110.5G259G259-G261 VanDerWaalsContact C-N 3.3Å; G259-G261 PolarHBondContact O-N 3.46Å
262K90.2Very high88.4Confident204 Ų204130.6 Ų130.689%0.88769%0.689SS**SBendtrans-97-13.7170.3-66.9-172.8178.9-177.10112.6
263E90.8Very high86.7Confident186 Ų186131.2 Ų131.287%0.86970%0.703SS**PPolyproline II helixtrans-74.2133.5175.2-66.2176.3-169.300110.1
264R87.2Confident85.3Confident229 Ų229130.2 Ų130.286%0.86470%0.703SS**PPolyproline II helixtrans-83.1155.3171-64.6-179.8179.8179.6-0.6108.9G266R264-G266 PolarHBondContact O-N 2.83Å; R264-G266 VanDerWaalsContact O-N 3.14Å
265P90.8Very high83.4Confident133 Ų133133 Ų13386%0.86472%0.723SS**PPolyproline II helixtrans-49.9123.8168.4-25.935000110.2
266G85.4Confident81.7Confident53 Ų53133.2 Ų133.255%0.54673%0.729SS.*PPolyproline II helixtrans-65.3157.9-178.700000112R264 I268R264-G266 PolarHBondContact O-N 2.83Å; R264-G266 VanDerWaalsContact O-N 3.14Å; G266-I268 PolarHBondContact O-N 3.17Å
267P81.5Confident80Confident120 Ų120133.4 Ų133.478%0.77973%0.732SS**PPolyproline II helixtrans-58.7127.3170.227-33.5000109.3E269P267-E269 PolarHBondContact O-N 2.78Å
268I83.6Confident78Confident173 Ų173133.5 Ų133.589%0.88774%0.738SS**  trans-86.199.2174.9-56.9176.5000107G266G266-I268 PolarHBondContact O-N 3.17Å
269E86.4Confident76Confident164 Ų164132.5 Ų132.577%0.76674%0.744SS**  trans-75154.6171.3-63.2-173.7169.800110.5P267 E271P267-E269 PolarHBondContact O-N 2.78Å; E269-E271 PolarHBondContact O-N 2.95Å; E269-E271 VanDerWaalsContact O-N 3.12Å
270F80Confident73.9Confident179 Ų179138.3 Ų138.379%0.78576%0.757SS**  trans-75.9100.3177.9175.5-110.6000109.9E272F270-E272 HydrophobicContact CD1-CG 3.99Å; F270-E272 HydrophobicContact CE1-CG 3.64Å; F270-E272 PolarHBondContact O-N 3.39Å; F270-E272 VanDerWaalsContact O-N 3.14Å
271E78.6Confident71.6Confident182 Ų182134.1 Ų134.185%0.8575%0.745SS**  trans-71.7102.6173-168.7173.7-150.200109.4E269 C273E269-E271 PolarHBondContact O-N 2.95Å; E269-E271 VanDerWaalsContact O-N 3.12Å; E271-C273 PolarHBondContact O-N 2.78Å
272E74.1Confident69.7Low155 Ų155136.9 Ų136.972%0.72476%0.763SS**  trans-56.8131.2175.6-83.7-171.6172.800110.7F270 N274F270-E272 HydrophobicContact CD1-CG 3.99Å; F270-E272 HydrophobicContact CE1-CG 3.64Å; F270-E272 PolarHBondContact O-N 3.39Å; F270-E272 VanDerWaalsContact O-N 3.14Å; E272-N274 PolarHBondContact O-N 3.24Å
273C59.5Low67.8Low115 Ų115135.8 Ų135.878%0.77776%0.758SS**  trans-65.499.5-179-172.80000110E271 T275E271-C273 PolarHBondContact O-N 2.78Å; C273-T275 PolarHBondContact O-N 3.28Å
274N62.4Low65.8Low100 Ų100133.2 Ų133.254%0.53576%0.757SS.*  trans-59.1101.9-174.4-173.5-12000110.8E272 A276 I277E272-N274 PolarHBondContact O-N 3.24Å; N274-A276 PolarHBondContact O-N 3.35Å; N274-A276 VanDerWaalsContact O-N 3.09Å; N274-A276 WeakPolarHBondContact OD1-CB 3.34Å; N274-A276 PolarHBondContact OD1-N 3.09Å; N274-I277 HydrophobicContact CB-CD1 4.15Å; N274-I277 HydrophobicContact CB-CG1 4.35Å; N274-I277 WeakPolarHBondContact O-CB 3.39Å; N274-I277 PolarHBondContact O-N 3.21Å
275T54.8Low63.8Low116 Ų116134.2 Ų134.271%0.71276%0.761SS**G310 helixtrans-65.6-16.5-170.350.80000113.4C273 I277 A278C273-T275 PolarHBondContact O-N 3.28Å; T275-I277 PolarHBondContact O-N 3.45Å; T275-A278 WeakPolarHBondContact O-CB 3.33Å; T275-A278 PolarHBondContact O-N 2.96Å; T275-A278 VanDerWaalsContact O-N 3.12Å
276A58.3Low61.6Low77 Ų77137.3 Ų137.364%0.63676%0.761SS**G310 helixtrans-64.9-15.6169.500000113.7N274N274-A276 PolarHBondContact O-N 3.35Å; N274-A276 VanDerWaalsContact O-N 3.09Å; N274-A276 WeakPolarHBondContact OD1-CB 3.34Å; N274-A276 PolarHBondContact OD1-N 3.09Å
277I55.8Low59.8Low129 Ų129146.4 Ų146.466%0.66278%0.779SS**G310 helixtrans-92.2-14.8175.8-53.1-179.8000111.1N274 T275 T279N274-I277 HydrophobicContact CB-CD1 4.15Å; N274-I277 HydrophobicContact CB-CG1 4.35Å; N274-I277 WeakPolarHBondContact O-CB 3.39Å; N274-I277 PolarHBondContact O-N 3.21Å; T275-I277 PolarHBondContact O-N 3.45Å; I277-T279 PolarHBondContact O-N 3.39Å
278A50.8Low57.8Low82 Ų82150.3 Ų150.368%0.67878%0.783SS**THydrogen-bonded Turntrans-76.7-3.1-175.900000114.7T275T275-A278 WeakPolarHBondContact O-CB 3.33Å; T275-A278 PolarHBondContact O-N 2.96Å; T275-A278 VanDerWaalsContact O-N 3.12Å
279T51Low55.6Low123 Ų123148.5 Ų148.576%0.75578%0.78SS**THydrogen-bonded Turntrans-118.2-5.3-172.947.50000115.4I277I277-T279 PolarHBondContact O-N 3.39Å
280E46.9Very low53.3Low175 Ų175150.4 Ų150.482%0.81879%0.787SS**SBendtrans-100.1128.7168.3-100-152.3126.200112.1
281G46.4Very low51.2Low68 Ų68145.1 Ų145.170%0.70178%0.782SS**PPolyproline II helixtrans-67.3147.3-170.100000114.9K283G281-K283 PolarHBondContact O-N 3.31Å
282A50.2Low49.6Very low111 Ų111144.4 Ų144.492%0.91778%0.783SS**PPolyproline II helixtrans-55128.8-175.700000113.8
283K48.5Very low47.8Very low182 Ų182142.9 Ų142.979%0.79179%0.786SS**  trans-123.6134.8162.7-71.6176.2-178164.80109G281 R285G281-K283 PolarHBondContact O-N 3.31Å; K283-R285 PolarHBondContact O-N 3.41Å
284P48.7Very low46.6Very low131 Ų131141.1 Ų141.185%0.85179%0.787SS**  trans-72.2112.3-165.727.1-34.8000112.3
285R46.3Very low45.4Very low250 Ų250148.4 Ų148.494%0.94381%0.807SS**PPolyproline II helixtrans-77.9121.6169.3-84.7-177.7166.1169.4-2.3110.1K283K283-R285 PolarHBondContact O-N 3.41Å
286K44.8Very low44.5Very low198 Ų198154.8 Ų154.886%0.86182%0.818SS**PPolyproline II helixtrans-62.1148.9179.1-63.4177.2178179.90111.3K288K286-K288 PolarHBondContact O-N 2.79Å
287R47.1Very low43.4Very low245 Ų245159.4 Ų159.493%0.92582%0.824SS**PPolyproline II helixtrans-47127.7168.8-89.8176.4160171.7-7.1110.2
288K39.7Very low42.5Very low202 Ų202158.7 Ų158.788%0.87882%0.822SS**PPolyproline II helixtrans-77.3121.4160.8-78.5-175.3175-179.50108.4K286K286-K288 PolarHBondContact O-N 2.79Å
289T37.8Very low41.8Very low134 Ų134164 Ų16482%0.82283%0.829SS**PPolyproline II helixtrans-69.5142.6166.9-50.90000109.5G291T289-G291 PolarHBondContact O-N 2.84Å; T289-G291 VanDerWaalsContact O-N 3.17Å
290F37.6Very low41Very low205 Ų205163.9 Ų163.990%0.89982%0.824SS**  trans-63.8113.5167.5-93.1-100.7000109.4
291G36.5Very low40.4Very low67 Ų67162.2 Ų162.269%0.69183%0.826SS**PPolyproline II helixtrans-84.7122.217600000111T289 P293T289-G291 PolarHBondContact O-N 2.84Å; T289-G291 VanDerWaalsContact O-N 3.17Å; G291-P293 VanDerWaalsContact O-CD 3.29Å; G291-P293 WeakPolarHBondContact O-CD 3.39Å
292I44.8Very low39.7Very low168 Ų168165.5 Ų165.586%0.86283%0.828SS**PPolyproline II helixtrans-72.6118170.8-59.2173.3000108.4
293P36.3Very low39Very low122 Ų122165.8 Ų165.879%0.79282%0.823SS**PPolyproline II helixtrans-76.5133.5173.6-10.128000110G291G291-P293 VanDerWaalsContact O-CD 3.29Å; G291-P293 WeakPolarHBondContact O-CD 3.39Å
294G33.6Very low38.3Very low78 Ų78162.8 Ų162.880%0.80482%0.82SS**  trans129.833.2161.500000119.8
295R36.5Very low37.3Very low254 Ų254164.5 Ų164.596%0.95882%0.816SS**  trans-124.987.4159.5-149.1178.6-160.3-130.84.9111.2
296R36.8Very low36.7Very low250 Ų250157.3 Ų157.394%0.94381%0.805SS**  trans-81139.5171-65.9-176.6-179.8-1780.5109.7
297K36.5Very low36.1Very low174 Ų174153.5 Ų153.576%0.75780%0.798SS**  trans-149.2161.6159.2-154.5-171.2169.2-91.50108.8
298D35.1Very low35.4Very low114 Ų114150 Ų15061%0.6179%0.792SS**  trans75.6110.6163.6-52.3-45.1000117.2
299K36.4Very low35.2Very low192 Ų192146.5 Ų146.584%0.83579%0.788SS**  -155.4151.393.4-164.6164.6-178.8178.10113
300D35.1Very low35.1Very low122 Ų122147 Ų14765%0.65279%0.785SS**  trans-66.5156.7-171.8-23.6-76.9000115.9
301T34.6Very low35.6Very low140 Ų140141.9 Ų141.986%0.85977%0.773SS**  -159.3127.7126.2330000112.2
302D30.8Very low35.4Very low137 Ų137142.5 Ų142.573%0.73377%0.771SS**  trans59.4113.3140.5-156.518.1000122.2
303S34.6Very low34.8Very low116 Ų116141.4 Ų141.481%0.81177%0.767SS**  -166123.7123.9-76.90000111.6
304T34Very low34.5Very low119 Ų119141.6 Ų141.673%0.7377%0.766SS**  trans-55.7167.5158.526.80000112.6
305E28.3Very low34.4Very low167 Ų167141.1 Ų141.178%0.7875%0.754SS**  cis-171.7161.82.4149.1-179.6-176.700108.5
306S34.1Very low34.1Very low100 Ų100136.9 Ų136.970%0.69975%0.751SS**  trans150110.5142.3-67.90000113.9
307T33.1Very low33.7Very low117 Ų117129 Ų12972%0.71875%0.748SS**  trans57.2113.9141.7-17.70000118.1
308E31.7Very low33.3Very low173 Ų173125.1 Ų125.181%0.80875%0.748SS**  61.5148.657.1-53-17516100113.3
309V34.8Very low33.9Very low128 Ų128125.4 Ų125.478%0.77676%0.756SS**  cis-148.6158.111.7-97.80000108.5
310D35.9Very low34.1Very low143 Ų143122.1 Ų122.177%0.76575%0.754SS**  cis-154.6-118.7-16.9-174.223.6000111
311P48.1Very low33.7Very low99 Ų99119.6 Ų119.664%0.64376%0.757SS**  trans-135.3-166.3-143.646.1-25.9000118.3
312A32.8Very low33.4Very low80 Ų80124.2 Ų124.266%0.66176%0.76SS**  trans79141.7150.200000118.7
313N31.5Very low33.5Very low145 Ų145128.2 Ų128.278%0.77577%0.767SS**  cis-164.7170.1-8-112.2-23.7000107.1
314T30.4Very low33.1Very low125 Ų125126 Ų12677%0.76776%0.762SS**  cis-163.8173.612.4-1.70000106.6
315A30.8Very low32.9Very low68 Ų68126.1 Ų126.156%0.56277%0.768SS**  cis-162.8178.3-3.900000110.1
316N30.7Very low33.1Very low165 Ų165125.9 Ų125.988%0.88277%0.77SS**  trans53.2126.8144.2-58.4-16.1000122.5
317G28.6Very low33Very low85 Ų85127.4 Ų127.488%0.87677%0.771SS**  trans152.777.5154.200000117.3
318A28.2Very low33.3Very low92 Ų92129.2 Ų129.276%0.7677%0.774SS**  trans-140.4175.8173.700000109.6
319P47.3Very low33.7Very low121 Ų121128.7 Ų128.779%0.78677%0.772SS**  cis-119.1-129.1-3331-8.1000106.7
320P40.9Very low33.6Very low123 Ų123130.4 Ų130.480%0.79978%0.777SS**  cis-130-174-30.540.1-23.7000113.9
321G27Very low33.5Very low69 Ų69128 Ų12871%0.71178%0.777SS**  trans150.186.1135.400000121.2
322Y27.1Very low32.9Very low236 Ų236131.1 Ų131.193%0.92579%0.788SS**  trans76161.3140.1-127.5-101.7000121.7
323Y33.1Very low33.3Very low221 Ų221133.1 Ų133.187%0.86779%0.792SS**  trans-127.3143.3-165.9-140.6-101.9000109.1
324G27.3Very low33.7Very low69 Ų69130.7 Ų130.771%0.71178%0.784SS**  trans-160.499.1-174.800000116
325S30.2Very low34.4Very low122 Ų122132.4 Ų132.485%0.85378%0.783SS**  trans33.5121.4148.2-530000121.5
326I31.3Very low35.6Very low162 Ų162133 Ų13383%0.83178%0.779SS**  trans-82.2131.3153.1-62.6169.3000108.2
327D31.7Very low37.2Very low133 Ų133128.7 Ų128.771%0.71176%0.756SS**  trans-98.3148.4167.1-160-7.1000110.6
328I40.9Very low38.8Very low154 Ų154130 Ų13079%0.7976%0.759SS**  trans-115.879.1-175.7-56.7-180000108.7
329Q39.1Very low40.6Very low162 Ų162134 Ų13476%0.75776%0.762SS**  trans-15167.2173.6-113.2169105.600111.7
330N32.9Very low40.9Very low165 Ų165130.6 Ų130.688%0.88275%0.749SS**  trans-177.3110.2144.4-95.9-14.7000110
331A32.8Very low41.3Very low92 Ų92131.9 Ų131.976%0.7674%0.742SS**  trans-99.398.3175.700000110V333A331-V333 PolarHBondContact O-N 3.12Å; A331-V333 VanDerWaalsContact O-N 3.11Å
332N36.2Very low42.4Very low164 Ų164132.9 Ų132.988%0.87774%0.737SS**  trans-76.495.7170-92.34.9000110
333V40.5Very low43.5Very low123 Ų123127.6 Ų127.675%0.74572%0.724SS**  trans-84.8131.3166-177.60000108.2A331 Q335A331-V333 PolarHBondContact O-N 3.12Å; A331-V333 VanDerWaalsContact O-N 3.11Å; V333-Q335 PolarHBondContact O-N 3.21Å
334P41.1Very low44Very low94 Ų94128 Ų12861%0.6172%0.724SS**  trans-61.4130.6173.4-21.733.3000111V336P334-V336 PolarHBondContact O-N 2.99Å
335Q44Very low44.5Very low161 Ų161130.2 Ų130.275%0.75273%0.726SS**  trans-79.3115.9176.1-168.3168.9-0.100109.6V333V333-Q335 PolarHBondContact O-N 3.21Å
336V56.4Low44.6Very low79 Ų79133.7 Ų133.748%0.47973%0.728SS.*BIsolated β-bridgetrans-95.5150170.4-74.30000110.5P334 F341P334-V336 PolarHBondContact O-N 2.99Å; V336-F341 WeakPolarHBondContact CA-O 3.44Å
337D64.1Low44.6Very low75 Ų75132.6 Ų132.640%0.40173%0.729SS.*  trans-80.9-176.4172.761.725.9000112.7E339 G340 F341D337-E339 PolarHBondContact O-N 2.86Å; D337-E339 PolarHBondContact OD1-N 2.73Å; D337-E339 VanDerWaalsContact OD1-N 3.13Å; D337-G340 PolarHBondContact O-N 3.41Å; D337-G340 PolarHBondContact OD1-N 3.19Å; D337-F341 PolarHBondContact N-O 3.19Å; D337-F341 PolarHBondContact OD1-N 3.2Å
338A62.3Low44.5Very low112 Ų112133.6 Ų133.693%0.92673%0.734SS**THydrogen-bonded Turntrans-71.2-8.7-177.100000114.5
339E65.7Low43.8Very low177 Ų177134.5 Ų134.583%0.82774%0.735SS**THydrogen-bonded Turntrans-111.6-5.7176.7-62.6-170.3177.500112.7D337D337-E339 PolarHBondContact O-N 2.86Å; D337-E339 PolarHBondContact OD1-N 2.73Å; D337-E339 VanDerWaalsContact OD1-N 3.13Å
340G53.6Low43.3Very low49 Ų49135 Ų13551%0.50574%0.743SS.*SBendtrans106.716.5162.500000115.9D337D337-G340 PolarHBondContact O-N 3.41Å; D337-G340 PolarHBondContact OD1-N 3.19Å
341F49.6Very low43.2Very low150 Ų150133.9 Ų133.966%0.65874%0.737SS**PPolyproline II helixtrans-103.6145.3-177.9-67-85.9000112.9V336 D337V336-F341 WeakPolarHBondContact CA-O 3.44Å; D337-F341 PolarHBondContact N-O 3.19Å; D337-F341 PolarHBondContact OD1-N 3.2Å
342C50.9Low43.6Very low91 Ų91134.5 Ų134.562%0.61573%0.733SS**BIsolated β-bridgetrans-83.5122.3-178.5-64.80000111.4
343I49.4Very low43.4Very low125 Ų125134.8 Ų134.864%0.64173%0.727SS**PPolyproline II helixtrans-75.3138.1177.4-59.9170.5000110.2
344R43.7Very low43Very low229 Ų229135.2 Ų135.286%0.86473%0.725SS**PPolyproline II helixtrans-102.2130.6179.1-160.2-179.6-164.2-176.43.8109.9
345P38.7Very low42.4Very low116 Ų116137.5 Ų137.575%0.75373%0.732SS**PPolyproline II helixtrans-69.9138.1178.9-18.731.8000112.6
346E31.2Very low41.8Very low195 Ų195134.6 Ų134.691%0.91173%0.73SS**PPolyproline II helixtrans-83.8152.5158.3-63.6-170.5156.500109.8
347V31.9Very low40.5Very low138 Ų138139.4 Ų139.484%0.83674%0.744SS**  trans-133.3120.7174.8-179.80000107.9
348N29.1Very low38.8Very low155 Ų155144.3 Ų144.383%0.82976%0.758SS**  trans-85.6153.9178-141.927.9000110.4
349E27.4Very low37.4Very low172 Ų172144 Ų14480%0.80475%0.749SS**  trans-66151.5-173.3-57.9174.6119.800114
350N28.1Very low36.1Very low172 Ų172140.5 Ų140.592%0.9274%0.744SS**  trans-170.5122.7133-100.8-73.6000110.1
351D30Very low35.2Very low143 Ų143143.8 Ų143.877%0.76576%0.76SS**  trans-86.7174.3177-142.3-13.1000110.1K353D351-K353 PolarHBondContact OD1-N 2.91Å
352P40.9Very low34.5Very low105 Ų105143.6 Ų143.668%0.68277%0.766SS**  -148.8141.554.736.8-14000118.9
353K33.8Very low33.9Very low170 Ų170143.8 Ų143.874%0.73977%0.768SS**  trans73.4155.4137.3-70.2177.3178.5-171.60119.7D351D351-K353 PolarHBondContact OD1-N 2.91Å
354D30.4Very low33.4Very low131 Ų131147.4 Ų147.470%0.70178%0.782SS**  cis-147.1178.58.9-133.6-37.8000113.9
355N29.3Very low33.1Very low142 Ų142144 Ų14476%0.75978%0.781SS**  trans88.394.4-176.6-70.3-2000115.7
356S31.9Very low33.1Very low101 Ų101146.7 Ų146.771%0.70678%0.784SS**  76.6137.170.975.90000113.5
357F27.6Very low33.4Very low179 Ų179144.4 Ų144.479%0.78578%0.778SS**  cis165.2141.18.1175.4-97.3000103.2
358Y28.4Very low33.9Very low178 Ų178146.2 Ų146.270%0.69878%0.777SS**  cis-154.1173.520.9-159-134.5000113
359S33.3Very low34.6Very low105 Ų105143.4 Ų143.473%0.73477%0.767SS**  trans-152.1160.2176.8-63.40000111.9
360S37.9Very low34.9Very low104 Ų104145 Ų14573%0.72777%0.766SS**  trans-172.4135.4160.749.90000109.8
361S35.1Very low35.4Very low118 Ų118146.6 Ų146.683%0.82577%0.765SS**  cis92.7125.67.8-154.20000118
362D36.2Very low35.7Very low146 Ų146148.4 Ų148.478%0.78177%0.766SS**  trans-156.3133.9154.1-114.6-15.7000106.5
363S37.8Very low35.6Very low95 Ų95151.6 Ų151.666%0.66477%0.771SS**  76.5142.661.2-420000112.6
364E37.8Very low35.7Very low201 Ų201149.1 Ų149.194%0.93977%0.77SS**  cis-129.3-154.521.2-59178.9113.900114
365D37.5Very low35.9Very low157 Ų157149.6 Ų149.684%0.8477%0.769SS**  trans-137.7-167.4-153.1-153.1-14.9000114.6
366E40.1Very low36.4Very low173 Ų173150 Ų15081%0.80877%0.769SS**  trans97.5155164-68.5-91.9111.600121.8
367D36.9Very low36.5Very low148 Ų148152.8 Ų152.879%0.79177%0.769SS**  trans74.298.6167.7-96.8-32.9000122.1
368E41.9Very low36.8Very low176 Ų176150.4 Ų150.482%0.82277%0.771SS**  trans-106.9132.1155.3-173.4-160.5-153.100110.6
369P43.9Very low37Very low96 Ų96148.6 Ų148.662%0.62378%0.778SS**  trans-141.5131.1145.225-4.7000117.2
370R34.3Very low37Very low204 Ų204152.2 Ų152.277%0.7778%0.783SS**  trans75.7105.2143.2-59.5168.8-171.2-170.62.2119.2F372R370-F372 HydrophobicContact CB-CE2 4.28Å; R370-F372 WeakPolarHBondContact O-CD2 3.38Å
371K38.3Very low37.2Very low206 Ų206153.2 Ų153.290%0.89679%0.787SS**PPolyproline II helixtrans-60.2129.5153.7-72.4170.7177.8164.30111.2
372F37.1Very low37.1Very low182 Ų182154.3 Ų154.380%0.79878%0.784SS**PPolyproline II helixtrans-101132.8166.6-75.4-93000110.9R370R370-F372 HydrophobicContact CB-CE2 4.28Å; R370-F372 WeakPolarHBondContact O-CD2 3.38Å
373H37.1Very low36.7Very low171 Ų171154.3 Ų154.379%0.79278%0.784SS**PPolyproline II helixtrans-100.2116.2173.8-179.788.1000109.7
374V36.6Very low36.3Very low118 Ų118153 Ų15372%0.71579%0.786SS**  trans-107.5106.3-178.3-178.10000110I376V374-I376 HydrophobicContact CG1-CG1 4.14Å
375Q35Very low36Very low142 Ų142149.2 Ų149.266%0.66478%0.776SS**  trans-100.4113.9170.4-178.9-179.481.200109.5
376I39.4Very low35.6Very low151 Ų151149.6 Ų149.677%0.77477%0.773SS**PPolyproline II helixtrans-88.7118.8177.1-56.4179.4000109.5V374V374-I376 HydrophobicContact CG1-CG1 4.14Å
377K33.1Very low35.2Very low159 Ų159148.6 Ų148.669%0.69177%0.768SS**PPolyproline II helixtrans-102.5134.3162.6-76.6-179.1177.2175.60109.2
378P35.9Very low35Very low128 Ų128147.4 Ų147.483%0.83176%0.761SS**PPolyproline II helixtrans-71.3148.1174.730.8-34.6000110.9
379V31.9Very low34.4Very low140 Ų140150.4 Ų150.485%0.84877%0.765SS**  trans-122.8135.4-179.5-175.90000109.4
380Q33.4Very low33.8Very low182 Ų182150.2 Ų150.285%0.8577%0.772SS**  trans-88.1154.2175.9-69.5-172.35.300111.6
381P42Very low33.7Very low125 Ų125146.5 Ų146.581%0.81277%0.768SS**  trans-83.2148.6179.833.8-35.3000112.9
382N32.3Very low34Very low141 Ų141142.3 Ų142.375%0.75475%0.754SS**  -174.8157.9119.7-148.5-1000114.6
383N28.6Very low34.4Very low146 Ų146139 Ų13978%0.78174%0.744SS**  trans48.6137.1148.9-81.7-14.7000123.9
384G29.5Very low34.9Very low68 Ų68139 Ų13970%0.70175%0.745SS**  trans146.666.5132.700000122.6
385T30.7Very low35Very low120 Ų120139 Ų13974%0.73674%0.74SS**  trans42.2117.514251.60000124
386H30.3Very low35.3Very low166 Ų166140.2 Ų140.277%0.76974%0.743SS**  trans64.5148.7137.3-58.1-45.9000120.8
387Q30.6Very low35.6Very low152 Ų152137 Ų13771%0.7174%0.739SS**  cis-162.2169.6-2.3-127-174.855.900113
388N32.3Very low35.9Very low122 Ų122134.6 Ų134.665%0.65274%0.742SS**  trans85.3125.1158.3-82.6-60.8000123.4
389R29.6Very low36Very low239 Ų239135.3 Ų135.390%0.90274%0.738SS**  trans26.3138.6136.8-80.3175.4162.9175-5.9120.2
390A31Very low36Very low93 Ų93132.1 Ų132.177%0.76973%0.732SS**  cis-155.3166.80.600000108.9
391N33Very low36.1Very low126 Ų126130.7 Ų130.767%0.67473%0.731SS**  -159.2173.472.2-160.47.6000112.1
392I44.2Very low35.6Very low118 Ų118132.1 Ų132.161%0.60573%0.73SS**SBendtrans-84.9-19.4-156.9-88.7171.6000117.2
393D45.8Very low35.5Very low112 Ų112132.8 Ų132.860%0.59973%0.732SS**SBendtrans-84.4-20.9-167.9-68.2-55.4000116.1L395 K396D393-L395 VanDerWaalsContact C-N 3.26Å; D393-L395 PolarHBondContact O-N 3.42Å; D393-K396 IonicContact OD1-NZ 2.71Å
394E47Very low35.4Very low171 Ų171133 Ų13380%0.79973%0.733SS**G310 helixtrans-68-27.6170.8-67.9-173.5124.600112.2K396 A397E394-K396 PolarHBondContact O-N 2.92Å; E394-A397 PolarHBondContact O-N 3.02Å
395L39.3Very low35.4Very low118 Ų118134.6 Ų134.662%0.61873%0.732SS**G310 helixtrans-72.6-7.9-176-102.3162.5000114.7D393 I399D393-L395 VanDerWaalsContact C-N 3.26Å; D393-L395 PolarHBondContact O-N 3.42Å; L395-I399 HydrophobicContact CD2-CD1 3.83Å
396K42.3Very low35.4Very low168 Ų168135.3 Ų135.373%0.7374%0.739SS**G310 helixtrans-90.4-10.4173.3-72.4174.5-176.4159.30113.8D393 E394D393-K396 IonicContact OD1-NZ 2.71Å; E394-K396 PolarHBondContact O-N 2.92Å
397A45.9Very low35.3Very low82 Ų82131.9 Ų131.968%0.67873%0.734SS**SBendtrans-100.5-0.1-173.300000114.5E394E394-A397 PolarHBondContact O-N 3.02Å
398S37.9Very low35.2Very low109 Ų109131.2 Ų131.276%0.76274%0.741SS**SBendtrans-148.523.3-169.1-670000116.2
399I39.3Very low35.1Very low144 Ų144131.8 Ų131.874%0.73875%0.754SS**  trans-121.2107.8169-60.4-178.3000109.2L395L395-I399 HydrophobicContact CD2-CD1 3.83Å
400G31.2Very low35.1Very low72 Ų72124 Ų12474%0.74275%0.749SS**SBendtrans-16363.5-17400000112.1
401N35Very low34.9Very low153 Ų153129.3 Ų129.382%0.81876%0.757SS**  trans67.180.3170.4-56.7-10.3000117.3
402I31.6Very low34.7Very low154 Ų154132 Ų13279%0.7977%0.768SS**  trans-99.3119.4139.8-60.5176.8000107L404I402-L404 HydrophobicContact CG2-CD1 4.49Å; I402-L404 HydrophobicContact CG2-CG 4.18Å
403I29.4Very low33.8Very low155 Ų155137.6 Ų137.680%0.79578%0.782SS**  trans-127.3114.9161-62.2-179.2000106.4
404L28.1Very low32.9Very low152 Ų152142.5 Ų142.580%0.79679%0.792SS**PPolyproline II helixtrans-98145.3171.4-74.1169.2000109.6I402I402-L404 HydrophobicContact CG2-CD1 4.49Å; I402-L404 HydrophobicContact CG2-CG 4.18Å
405S29.8Very low31.8Very low100 Ų100139.7 Ų139.770%0.69978%0.782SS**PPolyproline II helixtrans-66.5143.8-175.6-44.30000113S407S405-S407 PolarHBondContact O-N 3.12Å
406P30.7Very low31.2Very low135 Ų135141.7 Ų141.788%0.87779%0.788SS**PPolyproline II helixtrans-74.4116.3155.931.1-29.7000109.1
407S27.8Very low30.5Very low95 Ų95138.3 Ų138.366%0.66479%0.786SS**  trans-124.8132.7172.6-72.60000110.2S405S405-S407 PolarHBondContact O-N 3.12Å
408T28.7Very low29.6Very low138 Ų138141.7 Ų141.785%0.84779%0.793SS**  trans138.5120.5145.851.40000112.9
409S28.4Very low29.1Very low134 Ų134143.9 Ų143.994%0.93780%0.796SS**  trans-171.292.2146.7-85.60000109.1
410G30.2Very low28.6Very low76 Ų76144.4 Ų144.478%0.78480%0.795SS**  trans-151.2105.8174.800000110
411Q28.3Very low28.5Very low203 Ų203148.2 Ų148.295%0.94980%0.798SS**  trans-139.6139.7168.5-83.3-163.5-14.400110.6
412M28.8Very low28.1Very low184 Ų184145.8 Ų145.891%0.90680%0.799SS**  trans-85.4138.1-179.3-56156.769.300110.6
413R24.1Very low28.1Very low235 Ų235148 Ų14889%0.88780%0.803SS**  trans-158.2102.6148.9-116.5178.7-171.2-136.73.3114.6
414R26.6Very low28.7Very low214 Ų214145.5 Ų145.581%0.80880%0.797SS**  55128.2118.6-169.4171.4-164.3169.38.7120.3
415N24.9Very low28.7Very low113 Ų113149.8 Ų149.860%0.60480%0.802SS**  trans96133.2152.3-88.229000121.3
416Q26.3Very low28.5Very low159 Ų159148.8 Ų148.874%0.74381%0.808SS**  trans84.194.4135.1-79.1165.4-33.500122.8
417S27.2Very low28.3Very low98 Ų98148 Ų14869%0.68581%0.806SS**  72.8144.7112.9630000123.2
418N26.3Very low28.2Very low152 Ų152149.9 Ų149.981%0.81381%0.813SS**  trans72.4128.6171.4-60.916.8000115.5
419D28.6Very low29.3Very low155 Ų155147.7 Ų147.783%0.82980%0.802SS**  cis107.1155.119.5-162.723.7000113.3
420E27.6Very low29.4Very low156 Ų156149.4 Ų149.473%0.72979%0.793SS**  trans71.5100.1-176.6-71.1-150.184.400120.6
421L29.3Very low29.4Very low151 Ų151153 Ų15379%0.79179%0.789SS**  60.9104.7105.6-163.677000120.3
422A26.5Very low29.5Very low103 Ų103149.7 Ų149.785%0.85178%0.777SS**  trans-163.4109.8133.900000113.9
423K32.1Very low29.4Very low199 Ų199150.3 Ų150.387%0.86577%0.769SS**  trans-121.4150.7153.1-126.3175.4-173.6173.90105.3
424P42.8Very low29.8Very low103 Ų103145 Ų14567%0.66976%0.758SS**  -161.5175.686.242.5-23000117.9
425R27.8Very low29.9Very low242 Ų242140.7 Ų140.791%0.91375%0.751SS**  trans62.6132.7154.1-71.6159.9-178.1175.9-0.1119.2
426G26.1Very low30.1Very low80 Ų80141.3 Ų141.383%0.82576%0.755SS**  cis124.8142.6-17.500000116.4
427S25.6Very low30.2Very low119 Ų119140.2 Ų140.283%0.83275%0.753SS**  trans-156.7140.4168.1540000111
428T26.9Very low30.3Very low133 Ų133141.9 Ų141.982%0.81675%0.754SS**  trans-143-158.3-172.455.70000108
429P50.6Low30.5Very low92 Ų92139.3 Ų139.360%0.59775%0.748SS**  cis-142.5-171.6-324.93.8000117
430F30.5Very low30.4Very low171 Ų171139.3 Ų139.375%0.7575%0.747SS**  trans70.7143.7164.7-60.9-71000118
431E29.8Very low30.5Very low152 Ų152139.4 Ų139.471%0.7175%0.752SS**  cis-170.8-172.9-27.1-122.9179.9-172.400106.5
432L31.7Very low30.7Very low132 Ų132136.8 Ų136.869%0.69175%0.745SS**  cis-165-178.25.5-121.2177.6000105.2
433R27.2Very low30.8Very low197 Ų197139.2 Ų139.274%0.74374%0.743SS**  cis-168.4122.6-3.5-178177-177.4-148.6-0111.2
434N31.7Very low30.4Very low123 Ų123134.3 Ų134.366%0.65873%0.733SS**  trans59.2162153.7-63.744.8000119.1
435N29Very low29.6Very low124 Ų124134.9 Ų134.966%0.66374%0.739SS**  cis-153.8138.6-13.6-10823.7000106.4
436D28.1Very low29.6Very low127 Ų127128.2 Ų128.268%0.67974%0.736SS**  67115.182.9-88.4-1.6000118.3
437L28.8Very low29.7Very low135 Ų135130.5 Ų130.571%0.70774%0.74SS**  63164.4126.6-57.9171.2000119.1
438L30.3Very low29.8Very low134 Ų134128.6 Ų128.670%0.70274%0.739SS**  cis-126.7161.55.5-72.1162.5000109.2
439S29.4Very low29.9Very low98 Ų98129.7 Ų129.769%0.68575%0.745SS**  cis7572.26.1-153.10000117.9
440L27.4Very low28.8Very low155 Ų155128.8 Ų128.881%0.81275%0.752SS**  trans-147.2129.3159.5-79.4-176.8000112.3
441D29.6Very low28.8Very low157 Ų157126 Ų12684%0.8475%0.754SS**  trans-146124162173.626.7000107
442P33.7Very low28.9Very low97 Ų97123.9 Ų123.963%0.6376%0.756SS**  trans-148160.1151.440-24.6000116.4
443L27.2Very low28.9Very low154 Ų154123 Ų12381%0.80676%0.761SS**  trans91.383.5158.9-51.1-171.3000119.9
444S23.9Very low29Very low95 Ų95118.9 Ų118.966%0.66476%0.763SS**  41.8109.2114.565.20000121
445S26.6Very low28.9Very low115 Ų115119.6 Ų119.680%0.80477%0.771SS**  trans46116.2131.364.40000121.4
446A27.6Very low28.8Very low103 Ų103118.6 Ų118.685%0.85177%0.773SS**  -173.4156.8119.900000114.1
447S29.1Very low28.9Very low128 Ų128117 Ų11790%0.89577%0.772SS**  trans-42.6146.6174.4-42.50000118
448G26Very low29Very low79 Ų79117 Ų11781%0.81478%0.778SS**  trans-164.4133.6165.600000113.3
449V29.5Very low28.8Very low155 Ų155115.7 Ų115.794%0.93979%0.786SS**  trans-116.5138.6-179.1-176.70000109.6
450G26.8Very low29.1Very low73 Ų73117.3 Ų117.375%0.75379%0.792SS**  trans-175.9151.1176.300000113.3
451S32Very low29.5Very low113 Ų113115.8 Ų115.879%0.7979%0.792SS**  trans-127.8177-162.9-59.40000114.9
452S30.5Very low29.7Very low107 Ų107114.4 Ų114.475%0.74879%0.788SS**  trans75.893.3152.350.80000122
453S32.6Very low30.4Very low113 Ų113114.6 Ų114.679%0.7979%0.79SS**  40.4124113.663.70000123.9
454S28.6Very low30.4Very low112 Ų112115 Ų11578%0.78379%0.792SS**  trans-168.7113.1135.359.60000110.3
455V29.7Very low30.6Very low138 Ų138121.4 Ų121.484%0.83680%0.802SS**  94.212578.5164.60000115.2
456S28.2Very low31.1Very low102 Ų102121.2 Ų121.271%0.71380%0.798SS**  trans70.696.8154.8-73.40000125
457S29.4Very low31.2Very low93 Ų93122.2 Ų122.265%0.6579%0.794SS**  57.2127.5107.668.50000124.7
458T30.3Very low31.2Very low137 Ų137122.7 Ų122.784%0.8479%0.791SS**  trans62.4121.3136.6560000122.8
459A25.6Very low31.8Very low105 Ų105124.6 Ų124.687%0.86879%0.789SS**  -160.3144.9126.600000112
460V36.6Very low31.8Very low133 Ų133125.5 Ų125.581%0.80679%0.788SS**  trans-114154.8164.2-139.50000107
461P36.9Very low31.9Very low123 Ų123127 Ų12780%0.79979%0.793SS**  -156.3176.690.640.5-20.6000117.3
462V33.9Very low31.6Very low127 Ų127126.7 Ų126.777%0.7780%0.798SS**  trans-117.9157.8162.6-151.20000104.3
463P48.3Very low31.5Very low102 Ų102125.7 Ų125.766%0.66280%0.804SS**  cis-158.6-160.842.241.4-15.3000118.5
464N26.2Very low31.4Very low161 Ų161125 Ų12586%0.86181%0.805SS**  trans111.4153.8151.1-69.3-18.7000120.6
465R28Very low31.4Very low231 Ų231128.3 Ų128.387%0.87281%0.813SS**  trans-135.2144.3-161.6169.7-163.2-177.9-162.74.7110
466P37.3Very low31.6Very low111 Ų111128.1 Ų128.172%0.72181%0.812SS**  trans-138.2127.5145.933.5-17.3000115.4
467T29.4Very low31.8Very low124 Ų124128.5 Ų128.576%0.76181%0.812SS**  47.4139.5129.961.20000124.1
468T29.4Very low32.1Very low137 Ų137129.9 Ų129.984%0.8482%0.819SS**  trans-89.3164.3171.640.40000114.2
469P38Very low32.3Very low119 Ų119129.3 Ų129.377%0.77382%0.818SS**  trans-139.7141.9133.136.9-23.8000116.6
470L29.9Very low32.5Very low175 Ų175135.2 Ų135.292%0.91682%0.817SS**  trans31.8111.3147.1-70.4159.3000122.9
471A29.2Very low32.4Very low103 Ų103134.8 Ų134.885%0.85182%0.817SS**  trans-34.8150.9161.700000121.4
472A26.1Very low32Very low108 Ų108134 Ų13489%0.89382%0.815SS**  -158.8141.7125.800000111.5
473G28.6Very low31.9Very low86 Ų86133 Ų13389%0.88781%0.814SS**  trans118.8124.6172.800000114.6
474A29.1Very low31.2Very low98 Ų98139 Ų13981%0.8182%0.823SS**  trans-124.2129.1-175.800000112.2
475L29.5Very low31.4Very low182 Ų182137.3 Ų137.395%0.95382%0.821SS**  trans-139.4146.8163.7-76.2177.9000109.4
476V33Very low31.4Very low134 Ų134135 Ų13581%0.81282%0.817SS**  trans-111.7139.4-167.4177.20000110.2
477P34.2Very low31.1Very low109 Ų109136.7 Ų136.771%0.70882%0.819SS**PPolyproline II helixtrans-70.315517828.6-35.7000113.3
478P34.5Very low31.1Very low123 Ų123136.7 Ų136.780%0.79982%0.822SS**PPolyproline II helixtrans-74.7158-171.529.9-36.1000114.7
479P34.3Very low31.1Very low125 Ų125136.8 Ų136.881%0.81282%0.822SS**PPolyproline II helixtrans-91.6161.9-165.936-37.6000116.3
480R31Very low30.6Very low228 Ų228134.7 Ų134.786%0.8682%0.822SS**PPolyproline II helixtrans-75.3144171.5174.5-174.7-78.4170.1-7.1111.7
481P32.7Very low30.5Very low124 Ų124135.9 Ų135.981%0.80582%0.82SS**PPolyproline II helixtrans-73.3151.6175-14.729.9000114
482S30.2Very low30.4Very low106 Ų106139.4 Ų139.474%0.74182%0.824SS**  trans-137.1146.7179.1-70.90000113.6
483S31.2Very low30.4Very low108 Ų108140.8 Ų140.876%0.75582%0.821SS**  trans47.2105.3149.860.60000121.6
484R33.3Very low30.2Very low226 Ų226139.7 Ų139.785%0.85381%0.81SS**  25.4112.3122.4-167.3-175.5-157.7176.89.6118.7
485P31.1Very low30.2Very low126 Ų126143.1 Ų143.182%0.81881%0.813SS**  trans-74.6168.7168.6-15.731.2000114.8
486K27.6Very low30Very low182 Ų182140.8 Ų140.879%0.79180%0.801SS**  trans-146.5128.9171.6-108.2-171.5177.5-177.30113
487L31.9Very low29.6Very low147 Ų147141.6 Ų141.677%0.7780%0.796SS**  trans63.3147.1159-73.9149.7000118.4
488P28.7Very low29.3Very low125 Ų125143.1 Ų143.181%0.81280%0.797SS**  -126.2-180101.639-34.9000114.1
489T29.1Very low28.8Very low139 Ų139142.1 Ų142.185%0.85379%0.788SS**  trans-96.3144.4-167.6-23.10000113.8
490G27.8Very low28.5Very low75 Ų75144.8 Ų144.877%0.77378%0.782SS**  trans-145.6136.9166.900000111.4
491K28.2Very low28.3Very low200 Ų200140 Ų14087%0.8778%0.781SS**  trans-107.5137.4178.8-67.8178.3179176.80110.7
492L26.4Very low28Very low177 Ų177142 Ų14293%0.92778%0.777SS**  trans-145.6144.5146.2-97.2177.9000110.2
493T26.2Very low27.9Very low136 Ų136142 Ų14283%0.83478%0.777SS**  trans-107.5150.1174.148.30000108.6
494G24.2Very low28.5Very low63 Ų63142.2 Ų142.265%0.64978%0.776SS**  cis159.6-1722.900000108.8
495I29.1Very low28.7Very low170 Ų170137.4 Ų137.487%0.87277%0.774SS**  trans73.2132.5167.1-57.3163.7000112.8
496N24.4Very low28.6Very low134 Ų134141.2 Ų141.272%0.71778%0.778SS**  cis-154.3178.113.5-145.7-0.7000114.2
497E26Very low28.6Very low151 Ų151137.1 Ų137.171%0.70678%0.778SS**  trans70.2132.2159.8-61.5-146131.600118.8
498I26.9Very low28.4Very low140 Ų140135.7 Ų135.772%0.71878%0.78SS**  cis98.7132.641.5-79170.1000111.5
499V24Very low28.4Very low102 Ų102137.6 Ų137.662%0.61878%0.783SS**  cis-168.5166.6-18.6100.10000110.9
500R28.3Very low28.2Very low181 Ų181135.9 Ų135.968%0.68378%0.783SS**  trans69.8129.6162.3-98.1175.4-76.3-170-5.7120.9F502R500-F502 HydrophobicContact CB-CD2 4.48Å
501P26.7Very low28.3Very low128 Ų128137.8 Ų137.883%0.83179%0.785SS**  trans-87.1156.3134-524.4000111.3
502F26.8Very low29.1Very low166 Ų166133.9 Ų133.973%0.72878%0.78SS**  trans-112.9166.2176.3-95.8-92.9000112.9R500R500-F502 HydrophobicContact CB-CD2 4.48Å
503S27.6Very low29.7Very low107 Ų107131.2 Ų131.275%0.74877%0.773SS**  trans-149.2178.9167.4-45.70000106.5
504P44Very low30.4Very low112 Ų112130.6 Ų130.673%0.72777%0.771SS**  cis-124.2-134.2136.2-11.8000110.1
505P37.9Very low30.6Very low124 Ų124134.1 Ų134.181%0.80578%0.78SS**  cis-122.3-170.233.138.7-20.9000115.5
506K29.4Very low30.5Very low207 Ų207130.2 Ų130.290%0.977%0.774SS**  trans-136.4151.1-175.9-64.6174.5175.8177.30112.2
507A27.2Very low31.2Very low96 Ų96129.8 Ų129.879%0.79378%0.778SS**  trans-158.4151.4153.400000108.4
508S28.1Very low31.3Very low116 Ų116130.7 Ų130.781%0.81179%0.787SS**  cis-159.5166.5-1640.70000109.4
509N27.3Very low31.3Very low166 Ų166129.1 Ų129.189%0.88880%0.795SS**  trans-83.1153.4-170.8-50.8-40.1000114.8
510A26.3Very low31.4Very low103 Ų103135.2 Ų135.285%0.85181%0.807SS**  trans-149.8158.6146.900000109.6
511S28.8Very low31.4Very low115 Ų115130.3 Ų130.380%0.80481%0.805SS**  trans-129.1152.4-166.9-590000114.2
512P45.5Very low31.3Very low118 Ų118132.4 Ų132.477%0.76680%0.804SS**  trans-86.8165.917139.3-37.6000112
513P39.9Very low31.2Very low120 Ų120129.7 Ų129.778%0.77981%0.805SS**  -155.8-154.387.745.2-25.2000112.5
514P40.2Very low31.1Very low124 Ų124129.7 Ų129.781%0.80581%0.806SS**  cis-123.1-151.6-22.331.2-8.2000113
515T27.7Very low30.3Very low136 Ų136129.4 Ų129.483%0.83481%0.806SS**  trans-134.5158.9-157-26.20000116
516A27.8Very low29.7Very low89 Ų89128 Ų12874%0.73680%0.799SS**  trans75.5163.7153.900000118.2
517P38.8Very low29.5Very low125 Ų125125.9 Ų125.981%0.81280%0.797SS**  cis-131.8-160.81144.1-25.8000117
518L27.4Very low29.4Very low170 Ų170125.6 Ų125.689%0.8979%0.789SS**  trans-85.3160.3-164.8-73.565.2000116.6
519A27.9Very low29.4Very low107 Ų107125.3 Ų125.388%0.88479%0.787SS**  trans-145.7175.5150.600000110.9
520R26.8Very low29.4Very low229 Ų229125.3 Ų125.386%0.86479%0.787SS**  trans-148.2159.2-163.2-178.4-172.3165.3113.90.6112.9
521A26.7Very low29.3Very low79 Ų79124.7 Ų124.765%0.65378%0.782SS**  trans79.2154.8163.500000116.1
522E24.6Very low29.2Very low172 Ų172125.2 Ų125.280%0.80479%0.786SS**  cis-156-167.5-14.5-122.5160.3-141.200112.9
523S25.9Very low28.4Very low108 Ų108127.7 Ų127.776%0.75579%0.791SS**  trans-80.7-173.2-158.4-50.70000119.1
524S25.1Very low27.7Very low108 Ų108127 Ų12776%0.75579%0.79SS**  trans84.1128.7173.869.10000116.4
525S26.6Very low27.1Very low105 Ų105126.4 Ų126.473%0.73480%0.795SS**  cis81.1130.335.884.60000113.1
526S26.5Very low26.9Very low94 Ų94123.1 Ų123.166%0.65779%0.789SS**  cis-166.8167.531.3-66.20000112.5
527L25.6Very low26.9Very low163 Ų163126.8 Ų126.885%0.85380%0.796SS**  trans46155.3140.2-63.2167000121.3
528S25Very low26.2Very low90 Ų90127.3 Ų127.363%0.62980%0.797SS**  cis-178.8155.9-14.152.30000111
529S27.8Very low26.6Very low110 Ų110124.3 Ų124.377%0.76979%0.787SS**  trans69.3164.5159.3-50.80000116.9
530N25.8Very low26.4Very low166 Ų166125 Ų12589%0.88878%0.781SS**  cis-148.6176.96.3-135.9-1.1000111.6
531A26.1Very low26.3Very low90 Ų90121.1 Ų121.174%0.74478%0.782SS**  trans-109.1167.7-172.400000116
532S25.8Very low26.1Very low127 Ų127120.6 Ų120.689%0.88879%0.785SS**  trans-165.1164.5157-86.40000114.6
533L28.6Very low26Very low169 Ų169117.6 Ų117.689%0.88578%0.783SS**  trans-88.4-175.1-170.2-52.7154.4000111.8
534S26Very low25.8Very low107 Ų107119.4 Ų119.475%0.74878%0.784SS**  cis-168.6151.515.9290000113.4
535A27.5Very low25.7Very low110 Ų110121.8 Ų121.891%0.90979%0.788SS**  trans56.6143.5143.500000124
536G23.3Very low25.4Very low68 Ų68121.5 Ų121.570%0.70179%0.786SS**  trans147.287.9147.300000120.7
537N26.7Very low25.3Very low166 Ų166123.4 Ų123.489%0.88879%0.788SS**  trans69.6151147.8-57.2-5.5000122.9
538T24.8Very low25.1Very low135 Ų135124.5 Ų124.583%0.82879%0.787SS**  trans-128-174175.850.60000107.9
539P35.6Very low25.4Very low107 Ų107125 Ų12570%0.69579%0.79SS**  cis-149.7179.114.943.6-21.2000120.4
540T24.5Very low25.8Very low122 Ų122125.2 Ų125.275%0.74879%0.789SS**  trans86.1138.2148.3-25.20000122.7
541V24.6Very low25.7Very low147 Ų147125.4 Ų125.489%0.89178%0.784SS**  trans91.5120.9158.1-167.60000118.1
542G21.2Very low25.7Very low69 Ų69127 Ų12771%0.71178%0.784SS**  trans134.387.2150.700000118.2
543S22.8Very low25.6Very low109 Ų109126.8 Ų126.876%0.76277%0.772SS**  trans33.7122.3143.1-57.50000123.4
544D21.5Very low25.5Very low145 Ų145125.5 Ų125.578%0.77577%0.766SS**  68.9137.1128.4-61.4-39.6000124.1
545L22.9Very low25.4Very low159 Ų159126.4 Ų126.483%0.83276%0.762SS**  trans68.8103.5151.5-69163.9000120.8
546S21.9Very low25.5Very low99 Ų99127.6 Ų127.669%0.69275%0.749SS**  105.3133.1122.680.90000120.9
547N22.8Very low25.7Very low133 Ų133131.5 Ų131.571%0.71175%0.746SS**  trans81.6148.1135.2-88-3.6000123.8
548F22.3Very low25.6Very low187 Ų187129.6 Ų129.682%0.8274%0.736SS**  trans75.1121.4159-71.4-62000122.5
549S31.9Very low25.7Very low99 Ų99130.9 Ų130.969%0.69274%0.738SS**  trans-69.3164.8154.7-34.20000112.1
550P35.1Very low25.3Very low116 Ų116129 Ų12975%0.75374%0.738SS**  -110147.4126.9-1231.2000111.2
551H24.9Very low25.4Very low170 Ų170132.8 Ų132.879%0.78774%0.744SS**  60.5142.357.9-77.8-85.3000112.4
552V25.2Very low25.6Very low123 Ų123132.4 Ų132.475%0.74574%0.742SS**  cis-164.1156.729.9120.60000107
553L24.1Very low25.9Very low123 Ų123133.8 Ų133.864%0.64475%0.747SS**  cis-156.8141.1-19.8-92.6167.2000107.1
554L26.6Very low26.1Very low142 Ų142138.2 Ų138.274%0.74375%0.752SS**  31.9124.5103.3-64.9177000118.6
555N23.9Very low26.4Very low125 Ų125137.7 Ų137.767%0.66875%0.749SS**  -175.3120.2114.7-90.4-24.1000112.1
556Q29.8Very low26.5Very low136 Ų136135 Ų13564%0.63674%0.741SS**  82.2137104.5-67.4-171.65000114.8
557K26Very low26.8Very low149 Ų149135 Ų13565%0.64875%0.746SS**  cis-162.4154.94.5-119.4178.9174.6144.20113
558D26.2Very low27.1Very low127 Ų127137.9 Ų137.968%0.67975%0.753SS**  trans48149.8142.9-48.8-19.1000120.1
559D26.4Very low27.2Very low162 Ų162137.2 Ų137.287%0.86675%0.752SS**  cis-155.617129.5-142.9-30.8000114.2
560G26.1Very low27.3Very low66 Ų66142 Ų14268%0.6876%0.76SS**  trans68.982.5163.200000118
561F27.7Very low26.8Very low202 Ų202145.6 Ų145.689%0.88676%0.759SS**  75.786.253.4-151-84.7000116.2
562V28.6Very low26.8Very low140 Ų140143.8 Ų143.885%0.84876%0.764SS**SBendtrans-177.3-30.1146.2138.90000109.9K564V562-K564 PolarHBondContact O-N 2.8Å
563A27.4Very low26.9Very low98 Ų98144.4 Ų144.481%0.8176%0.759SS**SBendtrans-93.265.4-177.500000114.2
564K27.1Very low27.2Very low202 Ų202142.9 Ų142.988%0.87876%0.764SS**  trans-162.278.8166-117.8167.8-171.6175.90114.4V562V562-K564 PolarHBondContact O-N 2.8Å
565L27.4Very low27.2Very low134 Ų134142.1 Ų142.170%0.70277%0.768SS**SBendtrans-82156.4142.2-77172.2000108.5A567L565-A567 PolarHBondContact O-N 2.84Å
566P25.7Very low27.5Very low103 Ų103141.4 Ų141.467%0.66978%0.779SS**  trans-64.4120.2-173.9-20.532.6000111.7F568P566-F568 PolarHBondContact O-N 3.05Å; P566-F568 VanDerWaalsContact O-N 3.11Å
567A27.5Very low27.4Very low97 Ų97138 Ų13880%0.80278%0.78SS**  trans-66.6104.6151.900000106.3L565 E569L565-A567 PolarHBondContact O-N 2.84Å; A567-E569 VanDerWaalsContact C-N 3.31Å; A567-E569 PolarHBondContact O-N 2.65Å
568F29.3Very low27.7Very low194 Ų194137.5 Ų137.585%0.85179%0.79SS**  trans-74.491.3177.2-141.2-85.3000107.8P566P566-F568 PolarHBondContact O-N 3.05Å; P566-F568 VanDerWaalsContact O-N 3.11Å
569E24.9Very low28Very low174 Ų174136.9 Ų136.981%0.81380%0.796SS**  trans-62.5150.5-173.2-167.1160.5-147.400111.5A567 R571A567-E569 VanDerWaalsContact C-N 3.31Å; A567-E569 PolarHBondContact O-N 2.65Å; E569-R571 PolarHBondContact O-N 3.02Å
570K33.9Very low28.5Very low198 Ų198140.7 Ų140.786%0.86180%0.798SS**SBendtrans-53106.6-166.2-78.3-176.5170.2-173.40112.9
571R25.1Very low29.4Very low192 Ų192140.1 Ų140.173%0.72579%0.792SS**  trans-143.569.7159-157.1167-170.2147.19.6113.2E569 E573E569-R571 PolarHBondContact O-N 3.02Å; R571-E573 HydrophobicContact CG-CB 4.38Å; R571-E573 HydrophobicContact CG-CG 4.33Å; R571-E573 IonicContact CZ-OE2 2.64Å; R571-E573 IonicContact NE-OE2 2.64Å; R571-E573 PolarHBondContact NE-OE2 3.22Å; R571-E573 IonicContact NH2-OE1 3.79Å; R571-E573 IonicContact NH2-OE2 2.67Å; R571-E573 PolarHBondContact NH2-OE2 2.88Å; R571-E573 PolarHBondContact O-N 3.13Å
572C25Very low30.1Very low133 Ų133136.5 Ų136.590%0.89979%0.789SS**  trans-7860.4164.3-71.30000111.1
573E26.1Very low30.3Very low136 Ų136134.5 Ų134.564%0.63678%0.781SS**  trans-95.6105.4161.7-73.6-177.5141.700107.5R571R571-E573 HydrophobicContact CG-CB 4.38Å; R571-E573 HydrophobicContact CG-CG 4.33Å; R571-E573 IonicContact CZ-OE2 2.64Å; R571-E573 IonicContact NE-OE2 2.64Å; R571-E573 PolarHBondContact NE-OE2 3.22Å; R571-E573 IonicContact NH2-OE1 3.79Å; R571-E573 IonicContact NH2-OE2 2.67Å; R571-E573 PolarHBondContact NH2-OE2 2.88Å; R571-E573 PolarHBondContact O-N 3.13Å
574A30.3Very low30.8Very low90 Ų90136 Ų13674%0.74478%0.783SS**  trans-70.8151.9173.900000110.3
575P26.6Very low31.6Very low126 Ų126131 Ų13182%0.81877%0.769SS**  trans-55153.6165.1-2132.8000110.7G577P575-G577 PolarHBondContact O-N 3.01Å
576A29.8Very low32.4Very low110 Ų110131 Ų13191%0.90977%0.774SS**  trans-70.468-175.900000113.6
577G29.1Very low33.7Very low64 Ų64131.6 Ų131.666%0.6677%0.771SS**  trans-77.7132.7168.900000111.1P575 S579P575-G577 PolarHBondContact O-N 3.01Å; G577-S579 VanDerWaalsContact C-N 3.29Å; G577-S579 PolarHBondContact O-N 2.96Å
578T31.8Very low34.3Very low139 Ų139129.2 Ų129.285%0.85376%0.756SS**  trans-79.360.6-165.8440000114.7R580T578-R580 PolarHBondContact O-N 3.36Å
579S31.8Very low35.2Very low114 Ų114125.6 Ų125.680%0.79776%0.755SS**  trans-70.8108.5163-170.50000109.6G577 G581G577-S579 VanDerWaalsContact C-N 3.29Å; G577-S579 PolarHBondContact O-N 2.96Å; S579-G581 PolarHBondContact O-N 2.82Å; S579-G581 VanDerWaalsContact O-N 3.11Å
580R38Very low36.6Very low243 Ų243123.2 Ų123.292%0.91774%0.744SS**  trans-69.1106.3175.7-71.7179.1174.1168.4-2.2109.2T578T578-R580 PolarHBondContact O-N 3.36Å
581G43.7Very low38.2Very low54 Ų54121.7 Ų121.756%0.55775%0.745SS**PPolyproline II helixtrans-59.4160170.700000112.1S579 S583S579-G581 PolarHBondContact O-N 2.82Å; S579-G581 VanDerWaalsContact O-N 3.11Å; G581-S583 PolarHBondContact O-N 3Å
582P43.2Very low41Very low126 Ų126113.5 Ų113.582%0.81872%0.718SS**PPolyproline II helixtrans-58.5135.1178.226-34.3000110.5
583S33.2Very low44.1Very low97 Ų97108.5 Ų108.568%0.67868%0.683SS**PPolyproline II helixtrans-57.3147.8-176.8-54.40000112.2G581 V585G581-S583 PolarHBondContact O-N 3Å; S583-V585 PolarHBondContact O-N 2.88Å
584P37.9Very low47.4Very low131 Ų131103.2 Ų103.285%0.85166%0.66SS**  trans-57.1113.4172.5-22.733.6000110.4T586P584-T586 PolarHBondContact O-N 3.01Å
585V43Very low50.5Low96 Ų9699 Ų9958%0.58263%0.625SS**  trans-79.1114.9-178.5176.90000109.1S583 L587S583-V585 PolarHBondContact O-N 2.88Å; V585-L587 PolarHBondContact O-N 2.62Å
586T44.4Very low53.9Low134 Ų13493.6 Ų93.682%0.82259%0.591SS**  trans-60.7117.1159.636.30000108.3P584 G588P584-T586 PolarHBondContact O-N 3.01Å; T586-G588 PolarHBondContact O-N 2.9Å
587L52.7Low57.1Low116 Ų11688.5 Ų88.561%0.60755%0.548SS*.  trans-78.660.8-170.3-163.777.4000112.4V585 V634V585-L587 PolarHBondContact O-N 2.62Å; L587-V634 HydrophobicContact CD2-CG2 3.57Å
588G40.2Very low60.3Low46 Ų4686.5 Ų86.547%0.47453%0.526SS..  trans-96.8121.4170.800000111.3T586 Q590T586-G588 PolarHBondContact O-N 2.9Å; G588-Q590 PolarHBondContact O-N 3.35Å
589S48.8Very low63.5Low119 Ų11979.9 Ų79.983%0.83249%0.485SS*.SBendtrans40.171.7163.359.40000115.9
590Q53.2Low66.6Low123 Ų12375.4 Ų75.458%0.57545%0.453SS*.  trans-137.6118.2168.6-73.5-73.6-76.800108.2G588 A592G588-Q590 PolarHBondContact O-N 3.35Å; Q590-A592 PolarHBondContact O-N 2.92Å
591D67.8Low69.5Low166 Ų16663.9 Ų63.989%0.88841%0.41SS*.SBendtrans-72.2-11.1-169.8-57.5-42.9000114.8
592A84.7Confident72Confident20 Ų2063.6 Ų63.617%0.16540%0.397CS..SBendtrans-127.4123.9-175.600000112Q590 T840 R843Q590-A592 PolarHBondContact O-N 2.92Å; A592-T840 VanDerWaalsContact CB-O 3.25Å; A592-T840 WeakPolarHBondContact CB-O 3.49Å; A592-R843 HydrophobicContact CB-CB 4.03Å; A592-R843 HydrophobicContact CB-CG 3.95Å; A592-R843 PolarHBondContact O-NE 3.26Å
593L90.9Very high74.6Confident29 Ų2957.6 Ų57.615%0.15236%0.358CS..EExtended strand (participates in β ladder)trans-72.9127.1-177.9-63.2171.9000111.1I631 V634 F635 G841 Y842 R843L593-I631 HydrophobicContact CB-CD1 3.98Å; L593-I631 HydrophobicContact CB-CG1 4.48Å; L593-I631 HydrophobicContact CD1-CD1 4.05Å; L593-I631 HydrophobicContact CD1-CG1 4Å; L593-I631 HydrophobicContact CD2-CG1 4.43Å; L593-I631 HydrophobicContact CG-CD1 4.5Å; L593-V634 HydrophobicContact CD1-CG1 4.15Å; L593-V634 HydrophobicContact CD2-CG1 4.3Å; L593-V634 HydrophobicContact CD2-CG2 4.23Å; L593-F635 HydrophobicContact CD1-CE1 3.99Å; L593-G841 PolarHBondContact N-O 3.02Å; L593-Y842 HydrophobicContact CB-CD1 3.83Å; L593-Y842 HydrophobicContact CB-CE1 4.06Å; L593-Y842 HydrophobicContact CD1-CD1 4.46Å; L593-Y842 HydrophobicContact CD1-CE1 3.87Å; L593-Y842 CarbonylContact O-C 3.52Å; L593-Y842 WeakPolarHBondContact O-CA 3.47Å; L593-R843 PolarHBondContact O-N 3.22Å
594P93.8Very high77.7Confident24 Ų2454.6 Ų54.616%0.15634%0.335CS..EExtended strand (participates in β ladder)trans-78.3129.4-17929.5-32.3000112P628 R843P594-P628 HydrophobicContact CG-CG 4.43Å; P594-P628 WeakPolarHBondContact O-CD 3.11Å; P594-P628 VanDerWaalsContact O-CG 3.32Å; P594-P628 WeakPolarHBondContact O-CG 3.48Å; P594-R843 WeakPolarHBondContact CA-O 3.32Å
595I96.4Very high80.5Confident1 Ų148.6 Ų48.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-133.6153.9169.559.6175.7000109.5L625 F627 I631 L644 L837 Y842 R843 L844 S845I595-L625 HydrophobicContact CD1-CD2 4.4Å; I595-F627 HydrophobicContact CG2-CD1 3.68Å; I595-F627 HydrophobicContact CG2-CE1 3.84Å; I595-F627 HydrophobicContact CG2-CG 4.49Å; I595-I631 HydrophobicContact CG2-CD1 4.19Å; I595-L644 HydrophobicContact CD1-CD1 3.54Å; I595-L644 HydrophobicContact CD1-CD2 3.83Å; I595-L644 HydrophobicContact CD1-CG 4.36Å; I595-L837 HydrophobicContact CD1-CD1 4.21Å; I595-L837 HydrophobicContact CD1-CD2 4.04Å; I595-L837 HydrophobicContact CG1-CD1 4.28Å; I595-Y842 HydrophobicContact CD1-CD1 4.47Å; I595-Y842 HydrophobicContact CG2-CD1 4.38Å; I595-R843 PolarHBondContact N-O 3.48Å; I595-L844 CarbonylContact O-C 3.56Å; I595-L844 WeakPolarHBondContact O-CA 3.33Å; I595-S845 PolarHBondContact O-N 3.13Å; I595-S845 PolarHBondContact O-OG 3.02Å; I595-S845 VanDerWaalsContact O-OG 3.12Å
596A96.7Very high83Confident14 Ų1446.7 Ų46.712%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-113.2151.717400000111.3L625 S626 L846A596-L625 CarbonylContact O-C 3.59Å; A596-L625 WeakPolarHBondContact O-CA 3.31Å; A596-L625 VanDerWaalsContact O-CD2 3.23Å; A596-L625 WeakPolarHBondContact O-CD2 3.42Å; A596-S626 PolarHBondContact N-O 2.69Å; A596-S626 PolarHBondContact O-N 2.77Å; A596-L846 WeakPolarHBondContact CA-O 3.47Å; A596-L846 HydrophobicContact CB-CB 3.83Å
597V97.5Very high85.4Confident2 Ų240.5 Ų40.51%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-113.9142.3169.971.80000110.6F599 M623 T624 L625 M835 L844 L846 N847 K848V597-F599 HydrophobicContact CG1-CE2 4.04Å; V597-F599 HydrophobicContact CG2-CD2 4.32Å; V597-F599 HydrophobicContact CG2-CE2 3.87Å; V597-F599 HydrophobicContact CG2-CZ 4.03Å; V597-M623 HydrophobicContact CG2-CE 3.93Å; V597-M623 HydrophobicContact CG2-CG 4.03Å; V597-T624 WeakPolarHBondContact CA-O 3.28Å; V597-L625 HydrophobicContact CB-CD2 3.69Å; V597-L625 HydrophobicContact CG2-CD2 3.9Å; V597-M835 HydrophobicContact CB-CE 3.85Å; V597-M835 HydrophobicContact CG1-CE 4.06Å; V597-M835 HydrophobicContact CG2-CE 4.22Å; V597-M835 HydrophobicContact CG2-SD 4.4Å; V597-L844 HydrophobicContact CB-CD1 4.08Å; V597-L844 HydrophobicContact CG1-CD1 3.92Å; V597-L844 HydrophobicContact CG1-CD2 4Å; V597-L844 HydrophobicContact CG1-CG 4.43Å; V597-L846 PolarHBondContact N-O 2.84Å; V597-N847 HydrophobicContact CG1-CB 4Å; V597-N847 WeakPolarHBondContact CG1-OD1 3.44Å; V597-K848 PolarHBondContact O-N 3.14Å
598A97.6Very high87.2Confident23 Ų2339.8 Ų39.819%0.1923%0.233CC..EExtended strand (participates in β ladder)trans-126.7124.2169.400000109.8M623 T624 K848A598-M623 WeakPolarHBondContact O-CA 3.39Å; A598-T624 PolarHBondContact N-O 3.49Å; A598-T624 PolarHBondContact O-N 2.93Å; A598-K848 CarbonylContact C-O 3.59Å; A598-K848 VanDerWaalsContact CA-O 3.28Å; A598-K848 WeakPolarHBondContact CA-O 3.39Å
599F97.8Very high89.1Confident0 Ų037.9 Ų37.90%021%0.212CC..EExtended strand (participates in β ladder)trans-101.3118.8166.8-63.8-79.1000108V597 D622 M623 L648 Y709 T829 V833 M835 K848 K849 R850V597-F599 HydrophobicContact CG1-CE2 4.04Å; V597-F599 HydrophobicContact CG2-CD2 4.32Å; V597-F599 HydrophobicContact CG2-CE2 3.87Å; V597-F599 HydrophobicContact CG2-CZ 4.03Å; F599-D622 WeakPolarHBondContact CA-O 3.48Å; F599-M623 HydrophobicContact CD1-CB 4.01Å; F599-M623 HydrophobicContact CD1-CG 4.04Å; F599-M623 HydrophobicContact CE1-CB 3.94Å; F599-M623 HydrophobicContact CE1-CG 3.61Å; F599-M623 HydrophobicContact CE1-SD 3.83Å; F599-M623 HydrophobicContact CZ-CG 4.25Å; F599-M623 HydrophobicContact CZ-SD 4.28Å; F599-L648 HydrophobicContact CE1-CD1 4.31Å; F599-Y709 HydrophobicContact CD1-CE1 4.5Å; F599-T829 HydrophobicContact CB-CG2 3.89Å; F599-V833 HydrophobicContact CD1-CG1 4.17Å; F599-V833 HydrophobicContact CE1-CG1 3.65Å; F599-V833 HydrophobicContact CZ-CG1 4.22Å; F599-M835 HydrophobicContact CE2-CB 4.43Å; F599-M835 HydrophobicContact CZ-CB 3.92Å; F599-K848 PolarHBondContact N-O 3.34Å; F599-K849 HydrophobicContact CD2-CG 4.2Å; F599-R850 PolarHBondContact O-N 3.03Å
600T97.3Very high90.6Very high20 Ų2034.8 Ų34.812%0.12319%0.194CC..EExtended strand (participates in β ladder)trans-117.1120.9174-55.70000109.1G621 D622 R850T600-G621 CarbonylContact O-C 3.58Å; T600-G621 VanDerWaalsContact O-CA 3.25Å; T600-G621 WeakPolarHBondContact O-CA 3.32Å; T600-D622 PolarHBondContact N-O 3.45Å; T600-D622 VanDerWaalsContact N-O 3.08Å; T600-D622 PolarHBondContact O-N 3.35Å; T600-R850 HydrophobicContact CG2-CG 4.32Å; T600-R850 PolarHBondContact OG1-NE 3.36Å; T600-R850 PolarHBondContact OG1-NH2 2.85Å
601E97.8Very high92.1Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-111151.1175.2-68.6-179.5172.500112.8I619 Y709 T829 L830 S831 R850 F851 A852E601-I619 HydrophobicContact CB-CG2 4.42Å; E601-Y709 HydrophobicContact CG-CE2 4.09Å; E601-Y709 WeakPolarHBondContact CG-OH 3.34Å; E601-Y709 WeakPolarHBondContact OE1-CE2 3.44Å; E601-T829 HydrophobicContact CG-CG2 4.33Å; E601-T829 WeakPolarHBondContact OE1-CB 3.5Å; E601-L830 WeakPolarHBondContact OE2-CA 3.5Å; E601-L830 VanDerWaalsContact OE2-CB 3.27Å; E601-L830 WeakPolarHBondContact OE2-CB 3.41Å; E601-L830 PolarHBondContact OE2-N 2.93Å; E601-S831 WeakPolarHBondContact OE1-CB 3.47Å; E601-S831 PolarHBondContact OE1-N 2.97Å; E601-S831 PolarHBondContact OE1-OG 2.8Å; E601-S831 PolarHBondContact OE2-N 3.42Å; E601-R850 PolarHBondContact N-O 3.11Å; E601-F851 HydrophobicContact CB-CB 3.84Å; E601-F851 CarbonylContact O-C 3.58Å; E601-F851 VanDerWaalsContact O-CA 3.27Å; E601-F851 WeakPolarHBondContact O-CA 3.33Å; E601-A852 PolarHBondContact O-N 3.17Å
602T97.9Very high92.9Very high49 Ų4926.7 Ų26.730%0.30116%0.159SC..EExtended strand (participates in β ladder)trans-123116.1174.4-58.40000109.3I619 T620 A852T602-I619 WeakPolarHBondContact O-CA 3.49Å; T602-T620 PolarHBondContact N-O 3.17Å; T602-T620 PolarHBondContact O-N 3.29Å; T602-A852 CarbonylContact C-O 3.54Å; T602-A852 VanDerWaalsContact CA-O 3.32Å; T602-A852 WeakPolarHBondContact CA-O 3.2Å
603V97.6Very high93Very high0 Ų031.4 Ų31.40%019%0.185CC..EExtended strand (participates in β ladder)trans-92.8122.1173.6570000110.7I619 F823 L830 A852 G854 Y856V603-I619 HydrophobicContact CB-CG1 4.13Å; V603-I619 HydrophobicContact CG2-CG1 3.89Å; V603-F823 HydrophobicContact CG1-CE2 4.19Å; V603-F823 HydrophobicContact CG1-CZ 4.31Å; V603-L830 HydrophobicContact CB-CD1 3.74Å; V603-L830 HydrophobicContact CG1-CD1 4.2Å; V603-L830 HydrophobicContact CG2-CD1 4.22Å; V603-A852 PolarHBondContact N-O 3.2Å; V603-G854 PolarHBondContact O-N 3.25Å; V603-Y856 HydrophobicContact CG1-CD2 4.08Å; V603-Y856 HydrophobicContact CG1-CE2 4.06Å; V603-Y856 HydrophobicContact CG2-CD2 4.16Å; V603-Y856 HydrophobicContact CG2-CE2 3.84Å
604N97.5Very high92.9Very high34 Ų3435 Ų3518%0.18220%0.2CC..EExtended strand (participates in β ladder)trans-106.4136.8167.4-53.4-95.2000107.9V617 K618 R855N604-V617 WeakPolarHBondContact O-CA 3.49Å; N604-K618 WeakPolarHBondContact CB-O 3.48Å; N604-K618 PolarHBondContact N-O 2.8Å; N604-K618 PolarHBondContact ND2-O 2.99Å; N604-K618 PolarHBondContact O-N 2.99Å; N604-R855 CarbonylContact C-O 3.59Å; N604-R855 VanDerWaalsContact CA-O 3.27Å; N604-R855 WeakPolarHBondContact CA-O 3.5Å; N604-R855 PolarHBondContact OD1-N 2.93Å
605A97Very high92.9Very high4 Ų434.3 Ų34.33%0.03320%0.196CC..EExtended strand (participates in β ladder)trans-146.8143.5178.900000110.4F607 I616 V617 T719 R855 Y856 M857A605-F607 HydrophobicContact CB-CD2 4.44Å; A605-F607 HydrophobicContact CB-CE2 3.73Å; A605-F607 HydrophobicContact CB-CZ 4.33Å; A605-I616 CarbonylContact C-O 3.54Å; A605-I616 WeakPolarHBondContact CA-O 3.44Å; A605-V617 HydrophobicContact CB-CG2 4.36Å; A605-T719 HydrophobicContact CB-CG2 3.49Å; A605-T719 VanDerWaalsContact CB-CG2 3.49Å; A605-R855 PolarHBondContact N-O 3.02Å; A605-Y856 HydrophobicContact CB-CD1 4.38Å; A605-Y856 HydrophobicContact CB-CD2 3.63Å; A605-Y856 HydrophobicContact CB-CE1 4.33Å; A605-Y856 HydrophobicContact CB-CE2 3.55Å; A605-Y856 HydrophobicContact CB-CG 4.07Å; A605-Y856 CarbonylContact O-C 3.56Å; A605-Y856 WeakPolarHBondContact O-CA 3.08Å; A605-M857 PolarHBondContact O-N 2.92Å
606Y96.1Very high92.8Very high56 Ų5639.8 Ų39.822%0.2222%0.224CC..EExtended strand (participates in β ladder)trans-131.4115.3174.3173.4-100.9000109.2K608 C615 I616 M857 D859Y606-K608 HydrophobicContact CE1-CB 4.15Å; Y606-K608 HydrophobicContact CE1-CD 4.43Å; Y606-C615 WeakPolarHBondContact O-CA 3.15Å; Y606-I616 HydrophobicContact CD1-CD1 4.46Å; Y606-I616 PolarHBondContact N-O 3.48Å; Y606-I616 PolarHBondContact O-N 3.03Å; Y606-M857 WeakPolarHBondContact CA-O 3.46Å; Y606-M857 HydrophobicContact CD2-CB 4.43Å; Y606-M857 HydrophobicContact CD2-CE 4.42Å; Y606-D859 HydrophobicContact CE2-CB 4.28Å; Y606-D859 WeakPolarHBondContact CE2-OD2 3.46Å; Y606-D859 VanDerWaalsContact CZ-OD2 3.28Å; Y606-D859 PolarHBondContact OH-OD2 3.38Å
607F94.9Very high92.8Very high5 Ų539.9 Ų39.92%0.02222%0.223CC..EExtended strand (participates in β ladder)trans-101.7141.7176.6-57.4-101.1000109.8A605 C615 I716 T719 L723 Y856 M857 A858 D859A605-F607 HydrophobicContact CB-CD2 4.44Å; A605-F607 HydrophobicContact CB-CE2 3.73Å; A605-F607 HydrophobicContact CB-CZ 4.33Å; F607-C615 HydrophobicContact CD1-CB 4.39Å; F607-I716 HydrophobicContact CD1-CD1 4.35Å; F607-I716 HydrophobicContact CE1-CD1 4.08Å; F607-I716 HydrophobicContact CE1-CG1 4.12Å; F607-T719 HydrophobicContact CE1-CG2 4.47Å; F607-T719 HydrophobicContact CE2-CG2 4.26Å; F607-T719 HydrophobicContact CZ-CG2 3.65Å; F607-L723 HydrophobicContact CD1-CB 4.19Å; F607-L723 WeakPolarHBondContact CD1-O 3.44Å; F607-L723 HydrophobicContact CD2-CB 3.95Å; F607-L723 HydrophobicContact CD2-CD1 3.9Å; F607-L723 HydrophobicContact CD2-CG 4.08Å; F607-L723 HydrophobicContact CE1-CB 4.37Å; F607-L723 HydrophobicContact CE2-CB 4.15Å; F607-L723 HydrophobicContact CE2-CD1 3.9Å; F607-L723 HydrophobicContact CE2-CG 3.88Å; F607-L723 HydrophobicContact CG-CB 3.98Å; F607-L723 HydrophobicContact CZ-CB 4.35Å; F607-L723 HydrophobicContact CZ-CG 4.21Å; F607-Y856 HydrophobicContact CE2-CD1 4.17Å; F607-Y856 AromaticContact CE2-CE1 3.55Å; F607-Y856 HydrophobicContact CE2-CE1 3.55Å; F607-Y856 AromaticContact CE2-CZ 3.94Å; F607-Y856 HydrophobicContact CZ-CE1 4.11Å; F607-M857 WeakPolarHBondContact CD2-O 3.35Å; F607-M857 PolarHBondContact N-O 3.09Å; F607-A858 HydrophobicContact CB-CB 3.88Å; F607-A858 HydrophobicContact CD2-CB 4.45Å; F607-A858 WeakPolarHBondContact O-CA 3.25Å; F607-D859 PolarHBondContact O-N 3.17Å
608K89.3Confident92.7Very high101 Ų10144.3 Ų44.344%0.43924%0.242SC..EExtended strand (participates in β ladder)trans-121.999.8-179.7-174.3158.4-174.9156.50111.4Y606 A610 D611 K614Y606-K608 HydrophobicContact CE1-CB 4.15Å; Y606-K608 HydrophobicContact CE1-CD 4.43Å; K608-A610 PolarHBondContact O-N 3.32Å; K608-D611 PolarHBondContact O-N 3.41Å; K608-K614 HydrophobicContact CB-CB 3.99Å; K608-K614 HydrophobicContact CD-CD 4.33Å; K608-K614 HydrophobicContact CG-CD 4.47Å
609G81.4Confident92.7Very high5 Ų543.4 Ų43.45%0.05223%0.234CC..THydrogen-bonded Turntrans65.1-126.9-17500000111.5V725 D859 C860G609-V725 PolarHBondContact O-N 3.36Å; G609-D859 WeakPolarHBondContact CA-O 3.47Å; G609-D859 PolarHBondContact N-O 3.12Å; G609-C860 VanDerWaalsContact CA-OXT 3.23Å; G609-C860 WeakPolarHBondContact CA-OXT 3.41Å
610A79.8Confident92.7Very high54 Ų5445.7 Ų45.745%0.44625%0.248SC..THydrogen-bonded Turntrans-112.918.5176.400000113.2K608 P612 A724 Y726K608-A610 PolarHBondContact O-N 3.32Å; A610-P612 WeakPolarHBondContact O-CD 3.44Å; A610-A724 HydrophobicContact CB-CB 4.18Å; A610-Y726 HydrophobicContact CB-CE1 3.78Å; A610-Y726 WeakPolarHBondContact CB-OH 3.4Å
611D84.4Confident92.7Very high52 Ų5245.1 Ų45.128%0.27825%0.246SC..EExtended strand (participates in β ladder)trans-95.3109.6-176.9-171-21.6000111.9K608 T613 K614K608-D611 PolarHBondContact O-N 3.41Å; D611-T613 PolarHBondContact O-N 2.74Å; D611-T613 WeakPolarHBondContact OD1-CB 3.33Å; D611-T613 PolarHBondContact OD1-N 2.71Å; D611-T613 PolarHBondContact OD1-OG1 3.09Å; D611-T613 PolarHBondContact OD2-OG1 3.43Å; D611-K614 HydrophobicContact CB-CB 4.42Å; D611-K614 HydrophobicContact CB-CD 4.42Å; D611-K614 HydrophobicContact CB-CG 4.27Å; D611-K614 PolarHBondContact O-N 2.99Å; D611-K614 IonicContact OD2-NZ 3.78Å; D611-K614 PolarHBondContact OD2-NZ 2.89Å
612P83.7Confident92.7Very high68 Ų6847.2 Ų47.244%0.44226%0.257SS..EExtended strand (participates in β ladder)trans-63.6-28.6-179.526.4-34.5000112.9A610 K614 C615 I716A610-P612 WeakPolarHBondContact O-CD 3.44Å; P612-K614 PolarHBondContact O-N 3.49Å; P612-C615 WeakPolarHBondContact O-CB 3.3Å; P612-C615 PolarHBondContact O-N 3.03Å; P612-I716 HydrophobicContact CB-CD1 3.93Å; P612-I716 HydrophobicContact CB-CG2 3.87Å
613T87Confident92.7Very high118 Ų11844.9 Ų44.972%0.72424%0.243SC*.EExtended strand (participates in β ladder)trans-72.9-13-177.871.10000113.2D611D611-T613 PolarHBondContact O-N 2.74Å; D611-T613 WeakPolarHBondContact OD1-CB 3.33Å; D611-T613 PolarHBondContact OD1-N 2.71Å; D611-T613 PolarHBondContact OD1-OG1 3.09Å; D611-T613 PolarHBondContact OD2-OG1 3.43Å
614K89.6Confident92.7Very high104 Ų10445.9 Ų45.945%0.45225%0.249SC..EExtended strand (participates in β ladder)trans-102.89.2177.9-61.1-169.417877.30113.2K608 D611 P612 I616K608-K614 HydrophobicContact CB-CB 3.99Å; K608-K614 HydrophobicContact CD-CD 4.33Å; K608-K614 HydrophobicContact CG-CD 4.47Å; D611-K614 HydrophobicContact CB-CB 4.42Å; D611-K614 HydrophobicContact CB-CD 4.42Å; D611-K614 HydrophobicContact CB-CG 4.27Å; D611-K614 PolarHBondContact O-N 2.99Å; D611-K614 IonicContact OD2-NZ 3.78Å; D611-K614 PolarHBondContact OD2-NZ 2.89Å; P612-K614 PolarHBondContact O-N 3.49Å; K614-I616 PolarHBondContact O-N 3.31Å
615C93.3Very high92.7Very high11 Ų1144.2 Ų44.27%0.07424%0.24CC..EExtended strand (participates in β ladder)trans-72.9119.4172.9-171.20000110.3Y606 F607 P612 I716Y606-C615 WeakPolarHBondContact O-CA 3.15Å; F607-C615 HydrophobicContact CD1-CB 4.39Å; P612-C615 WeakPolarHBondContact O-CB 3.3Å; P612-C615 PolarHBondContact O-N 3.03Å; C615-I716 HydrophobicContact CB-CB 3.87Å
616I94.3Very high92.7Very high115 Ų11545.2 Ų45.259%0.5925%0.247SC*.EExtended strand (participates in β ladder)trans-106.7125.5175-58.4173.8000108.2A605 Y606 K614A605-I616 CarbonylContact C-O 3.54Å; A605-I616 WeakPolarHBondContact CA-O 3.44Å; Y606-I616 HydrophobicContact CD1-CD1 4.46Å; Y606-I616 PolarHBondContact N-O 3.48Å; Y606-I616 PolarHBondContact O-N 3.03Å; K614-I616 PolarHBondContact O-N 3.31Å
617V96.2Very high92.7Very high16 Ų1642.6 Ų42.610%0.09724%0.236CC..EExtended strand (participates in β ladder)trans-122.4147.8-176.8-179.10000110.1N604 A605 I619 S713 G715 T719N604-V617 WeakPolarHBondContact O-CA 3.49Å; A605-V617 HydrophobicContact CB-CG2 4.36Å; V617-I619 HydrophobicContact CG1-CD1 4.32Å; V617-I619 HydrophobicContact CG1-CG1 4.08Å; V617-S713 PolarHBondContact O-OG 3Å; V617-G715 VanDerWaalsContact CG2-O 3.23Å; V617-G715 WeakPolarHBondContact CG2-O 3.47Å; V617-T719 HydrophobicContact CG1-CG2 4.48Å; V617-T719 HydrophobicContact CG2-CG2 3.62Å
618K96.8Very high92.7Very high96 Ų9644.5 Ų44.542%0.41725%0.249SC..EExtended strand (participates in β ladder)trans-148.6112.4166.6177.8162.6-177.4146.40110.3N604 T620 Q710N604-K618 WeakPolarHBondContact CB-O 3.48Å; N604-K618 PolarHBondContact N-O 2.8Å; N604-K618 PolarHBondContact ND2-O 2.99Å; N604-K618 PolarHBondContact O-N 2.99Å; K618-T620 HydrophobicContact CG-CG2 4.19Å; K618-Q710 VanDerWaalsContact NZ-CD 3.31Å
619I97.7Very high92.7Very high4 Ų443.9 Ų43.92%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-103129.6174.9-55.3157.7000108.6E601 T602 V603 V617 V711 L830E601-I619 HydrophobicContact CB-CG2 4.42Å; T602-I619 WeakPolarHBondContact O-CA 3.49Å; V603-I619 HydrophobicContact CB-CG1 4.13Å; V603-I619 HydrophobicContact CG2-CG1 3.89Å; V617-I619 HydrophobicContact CG1-CD1 4.32Å; V617-I619 HydrophobicContact CG1-CG1 4.08Å; I619-V711 HydrophobicContact CB-CB 3.98Å; I619-V711 HydrophobicContact CB-CG2 3.89Å; I619-V711 HydrophobicContact CG2-CB 4.21Å; I619-V711 HydrophobicContact CG2-CG2 3.58Å; I619-V711 PolarHBondContact O-N 3.26Å; I619-L830 HydrophobicContact CD1-CB 4.05Å; I619-L830 HydrophobicContact CD1-CD1 3.84Å; I619-L830 HydrophobicContact CG1-CD1 4.05Å; I619-L830 HydrophobicContact CG2-CB 4.43Å; I619-L830 HydrophobicContact CG2-CD1 4.14Å
620T97.9Very high93.1Very high48 Ų4846 Ų4629%0.29427%0.271SS..EExtended strand (participates in β ladder)trans-131.2136.6176.752.60000109.6T602 K618 Y709T602-T620 PolarHBondContact N-O 3.17Å; T602-T620 PolarHBondContact O-N 3.29Å; K618-T620 HydrophobicContact CG-CG2 4.19Å; T620-Y709 CarbonylContact C-O 3.46Å; T620-Y709 WeakPolarHBondContact CA-O 3.43Å
621G97.3Very high93.6Very high8 Ų843.6 Ų43.68%0.08225%0.251CS..EExtended strand (participates in β ladder)trans-128.4158.4179.700000114.3T600 K708 Y709T600-G621 CarbonylContact O-C 3.58Å; T600-G621 VanDerWaalsContact O-CA 3.25Å; T600-G621 WeakPolarHBondContact O-CA 3.32Å; G621-K708 CarbonylContact O-C 3.6Å; G621-K708 WeakPolarHBondContact O-CA 3.46Å; G621-Y709 PolarHBondContact N-O 2.9Å; G621-Y709 WeakPolarHBondContact O-CD1 3.44Å; G621-Y709 PolarHBondContact O-N 3.1Å
622D96.8Very high93.8Very high43 Ų4342 Ų4223%0.2324%0.242CC..EExtended strand (participates in β ladder)trans-114.9153.5165.467.9-107.2000111F599 T600 T624 K708F599-D622 WeakPolarHBondContact CA-O 3.48Å; T600-D622 PolarHBondContact N-O 3.45Å; T600-D622 VanDerWaalsContact N-O 3.08Å; T600-D622 PolarHBondContact O-N 3.35Å; D622-T624 PolarHBondContact OD2-OG1 2.93Å; D622-K708 HydrophobicContact CB-CG 4.22Å
623M97.6Very high94Very high0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-121.1121.8168.8177.4-172.3169.100107.7V597 A598 F599 F646 L648 I706 L707 Y709 M835V597-M623 HydrophobicContact CG2-CE 3.93Å; V597-M623 HydrophobicContact CG2-CG 4.03Å; A598-M623 WeakPolarHBondContact O-CA 3.39Å; F599-M623 HydrophobicContact CD1-CB 4.01Å; F599-M623 HydrophobicContact CD1-CG 4.04Å; F599-M623 HydrophobicContact CE1-CB 3.94Å; F599-M623 HydrophobicContact CE1-CG 3.61Å; F599-M623 HydrophobicContact CE1-SD 3.83Å; F599-M623 HydrophobicContact CZ-CG 4.25Å; F599-M623 HydrophobicContact CZ-SD 4.28Å; M623-F646 HydrophobicContact CE-CD2 4.08Å; M623-F646 HydrophobicContact CE-CE2 3.73Å; M623-F646 HydrophobicContact CE-CZ 3.96Å; M623-F646 HydrophobicContact SD-CE2 4.12Å; M623-F646 HydrophobicContact SD-CZ 4.39Å; M623-L648 HydrophobicContact SD-CD1 3.95Å; M623-I706 HydrophobicContact CE-CG2 4.32Å; M623-I706 HydrophobicContact CG-CB 4.47Å; M623-I706 WeakPolarHBondContact O-CB 3.49Å; M623-I706 PolarHBondContact O-N 3.31Å; M623-I706 HydrophobicContact SD-CG2 4.35Å; M623-L707 HydrophobicContact CB-CD1 3.5Å; M623-L707 HydrophobicContact CB-CG 3.84Å; M623-L707 HydrophobicContact CG-CD1 4.38Å; M623-L707 HydrophobicContact CG-CG 4.39Å; M623-L707 PolarHBondContact N-O 3.2Å; M623-L707 PolarHBondContact O-N 3.35Å; M623-L707 HydrophobicContact SD-CD1 4Å; M623-L707 HydrophobicContact SD-CD2 3.87Å; M623-L707 HydrophobicContact SD-CG 3.74Å; M623-Y709 HydrophobicContact CB-CE1 4.48Å; M623-M835 HydrophobicContact CE-CB 4.16Å; M623-M835 HydrophobicContact CE-CG 3.99Å; M623-M835 HydrophobicContact CE-SD 3.32Å; M623-M835 WeakPolarHBondContact CE-SD 3.36Å
624T97.6Very high94Very high21 Ų2142.4 Ų42.413%0.12923%0.229CC..EExtended strand (participates in β ladder)trans-119.6135.3-179.7-64.90000109.2V597 A598 D622 N703 V704V597-T624 WeakPolarHBondContact CA-O 3.28Å; A598-T624 PolarHBondContact N-O 3.49Å; A598-T624 PolarHBondContact O-N 2.93Å; D622-T624 PolarHBondContact OD2-OG1 2.93Å; T624-N703 HydrophobicContact CG2-CB 3.88Å; T624-V704 WeakPolarHBondContact CA-O 3.15Å
625L97.6Very high94.1Very high0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-104.8137.9168.4-77.3177000110.2I595 A596 V597 F627 L644 F680 N703 V704 I706 M835I595-L625 HydrophobicContact CD1-CD2 4.4Å; A596-L625 CarbonylContact O-C 3.59Å; A596-L625 WeakPolarHBondContact O-CA 3.31Å; A596-L625 VanDerWaalsContact O-CD2 3.23Å; A596-L625 WeakPolarHBondContact O-CD2 3.42Å; V597-L625 HydrophobicContact CB-CD2 3.69Å; V597-L625 HydrophobicContact CG2-CD2 3.9Å; L625-F627 HydrophobicContact CB-CD2 4.36Å; L625-F627 HydrophobicContact CB-CE2 3.61Å; L625-F627 HydrophobicContact CB-CZ 4.1Å; L625-F627 HydrophobicContact CD1-CZ 4.2Å; L625-L644 HydrophobicContact CD1-CD2 4.16Å; L625-F680 HydrophobicContact CD1-CE2 3.89Å; L625-F680 HydrophobicContact CD1-CZ 3.74Å; L625-N703 WeakPolarHBondContact O-CA 3.33Å; L625-V704 PolarHBondContact N-O 3.42Å; L625-V704 PolarHBondContact O-N 2.83Å; L625-I706 HydrophobicContact CB-CD1 4.18Å; L625-I706 HydrophobicContact CB-CG1 3.84Å; L625-I706 HydrophobicContact CD1-CD1 4.36Å; L625-I706 HydrophobicContact CD1-CG1 4Å; L625-I706 HydrophobicContact CG-CD1 4.47Å; L625-I706 HydrophobicContact CG-CG1 3.79Å; L625-M835 HydrophobicContact CD2-CE 4.07Å; L625-M835 HydrophobicContact CD2-SD 4.2Å
626S97.1Very high93.8Very high25 Ų2540.4 Ų40.418%0.17523%0.225CC..EExtended strand (participates in β ladder)trans-108.6124.1176.2-52.20000110.4A596 Y702 N703A596-S626 PolarHBondContact N-O 2.69Å; A596-S626 PolarHBondContact O-N 2.77Å; S626-Y702 WeakPolarHBondContact CA-O 3.32Å; S626-N703 WeakPolarHBondContact CB-OD1 3.32Å; S626-N703 PolarHBondContact OG-OD1 3.35Å
627F96Very high93.4Very high0 Ų039.9 Ų39.90%023%0.227CC..EExtended strand (participates in β ladder)trans-110.7124.8-176.8-68.3-92.2000110.1I595 L625 I631 L644 L685 L689 Y701 Y702 V704I595-F627 HydrophobicContact CG2-CD1 3.68Å; I595-F627 HydrophobicContact CG2-CE1 3.84Å; I595-F627 HydrophobicContact CG2-CG 4.49Å; L625-F627 HydrophobicContact CB-CD2 4.36Å; L625-F627 HydrophobicContact CB-CE2 3.61Å; L625-F627 HydrophobicContact CB-CZ 4.1Å; L625-F627 HydrophobicContact CD1-CZ 4.2Å; F627-I631 HydrophobicContact CB-CG2 4.08Å; F627-I631 HydrophobicContact CD1-CD1 4.21Å; F627-I631 HydrophobicContact CD1-CG2 4.36Å; F627-L644 HydrophobicContact CE1-CD2 3.81Å; F627-L644 HydrophobicContact CZ-CD2 3.78Å; F627-L685 HydrophobicContact CE1-CD1 4.45Å; F627-L685 HydrophobicContact CE1-CD2 3.94Å; F627-L685 HydrophobicContact CE2-CD1 4.08Å; F627-L685 HydrophobicContact CZ-CD1 3.93Å; F627-L685 HydrophobicContact CZ-CD2 3.96Å; F627-L689 HydrophobicContact CB-CD1 4.16Å; F627-L689 HydrophobicContact CB-CD2 3.89Å; F627-L689 HydrophobicContact CD1-CD1 4.12Å; F627-L689 HydrophobicContact CD2-CD2 4.08Å; F627-L689 HydrophobicContact CG-CD1 4.02Å; F627-L689 HydrophobicContact CG-CD2 4.08Å; F627-Y701 CarbonylContact O-C 3.51Å; F627-Y701 VanDerWaalsContact O-CA 3.23Å; F627-Y701 WeakPolarHBondContact O-CA 3.49Å; F627-Y702 PolarHBondContact N-O 3.09Å; F627-Y702 PolarHBondContact O-N 2.93Å; F627-V704 HydrophobicContact CD2-CB 4.48Å; F627-V704 HydrophobicContact CD2-CG2 3.65Å; F627-V704 HydrophobicContact CE2-CB 4.18Å; F627-V704 HydrophobicContact CE2-CG2 3.73Å
628P94.6Very high92.7Very high45 Ų4542.2 Ų42.229%0.29224%0.239SC..EExtended strand (participates in β ladder)trans-70.4143.7179.229.8-34.5000110.9P594 G630 I631P594-P628 HydrophobicContact CG-CG 4.43Å; P594-P628 WeakPolarHBondContact O-CD 3.11Å; P594-P628 VanDerWaalsContact O-CG 3.32Å; P594-P628 WeakPolarHBondContact O-CG 3.48Å; P628-G630 PolarHBondContact O-N 3.43Å; P628-I631 HydrophobicContact CG-CB 4.45Å; P628-I631 WeakPolarHBondContact O-CB 3.5Å; P628-I631 VanDerWaalsContact O-CG2 3.28Å; P628-I631 WeakPolarHBondContact O-CG2 3.4Å; P628-I631 PolarHBondContact O-N 3.27Å
629M90.6Very high91.6Very high88 Ų8843.9 Ų43.943%0.43326%0.26SS..THydrogen-bonded Turntrans-49.3-40.5-174.3-175.6-167.9-167.800114I631 I632 P697 S700 Y702M629-I631 PolarHBondContact O-N 2.96Å; M629-I631 VanDerWaalsContact O-N 3.15Å; M629-I632 PolarHBondContact O-N 3.41Å; M629-P697 WeakPolarHBondContact CE-O 3.18Å; M629-S700 PolarHBondContact N-O 3.41Å; M629-Y702 HydrophobicContact CB-CE2 3.99Å; M629-Y702 HydrophobicContact CG-CE2 4Å
630G88.6Confident90.7Very high49 Ų4948 Ų4851%0.50529%0.289SS..Hα-helixtrans-60.1-23.1179.800000115P628 I632 K633P628-G630 PolarHBondContact O-N 3.43Å; G630-I632 PolarHBondContact O-N 3.38Å; G630-K633 PolarHBondContact O-N 2.97Å
631I90.6Very high90Very high5 Ų546.9 Ų46.93%0.02628%0.282CS..Hα-helixtrans-66-26.9-179.9-146.6174.7000112.2L593 I595 F627 P628 M629 K633 V634 F635 L689 Y842L593-I631 HydrophobicContact CB-CD1 3.98Å; L593-I631 HydrophobicContact CB-CG1 4.48Å; L593-I631 HydrophobicContact CD1-CD1 4.05Å; L593-I631 HydrophobicContact CD1-CG1 4Å; L593-I631 HydrophobicContact CD2-CG1 4.43Å; L593-I631 HydrophobicContact CG-CD1 4.5Å; I595-I631 HydrophobicContact CG2-CD1 4.19Å; F627-I631 HydrophobicContact CB-CG2 4.08Å; F627-I631 HydrophobicContact CD1-CD1 4.21Å; F627-I631 HydrophobicContact CD1-CG2 4.36Å; P628-I631 HydrophobicContact CG-CB 4.45Å; P628-I631 WeakPolarHBondContact O-CB 3.5Å; P628-I631 VanDerWaalsContact O-CG2 3.28Å; P628-I631 WeakPolarHBondContact O-CG2 3.4Å; P628-I631 PolarHBondContact O-N 3.27Å; M629-I631 PolarHBondContact O-N 2.96Å; M629-I631 VanDerWaalsContact O-N 3.15Å; I631-K633 VanDerWaalsContact C-N 3.29Å; I631-K633 PolarHBondContact O-N 3.07Å; I631-V634 WeakPolarHBondContact O-CB 3.16Å; I631-V634 PolarHBondContact O-N 2.94Å; I631-V634 VanDerWaalsContact O-N 3.08Å; I631-F635 HydrophobicContact CD1-CE1 3.97Å; I631-F635 HydrophobicContact CD1-CE2 4.23Å; I631-F635 HydrophobicContact CD1-CZ 3.57Å; I631-F635 HydrophobicContact CG1-CD1 4.33Å; I631-F635 HydrophobicContact CG1-CE1 3.82Å; I631-F635 HydrophobicContact CG1-CE2 4.26Å; I631-F635 HydrophobicContact CG1-CZ 3.79Å; I631-F635 HydrophobicContact CG2-CE2 4.23Å; I631-F635 WeakPolarHBondContact O-CG 3.5Å; I631-F635 PolarHBondContact O-N 3.41Å; I631-L689 HydrophobicContact CG2-CD1 4.27Å; I631-Y842 HydrophobicContact CD1-CE1 4.18Å
632I89.4Confident89.6Confident19 Ų1949 Ų4910%0.09730%0.3CS..Hα-helixtrans-62.4-39.6177.4-57.7177.7000110.2M629 G630 V634 F635 T636 L689 Y702M629-I632 PolarHBondContact O-N 3.41Å; G630-I632 PolarHBondContact O-N 3.38Å; I632-V634 VanDerWaalsContact C-N 3.33Å; I632-V634 PolarHBondContact O-N 3.32Å; I632-F635 PolarHBondContact O-N 3Å; I632-T636 HydrophobicContact CG2-CG2 4.46Å; I632-T636 WeakPolarHBondContact O-CB 3.42Å; I632-T636 WeakPolarHBondContact O-CG2 3.32Å; I632-T636 PolarHBondContact O-N 3.2Å; I632-T636 PolarHBondContact O-OG1 3.46Å; I632-L689 HydrophobicContact CD1-CB 4.09Å; I632-L689 WeakPolarHBondContact CD1-O 3.39Å; I632-L689 HydrophobicContact CG1-CB 3.96Å; I632-Y702 HydrophobicContact CD1-CD2 3.88Å; I632-Y702 HydrophobicContact CD1-CE2 3.68Å
633K87.8Confident89.4Confident159 Ų15950.7 Ų50.769%0.69131%0.311SS*.Hα-helixtrans-66.1-36.6175.2-170.8174.5-177.9179.50111.4G630 I631 T636 T637G630-K633 PolarHBondContact O-N 2.97Å; I631-K633 VanDerWaalsContact C-N 3.29Å; I631-K633 PolarHBondContact O-N 3.07Å; K633-T636 WeakPolarHBondContact CA-OG1 3.41Å; K633-T636 PolarHBondContact O-N 3.14Å; K633-T636 PolarHBondContact O-OG1 2.97Å; K633-T637 VanDerWaalsContact O-CB 3.25Å; K633-T637 WeakPolarHBondContact O-CB 3.49Å; K633-T637 PolarHBondContact O-N 3.39Å; K633-T637 PolarHBondContact O-OG1 3.29Å
634V87.7Confident89.2Confident34 Ų3450.7 Ų50.721%0.20631%0.311CS..Hα-helixtrans-64.7-49.3175.9-1750000110.7L587 L593 I631 I632 T636 T637 N638L587-V634 HydrophobicContact CD2-CG2 3.57Å; L593-V634 HydrophobicContact CD1-CG1 4.15Å; L593-V634 HydrophobicContact CD2-CG1 4.3Å; L593-V634 HydrophobicContact CD2-CG2 4.23Å; I631-V634 WeakPolarHBondContact O-CB 3.16Å; I631-V634 PolarHBondContact O-N 2.94Å; I631-V634 VanDerWaalsContact O-N 3.08Å; I632-V634 VanDerWaalsContact C-N 3.33Å; I632-V634 PolarHBondContact O-N 3.32Å; V634-T636 VanDerWaalsContact C-N 3.29Å; V634-T636 PolarHBondContact O-N 3.5Å; V634-T637 PolarHBondContact O-N 3.2Å; V634-N638 WeakPolarHBondContact O-CB 3.23Å; V634-N638 PolarHBondContact O-N 3.38Å
635F90.1Very high89.1Confident10 Ų1050.6 Ų50.64%0.04431%0.311CS..Hα-helixtrans-68.8-21.5-180-65.8-9.6000114.4L593 I631 I632 P641 M682 L685 T686 L689 Y842L593-F635 HydrophobicContact CD1-CE1 3.99Å; I631-F635 HydrophobicContact CD1-CE1 3.97Å; I631-F635 HydrophobicContact CD1-CE2 4.23Å; I631-F635 HydrophobicContact CD1-CZ 3.57Å; I631-F635 HydrophobicContact CG1-CD1 4.33Å; I631-F635 HydrophobicContact CG1-CE1 3.82Å; I631-F635 HydrophobicContact CG1-CE2 4.26Å; I631-F635 HydrophobicContact CG1-CZ 3.79Å; I631-F635 HydrophobicContact CG2-CE2 4.23Å; I631-F635 WeakPolarHBondContact O-CG 3.5Å; I631-F635 PolarHBondContact O-N 3.41Å; I632-F635 PolarHBondContact O-N 3Å; F635-P641 HydrophobicContact CD1-CB 3.88Å; F635-P641 HydrophobicContact CD1-CG 4.29Å; F635-P641 HydrophobicContact CE1-CB 4.26Å; F635-M682 HydrophobicContact CD1-CE 4.34Å; F635-M682 HydrophobicContact CD2-CE 4.47Å; F635-M682 HydrophobicContact CE1-CE 3.78Å; F635-M682 HydrophobicContact CE2-CE 3.94Å; F635-M682 HydrophobicContact CZ-CE 3.56Å; F635-L685 HydrophobicContact CE2-CD2 4.04Å; F635-L685 HydrophobicContact CE2-CG 4.41Å; F635-T686 HydrophobicContact CB-CG2 3.82Å; F635-T686 WeakPolarHBondContact CB-OG1 3.31Å; F635-L689 HydrophobicContact CD2-CD1 4.18Å; F635-L689 HydrophobicContact CE2-CD1 3.93Å; F635-Y842 HydrophobicContact CE1-CE1 4.19Å; F635-Y842 VanDerWaalsContact CE1-OH 3.32Å; F635-Y842 WeakPolarHBondContact CE1-OH 3.39Å; F635-Y842 HydrophobicContact CZ-CE1 4.02Å
636T86.7Confident89.1Confident63 Ų6350.6 Ų50.639%0.38731%0.311SS..Hα-helixtrans-95.1-19.1175.4530000114I632 K633 V634 T686I632-T636 HydrophobicContact CG2-CG2 4.46Å; I632-T636 WeakPolarHBondContact O-CB 3.42Å; I632-T636 WeakPolarHBondContact O-CG2 3.32Å; I632-T636 PolarHBondContact O-N 3.2Å; I632-T636 PolarHBondContact O-OG1 3.46Å; K633-T636 WeakPolarHBondContact CA-OG1 3.41Å; K633-T636 PolarHBondContact O-N 3.14Å; K633-T636 PolarHBondContact O-OG1 2.97Å; V634-T636 VanDerWaalsContact C-N 3.29Å; V634-T636 PolarHBondContact O-N 3.5Å; T636-T686 HydrophobicContact CG2-CG2 4.03Å
637T86.6Confident89Confident104 Ų10451.7 Ų51.764%0.63831%0.312SS*.Hα-helixtrans-90.1-32.9175.8-50.30000112.1K633 V634K633-T637 VanDerWaalsContact O-CB 3.25Å; K633-T637 WeakPolarHBondContact O-CB 3.49Å; K633-T637 PolarHBondContact O-N 3.39Å; K633-T637 PolarHBondContact O-OG1 3.29Å; V634-T637 PolarHBondContact O-N 3.2Å
638N82.3Confident89Confident65 Ų6551.7 Ų51.735%0.34831%0.312SS..  trans-96.5118.8174.6-178.8-4.2000110.2V634 S640V634-N638 WeakPolarHBondContact O-CB 3.23Å; V634-N638 PolarHBondContact O-N 3.38Å; N638-S640 PolarHBondContact ND2-O 2.95Å; N638-S640 PolarHBondContact O-N 3.25Å; N638-S640 PolarHBondContact OD1-N 2.89Å; N638-S640 PolarHBondContact OD1-O 3.15Å
639P72.3Confident89Confident132 Ų13253 Ų5386%0.85731%0.313SS*.SBendtrans-70.8-16.6178.630.6-36.5000113.9
640S79.1Confident89.1Confident91 Ų9151.5 Ų51.564%0.63631%0.307SS*.SBendtrans-134.874177.158.30000110.3N638N638-S640 PolarHBondContact ND2-O 2.95Å; N638-S640 PolarHBondContact O-N 3.25Å; N638-S640 PolarHBondContact OD1-N 2.89Å; N638-S640 PolarHBondContact OD1-O 3.15Å
641P84.6Confident89.3Confident23 Ų2349.6 Ų49.615%0.14929%0.285CS..PPolyproline II helixtrans-65.9154.9173.230.7-34.9000110.3F635 V643 M682F635-P641 HydrophobicContact CD1-CB 3.88Å; F635-P641 HydrophobicContact CD1-CG 4.29Å; F635-P641 HydrophobicContact CE1-CB 4.26Å; P641-V643 PolarHBondContact O-N 3.43Å; P641-M682 HydrophobicContact CB-CE 4.45Å; P641-M682 HydrophobicContact CG-CB 4.29Å; P641-M682 HydrophobicContact CG-CE 4.15Å
642A87.4Confident89.3Confident54 Ų5452.4 Ų52.445%0.44631%0.306SS..PPolyproline II helixtrans-55.9138.3173.600000110.5L644 Y842A642-L644 PolarHBondContact O-N 2.73Å; A642-Y842 HydrophobicContact CB-CE2 4.12Å; A642-Y842 VanDerWaalsContact O-CE2 3.24Å; A642-Y842 WeakPolarHBondContact O-CE2 3.34Å; A642-Y842 PolarHBondContact O-OH 2.68Å
643V92.6Very high89.4Confident77 Ų7756.2 Ų56.247%0.46732%0.319SS..PPolyproline II helixtrans-73.6116.1-179.5179.80000109.5P641 T645 W679 M682P641-V643 PolarHBondContact O-N 3.43Å; V643-T645 PolarHBondContact O-N 2.99Å; V643-T645 PolarHBondContact O-OG1 3.36Å; V643-T645 VanDerWaalsContact O-OG1 3.13Å; V643-W679 HydrophobicContact CG1-CB 4.26Å; V643-M682 HydrophobicContact CG2-CG 4.37Å
644L95Very high89.7Confident0 Ų049.7 Ų49.70%029%0.291CS..PPolyproline II helixtrans-64.1120.8172.1175.658000108.7I595 L625 F627 A642 F680 M682 L837 Y842I595-L644 HydrophobicContact CD1-CD1 3.54Å; I595-L644 HydrophobicContact CD1-CD2 3.83Å; I595-L644 HydrophobicContact CD1-CG 4.36Å; L625-L644 HydrophobicContact CD1-CD2 4.16Å; F627-L644 HydrophobicContact CE1-CD2 3.81Å; F627-L644 HydrophobicContact CZ-CD2 3.78Å; A642-L644 PolarHBondContact O-N 2.73Å; L644-F680 HydrophobicContact CB-CB 4.16Å; L644-F680 HydrophobicContact CB-CD2 3.85Å; L644-F680 HydrophobicContact CB-CG 4.23Å; L644-F680 HydrophobicContact CD2-CD2 3.6Å; L644-F680 HydrophobicContact CD2-CE2 3.6Å; L644-F680 HydrophobicContact CD2-CG 4.2Å; L644-F680 HydrophobicContact CD2-CZ 4.23Å; L644-F680 HydrophobicContact CG-CD2 3.51Å; L644-F680 HydrophobicContact CG-CE2 3.84Å; L644-F680 HydrophobicContact CG-CG 4.3Å; L644-F680 WeakPolarHBondContact O-CD2 3.14Å; L644-F680 PolarHBondContact O-N 2.87Å; L644-M682 HydrophobicContact CB-SD 4.03Å; L644-M682 PolarHBondContact N-SD 3.27Å; L644-M682 VanDerWaalsContact N-SD 3.43Å; L644-L837 HydrophobicContact CD1-CD2 3.96Å; L644-Y842 VanDerWaalsContact CA-CE2 3.48Å; L644-Y842 HydrophobicContact CB-CD2 4.06Å; L644-Y842 HydrophobicContact CB-CE1 4.32Å; L644-Y842 HydrophobicContact CB-CE2 3.7Å; L644-Y842 HydrophobicContact CD1-CD1 4.09Å; L644-Y842 HydrophobicContact CD1-CD2 3.76Å; L644-Y842 HydrophobicContact CD1-CE2 4.29Å; L644-Y842 HydrophobicContact CD1-CG 3.67Å
645T95.4Very high90Very high20 Ų2053.7 Ų53.712%0.12331%0.308CS..EExtended strand (participates in β ladder)trans-132.4139.8-175.7-520000108.8V643 F678 W679 Q838V643-T645 PolarHBondContact O-N 2.99Å; V643-T645 PolarHBondContact O-OG1 3.36Å; V643-T645 VanDerWaalsContact O-OG1 3.13Å; T645-F678 WeakPolarHBondContact CA-O 3.34Å; T645-W679 HydrophobicContact CG2-CD2 4.45Å; T645-W679 HydrophobicContact CG2-CG 3.99Å; T645-Q838 HydrophobicContact CG2-CB 3.77Å; T645-Q838 HydrophobicContact CG2-CG 4.15Å; T645-Q838 PolarHBondContact O-N 2.88Å
646F96.1Very high90.2Very high0 Ų058 Ų580%033%0.328CS..EExtended strand (participates in β ladder)trans-145.4151.9176.972-90.6000113M623 L648 L664 F678 F680 I706 L707 M835 D836 L837M623-F646 HydrophobicContact CE-CD2 4.08Å; M623-F646 HydrophobicContact CE-CE2 3.73Å; M623-F646 HydrophobicContact CE-CZ 3.96Å; M623-F646 HydrophobicContact SD-CE2 4.12Å; M623-F646 HydrophobicContact SD-CZ 4.39Å; F646-L648 HydrophobicContact CE2-CB 4.42Å; F646-L664 HydrophobicContact CE1-CD2 3.88Å; F646-L664 HydrophobicContact CZ-CD1 4.29Å; F646-L664 HydrophobicContact CZ-CD2 4.44Å; F646-F678 HydrophobicContact CD1-CB 4.01Å; F646-F678 HydrophobicContact CD2-CB 4.32Å; F646-F678 HydrophobicContact CD2-CD2 4.17Å; F646-F678 HydrophobicContact CE1-CB 3.55Å; F646-F678 HydrophobicContact CE1-CG 4.3Å; F646-F678 HydrophobicContact CE2-CB 3.9Å; F646-F678 AromaticContact CE2-CD2 3.48Å; F646-F678 HydrophobicContact CE2-CD2 3.48Å; F646-F678 VanDerWaalsContact CE2-CD2 3.48Å; F646-F678 HydrophobicContact CE2-CE2 4.29Å; F646-F678 AromaticContact CE2-CG 3.95Å; F646-F678 HydrophobicContact CE2-CG 3.95Å; F646-F678 HydrophobicContact CG-CB 4.38Å; F646-F678 HydrophobicContact CZ-CB 3.5Å; F646-F678 AromaticContact CZ-CD2 3.75Å; F646-F678 HydrophobicContact CZ-CD2 3.75Å; F646-F678 AromaticContact CZ-CG 3.73Å; F646-F678 HydrophobicContact CZ-CG 3.73Å; F646-F678 PolarHBondContact N-O 3.4Å; F646-F678 PolarHBondContact O-N 3.11Å; F646-F680 HydrophobicContact CD1-CD2 4.43Å; F646-F680 AromaticContact CD1-CE2 3.84Å; F646-F680 HydrophobicContact CD1-CE2 3.84Å; F646-F680 HydrophobicContact CE1-CD2 4.38Å; F646-F680 AromaticContact CE1-CE2 3.63Å; F646-F680 HydrophobicContact CE1-CE2 3.63Å; F646-F680 HydrophobicContact CE1-CZ 4.3Å; F646-I706 HydrophobicContact CE1-CG2 3.99Å; F646-I706 HydrophobicContact CZ-CG2 3.77Å; F646-L707 HydrophobicContact CE2-CD2 4.36Å; F646-L707 HydrophobicContact CZ-CD2 4.36Å; F646-M835 HydrophobicContact CB-CG 3.62Å; F646-M835 HydrophobicContact CB-SD 3.73Å; F646-M835 HydrophobicContact CD1-SD 4.45Å; F646-M835 HydrophobicContact CD2-CG 3.71Å; F646-M835 HydrophobicContact CD2-SD 4.03Å; F646-M835 HydrophobicContact CG-CG 3.91Å; F646-M835 HydrophobicContact CG-SD 3.83Å; F646-D836 CarbonylContact C-O 3.54Å; F646-D836 VanDerWaalsContact CA-O 3.31Å; F646-D836 WeakPolarHBondContact CA-O 3.47Å; F646-L837 HydrophobicContact CB-CD2 4.21Å
647K95.1Very high90.6Very high47 Ų4756.9 Ų56.920%0.20432%0.319CS..EExtended strand (participates in β ladder)trans-106.6117.5171.5179.6171.9-74.4-82.70108.8S675 K676 D677 M835 D836 Q838K647-S675 PolarHBondContact NZ-OG 3.05Å; K647-K676 CarbonylContact C-O 3.55Å; K647-K676 WeakPolarHBondContact CA-O 3.43Å; K647-D677 WeakPolarHBondContact CB-OD1 3.38Å; K647-D677 WeakPolarHBondContact CE-OD1 3.49Å; K647-D677 WeakPolarHBondContact CE-OD2 3.23Å; K647-D677 IonicContact NZ-OD1 2.95Å; K647-D677 PolarHBondContact NZ-OD1 3.16Å; K647-D677 IonicContact NZ-OD2 2.56Å; K647-D677 PolarHBondContact NZ-OD2 2.93Å; K647-M835 WeakPolarHBondContact O-CA 3.46Å; K647-D836 HydrophobicContact CB-CB 4.46Å; K647-D836 PolarHBondContact N-O 3.38Å; K647-D836 PolarHBondContact O-N 3.03Å; K647-Q838 HydrophobicContact CB-CG 4.31Å
648L96Very high91Very high0 Ų057.2 Ų57.20%032%0.315CS..EExtended strand (participates in β ladder)trans-78128.3169.4-164.971.5000108.5F599 M623 F646 T651 I657 S675 K676 F678 L707 V833F599-L648 HydrophobicContact CE1-CD1 4.31Å; M623-L648 HydrophobicContact SD-CD1 3.95Å; F646-L648 HydrophobicContact CE2-CB 4.42Å; L648-T651 HydrophobicContact CB-CG2 4.28Å; L648-T651 HydrophobicContact CD2-CG2 3.88Å; L648-T651 HydrophobicContact CG-CG2 4.06Å; L648-I657 HydrophobicContact CD2-CD1 4.34Å; L648-S675 CarbonylContact O-C 3.59Å; L648-S675 WeakPolarHBondContact O-CA 3.33Å; L648-S675 WeakPolarHBondContact O-CB 3.47Å; L648-K676 PolarHBondContact N-O 3.19Å; L648-K676 PolarHBondContact O-N 2.88Å; L648-F678 HydrophobicContact CB-CD2 4.32Å; L648-F678 HydrophobicContact CB-CE2 3.97Å; L648-F678 HydrophobicContact CD2-CE2 4.21Å; L648-L707 HydrophobicContact CD1-CD2 4.3Å; L648-L707 HydrophobicContact CD2-CD2 3.86Å; L648-V833 HydrophobicContact CD1-CG1 3.54Å; L648-V833 HydrophobicContact CG-CG1 4.07Å
649K94.8Very high91.6Very high74 Ų7455.9 Ų55.932%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-102.7163-179.8-77.9176.6171.5167.30112.4T651 N674 D834 D836K649-T651 PolarHBondContact O-N 2.7Å; K649-N674 CarbonylContact C-O 3.59Å; K649-D834 HydrophobicContact CB-CB 4.48Å; K649-D834 PolarHBondContact N-O 3.28Å; K649-D836 VanDerWaalsContact CE-OD1 3.26Å; K649-D836 WeakPolarHBondContact CE-OD1 3.32Å; K649-D836 WeakPolarHBondContact CE-OD2 3.47Å; K649-D836 IonicContact NZ-OD1 2.69Å; K649-D836 PolarHBondContact NZ-OD1 3.38Å; K649-D836 IonicContact NZ-OD2 3.76Å; K649-D836 PolarHBondContact NZ-OD2 3.02Å
650N92.5Very high92.7Very high56 Ų5651.7 Ų51.730%0.29928%0.28SS..  trans58.332.5175.5-64.7-19.5000113.7S652 R653 N674 G832N650-S652 PolarHBondContact O-N 2.7Å; N650-S652 VanDerWaalsContact O-N 3.16Å; N650-R653 PolarHBondContact O-N 2.68Å; N650-N674 WeakPolarHBondContact CA-OD1 3.41Å; N650-N674 PolarHBondContact N-O 3.2Å; N650-N674 PolarHBondContact OD1-ND2 3.12Å; N650-G832 WeakPolarHBondContact CB-O 3.3Å; N650-G832 PolarHBondContact ND2-O 3.28Å
651T92.8Very high93.4Very high8 Ų855.5 Ų55.55%0.04929%0.288CS..G310 helixtrans-67.1-14.4-179.458.20000113.6L648 K649 R653 L654 I657 S673 N674 S675 K676L648-T651 HydrophobicContact CB-CG2 4.28Å; L648-T651 HydrophobicContact CD2-CG2 3.88Å; L648-T651 HydrophobicContact CG-CG2 4.06Å; K649-T651 PolarHBondContact O-N 2.7Å; T651-R653 PolarHBondContact O-N 3.43Å; T651-L654 WeakPolarHBondContact O-CB 3.38Å; T651-L654 PolarHBondContact O-N 2.86Å; T651-I657 HydrophobicContact CG2-CD1 3.98Å; T651-S673 CarbonylContact C-O 3.5Å; T651-S673 PolarHBondContact OG1-O 3.07Å; T651-N674 PolarHBondContact N-O 2.95Å; T651-N674 VanDerWaalsContact N-O 3.11Å; T651-N674 VanDerWaalsContact OG1-CA 3.32Å; T651-N674 WeakPolarHBondContact OG1-CA 3.24Å; T651-N674 PolarHBondContact OG1-O 3.41Å; T651-S675 PolarHBondContact OG1-N 3.13Å; T651-K676 HydrophobicContact CG2-CB 4.48Å; T651-K676 HydrophobicContact CG2-CG 4.3Å
652S91.9Very high93.8Very high65 Ų6561.9 Ų61.946%0.45532%0.316SS..G310 helixtrans-65-22.3177.162.50000113.4N650 L654 S673 N674N650-S652 PolarHBondContact O-N 2.7Å; N650-S652 VanDerWaalsContact O-N 3.16Å; S652-L654 VanDerWaalsContact C-N 3.31Å; S652-S673 WeakPolarHBondContact CA-O 3.42Å; S652-S673 PolarHBondContact N-O 3.01Å; S652-S673 VanDerWaalsContact N-O 3.12Å; S652-N674 VanDerWaalsContact CB-OD1 3.27Å; S652-N674 WeakPolarHBondContact CB-OD1 3.49Å; S652-N674 PolarHBondContact N-OD1 2.92Å; S652-N674 PolarHBondContact OG-OD1 3.42Å
653R90.8Very high94.1Very high99 Ų9959.6 Ų59.637%0.37430%0.296SS..G310 helixtrans-89.57.4175.1-57.3-175.777-133.67.9112.6N650 T651 V711 L712 L830 S831N650-R653 PolarHBondContact O-N 2.68Å; T651-R653 PolarHBondContact O-N 3.43Å; R653-V711 WeakPolarHBondContact O-CG1 3.37Å; R653-L712 PolarHBondContact O-N 3.44Å; R653-L830 PolarHBondContact NH1-O 3.48Å; R653-S831 WeakPolarHBondContact CD-O 3.27Å; R653-S831 PolarHBondContact NH1-O 2.97Å
654L94.3Very high94.3Very high21 Ų2156.4 Ų56.411%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-106.8127.2179.3-58-176.9000111.7T651 S652 I657 Y709 Q710 V711 V833T651-L654 WeakPolarHBondContact O-CB 3.38Å; T651-L654 PolarHBondContact O-N 2.86Å; S652-L654 VanDerWaalsContact C-N 3.31Å; L654-I657 HydrophobicContact CB-CD1 4.43Å; L654-I657 HydrophobicContact CB-CG1 4.12Å; L654-I657 HydrophobicContact CD1-CD1 3.8Å; L654-I657 HydrophobicContact CD1-CG1 3.72Å; L654-Y709 HydrophobicContact CD1-CD2 4.42Å; L654-Y709 HydrophobicContact CD1-CG 4.35Å; L654-Y709 HydrophobicContact CD2-CD2 3.6Å; L654-Y709 HydrophobicContact CD2-CE2 4.38Å; L654-Y709 HydrophobicContact CD2-CG 4.26Å; L654-Q710 CarbonylContact C-O 3.58Å; L654-Q710 WeakPolarHBondContact CA-O 3.48Å; L654-V711 HydrophobicContact CD2-CB 4.43Å; L654-V711 HydrophobicContact CD2-CG1 4.47Å; L654-V711 HydrophobicContact CD2-CG2 4.11Å; L654-V833 HydrophobicContact CD1-CG2 3.7Å; L654-V833 HydrophobicContact CD2-CG2 3.81Å; L654-V833 HydrophobicContact CG-CG2 3.95Å
655E93.8Very high94.2Very high118 Ų11862.9 Ų62.955%0.55130%0.302SS*.EExtended strand (participates in β ladder)trans-76.4-37.7173.3-174.2-169.2157.800111.1Q710E655-Q710 HydrophobicContact CB-CG 4.45Å; E655-Q710 PolarHBondContact N-O 2.86Å; E655-Q710 PolarHBondContact OE1-NE2 2.89Å; E655-Q710 PolarHBondContact OE2-NE2 2.99Å
656Q94.1Very high93.9Very high100 Ų10064.8 Ų64.847%0.46732%0.316SS..EExtended strand (participates in β ladder)trans-145.7141.5-178.3-164.5179.916.300111.4M658 Y709 Q710Q656-M658 HydrophobicContact CG-CG 4.29Å; Q656-Y709 CarbonylContact O-C 3.54Å; Q656-Y709 WeakPolarHBondContact O-CA 3.5Å; Q656-Y709 WeakPolarHBondContact O-CB 3.45Å; Q656-Q710 HydrophobicContact CB-CB 4.13Å; Q656-Q710 PolarHBondContact N-O 3.41Å; Q656-Q710 PolarHBondContact O-N 3.29Å
657I94.9Very high93.4Very high40 Ų4068.2 Ų68.221%0.20533%0.334CS..EExtended strand (participates in β ladder)trans-128.9127.9173.6-51.2174.6000108.2L648 T651 L654 K676 L707L648-I657 HydrophobicContact CD2-CD1 4.34Å; T651-I657 HydrophobicContact CG2-CD1 3.98Å; L654-I657 HydrophobicContact CB-CD1 4.43Å; L654-I657 HydrophobicContact CB-CG1 4.12Å; L654-I657 HydrophobicContact CD1-CD1 3.8Å; L654-I657 HydrophobicContact CD1-CG1 3.72Å; I657-K676 HydrophobicContact CD1-CD 4.19Å; I657-L707 HydrophobicContact CG2-CD2 4.44Å
658M95.5Very high92.6Very high112 Ų11272.2 Ų72.255%0.55237%0.365SS*.EExtended strand (participates in β ladder)trans-121.990.3-179-63.8-178.770.100109.5Q656 L707 K708Q656-M658 HydrophobicContact CG-CG 4.29Å; M658-L707 WeakPolarHBondContact O-CA 3.32Å; M658-K708 PolarHBondContact N-O 2.9Å; M658-K708 PolarHBondContact O-N 2.96Å
659P95.6Very high91.8Very high36 Ų3676.7 Ų76.723%0.23440%0.396CS..EExtended strand (participates in β ladder)trans-74.4151.9177.130.9-34.5000112.3Q661 L664 F678P659-Q661 PolarHBondContact O-N 3.21Å; P659-L664 HydrophobicContact CB-CD1 3.85Å; P659-F678 HydrophobicContact CB-CD1 4.43Å; P659-F678 HydrophobicContact CB-CE1 3.78Å; P659-F678 HydrophobicContact CG-CE1 4.19Å
660N95Very high91Very high45 Ų4575.4 Ų75.424%0.24139%0.391CS..  trans-73.689.1172.6-173.2-17.5000110.5Q662 L663 L664 E705 I706N660-Q662 PolarHBondContact O-N 3.19Å; N660-Q662 PolarHBondContact OD1-N 3.16Å; N660-L663 WeakPolarHBondContact ND2-CD1 3.38Å; N660-L663 PolarHBondContact O-N 2.84Å; N660-L664 PolarHBondContact O-N 2.73Å; N660-E705 PolarHBondContact ND2-O 3.19Å; N660-I706 WeakPolarHBondContact CB-O 3.43Å; N660-I706 PolarHBondContact N-O 2.66Å
661Q92.6Very high90.2Very high171 Ų17178.5 Ų78.580%0.79942%0.417SS*.THydrogen-bonded Turntrans-59.5-13.2-176.2-65.4177.2-12.400115P659P659-Q661 PolarHBondContact O-N 3.21Å
662Q92.8Very high89.7Confident157 Ų15781.3 Ų81.373%0.73443%0.432SS*.THydrogen-bonded Turntrans-81.3-24.5173.1-62.4-176.6-4.300112.6N660 A684N660-Q662 PolarHBondContact O-N 3.19Å; N660-Q662 PolarHBondContact OD1-N 3.16Å; Q662-A684 WeakPolarHBondContact O-CB 3.36Å
663L94.9Very high89.2Confident5 Ų582.6 Ų82.63%0.02644%0.441CS..THydrogen-bonded Turntrans-113.8-22.3-174.4-59.4-175.1000113.3N660 F680 N681 A684 V704N660-L663 WeakPolarHBondContact ND2-CD1 3.38Å; N660-L663 PolarHBondContact O-N 2.84Å; L663-F680 HydrophobicContact CB-CD1 4.34Å; L663-F680 HydrophobicContact CB-CE1 4.3Å; L663-F680 CarbonylContact O-C 3.57Å; L663-F680 WeakPolarHBondContact O-CA 3.37Å; L663-F680 WeakPolarHBondContact O-CD1 3.49Å; L663-N681 PolarHBondContact O-N 3.5Å; L663-A684 HydrophobicContact CD2-CB 3.95Å; L663-V704 HydrophobicContact CD1-CG1 3.36Å
664L95.8Very high89.2Confident10 Ų1080.6 Ų80.65%0.05244%0.438CS..EExtended strand (participates in β ladder)trans-118.5139.9-174.7-61.1-178.8000113F646 P659 N660 F678 F680 I706F646-L664 HydrophobicContact CE1-CD2 3.88Å; F646-L664 HydrophobicContact CZ-CD1 4.29Å; F646-L664 HydrophobicContact CZ-CD2 4.44Å; P659-L664 HydrophobicContact CB-CD1 3.85Å; N660-L664 PolarHBondContact O-N 2.73Å; L664-F678 HydrophobicContact CB-CD1 4.48Å; L664-F678 HydrophobicContact CD1-CD1 3.98Å; L664-F678 HydrophobicContact CD1-CG 4.47Å; L664-F678 HydrophobicContact CD2-CB 4.5Å; L664-F680 HydrophobicContact CD2-CD1 3.93Å; L664-F680 HydrophobicContact CD2-CD2 3.82Å; L664-F680 HydrophobicContact CD2-CE1 3.73Å; L664-F680 HydrophobicContact CD2-CE2 3.64Å; L664-F680 HydrophobicContact CD2-CG 3.98Å; L664-F680 HydrophobicContact CD2-CZ 3.58Å; L664-I706 HydrophobicContact CD1-CG2 3.77Å; L664-I706 WeakPolarHBondContact CD1-O 3.46Å; L664-I706 HydrophobicContact CD2-CG2 4.27Å; L664-I706 HydrophobicContact CG-CG2 4.42Å
665Y93Very high89.1Confident137 Ų13780.1 Ų80.154%0.53744%0.436SS..EExtended strand (participates in β ladder)trans-99.9150.7154.7-57.7-67.3000109.8F678 W679 N681Y665-F678 WeakPolarHBondContact O-CA 3.26Å; Y665-W679 PolarHBondContact N-O 3.25Å; Y665-W679 PolarHBondContact O-N 2.99Å; Y665-N681 HydrophobicContact CD2-CB 4.4Å; Y665-N681 HydrophobicContact CE2-CB 3.65Å; Y665-N681 PolarHBondContact OH-ND2 3.37Å; Y665-N681 VanDerWaalsContact OH-ND2 3.16Å
666S90.8Very high89.1Confident60 Ų6078.5 Ų78.542%0.4243%0.427SS..EExtended strand (participates in β ladder)trans-144.7146.5175.5600000109P668S666-P668 VanDerWaalsContact O-CD 3.3Å; S666-P668 WeakPolarHBondContact O-CD 3.21Å
667D84.4Confident89.1Confident71 Ų7174.9 Ų74.938%0.3841%0.411SS..  trans-82.8115.1-177.6-177.3-3.6000110.8S669 Q670 W679D667-S669 VanDerWaalsContact CG-OG 3.27Å; D667-S669 PolarHBondContact O-N 2.88Å; D667-S669 WeakPolarHBondContact OD1-CA 3.48Å; D667-S669 WeakPolarHBondContact OD1-CB 3.43Å; D667-S669 PolarHBondContact OD1-N 3.37Å; D667-S669 PolarHBondContact OD1-OG 3.04Å; D667-S669 PolarHBondContact OD2-OG 3.3Å; D667-Q670 HydrophobicContact CB-CB 4.28Å; D667-Q670 PolarHBondContact O-N 3.43Å; D667-W679 HydrophobicContact CB-CH2 3.98Å; D667-W679 HydrophobicContact CB-CZ3 3.97Å
668P78.7Confident89.1Confident132 Ų13273.2 Ų73.286%0.85740%0.402SS*.THydrogen-bonded Turntrans-71.5-14.5177.8-1531.8000113.7S666S666-P668 VanDerWaalsContact O-CD 3.3Å; S666-P668 WeakPolarHBondContact O-CD 3.21Å
669S78.3Confident89.1Confident93 Ų9372.3 Ų72.365%0.6539%0.393SS*.THydrogen-bonded Turntrans-88.5-8.6178.7760000113.6D667 S671D667-S669 VanDerWaalsContact CG-OG 3.27Å; D667-S669 PolarHBondContact O-N 2.88Å; D667-S669 WeakPolarHBondContact OD1-CA 3.48Å; D667-S669 WeakPolarHBondContact OD1-CB 3.43Å; D667-S669 PolarHBondContact OD1-N 3.37Å; D667-S669 PolarHBondContact OD1-OG 3.04Å; D667-S669 PolarHBondContact OD2-OG 3.3Å; S669-S671 PolarHBondContact O-N 3Å
670Q79.3Confident89.1Confident47 Ų4770.8 Ų70.822%0.2238%0.382CS..  trans-66.1114.1177.5-177.8165.429.300111.6D667 D672 D677D667-Q670 HydrophobicContact CB-CB 4.28Å; D667-Q670 PolarHBondContact O-N 3.43Å; Q670-D672 HydrophobicContact CG-CB 4.29Å; Q670-D677 PolarHBondContact NE2-OD2 3.45Å
671S74.6Confident89.1Confident121 Ų12170.3 Ų70.385%0.84638%0.38SS*.  trans-98.92.6-177.255.20000114.8S669 S673S669-S671 PolarHBondContact O-N 3Å; S671-S673 PolarHBondContact O-N 3.27Å
672D82.8Confident89.1Confident68 Ų6863 Ų6336%0.36435%0.346SS..  trans-65.9123172-177.4-1.7000110.1Q670 N674 S675Q670-D672 HydrophobicContact CG-CB 4.29Å; D672-N674 PolarHBondContact OD1-N 3.4Å; D672-S675 VanDerWaalsContact CG-N 3.31Å; D672-S675 PolarHBondContact OD1-N 3.33Å; D672-S675 VanDerWaalsContact OD1-N 3.17Å; D672-S675 WeakPolarHBondContact OD2-CB 3.22Å; D672-S675 PolarHBondContact OD2-N 3.47Å; D672-S675 PolarHBondContact OD2-OG 3.18Å
673S81.3Confident89.1Confident92 Ų9263.2 Ų63.264%0.64335%0.347SS*.SBendtrans-79.6-22.2178.958.80000112.9T651 S652 S671T651-S673 CarbonylContact C-O 3.5Å; T651-S673 PolarHBondContact OG1-O 3.07Å; S652-S673 WeakPolarHBondContact CA-O 3.42Å; S652-S673 PolarHBondContact N-O 3.01Å; S652-S673 VanDerWaalsContact N-O 3.12Å; S671-S673 PolarHBondContact O-N 3.27Å
674N90.8Very high89.1Confident57 Ų5764.2 Ų64.231%0.30536%0.356SS..SBendtrans-110.7-11.2-172.4-158.655.5000115.1K649 N650 T651 S652 D672K649-N674 CarbonylContact C-O 3.59Å; N650-N674 WeakPolarHBondContact CA-OD1 3.41Å; N650-N674 PolarHBondContact N-O 3.2Å; N650-N674 PolarHBondContact OD1-ND2 3.12Å; T651-N674 PolarHBondContact N-O 2.95Å; T651-N674 VanDerWaalsContact N-O 3.11Å; T651-N674 VanDerWaalsContact OG1-CA 3.32Å; T651-N674 WeakPolarHBondContact OG1-CA 3.24Å; T651-N674 PolarHBondContact OG1-O 3.41Å; S652-N674 VanDerWaalsContact CB-OD1 3.27Å; S652-N674 WeakPolarHBondContact CB-OD1 3.49Å; S652-N674 PolarHBondContact N-OD1 2.92Å; S652-N674 PolarHBondContact OG-OD1 3.42Å; D672-N674 PolarHBondContact OD1-N 3.4Å
675S92.4Very high89.1Confident10 Ų1063.8 Ų63.87%0.0735%0.354CS..EExtended strand (participates in β ladder)trans-137.9152.3166.586.40000113.9K647 L648 T651 D672K647-S675 PolarHBondContact NZ-OG 3.05Å; L648-S675 CarbonylContact O-C 3.59Å; L648-S675 WeakPolarHBondContact O-CA 3.33Å; L648-S675 WeakPolarHBondContact O-CB 3.47Å; T651-S675 PolarHBondContact OG1-N 3.13Å; D672-S675 VanDerWaalsContact CG-N 3.31Å; D672-S675 PolarHBondContact OD1-N 3.33Å; D672-S675 VanDerWaalsContact OD1-N 3.17Å; D672-S675 WeakPolarHBondContact OD2-CB 3.22Å; D672-S675 PolarHBondContact OD2-N 3.47Å; D672-S675 PolarHBondContact OD2-OG 3.18Å
676K92.9Very high89.1Confident84 Ų8458 Ų5837%0.36533%0.333SS..EExtended strand (participates in β ladder)trans-135.7135173.6-67.2-165.5178.6-167.70112K647 L648 T651 I657 F678K647-K676 CarbonylContact C-O 3.55Å; K647-K676 WeakPolarHBondContact CA-O 3.43Å; L648-K676 PolarHBondContact N-O 3.19Å; L648-K676 PolarHBondContact O-N 2.88Å; T651-K676 HydrophobicContact CG2-CB 4.48Å; T651-K676 HydrophobicContact CG2-CG 4.3Å; I657-K676 HydrophobicContact CD1-CD 4.19Å; K676-F678 HydrophobicContact CB-CE2 3.8Å; K676-F678 HydrophobicContact CB-CZ 4.25Å
677D94.1Very high89.2Confident25 Ų2558.8 Ų58.813%0.13434%0.338CS..EExtended strand (participates in β ladder)trans-96.3139.6-179.5-68-80000111.7K647 Q670 W679K647-D677 WeakPolarHBondContact CB-OD1 3.38Å; K647-D677 WeakPolarHBondContact CE-OD1 3.49Å; K647-D677 WeakPolarHBondContact CE-OD2 3.23Å; K647-D677 IonicContact NZ-OD1 2.95Å; K647-D677 PolarHBondContact NZ-OD1 3.16Å; K647-D677 IonicContact NZ-OD2 2.56Å; K647-D677 PolarHBondContact NZ-OD2 2.93Å; Q670-D677 PolarHBondContact NE2-OD2 3.45Å; D677-W679 HydrophobicContact CB-CH2 3.62Å; D677-W679 HydrophobicContact CB-CZ2 3.89Å; D677-W679 HydrophobicContact CB-CZ3 4.19Å; D677-W679 WeakPolarHBondContact O-CZ3 3.28Å
678F95.8Very high89.7Confident4 Ų460.2 Ų60.22%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-137136.8-177.3-65.8-84.9000110.8T645 F646 L648 P659 L664 Y665 K676 L707T645-F678 WeakPolarHBondContact CA-O 3.34Å; F646-F678 HydrophobicContact CD1-CB 4.01Å; F646-F678 HydrophobicContact CD2-CB 4.32Å; F646-F678 HydrophobicContact CD2-CD2 4.17Å; F646-F678 HydrophobicContact CE1-CB 3.55Å; F646-F678 HydrophobicContact CE1-CG 4.3Å; F646-F678 HydrophobicContact CE2-CB 3.9Å; F646-F678 AromaticContact CE2-CD2 3.48Å; F646-F678 HydrophobicContact CE2-CD2 3.48Å; F646-F678 VanDerWaalsContact CE2-CD2 3.48Å; F646-F678 HydrophobicContact CE2-CE2 4.29Å; F646-F678 AromaticContact CE2-CG 3.95Å; F646-F678 HydrophobicContact CE2-CG 3.95Å; F646-F678 HydrophobicContact CG-CB 4.38Å; F646-F678 HydrophobicContact CZ-CB 3.5Å; F646-F678 AromaticContact CZ-CD2 3.75Å; F646-F678 HydrophobicContact CZ-CD2 3.75Å; F646-F678 AromaticContact CZ-CG 3.73Å; F646-F678 HydrophobicContact CZ-CG 3.73Å; F646-F678 PolarHBondContact N-O 3.4Å; F646-F678 PolarHBondContact O-N 3.11Å; L648-F678 HydrophobicContact CB-CD2 4.32Å; L648-F678 HydrophobicContact CB-CE2 3.97Å; L648-F678 HydrophobicContact CD2-CE2 4.21Å; P659-F678 HydrophobicContact CB-CD1 4.43Å; P659-F678 HydrophobicContact CB-CE1 3.78Å; P659-F678 HydrophobicContact CG-CE1 4.19Å; L664-F678 HydrophobicContact CB-CD1 4.48Å; L664-F678 HydrophobicContact CD1-CD1 3.98Å; L664-F678 HydrophobicContact CD1-CG 4.47Å; L664-F678 HydrophobicContact CD2-CB 4.5Å; Y665-F678 WeakPolarHBondContact O-CA 3.26Å; K676-F678 HydrophobicContact CB-CE2 3.8Å; K676-F678 HydrophobicContact CB-CZ 4.25Å; F678-L707 HydrophobicContact CE2-CD2 4.25Å; F678-L707 HydrophobicContact CZ-CD2 4.34Å
679W95.3Very high90.4Very high93 Ų9354 Ų5435%0.35230%0.298SS..EExtended strand (participates in β ladder)trans-121.9135.6178.5-54.8-99.5000109.8V643 T645 Y665 D667 D677V643-W679 HydrophobicContact CG1-CB 4.26Å; T645-W679 HydrophobicContact CG2-CD2 4.45Å; T645-W679 HydrophobicContact CG2-CG 3.99Å; Y665-W679 PolarHBondContact N-O 3.25Å; Y665-W679 PolarHBondContact O-N 2.99Å; D667-W679 HydrophobicContact CB-CH2 3.98Å; D667-W679 HydrophobicContact CB-CZ3 3.97Å; D677-W679 HydrophobicContact CB-CH2 3.62Å; D677-W679 HydrophobicContact CB-CZ2 3.89Å; D677-W679 HydrophobicContact CB-CZ3 4.19Å; D677-W679 WeakPolarHBondContact O-CZ3 3.28Å
680F96.3Very high91.1Very high4 Ų455.2 Ų55.22%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-78.6136.7178.6-85.6-95000112.9L625 L644 F646 L663 L664 M682 L685 I706L625-F680 HydrophobicContact CD1-CE2 3.89Å; L625-F680 HydrophobicContact CD1-CZ 3.74Å; L644-F680 HydrophobicContact CB-CB 4.16Å; L644-F680 HydrophobicContact CB-CD2 3.85Å; L644-F680 HydrophobicContact CB-CG 4.23Å; L644-F680 HydrophobicContact CD2-CD2 3.6Å; L644-F680 HydrophobicContact CD2-CE2 3.6Å; L644-F680 HydrophobicContact CD2-CG 4.2Å; L644-F680 HydrophobicContact CD2-CZ 4.23Å; L644-F680 HydrophobicContact CG-CD2 3.51Å; L644-F680 HydrophobicContact CG-CE2 3.84Å; L644-F680 HydrophobicContact CG-CG 4.3Å; L644-F680 WeakPolarHBondContact O-CD2 3.14Å; L644-F680 PolarHBondContact O-N 2.87Å; F646-F680 HydrophobicContact CD1-CD2 4.43Å; F646-F680 AromaticContact CD1-CE2 3.84Å; F646-F680 HydrophobicContact CD1-CE2 3.84Å; F646-F680 HydrophobicContact CE1-CD2 4.38Å; F646-F680 AromaticContact CE1-CE2 3.63Å; F646-F680 HydrophobicContact CE1-CE2 3.63Å; F646-F680 HydrophobicContact CE1-CZ 4.3Å; L663-F680 HydrophobicContact CB-CD1 4.34Å; L663-F680 HydrophobicContact CB-CE1 4.3Å; L663-F680 CarbonylContact O-C 3.57Å; L663-F680 WeakPolarHBondContact O-CA 3.37Å; L663-F680 WeakPolarHBondContact O-CD1 3.49Å; L664-F680 HydrophobicContact CD2-CD1 3.93Å; L664-F680 HydrophobicContact CD2-CD2 3.82Å; L664-F680 HydrophobicContact CD2-CE1 3.73Å; L664-F680 HydrophobicContact CD2-CE2 3.64Å; L664-F680 HydrophobicContact CD2-CG 3.98Å; L664-F680 HydrophobicContact CD2-CZ 3.58Å; F680-M682 VanDerWaalsContact C-N 3.33Å; F680-M682 HydrophobicContact CB-SD 3.85Å; F680-M682 PolarHBondContact O-N 3.37Å; F680-L685 HydrophobicContact CB-CD2 4.44Å; F680-L685 HydrophobicContact CD1-CB 4.35Å; F680-L685 HydrophobicContact CD1-CD1 4.29Å; F680-L685 HydrophobicContact CD1-CD2 3.86Å; F680-L685 HydrophobicContact CD1-CG 4.4Å; F680-L685 HydrophobicContact CE1-CD1 4.3Å; F680-L685 HydrophobicContact CE1-CD2 4.43Å; F680-L685 HydrophobicContact CG-CD2 4.26Å; F680-I706 HydrophobicContact CE1-CD1 3.82Å; F680-I706 HydrophobicContact CZ-CD1 3.61Å; F680-I706 HydrophobicContact CZ-CG1 4.22Å; F680-I706 HydrophobicContact CZ-CG2 4.12Å
681N94.7Very high91.8Very high36 Ų3658.9 Ų58.919%0.19330%0.304CS..  trans-69.394.3156.8-177.6-24.3000108.5L663 Y665 Q683 A684 L685L663-N681 PolarHBondContact O-N 3.5Å; Y665-N681 HydrophobicContact CD2-CB 4.4Å; Y665-N681 HydrophobicContact CE2-CB 3.65Å; Y665-N681 PolarHBondContact OH-ND2 3.37Å; Y665-N681 VanDerWaalsContact OH-ND2 3.16Å; N681-Q683 PolarHBondContact O-N 3.49Å; N681-Q683 WeakPolarHBondContact OD1-CB 3.4Å; N681-Q683 PolarHBondContact OD1-N 3.44Å; N681-Q683 VanDerWaalsContact OD1-N 3.1Å; N681-A684 HydrophobicContact CB-CB 3.96Å; N681-A684 PolarHBondContact O-N 3.43Å; N681-A684 PolarHBondContact OD1-N 3.02Å; N681-L685 WeakPolarHBondContact O-CB 3.41Å; N681-L685 PolarHBondContact O-N 2.91Å
682M93.4Very high92.6Very high18 Ų1853.9 Ų53.99%0.08927%0.27CS..Hα-helixtrans-60-29-177.4-62.9-53.2-59.700113.3F635 P641 V643 L644 F680 L685 T686 Y842F635-M682 HydrophobicContact CD1-CE 4.34Å; F635-M682 HydrophobicContact CD2-CE 4.47Å; F635-M682 HydrophobicContact CE1-CE 3.78Å; F635-M682 HydrophobicContact CE2-CE 3.94Å; F635-M682 HydrophobicContact CZ-CE 3.56Å; P641-M682 HydrophobicContact CB-CE 4.45Å; P641-M682 HydrophobicContact CG-CB 4.29Å; P641-M682 HydrophobicContact CG-CE 4.15Å; V643-M682 HydrophobicContact CG2-CG 4.37Å; L644-M682 HydrophobicContact CB-SD 4.03Å; L644-M682 PolarHBondContact N-SD 3.27Å; L644-M682 VanDerWaalsContact N-SD 3.43Å; F680-M682 VanDerWaalsContact C-N 3.33Å; F680-M682 HydrophobicContact CB-SD 3.85Å; F680-M682 PolarHBondContact O-N 3.37Å; M682-L685 HydrophobicContact CE-CD2 4.14Å; M682-L685 HydrophobicContact SD-CD2 4.27Å; M682-T686 VanDerWaalsContact O-CB 3.26Å; M682-T686 WeakPolarHBondContact O-CB 3.48Å; M682-T686 PolarHBondContact O-N 3.35Å; M682-T686 PolarHBondContact O-OG1 2.94Å; M682-Y842 WeakPolarHBondContact CE-OH 3.25Å
683Q92Very high93Very high160 Ų16051.9 Ų51.975%0.74826%0.261SS*.Hα-helixtrans-72.2-44177.3-61.2179.8-3.200111.3N681 S687N681-Q683 PolarHBondContact O-N 3.49Å; N681-Q683 WeakPolarHBondContact OD1-CB 3.4Å; N681-Q683 PolarHBondContact OD1-N 3.44Å; N681-Q683 VanDerWaalsContact OD1-N 3.1Å; Q683-S687 WeakPolarHBondContact O-CB 3.38Å; Q683-S687 PolarHBondContact O-N 3.35Å; Q683-S687 PolarHBondContact O-OG 3.33Å
684A94.6Very high93.5Very high27 Ų2753.5 Ų53.522%0.22326%0.259CS..Hα-helixtrans-66.3-43.5175.400000111.6Q662 L663 N681 S687 Y688Q662-A684 WeakPolarHBondContact O-CB 3.36Å; L663-A684 HydrophobicContact CD2-CB 3.95Å; N681-A684 HydrophobicContact CB-CB 3.96Å; N681-A684 PolarHBondContact O-N 3.43Å; N681-A684 PolarHBondContact OD1-N 3.02Å; A684-S687 PolarHBondContact O-N 3.36Å; A684-Y688 WeakPolarHBondContact O-CB 3.45Å; A684-Y688 PolarHBondContact O-N 2.9Å
685L94.9Very high93.6Very high0 Ų057.9 Ų57.90%028%0.277CS..Hα-helixtrans-59.9-46.6175.2179.563.4000111.8F627 F635 F680 N681 M682 S687 Y688 L689F627-L685 HydrophobicContact CE1-CD1 4.45Å; F627-L685 HydrophobicContact CE1-CD2 3.94Å; F627-L685 HydrophobicContact CE2-CD1 4.08Å; F627-L685 HydrophobicContact CZ-CD1 3.93Å; F627-L685 HydrophobicContact CZ-CD2 3.96Å; F635-L685 HydrophobicContact CE2-CD2 4.04Å; F635-L685 HydrophobicContact CE2-CG 4.41Å; F680-L685 HydrophobicContact CB-CD2 4.44Å; F680-L685 HydrophobicContact CD1-CB 4.35Å; F680-L685 HydrophobicContact CD1-CD1 4.29Å; F680-L685 HydrophobicContact CD1-CD2 3.86Å; F680-L685 HydrophobicContact CD1-CG 4.4Å; F680-L685 HydrophobicContact CE1-CD1 4.3Å; F680-L685 HydrophobicContact CE1-CD2 4.43Å; F680-L685 HydrophobicContact CG-CD2 4.26Å; N681-L685 WeakPolarHBondContact O-CB 3.41Å; N681-L685 PolarHBondContact O-N 2.91Å; M682-L685 HydrophobicContact CE-CD2 4.14Å; M682-L685 HydrophobicContact SD-CD2 4.27Å; L685-S687 VanDerWaalsContact C-N 3.3Å; L685-S687 PolarHBondContact O-N 3.48Å; L685-Y688 PolarHBondContact O-N 2.88Å; L685-L689 HydrophobicContact CD1-CD1 3.97Å; L685-L689 HydrophobicContact CD1-CG 4.1Å; L685-L689 HydrophobicContact CG-CD1 3.96Å; L685-L689 HydrophobicContact CG-CG 4.46Å; L685-L689 WeakPolarHBondContact O-CB 3.31Å; L685-L689 WeakPolarHBondContact O-CG 3.24Å; L685-L689 PolarHBondContact O-N 3.32Å
686T93.3Very high93.6Very high17 Ų1761.2 Ų61.210%0.10430%0.295CS..Hα-helixtrans-62.5-39.1177.6-57.60000111.7F635 T636 M682 R690F635-T686 HydrophobicContact CB-CG2 3.82Å; F635-T686 WeakPolarHBondContact CB-OG1 3.31Å; T636-T686 HydrophobicContact CG2-CG2 4.03Å; M682-T686 VanDerWaalsContact O-CB 3.26Å; M682-T686 WeakPolarHBondContact O-CB 3.48Å; M682-T686 PolarHBondContact O-N 3.35Å; M682-T686 PolarHBondContact O-OG1 2.94Å; T686-R690 VanDerWaalsContact O-CB 3.32Å; T686-R690 WeakPolarHBondContact O-CB 3.42Å; T686-R690 PolarHBondContact O-N 3.01Å
687S93.4Very high93.4Very high75 Ų7561.3 Ų61.352%0.52430%0.304SS..Hα-helixtrans-68-40.6176.7-56.60000112.2Q683 A684 L685 K691Q683-S687 WeakPolarHBondContact O-CB 3.38Å; Q683-S687 PolarHBondContact O-N 3.35Å; Q683-S687 PolarHBondContact O-OG 3.33Å; A684-S687 PolarHBondContact O-N 3.36Å; L685-S687 VanDerWaalsContact C-N 3.3Å; L685-S687 PolarHBondContact O-N 3.48Å; S687-K691 WeakPolarHBondContact O-CB 3.4Å; S687-K691 PolarHBondContact O-N 3Å; S687-K691 VanDerWaalsContact O-N 3.11Å
688Y94.6Very high93.1Very high102 Ų10265.4 Ų65.440%0.433%0.334SS..Hα-helixtrans-62.6-51174.9-175.6-80.8000111.4A684 L685 R690 K691 A692 V704A684-Y688 WeakPolarHBondContact O-CB 3.45Å; A684-Y688 PolarHBondContact O-N 2.9Å; L685-Y688 PolarHBondContact O-N 2.88Å; Y688-R690 PolarHBondContact O-N 2.88Å; Y688-K691 PolarHBondContact O-N 3.29Å; Y688-A692 WeakPolarHBondContact O-CB 3.41Å; Y688-A692 PolarHBondContact O-N 3.37Å; Y688-V704 HydrophobicContact CD1-CG1 4.2Å; Y688-V704 HydrophobicContact CD1-CG2 4.04Å; Y688-V704 HydrophobicContact CE1-CB 4.31Å; Y688-V704 HydrophobicContact CE1-CG1 3.95Å; Y688-V704 HydrophobicContact CE1-CG2 3.82Å
689L94.1Very high92.9Very high0 Ų066 Ų660%034%0.34CS..Hα-helixtrans-64.6-39.2-178.8-68.1173000111.9F627 I631 I632 F635 L685 A692 S693 V704F627-L689 HydrophobicContact CB-CD1 4.16Å; F627-L689 HydrophobicContact CB-CD2 3.89Å; F627-L689 HydrophobicContact CD1-CD1 4.12Å; F627-L689 HydrophobicContact CD2-CD2 4.08Å; F627-L689 HydrophobicContact CG-CD1 4.02Å; F627-L689 HydrophobicContact CG-CD2 4.08Å; I631-L689 HydrophobicContact CG2-CD1 4.27Å; I632-L689 HydrophobicContact CD1-CB 4.09Å; I632-L689 WeakPolarHBondContact CD1-O 3.39Å; I632-L689 HydrophobicContact CG1-CB 3.96Å; F635-L689 HydrophobicContact CD2-CD1 4.18Å; F635-L689 HydrophobicContact CE2-CD1 3.93Å; L685-L689 HydrophobicContact CD1-CD1 3.97Å; L685-L689 HydrophobicContact CD1-CG 4.1Å; L685-L689 HydrophobicContact CG-CD1 3.96Å; L685-L689 HydrophobicContact CG-CG 4.46Å; L685-L689 WeakPolarHBondContact O-CB 3.31Å; L685-L689 WeakPolarHBondContact O-CG 3.24Å; L685-L689 PolarHBondContact O-N 3.32Å; L689-A692 PolarHBondContact O-N 2.83Å; L689-S693 PolarHBondContact O-N 2.86Å; L689-S693 PolarHBondContact O-OG 3.15Å; L689-V704 HydrophobicContact CD2-CG2 3.92Å
690R92.5Very high92.7Very high119 Ų11965.3 Ų65.345%0.44935%0.349SS..Hα-helixtrans-56.8-53.4172.2-173.4-162.1-64.8-94.32.6110.8T686 Y688 A692 S693 E694T686-R690 VanDerWaalsContact O-CB 3.32Å; T686-R690 WeakPolarHBondContact O-CB 3.42Å; T686-R690 PolarHBondContact O-N 3.01Å; Y688-R690 PolarHBondContact O-N 2.88Å; R690-A692 VanDerWaalsContact C-N 3.29Å; R690-A692 PolarHBondContact O-N 3.07Å; R690-S693 PolarHBondContact O-N 3.35Å; R690-S693 PolarHBondContact O-OG 3.03Å; R690-E694 VanDerWaalsContact CD-OE1 3.32Å; R690-E694 WeakPolarHBondContact CD-OE1 3.47Å; R690-E694 VanDerWaalsContact CG-OE1 3.3Å; R690-E694 WeakPolarHBondContact CG-OE1 3.48Å; R690-E694 WeakPolarHBondContact O-CG 3.32Å; R690-E694 PolarHBondContact O-N 3.26Å
691K94.1Very high92.6Very high124 Ų12471.5 Ų71.554%0.53937%0.374SS..Hα-helixtrans-59.7-38178.7-174179.2179.2-178.50112.5S687 Y688 S693 E694 Q695S687-K691 WeakPolarHBondContact O-CB 3.4Å; S687-K691 PolarHBondContact O-N 3Å; S687-K691 VanDerWaalsContact O-N 3.11Å; Y688-K691 PolarHBondContact O-N 3.29Å; K691-S693 VanDerWaalsContact C-N 3.35Å; K691-E694 PolarHBondContact O-N 2.99Å; K691-Q695 WeakPolarHBondContact O-CB 3.45Å; K691-Q695 VanDerWaalsContact O-CG 3.31Å; K691-Q695 WeakPolarHBondContact O-CG 3.48Å; K691-Q695 PolarHBondContact O-N 3.39Å
692A91.8Very high92.7Very high17 Ų1770.4 Ų70.414%0.1437%0.367CS..Hα-helixtrans-64.6-38.6174.800000112Y688 L689 R690 Q695 N696 Y702Y688-A692 WeakPolarHBondContact O-CB 3.41Å; Y688-A692 PolarHBondContact O-N 3.37Å; L689-A692 PolarHBondContact O-N 2.83Å; R690-A692 VanDerWaalsContact C-N 3.29Å; R690-A692 PolarHBondContact O-N 3.07Å; A692-Q695 PolarHBondContact O-N 3.11Å; A692-N696 PolarHBondContact O-N 2.87Å; A692-Y702 HydrophobicContact CB-CD1 3.61Å; A692-Y702 HydrophobicContact CB-CE1 4.24Å; A692-Y702 HydrophobicContact CB-CG 4.2Å; A692-Y702 WeakPolarHBondContact O-CE1 3.31Å
693S91.8Very high92.8Very high25 Ų2573.5 Ų73.518%0.17538%0.384CS..Hα-helixtrans-72.1-30.4174.868.60000114.1L689 R690 K691 Q695 N696 P697 Y702L689-S693 PolarHBondContact O-N 2.86Å; L689-S693 PolarHBondContact O-OG 3.15Å; R690-S693 PolarHBondContact O-N 3.35Å; R690-S693 PolarHBondContact O-OG 3.03Å; K691-S693 VanDerWaalsContact C-N 3.35Å; S693-Q695 VanDerWaalsContact C-N 3.32Å; S693-N696 CarbonylContact O-C 3.46Å; S693-P697 VanDerWaalsContact O-CA 3.26Å; S693-P697 WeakPolarHBondContact O-CA 3.43Å; S693-P697 WeakPolarHBondContact O-CD 3.26Å; S693-P697 VanDerWaalsContact O-CG 3.31Å; S693-P697 WeakPolarHBondContact O-CG 3.45Å; S693-P697 VanDerWaalsContact O-N 3.15Å; S693-Y702 WeakPolarHBondContact CA-OH 3.23Å; S693-Y702 WeakPolarHBondContact CB-OH 3.25Å
694E91.8Very high93Very high127 Ų12766 Ų6659%0.59335%0.349SS*.Hα-helixtrans-68.2-34170.9-69.2161.9-178.200111.3R690 K691R690-E694 VanDerWaalsContact CD-OE1 3.32Å; R690-E694 WeakPolarHBondContact CD-OE1 3.47Å; R690-E694 VanDerWaalsContact CG-OE1 3.3Å; R690-E694 WeakPolarHBondContact CG-OE1 3.48Å; R690-E694 WeakPolarHBondContact O-CG 3.32Å; R690-E694 PolarHBondContact O-N 3.26Å; K691-E694 PolarHBondContact O-N 2.99Å
695Q92.6Very high93Very high148 Ų14868.9 Ų68.969%0.69236%0.358SS*.Hα-helixtrans-78.6-30.1177.2-73.4178.8-21.300113.9K691 A692 S693K691-Q695 WeakPolarHBondContact O-CB 3.45Å; K691-Q695 VanDerWaalsContact O-CG 3.31Å; K691-Q695 WeakPolarHBondContact O-CG 3.48Å; K691-Q695 PolarHBondContact O-N 3.39Å; A692-Q695 PolarHBondContact O-N 3.11Å; S693-Q695 VanDerWaalsContact C-N 3.32Å
696N90.9Very high93.1Very high81 Ų8168.9 Ų68.943%0.43336%0.358SS..  trans-145.677.4178.4-169.42.4000112.3A692 S693 S698 A699 Y702A692-N696 PolarHBondContact O-N 2.87Å; S693-N696 CarbonylContact O-C 3.46Å; N696-S698 PolarHBondContact O-N 3.09Å; N696-S698 VanDerWaalsContact O-N 3.15Å; N696-S698 PolarHBondContact OD1-OG 3.05Å; N696-A699 HydrophobicContact CB-CB 4.38Å; N696-A699 WeakPolarHBondContact O-CB 3.37Å; N696-A699 PolarHBondContact O-N 3.47Å; N696-A699 VanDerWaalsContact O-N 3.17Å; N696-Y702 PolarHBondContact O-OH 2.94Å; N696-Y702 VanDerWaalsContact O-OH 3.12Å
697P89.3Confident93.3Very high86 Ų8668.3 Ų68.356%0.55835%0.354SS*.THydrogen-bonded Turntrans-64.7-18.6-173.5-22.132.1000115.4M629 S693M629-P697 WeakPolarHBondContact CE-O 3.18Å; S693-P697 VanDerWaalsContact O-CA 3.26Å; S693-P697 WeakPolarHBondContact O-CA 3.43Å; S693-P697 WeakPolarHBondContact O-CD 3.26Å; S693-P697 VanDerWaalsContact O-CG 3.31Å; S693-P697 WeakPolarHBondContact O-CG 3.45Å; S693-P697 VanDerWaalsContact O-N 3.15Å
698S89.1Confident93.5Very high110 Ų11069.2 Ų69.277%0.76935%0.348SS*.THydrogen-bonded Turntrans-88.6-2.4179.556.70000113.7N696 S700N696-S698 PolarHBondContact O-N 3.09Å; N696-S698 VanDerWaalsContact O-N 3.15Å; N696-S698 PolarHBondContact OD1-OG 3.05Å; S698-S700 PolarHBondContact O-N 2.87Å
699A90.8Very high93.6Very high17 Ų1764.8 Ų64.814%0.1433%0.331CS..  trans-73.4121.3176.900000111.8N696 Y701 Y702N696-A699 HydrophobicContact CB-CB 4.38Å; N696-A699 WeakPolarHBondContact O-CB 3.37Å; N696-A699 PolarHBondContact O-N 3.47Å; N696-A699 VanDerWaalsContact O-N 3.17Å; A699-Y701 VanDerWaalsContact C-N 3.26Å; A699-Y701 PolarHBondContact O-N 3.03Å; A699-Y702 HydrophobicContact CB-CD1 4.34Å; A699-Y702 HydrophobicContact CB-CE1 3.73Å; A699-Y702 PolarHBondContact O-OH 3.05Å
700S91.3Very high93.7Very high78 Ų7866.1 Ų66.155%0.54534%0.337SS..SBendtrans-71.7-19.4175.954.80000113.5M629 S698M629-S700 PolarHBondContact N-O 3.41Å; S698-S700 PolarHBondContact O-N 2.87Å
701Y94.3Very high93.9Very high135 Ų13560.7 Ų60.753%0.52932%0.317SS..EExtended strand (participates in β ladder)trans-146.6152.1174.355.7-93.4000111.6F627 A699F627-Y701 CarbonylContact O-C 3.51Å; F627-Y701 VanDerWaalsContact O-CA 3.23Å; F627-Y701 WeakPolarHBondContact O-CA 3.49Å; A699-Y701 VanDerWaalsContact C-N 3.26Å; A699-Y701 PolarHBondContact O-N 3.03Å
702Y95.7Very high93.9Very high12 Ų1260 Ų605%0.04732%0.319CS..EExtended strand (participates in β ladder)trans-116.5127177.4-58.3-80.4000109.8S626 F627 M629 I632 A692 S693 N696 A699S626-Y702 WeakPolarHBondContact CA-O 3.32Å; F627-Y702 PolarHBondContact N-O 3.09Å; F627-Y702 PolarHBondContact O-N 2.93Å; M629-Y702 HydrophobicContact CB-CE2 3.99Å; M629-Y702 HydrophobicContact CG-CE2 4Å; I632-Y702 HydrophobicContact CD1-CD2 3.88Å; I632-Y702 HydrophobicContact CD1-CE2 3.68Å; A692-Y702 HydrophobicContact CB-CD1 3.61Å; A692-Y702 HydrophobicContact CB-CE1 4.24Å; A692-Y702 HydrophobicContact CB-CG 4.2Å; A692-Y702 WeakPolarHBondContact O-CE1 3.31Å; S693-Y702 WeakPolarHBondContact CA-OH 3.23Å; S693-Y702 WeakPolarHBondContact CB-OH 3.25Å; N696-Y702 PolarHBondContact O-OH 2.94Å; N696-Y702 VanDerWaalsContact O-OH 3.12Å; A699-Y702 HydrophobicContact CB-CD1 4.34Å; A699-Y702 HydrophobicContact CB-CE1 3.73Å; A699-Y702 PolarHBondContact O-OH 3.05Å
703N95.2Very high93.9Very high84 Ų8460.9 Ų60.945%0.44932%0.324SS..EExtended strand (participates in β ladder)trans-92.7138178.6-68.2-24.5000110.2T624 L625 S626T624-N703 HydrophobicContact CG2-CB 3.88Å; L625-N703 WeakPolarHBondContact O-CA 3.33Å; S626-N703 WeakPolarHBondContact CB-OD1 3.32Å; S626-N703 PolarHBondContact OG-OD1 3.35Å
704V96.6Very high93.8Very high1 Ų165.1 Ų65.11%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-130.2121.5-178.1-167.70000108.7T624 L625 F627 L663 Y688 L689 I706T624-V704 WeakPolarHBondContact CA-O 3.15Å; L625-V704 PolarHBondContact N-O 3.42Å; L625-V704 PolarHBondContact O-N 2.83Å; F627-V704 HydrophobicContact CD2-CB 4.48Å; F627-V704 HydrophobicContact CD2-CG2 3.65Å; F627-V704 HydrophobicContact CE2-CB 4.18Å; F627-V704 HydrophobicContact CE2-CG2 3.73Å; L663-V704 HydrophobicContact CD1-CG1 3.36Å; Y688-V704 HydrophobicContact CD1-CG1 4.2Å; Y688-V704 HydrophobicContact CD1-CG2 4.04Å; Y688-V704 HydrophobicContact CE1-CB 4.31Å; Y688-V704 HydrophobicContact CE1-CG1 3.95Å; Y688-V704 HydrophobicContact CE1-CG2 3.82Å; L689-V704 HydrophobicContact CD2-CG2 3.92Å; V704-I706 HydrophobicContact CB-CD1 3.85Å; V704-I706 HydrophobicContact CG1-CD1 3.71Å; V704-I706 WeakPolarHBondContact O-CD1 3.33Å; V704-I706 WeakPolarHBondContact O-CG1 3.17Å; V704-I706 PolarHBondContact O-N 3.42Å
705E95.9Very high93.8Very high89 Ų8960.1 Ų60.142%0.41633%0.327SS..EExtended strand (participates in β ladder)trans-71.1118.1172.6-67.8-172.4173.200109.5N660 K708N660-E705 PolarHBondContact ND2-O 3.19Å; E705-K708 IonicContact OE1-NZ 3.27Å; E705-K708 WeakPolarHBondContact OE2-CE 3.24Å; E705-K708 IonicContact OE2-NZ 2.73Å; E705-K708 PolarHBondContact OE2-NZ 3.22Å
706I96.9Very high93.8Very high0 Ų054.7 Ų54.70%030%0.302CS..EExtended strand (participates in β ladder)trans-99.9-48.4-169.8-58.9-45000111.7M623 L625 F646 N660 L664 F680 V704M623-I706 HydrophobicContact CE-CG2 4.32Å; M623-I706 HydrophobicContact CG-CB 4.47Å; M623-I706 WeakPolarHBondContact O-CB 3.49Å; M623-I706 PolarHBondContact O-N 3.31Å; M623-I706 HydrophobicContact SD-CG2 4.35Å; L625-I706 HydrophobicContact CB-CD1 4.18Å; L625-I706 HydrophobicContact CB-CG1 3.84Å; L625-I706 HydrophobicContact CD1-CD1 4.36Å; L625-I706 HydrophobicContact CD1-CG1 4Å; L625-I706 HydrophobicContact CG-CD1 4.47Å; L625-I706 HydrophobicContact CG-CG1 3.79Å; F646-I706 HydrophobicContact CE1-CG2 3.99Å; F646-I706 HydrophobicContact CZ-CG2 3.77Å; N660-I706 WeakPolarHBondContact CB-O 3.43Å; N660-I706 PolarHBondContact N-O 2.66Å; L664-I706 HydrophobicContact CD1-CG2 3.77Å; L664-I706 WeakPolarHBondContact CD1-O 3.46Å; L664-I706 HydrophobicContact CD2-CG2 4.27Å; L664-I706 HydrophobicContact CG-CG2 4.42Å; F680-I706 HydrophobicContact CE1-CD1 3.82Å; F680-I706 HydrophobicContact CZ-CD1 3.61Å; F680-I706 HydrophobicContact CZ-CG1 4.22Å; F680-I706 HydrophobicContact CZ-CG2 4.12Å; V704-I706 HydrophobicContact CB-CD1 3.85Å; V704-I706 HydrophobicContact CG1-CD1 3.71Å; V704-I706 WeakPolarHBondContact O-CD1 3.33Å; V704-I706 WeakPolarHBondContact O-CG1 3.17Å; V704-I706 PolarHBondContact O-N 3.42Å
707L96.1Very high93.9Very high4 Ų456.8 Ų56.82%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-153.8159.717556.578.3000111.4M623 F646 L648 I657 M658 F678 Y709M623-L707 HydrophobicContact CB-CD1 3.5Å; M623-L707 HydrophobicContact CB-CG 3.84Å; M623-L707 HydrophobicContact CG-CD1 4.38Å; M623-L707 HydrophobicContact CG-CG 4.39Å; M623-L707 PolarHBondContact N-O 3.2Å; M623-L707 PolarHBondContact O-N 3.35Å; M623-L707 HydrophobicContact SD-CD1 4Å; M623-L707 HydrophobicContact SD-CD2 3.87Å; M623-L707 HydrophobicContact SD-CG 3.74Å; F646-L707 HydrophobicContact CE2-CD2 4.36Å; F646-L707 HydrophobicContact CZ-CD2 4.36Å; L648-L707 HydrophobicContact CD1-CD2 4.3Å; L648-L707 HydrophobicContact CD2-CD2 3.86Å; I657-L707 HydrophobicContact CG2-CD2 4.44Å; M658-L707 WeakPolarHBondContact O-CA 3.32Å; F678-L707 HydrophobicContact CE2-CD2 4.25Å; F678-L707 HydrophobicContact CZ-CD2 4.34Å; L707-Y709 HydrophobicContact CD1-CD1 3.57Å; L707-Y709 HydrophobicContact CD1-CE1 4.06Å
708K97.5Very high94.1Very high94 Ų9453.4 Ų53.441%0.40929%0.288SS..EExtended strand (participates in β ladder)trans-124.5147.8171.7-71.1170.2-176.2163.60109.2G621 D622 M658 E705G621-K708 CarbonylContact O-C 3.6Å; G621-K708 WeakPolarHBondContact O-CA 3.46Å; D622-K708 HydrophobicContact CB-CG 4.22Å; M658-K708 PolarHBondContact N-O 2.9Å; M658-K708 PolarHBondContact O-N 2.96Å; E705-K708 IonicContact OE1-NZ 3.27Å; E705-K708 WeakPolarHBondContact OE2-CE 3.24Å; E705-K708 IonicContact OE2-NZ 2.73Å; E705-K708 PolarHBondContact OE2-NZ 3.22Å
709Y97.4Very high94.4Very high9 Ų948.2 Ų48.24%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-144.2155.5-174.252.5-83.4000112.6F599 E601 T620 G621 M623 L654 Q656 L707 V711 V833F599-Y709 HydrophobicContact CD1-CE1 4.5Å; E601-Y709 HydrophobicContact CG-CE2 4.09Å; E601-Y709 WeakPolarHBondContact CG-OH 3.34Å; E601-Y709 WeakPolarHBondContact OE1-CE2 3.44Å; T620-Y709 CarbonylContact C-O 3.46Å; T620-Y709 WeakPolarHBondContact CA-O 3.43Å; G621-Y709 PolarHBondContact N-O 2.9Å; G621-Y709 WeakPolarHBondContact O-CD1 3.44Å; G621-Y709 PolarHBondContact O-N 3.1Å; M623-Y709 HydrophobicContact CB-CE1 4.48Å; L654-Y709 HydrophobicContact CD1-CD2 4.42Å; L654-Y709 HydrophobicContact CD1-CG 4.35Å; L654-Y709 HydrophobicContact CD2-CD2 3.6Å; L654-Y709 HydrophobicContact CD2-CE2 4.38Å; L654-Y709 HydrophobicContact CD2-CG 4.26Å; Q656-Y709 CarbonylContact O-C 3.54Å; Q656-Y709 WeakPolarHBondContact O-CA 3.5Å; Q656-Y709 WeakPolarHBondContact O-CB 3.45Å; L707-Y709 HydrophobicContact CD1-CD1 3.57Å; L707-Y709 HydrophobicContact CD1-CE1 4.06Å; Y709-V711 HydrophobicContact CD2-CG2 4.22Å; Y709-V711 HydrophobicContact CE2-CG2 4.39Å; Y709-V833 HydrophobicContact CE2-CG2 4.45Å
710Q97.1Very high94.7Very high29 Ų2947.4 Ų47.414%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-117.5130.6171.3-176.3167.6-47.700108.3K618 L654 E655 Q656K618-Q710 VanDerWaalsContact NZ-CD 3.31Å; L654-Q710 CarbonylContact C-O 3.58Å; L654-Q710 WeakPolarHBondContact CA-O 3.48Å; E655-Q710 HydrophobicContact CB-CG 4.45Å; E655-Q710 PolarHBondContact N-O 2.86Å; E655-Q710 PolarHBondContact OE1-NE2 2.89Å; E655-Q710 PolarHBondContact OE2-NE2 2.99Å; Q656-Q710 HydrophobicContact CB-CB 4.13Å; Q656-Q710 PolarHBondContact N-O 3.41Å; Q656-Q710 PolarHBondContact O-N 3.29Å
711V96.2Very high94.9Very high4 Ų443.9 Ų43.92%0.02422%0.22CC..EExtended strand (participates in β ladder)trans-90.8137.9-176.7-164.90000108.9I619 R653 L654 Y709 S713I619-V711 HydrophobicContact CB-CB 3.98Å; I619-V711 HydrophobicContact CB-CG2 3.89Å; I619-V711 HydrophobicContact CG2-CB 4.21Å; I619-V711 HydrophobicContact CG2-CG2 3.58Å; I619-V711 PolarHBondContact O-N 3.26Å; R653-V711 WeakPolarHBondContact O-CG1 3.37Å; L654-V711 HydrophobicContact CD2-CB 4.43Å; L654-V711 HydrophobicContact CD2-CG1 4.47Å; L654-V711 HydrophobicContact CD2-CG2 4.11Å; Y709-V711 HydrophobicContact CD2-CG2 4.22Å; Y709-V711 HydrophobicContact CE2-CG2 4.39Å; V711-S713 PolarHBondContact O-N 3.47Å
712L93.9Very high95Very high110 Ų11039 Ų3958%0.57620%0.203SC*.  trans-68.4111.7172.5-178.567.3000109R653R653-L712 PolarHBondContact O-N 3.44Å
713S91.8Very high94.9Very high35 Ų3538.9 Ų38.925%0.24520%0.203CC..  trans-109.9120.3-17560.20000113.1V617 V711 G715 S718V617-S713 PolarHBondContact O-OG 3Å; V711-S713 PolarHBondContact O-N 3.47Å; S713-G715 PolarHBondContact O-N 2.78Å; S713-S718 WeakPolarHBondContact CA-OG 3.32Å
714D90.5Very high94.9Very high115 Ų11535.9 Ų35.962%0.61519%0.19SC*.  trans-90.378171.7-176.931.1000111.1I716 H717 S718D714-I716 PolarHBondContact O-N 2.72Å; D714-H717 WeakPolarHBondContact O-CB 3.34Å; D714-H717 PolarHBondContact O-N 3.01Å; D714-H717 IonicContact OD2-CD2 3.73Å; D714-S718 PolarHBondContact N-OG 2.93Å; D714-S718 PolarHBondContact O-N 3.28Å
715G90.5Very high94.7Very high22 Ų2235.9 Ų35.923%0.22719%0.19CC..G310 helixtrans42.1-131.5172.300000114.8V617 S713 H717 S718V617-G715 VanDerWaalsContact CG2-O 3.23Å; V617-G715 WeakPolarHBondContact CG2-O 3.47Å; S713-G715 PolarHBondContact O-N 2.78Å; G715-H717 PolarHBondContact O-N 2.67Å; G715-S718 PolarHBondContact O-N 2.91Å
716I92.4Very high94.6Very high33 Ų3336.7 Ų36.717%0.16919%0.19CC..G310 helixtrans-66.2-14.1-177-164160.5000114.7F607 P612 C615 D714 S718 T719 N722F607-I716 HydrophobicContact CD1-CD1 4.35Å; F607-I716 HydrophobicContact CE1-CD1 4.08Å; F607-I716 HydrophobicContact CE1-CG1 4.12Å; P612-I716 HydrophobicContact CB-CD1 3.93Å; P612-I716 HydrophobicContact CB-CG2 3.87Å; C615-I716 HydrophobicContact CB-CB 3.87Å; D714-I716 PolarHBondContact O-N 2.72Å; I716-S718 VanDerWaalsContact C-N 3.27Å; I716-T719 WeakPolarHBondContact CA-OG1 3.22Å; I716-T719 PolarHBondContact O-OG1 3.13Å; I716-N722 HydrophobicContact CD1-CB 4.29Å; I716-N722 HydrophobicContact CG1-CB 4.23Å; I716-N722 PolarHBondContact O-ND2 2.92Å; I716-N722 PolarHBondContact O-OD1 2.98Å; I716-N722 VanDerWaalsContact O-OD1 3.14Å
717H92.8Very high94.3Very high125 Ų12538 Ų3858%0.57920%0.195SC*.G310 helixtrans-75.4-22.6173.7-64-69.7000111.5D714 G715 N743D714-H717 WeakPolarHBondContact O-CB 3.34Å; D714-H717 PolarHBondContact O-N 3.01Å; D714-H717 IonicContact OD2-CD2 3.73Å; G715-H717 PolarHBondContact O-N 2.67Å; H717-N743 PolarHBondContact O-ND2 3.41Å
718S94.6Very high94.1Very high16 Ų1643.8 Ų43.811%0.11222%0.22CC..G310 helixtrans-91.75.8179.7-56.70000114.6S713 D714 G715 I716S713-S718 WeakPolarHBondContact CA-OG 3.32Å; D714-S718 PolarHBondContact N-OG 2.93Å; D714-S718 PolarHBondContact O-N 3.28Å; G715-S718 PolarHBondContact O-N 2.91Å; I716-S718 VanDerWaalsContact C-N 3.27Å
719T95.8Very high93.8Very high0 Ų041.3 Ų41.30%021%0.214CC..  trans-100.7124.7179.727.80000112.7A605 F607 V617 I716 L721 N722 N743 Y856A605-T719 HydrophobicContact CB-CG2 3.49Å; A605-T719 VanDerWaalsContact CB-CG2 3.49Å; F607-T719 HydrophobicContact CE1-CG2 4.47Å; F607-T719 HydrophobicContact CE2-CG2 4.26Å; F607-T719 HydrophobicContact CZ-CG2 3.65Å; V617-T719 HydrophobicContact CG1-CG2 4.48Å; V617-T719 HydrophobicContact CG2-CG2 3.62Å; I716-T719 WeakPolarHBondContact CA-OG1 3.22Å; I716-T719 PolarHBondContact O-OG1 3.13Å; T719-L721 VanDerWaalsContact C-N 3.27Å; T719-L721 PolarHBondContact O-N 3.03Å; T719-N722 WeakPolarHBondContact CB-OD1 3.35Å; T719-N722 PolarHBondContact O-OD1 2.96Å; T719-N722 VanDerWaalsContact O-OD1 3.08Å; T719-N722 PolarHBondContact OG1-OD1 3.43Å; T719-N743 WeakPolarHBondContact O-CB 3.28Å; T719-N743 PolarHBondContact O-ND2 3.44Å; T719-Y856 WeakPolarHBondContact CB-OH 3.4Å; T719-Y856 HydrophobicContact CG2-CE2 4.09Å; T719-Y856 WeakPolarHBondContact CG2-OH 3.33Å
720P95.7Very high93.5Very high0 Ų042.6 Ų42.60%022%0.223CC..SBendtrans-64.6-24.5179-26.936.9000115.8N743 S746 M747 L753 F823 L830 F851P720-N743 PolarHBondContact O-N 3.16Å; P720-S746 VanDerWaalsContact CA-OG 3.28Å; P720-S746 WeakPolarHBondContact CA-OG 3.4Å; P720-M747 HydrophobicContact CB-CE 4.12Å; P720-L753 HydrophobicContact CB-CD1 4.14Å; P720-L753 HydrophobicContact CB-CD2 4.11Å; P720-F823 HydrophobicContact CB-CE2 4.07Å; P720-F823 HydrophobicContact CB-CZ 4.14Å; P720-F823 HydrophobicContact CG-CE2 4.28Å; P720-F823 HydrophobicContact CG-CZ 4.42Å; P720-L830 HydrophobicContact CG-CD1 3.98Å; P720-L830 HydrophobicContact CG-CD2 3.59Å; P720-L830 HydrophobicContact CG-CG 4.46Å; P720-F851 HydrophobicContact CB-CE2 4.17Å; P720-F851 HydrophobicContact CB-CZ 4.33Å; P720-F851 HydrophobicContact CG-CE2 3.88Å; P720-F851 HydrophobicContact CG-CZ 4.18Å
721L96.2Very high93Very high4 Ų446 Ų462%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-137.398.5-179.6-171.968.2000109T719 L723 Y740 R741 L753 I791 V821 F823 Y856T719-L721 VanDerWaalsContact C-N 3.27Å; T719-L721 PolarHBondContact O-N 3.03Å; L721-L723 HydrophobicContact CD2-CD2 4.19Å; L721-L723 HydrophobicContact CG-CD2 4.04Å; L721-Y740 HydrophobicContact CD1-CD2 4.15Å; L721-R741 CarbonylContact C-O 3.58Å; L721-L753 HydrophobicContact CB-CD1 3.89Å; L721-L753 HydrophobicContact CD1-CD1 4.38Å; L721-I791 HydrophobicContact CD1-CD1 4.47Å; L721-V821 HydrophobicContact CD2-CG1 4.15Å; L721-F823 HydrophobicContact CB-CD1 4.36Å; L721-F823 HydrophobicContact CB-CE1 3.7Å; L721-F823 HydrophobicContact CB-CZ 4.12Å; L721-F823 HydrophobicContact CD2-CD1 3.94Å; L721-F823 HydrophobicContact CD2-CE1 3.99Å; L721-Y856 PolarHBondContact N-OH 3.32Å; L721-Y856 VanDerWaalsContact N-OH 3.16Å; L721-Y856 WeakPolarHBondContact O-CE1 3.41Å; L721-Y856 PolarHBondContact O-OH 3.34Å
722N95.3Very high92.7Very high33 Ų3349.4 Ų49.418%0.17627%0.272CS..EExtended strand (participates in β ladder)trans-75.1132.1-177.9-68.9-12.9000109.5I716 T719 Y740 R741I716-N722 HydrophobicContact CD1-CB 4.29Å; I716-N722 HydrophobicContact CG1-CB 4.23Å; I716-N722 PolarHBondContact O-ND2 2.92Å; I716-N722 PolarHBondContact O-OD1 2.98Å; I716-N722 VanDerWaalsContact O-OD1 3.14Å; T719-N722 WeakPolarHBondContact CB-OD1 3.35Å; T719-N722 PolarHBondContact O-OD1 2.96Å; T719-N722 VanDerWaalsContact O-OD1 3.08Å; T719-N722 PolarHBondContact OG1-OD1 3.43Å; N722-Y740 CarbonylContact O-C 3.44Å; N722-Y740 VanDerWaalsContact O-CA 3.24Å; N722-Y740 WeakPolarHBondContact O-CA 3.49Å; N722-R741 PolarHBondContact N-O 3.29Å; N722-R741 PolarHBondContact O-N 3.44Å
723L95.3Very high92.6Very high9 Ų945.2 Ų45.25%0.04725%0.25CS..EExtended strand (participates in β ladder)trans-118.3141.4-173.8-53.8-179.4000111.2F607 L721 L738 V821 Y856 A858F607-L723 HydrophobicContact CD1-CB 4.19Å; F607-L723 WeakPolarHBondContact CD1-O 3.44Å; F607-L723 HydrophobicContact CD2-CB 3.95Å; F607-L723 HydrophobicContact CD2-CD1 3.9Å; F607-L723 HydrophobicContact CD2-CG 4.08Å; F607-L723 HydrophobicContact CE1-CB 4.37Å; F607-L723 HydrophobicContact CE2-CB 4.15Å; F607-L723 HydrophobicContact CE2-CD1 3.9Å; F607-L723 HydrophobicContact CE2-CG 3.88Å; F607-L723 HydrophobicContact CG-CB 3.98Å; F607-L723 HydrophobicContact CZ-CB 4.35Å; F607-L723 HydrophobicContact CZ-CG 4.21Å; L721-L723 HydrophobicContact CD2-CD2 4.19Å; L721-L723 HydrophobicContact CG-CD2 4.04Å; L723-L738 HydrophobicContact CB-CD1 4.03Å; L723-L738 HydrophobicContact CD2-CD1 4.23Å; L723-V821 HydrophobicContact CD1-CB 4.39Å; L723-V821 HydrophobicContact CD1-CG2 3.61Å; L723-V821 HydrophobicContact CD2-CG2 4.43Å; L723-Y856 HydrophobicContact CD1-CD1 3.98Å; L723-Y856 HydrophobicContact CD1-CE1 3.84Å; L723-Y856 HydrophobicContact CG-CE1 4.17Å; L723-A858 HydrophobicContact CB-CB 4.42Å; L723-A858 HydrophobicContact CD1-CB 4.17Å
724A94.1Very high92.7Very high21 Ų2143.5 Ų43.517%0.17424%0.239CC..EExtended strand (participates in β ladder)trans-135.9124168.500000110.2A610 Y726 D739A610-A724 HydrophobicContact CB-CB 4.18Å; A724-Y726 HydrophobicContact CB-CE2 4.25Å; A724-D739 PolarHBondContact N-O 3.3Å; A724-D739 PolarHBondContact O-N 3.36Å
725V93.6Very high92.9Very high2 Ų240.1 Ų40.11%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-111.3139.7-173.8-155.20000111.3G609 L736 L738 L819 A858G609-V725 PolarHBondContact O-N 3.36Å; V725-L736 HydrophobicContact CG1-CD1 3.93Å; V725-L738 HydrophobicContact CG2-CD1 4.05Å; V725-L819 HydrophobicContact CG1-CD2 3.8Å; V725-L819 HydrophobicContact CG2-CD2 4.06Å; V725-L819 HydrophobicContact CG2-CG 4.49Å; V725-A858 HydrophobicContact CG2-CB 3.37Å
726Y92.5Very high93Very high105 Ų10539.3 Ų39.341%0.41221%0.211SC..EExtended strand (participates in β ladder)trans-132.4118.3174.7-51.1-87000109.6A610 A724 R737A610-Y726 HydrophobicContact CB-CE1 3.78Å; A610-Y726 WeakPolarHBondContact CB-OH 3.4Å; A724-Y726 HydrophobicContact CB-CE2 4.25Å; Y726-R737 HydrophobicContact CD2-CB 4.37Å; Y726-R737 HydrophobicContact CD2-CG 4.12Å; Y726-R737 PolarHBondContact N-O 3.06Å; Y726-R737 PolarHBondContact O-N 2.94Å
727W91.4Very high93.2Very high27 Ų2742.6 Ų42.610%0.10222%0.221CC..EExtended strand (participates in β ladder)trans-108.1141.4172.5-71.670.4000110.8T734 L736 V760 V762 P816 S817 C860W727-T734 HydrophobicContact CE3-CG2 3.75Å; W727-T734 HydrophobicContact CZ3-CG2 4.01Å; W727-L736 HydrophobicContact CD2-CD1 3.96Å; W727-L736 HydrophobicContact CG-CD1 4.09Å; W727-L736 HydrophobicContact CZ2-CD1 4.2Å; W727-V760 HydrophobicContact CH2-CG1 3.99Å; W727-V760 HydrophobicContact CZ2-CG1 3.78Å; W727-V762 HydrophobicContact CH2-CG2 4.32Å; W727-P816 HydrophobicContact CB-CB 4.15Å; W727-P816 HydrophobicContact CB-CG 4.2Å; W727-P816 HydrophobicContact CD2-CB 3.93Å; W727-P816 HydrophobicContact CE3-CB 4.23Å; W727-P816 HydrophobicContact CG-CB 3.91Å; W727-P816 HydrophobicContact CG-CG 4.46Å; W727-S817 VanDerWaalsContact CH2-OG 3.31Å; W727-S817 WeakPolarHBondContact CH2-OG 3.38Å; W727-S817 VanDerWaalsContact CZ2-O 3.27Å; W727-S817 WeakPolarHBondContact CZ2-O 3.5Å; W727-C860 HydrophobicContact CB-CB 4.28Å; W727-C860 HydrophobicContact CG-CB 4.15Å; W727-C860 PolarHBondContact N-SG 3.29Å
728K91.8Very high93.3Very high127 Ų12736.9 Ų36.955%0.55220%0.195SC*.EExtended strand (participates in β ladder)trans-136.188.3172.2179.1-174.6158.9-132.20109.1D735K728-D735 HydrophobicContact CB-CB 4.27Å; K728-D735 PolarHBondContact N-O 2.76Å; K728-D735 IonicContact NZ-OD2 3.61Å; K728-D735 PolarHBondContact NZ-OD2 3.03Å; K728-D735 PolarHBondContact O-N 3.01Å
729C90.9Very high93.3Very high41 Ų4137.5 Ų37.528%0.27720%0.197SC..EExtended strand (participates in β ladder)trans-79.2133.4177.3-52.90000110.7P813 S814C729-P813 HydrophobicContact CB-CB 4.29Å; C729-S814 WeakPolarHBondContact CB-O 3.36Å; C729-S814 PolarHBondContact SG-O 3.35Å; C729-S814 PolarHBondContact SG-OG 3.49Å; C729-S814 VanDerWaalsContact SG-OG 3.38Å
730T90.4Very high93.3Very high36 Ų3639.6 Ų39.622%0.22121%0.205CC..  trans-130165.9168.777.40000109.3S732 T733 P813T730-S732 PolarHBondContact O-N 3.37Å; T730-S732 VanDerWaalsContact O-N 3.13Å; T730-T733 WeakPolarHBondContact CA-O 3.37Å; T730-T733 WeakPolarHBondContact CB-O 3.47Å; T730-T733 PolarHBondContact N-O 3.38Å; T730-T733 PolarHBondContact OG1-N 3.04Å; T730-T733 VanDerWaalsContact OG1-N 3.11Å; T730-T733 PolarHBondContact OG1-O 3.38Å; T730-T733 PolarHBondContact OG1-OG1 2.87Å; T730-P813 WeakPolarHBondContact O-CA 3.47Å
731P88Confident93.2Very high101 Ų10145.5 Ų45.566%0.65623%0.227SC*.SBendtrans-60.9-23-176.1-26.336.3000115.3G812P731-G812 CarbonylContact O-C 3.54Å; P731-G812 VanDerWaalsContact O-CA 3.26Å; P731-G812 WeakPolarHBondContact O-CA 3.26Å
732S89.1Confident93.2Very high76 Ų7645.7 Ų45.753%0.53123%0.228SC..SBendtrans-114.6-26.2-179.4540000114.4T730 L809T730-S732 PolarHBondContact O-N 3.37Å; T730-S732 VanDerWaalsContact O-N 3.13Å; S732-L809 PolarHBondContact O-N 3.46Å
733T92.6Very high93.2Very high21 Ų2144.7 Ų44.713%0.12922%0.223CC..EExtended strand (participates in β ladder)trans-143.1148.6-179.868.20000113.3T730 F807 E808T730-T733 WeakPolarHBondContact CA-O 3.37Å; T730-T733 WeakPolarHBondContact CB-O 3.47Å; T730-T733 PolarHBondContact N-O 3.38Å; T730-T733 PolarHBondContact OG1-N 3.04Å; T730-T733 VanDerWaalsContact OG1-N 3.11Å; T730-T733 PolarHBondContact OG1-O 3.38Å; T730-T733 PolarHBondContact OG1-OG1 2.87Å; T733-F807 CarbonylContact C-O 3.56Å; T733-F807 WeakPolarHBondContact CA-O 3.43Å; T733-F807 WeakPolarHBondContact CB-O 3.5Å; T733-E808 HydrophobicContact CG2-CB 4.47Å; T733-E808 HydrophobicContact CG2-CG 4.16Å
734T93.2Very high93.1Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-117.8117.1172.8-64.60000109.8W727 K806 F807 S814W727-T734 HydrophobicContact CE3-CG2 3.75Å; W727-T734 HydrophobicContact CZ3-CG2 4.01Å; T734-K806 WeakPolarHBondContact O-CA 3.44Å; T734-F807 PolarHBondContact N-O 3.27Å; T734-F807 PolarHBondContact O-N 3.29Å; T734-S814 WeakPolarHBondContact CB-OG 3.38Å; T734-S814 WeakPolarHBondContact CG2-OG 3.35Å; T734-S814 PolarHBondContact OG1-OG 3.26Å
735D93.8Very high93.1Very high43 Ų4351.5 Ų51.523%0.2326%0.258CS..EExtended strand (participates in β ladder)trans-91.1128.8172.1-47.4-45000108.6K728 K806K728-D735 HydrophobicContact CB-CB 4.27Å; K728-D735 PolarHBondContact N-O 2.76Å; K728-D735 IonicContact NZ-OD2 3.61Å; K728-D735 PolarHBondContact NZ-OD2 3.03Å; K728-D735 PolarHBondContact O-N 3.01Å; D735-K806 WeakPolarHBondContact OD1-CG 3.22Å
736L94.4Very high93Very high6 Ų651.6 Ų51.63%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-120138.4177173.767.7000110V725 W727 V760 W786 R804 A805 F807V725-L736 HydrophobicContact CG1-CD1 3.93Å; W727-L736 HydrophobicContact CD2-CD1 3.96Å; W727-L736 HydrophobicContact CG-CD1 4.09Å; W727-L736 HydrophobicContact CZ2-CD1 4.2Å; L736-V760 HydrophobicContact CD2-CB 4.35Å; L736-V760 HydrophobicContact CD2-CG1 3.84Å; L736-V760 HydrophobicContact CD2-CG2 4.07Å; L736-W786 HydrophobicContact CD2-CH2 4.2Å; L736-W786 HydrophobicContact CD2-CZ3 4.41Å; L736-R804 VanDerWaalsContact O-CA 3.31Å; L736-R804 WeakPolarHBondContact O-CA 3.28Å; L736-A805 PolarHBondContact N-O 3.39Å; L736-A805 PolarHBondContact O-N 2.83Å; L736-F807 HydrophobicContact CB-CE2 4.14Å; L736-F807 HydrophobicContact CD2-CE2 4.17Å
737R94.6Very high93.1Very high102 Ų10247.3 Ų47.339%0.38524%0.242SC..EExtended strand (participates in β ladder)trans-133.6125.6165.9173.7179.9171.5-175.3-6.1109.8Y726 D739 L803 R804Y726-R737 HydrophobicContact CD2-CB 4.37Å; Y726-R737 HydrophobicContact CD2-CG 4.12Å; Y726-R737 PolarHBondContact N-O 3.06Å; Y726-R737 PolarHBondContact O-N 2.94Å; R737-D739 WeakPolarHBondContact CG-OD1 3.39Å; R737-D739 IonicContact CZ-OD1 3.66Å; R737-D739 IonicContact CZ-OD2 3.34Å; R737-D739 VanDerWaalsContact NE-CG 3.27Å; R737-D739 IonicContact NE-OD1 2.71Å; R737-D739 PolarHBondContact NE-OD1 3.06Å; R737-D739 IonicContact NE-OD2 2.99Å; R737-D739 PolarHBondContact NE-OD2 3.13Å; R737-D739 IonicContact NH2-OD1 2.77Å; R737-D739 IonicContact NH2-OD2 2.77Å; R737-D739 PolarHBondContact NH2-OD2 3.43Å; R737-L803 CarbonylContact C-O 3.59Å; R737-L803 WeakPolarHBondContact CA-O 3.5Å; R737-R804 HydrophobicContact CB-CG 4.37Å; R737-R804 HydrophobicContact CG-CG 4.28Å
738L95.6Very high93.1Very high4 Ų449.4 Ų49.42%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-111.9116.2165.3168.265.2000107.7L723 V725 V758 S802 L803 L819L723-L738 HydrophobicContact CB-CD1 4.03Å; L723-L738 HydrophobicContact CD2-CD1 4.23Å; V725-L738 HydrophobicContact CG2-CD1 4.05Å; L738-V758 HydrophobicContact CD2-CG1 3.65Å; L738-V758 HydrophobicContact CD2-CG2 4.18Å; L738-S802 CarbonylContact O-C 3.59Å; L738-S802 WeakPolarHBondContact O-CA 3.4Å; L738-L803 HydrophobicContact CB-CB 4.45Å; L738-L803 HydrophobicContact CD2-CD1 4.26Å; L738-L803 PolarHBondContact N-O 3.33Å; L738-L803 PolarHBondContact O-N 2.73Å; L738-L819 HydrophobicContact CB-CD2 4.36Å; L738-L819 HydrophobicContact CD1-CD2 4.34Å; L738-L819 HydrophobicContact CD2-CD1 4.25Å; L738-L819 HydrophobicContact CD2-CD2 4.14Å
739D94.8Very high93Very high29 Ų2946.6 Ų46.616%0.15525%0.252CS..EExtended strand (participates in β ladder)trans-94.3143.4166.8-64.2-17.7000109.6A724 R737 G801 S802A724-D739 PolarHBondContact N-O 3.3Å; A724-D739 PolarHBondContact O-N 3.36Å; R737-D739 WeakPolarHBondContact CG-OD1 3.39Å; R737-D739 IonicContact CZ-OD1 3.66Å; R737-D739 IonicContact CZ-OD2 3.34Å; R737-D739 VanDerWaalsContact NE-CG 3.27Å; R737-D739 IonicContact NE-OD1 2.71Å; R737-D739 PolarHBondContact NE-OD1 3.06Å; R737-D739 IonicContact NE-OD2 2.99Å; R737-D739 PolarHBondContact NE-OD2 3.13Å; R737-D739 IonicContact NH2-OD1 2.77Å; R737-D739 IonicContact NH2-OD2 2.77Å; R737-D739 PolarHBondContact NH2-OD2 3.43Å; D739-G801 WeakPolarHBondContact CA-O 3.4Å; D739-S802 VanDerWaalsContact OD1-CB 3.22Å; D739-S802 WeakPolarHBondContact OD1-CB 3.48Å; D739-S802 PolarHBondContact OD1-OG 2.97Å
740Y95.1Very high93Very high44 Ų4447.9 Ų47.917%0.17326%0.26CS..EExtended strand (participates in β ladder)trans-133.6152.4178.361-95.8000111.5L721 N722 L788 I791 A800 G801 L803L721-Y740 HydrophobicContact CD1-CD2 4.15Å; N722-Y740 CarbonylContact O-C 3.44Å; N722-Y740 VanDerWaalsContact O-CA 3.24Å; N722-Y740 WeakPolarHBondContact O-CA 3.49Å; Y740-L788 HydrophobicContact CE1-CD1 4Å; Y740-I791 HydrophobicContact CD2-CD1 3.86Å; Y740-I791 HydrophobicContact CE2-CD1 3.41Å; Y740-I791 VanDerWaalsContact CE2-CD1 3.41Å; Y740-I791 HydrophobicContact CE2-CG1 4.48Å; Y740-A800 CarbonylContact O-C 3.57Å; Y740-A800 VanDerWaalsContact O-CA 3.25Å; Y740-A800 WeakPolarHBondContact O-CA 3.5Å; Y740-G801 PolarHBondContact N-O 2.67Å; Y740-G801 PolarHBondContact O-N 3.38Å; Y740-L803 HydrophobicContact CD1-CG 4.25Å; Y740-L803 HydrophobicContact CE1-CD2 3.76Å; Y740-L803 HydrophobicContact CE1-CG 3.9Å
741R95.1Very high93.1Very high124 Ų12446.8 Ų46.847%0.46826%0.256SS..EExtended strand (participates in β ladder)trans-143.2127.1173.7173.4176.7-74.6-90.94110.7L721 N722 E798 A800L721-R741 CarbonylContact C-O 3.58Å; N722-R741 PolarHBondContact N-O 3.29Å; N722-R741 PolarHBondContact O-N 3.44Å; R741-E798 IonicContact NH1-OE2 2.67Å; R741-E798 PolarHBondContact NH1-OE2 3.29Å; R741-A800 HydrophobicContact CB-CB 4.16Å; R741-A800 HydrophobicContact CG-CB 4.29Å
742Y96.2Very high93.4Very high9 Ų945 Ų454%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-61.3141.5168.5180-99.6000111.6P744 M747 G751 L753 I791 E793 G799Y742-P744 HydrophobicContact CE1-CB 3.92Å; Y742-P744 HydrophobicContact CE1-CG 4.36Å; Y742-M747 HydrophobicContact CE2-CE 3.71Å; Y742-G751 PolarHBondContact OH-N 3.49Å; Y742-G751 PolarHBondContact OH-O 3.4Å; Y742-L753 HydrophobicContact CD2-CD1 4.19Å; Y742-L753 HydrophobicContact CD2-CG 4.16Å; Y742-L753 HydrophobicContact CE2-CG 4.09Å; Y742-I791 HydrophobicContact CD2-CG2 3.99Å; Y742-I791 HydrophobicContact CG-CG2 4.19Å; Y742-E793 HydrophobicContact CD1-CB 4.32Å; Y742-E793 HydrophobicContact CE1-CB 3.92Å; Y742-E793 VanDerWaalsContact CE1-N 3.34Å; Y742-G799 PolarHBondContact N-O 2.75Å; Y742-G799 VanDerWaalsContact N-O 3.07Å
743N95Very high93.8Very high12 Ų1241.3 Ų41.36%0.06422%0.219CC..  trans-128.393.6-176.7177.613.5000111H717 T719 P720 D745 S746 M747H717-N743 PolarHBondContact O-ND2 3.41Å; T719-N743 WeakPolarHBondContact O-CB 3.28Å; T719-N743 PolarHBondContact O-ND2 3.44Å; P720-N743 PolarHBondContact O-N 3.16Å; N743-D745 VanDerWaalsContact C-N 3.31Å; N743-D745 PolarHBondContact O-N 2.67Å; N743-D745 PolarHBondContact OD1-N 3.01Å; N743-S746 PolarHBondContact O-N 2.86Å; N743-S746 PolarHBondContact O-OG 2.64Å; N743-M747 WeakPolarHBondContact O-CE 3.44Å
744P93.8Very high94Very high33 Ų3342.1 Ų42.121%0.21422%0.224CC..G310 helixtrans-62.1-36.6-179.824.9-31.9000112.5Y742 S746 M747 P750Y742-P744 HydrophobicContact CE1-CB 3.92Å; Y742-P744 HydrophobicContact CE1-CG 4.36Å; P744-S746 PolarHBondContact O-N 2.93Å; P744-M747 PolarHBondContact O-N 2.64Å; P744-P750 HydrophobicContact CB-CB 3.9Å; P744-P750 HydrophobicContact CB-CG 3.88Å
745D92.6Very high94Very high139 Ų13946.3 Ų46.374%0.74325%0.246SC*.G310 helixtrans-64.4-14.3-173.1-54.4-38.3000113.8N743 M747N743-D745 VanDerWaalsContact C-N 3.31Å; N743-D745 PolarHBondContact O-N 2.67Å; N743-D745 PolarHBondContact OD1-N 3.01Å; D745-M747 VanDerWaalsContact C-N 3.32Å
746S92.8Very high94.1Very high4 Ų444.3 Ų44.33%0.02824%0.235CC..G310 helixtrans-78.8-8.4173.768.80000114.6P720 N743 P744 L830P720-S746 VanDerWaalsContact CA-OG 3.28Å; P720-S746 WeakPolarHBondContact CA-OG 3.4Å; N743-S746 PolarHBondContact O-N 2.86Å; N743-S746 PolarHBondContact O-OG 2.64Å; P744-S746 PolarHBondContact O-N 2.93Å; S746-L830 WeakPolarHBondContact O-CA 3.41Å; S746-L830 WeakPolarHBondContact O-CD2 3.28Å
747M93.6Very high94.2Very high15 Ų1546 Ų467%0.07424%0.243CC..  trans-119.3142.6-171.3-75.2168.9-92.300112.8P720 Y742 N743 P744 D745 S749 L830 F851P720-M747 HydrophobicContact CB-CE 4.12Å; Y742-M747 HydrophobicContact CE2-CE 3.71Å; N743-M747 WeakPolarHBondContact O-CE 3.44Å; P744-M747 PolarHBondContact O-N 2.64Å; D745-M747 VanDerWaalsContact C-N 3.32Å; M747-S749 VanDerWaalsContact C-N 3.35Å; M747-L830 HydrophobicContact CG-CD2 3.62Å; M747-F851 HydrophobicContact CG-CE1 3.77Å; M747-F851 HydrophobicContact CG-CZ 3.93Å; M747-F851 HydrophobicContact SD-CE1 3.82Å; M747-F851 HydrophobicContact SD-CZ 3.57Å; M747-F851 VanDerWaalsContact SD-CZ 3.57Å
748D91.1Very high94.4Very high71 Ų7141.3 Ų41.338%0.3823%0.226SC..SBendtrans-62.3-40.2173.2-172.855.6000112.4S828 T829 G832 K849D748-S828 PolarHBondContact N-OG 3.01Å; D748-T829 WeakPolarHBondContact CB-O 3.43Å; D748-T829 PolarHBondContact N-O 2.81Å; D748-G832 VanDerWaalsContact CG-CA 3.45Å; D748-G832 VanDerWaalsContact OD1-CA 3.3Å; D748-G832 WeakPolarHBondContact OD1-CA 3.48Å; D748-K849 IonicContact OD2-NZ 3.97Å; D748-K849 PolarHBondContact OD2-NZ 3.39Å
749S91.1Very high94.4Very high69 Ų6944.3 Ų44.348%0.48324%0.241SC..SBendtrans-138.693.3177.6-179.40000108.6M747 G751 S828M747-S749 VanDerWaalsContact C-N 3.35Å; S749-G751 PolarHBondContact O-N 3.36Å; S749-G751 VanDerWaalsContact O-N 3.16Å; S749-S828 PolarHBondContact N-OG 3.24Å; S749-S828 VanDerWaalsContact O-CB 3.24Å; S749-S828 WeakPolarHBondContact O-CB 3.45Å; S749-S828 PolarHBondContact O-OG 3.08Å
750P91.4Very high94.4Very high68 Ų6843 Ų4344%0.44223%0.234SC..  trans-51.6120.7-175-30.436.3000113P744P744-P750 HydrophobicContact CB-CB 3.9Å; P744-P750 HydrophobicContact CB-CG 3.88Å
751G92.1Very high94.3Very high13 Ų1342.9 Ų42.913%0.13424%0.239CC..  trans-142.2164.6-175.400000112.2Y742 S749 L753Y742-G751 PolarHBondContact OH-N 3.49Å; Y742-G751 PolarHBondContact OH-O 3.4Å; S749-G751 PolarHBondContact O-N 3.36Å; S749-G751 VanDerWaalsContact O-N 3.16Å; G751-L753 PolarHBondContact O-N 3.21Å
752P94.7Very high94.1Very high62 Ų6237.2 Ų37.240%0.40322%0.218SC..  trans-61.6137.1-17726.4-34.4000111.5T754 D790 I791 N825P752-T754 HydrophobicContact CB-CG2 4.31Å; P752-T754 HydrophobicContact CG-CG2 4.49Å; P752-D790 HydrophobicContact CB-CB 4.49Å; P752-I791 CarbonylContact C-O 3.41Å; P752-I791 WeakPolarHBondContact CA-O 3.23Å; P752-N825 PolarHBondContact O-ND2 3.43Å
753L96.4Very high93.7Very high0 Ų039.9 Ų39.90%023%0.233CC..BIsolated β-bridgetrans-80.4128.5161.1-56.7-175.3000107.5P720 L721 Y742 G751 I756 D790 I791 F823 M824 N825 F851P720-L753 HydrophobicContact CB-CD1 4.14Å; P720-L753 HydrophobicContact CB-CD2 4.11Å; L721-L753 HydrophobicContact CB-CD1 3.89Å; L721-L753 HydrophobicContact CD1-CD1 4.38Å; Y742-L753 HydrophobicContact CD2-CD1 4.19Å; Y742-L753 HydrophobicContact CD2-CG 4.16Å; Y742-L753 HydrophobicContact CE2-CG 4.09Å; G751-L753 PolarHBondContact O-N 3.21Å; L753-I756 HydrophobicContact CB-CD1 3.83Å; L753-I756 HydrophobicContact CB-CG1 4.3Å; L753-I756 WeakPolarHBondContact O-CD1 3.42Å; L753-D790 CarbonylContact O-C 3.57Å; L753-D790 WeakPolarHBondContact O-CA 3.37Å; L753-D790 WeakPolarHBondContact O-CB 3.5Å; L753-I791 PolarHBondContact N-O 3.48Å; L753-I791 PolarHBondContact O-N 3.13Å; L753-F823 HydrophobicContact CB-CB 4.39Å; L753-F823 HydrophobicContact CD1-CD1 4.49Å; L753-F823 HydrophobicContact CD1-CD2 4.11Å; L753-F823 HydrophobicContact CD1-CE2 4.22Å; L753-F823 HydrophobicContact CD1-CG 4.26Å; L753-F823 HydrophobicContact CD1-CZ 4.45Å; L753-F823 HydrophobicContact CD2-CD2 3.91Å; L753-F823 HydrophobicContact CD2-CE2 4.14Å; L753-F823 HydrophobicContact CG-CD2 4.4Å; L753-M824 CarbonylContact C-O 3.6Å; L753-M824 WeakPolarHBondContact CA-O 3.31Å; L753-N825 HydrophobicContact CD2-CB 4.35Å; L753-F851 HydrophobicContact CD2-CE2 3.67Å; L753-F851 HydrophobicContact CD2-CZ 3.67Å
754T96.3Very high93.1Very high38 Ų3840 Ų4023%0.23324%0.237CC..EExtended strand (participates in β ladder)trans-123165.7-17673.50000111.8P752 I756 D790 M824P752-T754 HydrophobicContact CB-CG2 4.31Å; P752-T754 HydrophobicContact CG-CG2 4.49Å; T754-I756 VanDerWaalsContact C-N 3.28Å; T754-I756 PolarHBondContact O-N 3.29Å; T754-D790 WeakPolarHBondContact CA-OD1 3.21Å; T754-D790 VanDerWaalsContact CB-OD1 3.32Å; T754-D790 WeakPolarHBondContact CB-OD1 3.29Å; T754-D790 HydrophobicContact CG2-CB 4.19Å; T754-M824 PolarHBondContact N-O 3.23Å; T754-M824 PolarHBondContact O-N 2.93Å; T754-M824 PolarHBondContact OG1-O 3.35Å
755N94.1Very high92.7Very high87 Ų8740.1 Ų40.147%0.46524%0.244SC..EExtended strand (participates in β ladder)trans53.245.3-177-176.328.9000112Q757 M824N755-Q757 PolarHBondContact O-N 3.22Å; N755-Q757 PolarHBondContact OD1-NE2 3.27Å; N755-M824 HydrophobicContact CB-CG 4.33Å; N755-M824 HydrophobicContact CB-SD 4.48Å
756I96.5Very high92.6Very high2 Ų234.5 Ų34.51%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-78.7120-172.4-52-175.8000110.1L753 T754 K787 L788 I791 Q822 F823L753-I756 HydrophobicContact CB-CD1 3.83Å; L753-I756 HydrophobicContact CB-CG1 4.3Å; L753-I756 WeakPolarHBondContact O-CD1 3.42Å; T754-I756 VanDerWaalsContact C-N 3.28Å; T754-I756 PolarHBondContact O-N 3.29Å; I756-K787 WeakPolarHBondContact O-CA 3.4Å; I756-L788 HydrophobicContact CB-CB 4.1Å; I756-L788 HydrophobicContact CG2-CB 4.16Å; I756-L788 HydrophobicContact CG2-CD1 4.08Å; I756-L788 HydrophobicContact CG2-CG 4.32Å; I756-L788 PolarHBondContact O-N 2.97Å; I756-I791 HydrophobicContact CD1-CB 3.59Å; I756-I791 HydrophobicContact CD1-CD1 3.61Å; I756-I791 HydrophobicContact CD1-CG1 3.58Å; I756-Q822 CarbonylContact C-O 3.58Å; I756-Q822 VanDerWaalsContact CA-O 3.3Å; I756-Q822 WeakPolarHBondContact CA-O 3.42Å; I756-F823 HydrophobicContact CG1-CB 4.01Å
757Q96.6Very high92.4Very high41 Ų4139.1 Ų39.119%0.19224%0.243CC..EExtended strand (participates in β ladder)trans-130.7134.5-179.1-54.8-168.342.300110.5N755 L785 W786 K787 V821 Q822N755-Q757 PolarHBondContact O-N 3.22Å; N755-Q757 PolarHBondContact OD1-NE2 3.27Å; Q757-L785 HydrophobicContact CB-CD1 4.17Å; Q757-W786 WeakPolarHBondContact CA-O 3.37Å; Q757-K787 HydrophobicContact CG-CG 4.23Å; Q757-V821 CarbonylContact O-C 3.51Å; Q757-V821 WeakPolarHBondContact O-CA 3.37Å; Q757-Q822 HydrophobicContact CB-CB 4.48Å; Q757-Q822 PolarHBondContact N-O 3.15Å; Q757-Q822 PolarHBondContact O-N 2.97Å
758V97.1Very high92.2Very high4 Ų441.7 Ų41.72%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-120118.8175.8-179.20000108.7L738 V760 L785 W786 L803 L819 V821L738-V758 HydrophobicContact CD2-CG1 3.65Å; L738-V758 HydrophobicContact CD2-CG2 4.18Å; V758-V760 HydrophobicContact CG1-CG2 4.12Å; V758-L785 WeakPolarHBondContact O-CA 3.33Å; V758-W786 HydrophobicContact CB-CB 4.29Å; V758-W786 HydrophobicContact CB-CE3 4.4Å; V758-W786 HydrophobicContact CG1-CE3 4.3Å; V758-W786 PolarHBondContact N-O 3.04Å; V758-W786 PolarHBondContact O-N 3.33Å; V758-L803 HydrophobicContact CB-CD1 4.06Å; V758-L803 HydrophobicContact CG1-CD1 4.3Å; V758-L803 HydrophobicContact CG2-CD1 3.81Å; V758-L819 HydrophobicContact CG1-CD1 4.44Å; V758-V821 HydrophobicContact CG1-CG2 4.33Å; V758-V821 HydrophobicContact CG2-CG1 4.22Å; V758-V821 HydrophobicContact CG2-CG2 4.12Å
759L95.9Very high92.3Very high66 Ų6640 Ų4035%0.34625%0.247SC..EExtended strand (participates in β ladder)trans-114.8119.2-176.5-173.271.6000110K783 C784 L785 A820L759-K783 HydrophobicContact CD1-CB 4.02Å; L759-K783 HydrophobicContact CD1-CD 4.07Å; L759-K783 HydrophobicContact CD1-CG 4.41Å; L759-K783 HydrophobicContact CD2-CD 4.24Å; L759-K783 HydrophobicContact CG-CD 4.28Å; L759-C784 WeakPolarHBondContact CA-O 3.42Å; L759-L785 HydrophobicContact CD1-CB 4.16Å; L759-L785 HydrophobicContact CD1-CD1 4.19Å; L759-A820 PolarHBondContact N-O 3.12Å; L759-A820 PolarHBondContact O-N 3.46Å
760V95.3Very high92.4Very high1 Ų142 Ų421%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-122.6113.9-178-167.80000109.6W727 L736 V758 V762 K783 C784 W786 L819W727-V760 HydrophobicContact CH2-CG1 3.99Å; W727-V760 HydrophobicContact CZ2-CG1 3.78Å; L736-V760 HydrophobicContact CD2-CB 4.35Å; L736-V760 HydrophobicContact CD2-CG1 3.84Å; L736-V760 HydrophobicContact CD2-CG2 4.07Å; V758-V760 HydrophobicContact CG1-CG2 4.12Å; V760-V762 HydrophobicContact CG1-CG2 4.3Å; V760-K783 CarbonylContact O-C 3.56Å; V760-K783 WeakPolarHBondContact O-CA 3.28Å; V760-C784 HydrophobicContact CB-CB 4.42Å; V760-C784 PolarHBondContact N-O 3.27Å; V760-C784 PolarHBondContact O-N 3.11Å; V760-W786 HydrophobicContact CG2-CE3 4.38Å; V760-W786 HydrophobicContact CG2-CZ3 3.75Å; V760-L819 HydrophobicContact CB-CB 4.3Å; V760-L819 HydrophobicContact CG1-CB 4.19Å; V760-L819 HydrophobicContact CG2-CB 3.79Å; V760-L819 HydrophobicContact CG2-CD2 4.16Å
761P93.6Very high92.5Very high43 Ų4340 Ų4028%0.27924%0.236SC..EExtended strand (participates in β ladder)trans-71.1148.3167.228.5-27.1000110.2S782 K783 S817 T818P761-S782 WeakPolarHBondContact CA-O 3.23Å; P761-K783 HydrophobicContact CB-CG 4.17Å; P761-S817 PolarHBondContact O-OG 3.17Å; P761-T818 WeakPolarHBondContact CD-O 3.42Å
762V90.9Very high92.6Very high4 Ų445.2 Ų45.22%0.02426%0.261CS..  trans-144.4123.5175.7-1750000109W727 V760 V766 W777 S782 F807W727-V762 HydrophobicContact CH2-CG2 4.32Å; V760-V762 HydrophobicContact CG1-CG2 4.3Å; V762-V766 HydrophobicContact CB-CG2 4.18Å; V762-V766 HydrophobicContact CG1-CG2 3.86Å; V762-W777 HydrophobicContact CB-CH2 4.09Å; V762-W777 HydrophobicContact CB-CZ3 4.25Å; V762-W777 HydrophobicContact CG2-CZ3 4.35Å; V762-S782 PolarHBondContact N-O 3.15Å; V762-S782 WeakPolarHBondContact O-CB 3.43Å; V762-F807 HydrophobicContact CG1-CB 4.28Å; V762-F807 HydrophobicContact CG1-CD1 4.42Å; V762-F807 HydrophobicContact CG1-CD2 4.2Å; V762-F807 HydrophobicContact CG1-CG 4.04Å; V762-F807 HydrophobicContact CG2-CD1 4.22Å; V762-F807 HydrophobicContact CG2-CD2 4.07Å; V762-F807 HydrophobicContact CG2-CE1 3.94Å; V762-F807 HydrophobicContact CG2-CE2 3.79Å; V762-F807 HydrophobicContact CG2-CG 4.29Å; V762-F807 HydrophobicContact CG2-CZ 3.72Å
763D87.8Confident92.5Very high66 Ų6645 Ų4535%0.35326%0.259SS..  trans-90.6-163.6177.770.1-14.2000112.4G765 L809 S814 N815D763-G765 VanDerWaalsContact C-N 3.28Å; D763-G765 PolarHBondContact O-N 3.21Å; D763-L809 WeakPolarHBondContact O-CD2 3.41Å; D763-S814 WeakPolarHBondContact OD1-CA 3.49Å; D763-S814 WeakPolarHBondContact OD1-CB 3.48Å; D763-N815 PolarHBondContact OD1-N 2.96Å; D763-N815 PolarHBondContact OD2-ND2 3.29Å
764G82.4Confident92.3Very high14 Ų1451.9 Ų51.914%0.14430%0.296CS..SBendtrans75.78.2-178.900000115.8S810 N811G764-S810 PolarHBondContact O-N 2.83Å; G764-S810 PolarHBondContact O-OG 2.67Å; G764-N811 VanDerWaalsContact CA-O 3.3Å; G764-N811 WeakPolarHBondContact CA-O 3.2Å; G764-N811 CarbonylContact O-C 3.59Å; G764-N811 WeakPolarHBondContact O-CA 3.33Å; G764-N811 PolarHBondContact O-N 2.89Å
765G84.8Confident92.1Very high35 Ų3551 Ų5136%0.36129%0.291SS..  trans65.370.2174.200000112.7D763 T767 S810D763-G765 VanDerWaalsContact C-N 3.28Å; D763-G765 PolarHBondContact O-N 3.21Å; G765-T767 PolarHBondContact O-N 3.36Å; G765-S810 WeakPolarHBondContact O-CB 3.48Å; G765-S810 PolarHBondContact O-N 3.34Å; G765-S810 PolarHBondContact O-OG 3Å
766V89.6Confident92.1Very high22 Ų2251.7 Ų51.713%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-58120.8-178.9-178.20000111.2V762 N768 W777 F807 E808 L809V762-V766 HydrophobicContact CB-CG2 4.18Å; V762-V766 HydrophobicContact CG1-CG2 3.86Å; V766-N768 VanDerWaalsContact CG1-O 3.27Å; V766-N768 WeakPolarHBondContact CG1-O 3.42Å; V766-W777 HydrophobicContact CB-CH2 3.96Å; V766-W777 HydrophobicContact CB-CZ2 3.53Å; V766-W777 HydrophobicContact CG1-CH2 4.42Å; V766-W777 HydrophobicContact CG1-CZ2 4.06Å; V766-W777 HydrophobicContact CG2-CH2 3.55Å; V766-W777 HydrophobicContact CG2-CZ2 3.66Å; V766-W777 HydrophobicContact CG2-CZ3 4.33Å; V766-F807 HydrophobicContact CG1-CB 4.2Å; V766-F807 HydrophobicContact CG1-CD1 4.08Å; V766-F807 HydrophobicContact CG2-CB 4.17Å; V766-F807 HydrophobicContact CG2-CD1 4.25Å; V766-E808 CarbonylContact C-O 3.49Å; V766-E808 VanDerWaalsContact CA-O 3.31Å; V766-E808 WeakPolarHBondContact CA-O 3.49Å; V766-L809 HydrophobicContact CG2-CD2 3.9Å
767T88.8Confident92Very high100 Ų10054.6 Ų54.661%0.61331%0.305SS*.EExtended strand (participates in β ladder)trans-94.2-28.2176.153.50000112.7G765 E808G765-T767 PolarHBondContact O-N 3.36Å; T767-E808 PolarHBondContact N-O 2.7Å; T767-E808 PolarHBondContact OG1-O 3.4Å
768N90.6Very high91.8Very high70 Ų7055.3 Ų55.337%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-151.9149.2-175.7-173.618000109.9V766 E808V766-N768 VanDerWaalsContact CG1-O 3.27Å; V766-N768 WeakPolarHBondContact CG1-O 3.42Å; N768-E808 HydrophobicContact CB-CB 4.04Å; N768-E808 HydrophobicContact CB-CG 4.09Å; N768-E808 WeakPolarHBondContact CB-OE2 3.35Å; N768-E808 PolarHBondContact ND2-OE2 2.88Å; N768-E808 PolarHBondContact O-N 3.13Å
769M91.8Very high91.3Very high35 Ų3559.3 Ų59.317%0.17234%0.338CS..EExtended strand (participates in β ladder)trans-139.1129.2179.8-177.9-166.372.400110S775 W777 C784 K806 F807M769-S775 WeakPolarHBondContact CE-OG 3.42Å; M769-S775 PolarHBondContact SD-OG 3.43Å; M769-W777 HydrophobicContact CE-CB 3.78Å; M769-W777 HydrophobicContact SD-CB 3.87Å; M769-W777 HydrophobicContact SD-CD2 4.43Å; M769-W777 HydrophobicContact SD-CE3 3.95Å; M769-W777 HydrophobicContact SD-CG 4.43Å; M769-C784 HydrophobicContact SD-CB 4.22Å; M769-C784 VanDerWaalsContact SD-SG 3.64Å; M769-K806 WeakPolarHBondContact CA-O 3.26Å; M769-F807 HydrophobicContact CB-CD1 4.22Å; M769-F807 HydrophobicContact CB-CE1 4.48Å; M769-F807 HydrophobicContact CG-CD1 3.75Å; M769-F807 HydrophobicContact CG-CE1 3.6Å; M769-F807 HydrophobicContact CG-CZ 4.5Å; M769-F807 HydrophobicContact SD-CD1 4.33Å; M769-F807 HydrophobicContact SD-CE1 3.66Å; M769-F807 HydrophobicContact SD-CZ 4.48Å
770Q93.3Very high90.8Very high112 Ų11264.5 Ų64.552%0.52336%0.361SS..EExtended strand (participates in β ladder)trans-113.5137.8167.5-63.2176.30.800108.4A805 K806Q770-A805 CarbonylContact O-C 3.6Å; Q770-A805 VanDerWaalsContact O-CA 3.24Å; Q770-A805 WeakPolarHBondContact O-CA 3.48Å; Q770-K806 PolarHBondContact N-O 3.35Å; Q770-K806 PolarHBondContact O-N 2.98Å
771S94.8Very high90.4Very high24 Ų2469.7 Ų69.717%0.16839%0.385CS..EExtended strand (participates in β ladder)trans-144.3151.1-179.849.10000113.2P773 S775 R804S771-P773 CarbonylContact C-O 3.52Å; S771-S775 WeakPolarHBondContact CB-OG 3.43Å; S771-S775 PolarHBondContact OG-N 3.44Å; S771-S775 PolarHBondContact OG-OG 2.75Å; S771-R804 CarbonylContact C-O 3.55Å; S771-R804 VanDerWaalsContact CA-O 3.29Å; S771-R804 WeakPolarHBondContact CA-O 3.4Å
772L92.4Very high90.3Very high124 Ų12470 Ų7065%0.64939%0.388SS*.EExtended strand (participates in β ladder)trans-142.8116.1177-174.169.1000109.3R804L772-R804 PolarHBondContact N-O 3.48Å; L772-R804 PolarHBondContact O-N 2.93Å
773P93.3Very high90.4Very high58 Ų5872 Ų7238%0.37740%0.397SS..SBendcis-59.8167.6-11.829-35.6000112.1S771 S775 W786 L788 L803S771-P773 CarbonylContact C-O 3.52Å; P773-S775 PolarHBondContact O-N 3.38Å; P773-W786 PolarHBondContact O-NE1 2.92Å; P773-L788 HydrophobicContact CG-CD2 4.4Å; P773-L803 HydrophobicContact CG-CD2 3.77Å
774N91.6Very high90.8Very high143 Ų14368.9 Ų68.977%0.76538%0.38SS*.  trans-55.8138.6-179.5-66.8-8.1000111.7
775S93.6Very high91.4Very high20 Ų2070 Ų7014%0.1438%0.382CS..  trans-124.5163.9176.459.20000111.8M769 S771 P773 C784 L785M769-S775 WeakPolarHBondContact CE-OG 3.42Å; M769-S775 PolarHBondContact SD-OG 3.43Å; S771-S775 WeakPolarHBondContact CB-OG 3.43Å; S771-S775 PolarHBondContact OG-N 3.44Å; S771-S775 PolarHBondContact OG-OG 2.75Å; P773-S775 PolarHBondContact O-N 3.38Å; S775-C784 WeakPolarHBondContact CB-SG 3.48Å; S775-C784 PolarHBondContact OG-SG 2.7Å; S775-L785 WeakPolarHBondContact CB-O 3.4Å
776I94.3Very high92Very high101 Ų10168.5 Ų68.552%0.51837%0.365SS..EExtended strand (participates in β ladder)trans-95.9121.9174.6-58.5167.9000107.9L785I776-L785 HydrophobicContact CB-CB 4.47Å; I776-L785 PolarHBondContact N-O 3.03Å; I776-L785 PolarHBondContact O-N 2.94Å
777W94.1Very high92.3Very high63 Ų6373.8 Ų73.824%0.23939%0.387CS..EExtended strand (participates in β ladder)trans-89.7133168.6-177.8-113.2000110.4V762 V766 M769 K783 C784 F807V762-W777 HydrophobicContact CB-CH2 4.09Å; V762-W777 HydrophobicContact CB-CZ3 4.25Å; V762-W777 HydrophobicContact CG2-CZ3 4.35Å; V766-W777 HydrophobicContact CB-CH2 3.96Å; V766-W777 HydrophobicContact CB-CZ2 3.53Å; V766-W777 HydrophobicContact CG1-CH2 4.42Å; V766-W777 HydrophobicContact CG1-CZ2 4.06Å; V766-W777 HydrophobicContact CG2-CH2 3.55Å; V766-W777 HydrophobicContact CG2-CZ2 3.66Å; V766-W777 HydrophobicContact CG2-CZ3 4.33Å; M769-W777 HydrophobicContact CE-CB 3.78Å; M769-W777 HydrophobicContact SD-CB 3.87Å; M769-W777 HydrophobicContact SD-CD2 4.43Å; M769-W777 HydrophobicContact SD-CE3 3.95Å; M769-W777 HydrophobicContact SD-CG 4.43Å; W777-K783 VanDerWaalsContact CE3-C 3.41Å; W777-K783 VanDerWaalsContact CE3-O 3.32Å; W777-C784 HydrophobicContact CE3-CB 3.98Å; W777-C784 HydrophobicContact CZ3-CB 4.12Å; W777-F807 HydrophobicContact CE3-CD1 4.39Å; W777-F807 AromaticContact CE3-CE1 3.97Å; W777-F807 HydrophobicContact CE3-CE1 3.97Å; W777-F807 HydrophobicContact CZ3-CD1 4.12Å; W777-F807 AromaticContact CZ3-CE1 3.79Å; W777-F807 HydrophobicContact CZ3-CE1 3.79Å
778N91.6Very high92.5Very high56 Ų5670.3 Ų70.330%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-113111.7167.6-178.2-56.7000108.6E780 Q781 S782 K783N778-E780 PolarHBondContact OD1-N 2.97Å; N778-E780 VanDerWaalsContact OD1-N 3.08Å; N778-Q781 PolarHBondContact OD1-N 3.34Å; N778-S782 WeakPolarHBondContact O-CA 3.48Å; N778-S782 PolarHBondContact O-N 3.04Å; N778-K783 PolarHBondContact N-O 2.99Å; N778-K783 PolarHBondContact O-N 3.31Å
779S86.3Confident92.6Very high88 Ų8872 Ų7262%0.61538%0.382SS*.THydrogen-bonded Turntrans-77.2-26.6-178.846.40000114.1
780E86.4Confident92.7Very high176 Ų17674.7 Ų74.782%0.82240%0.397SS*.THydrogen-bonded Turntrans-69.9-36.1178.2-57.9178.7154.100111.9N778N778-E780 PolarHBondContact OD1-N 2.97Å; N778-E780 VanDerWaalsContact OD1-N 3.08Å
781Q87.3Confident92.8Very high110 Ų11069.8 Ų69.851%0.51437%0.374SS..THydrogen-bonded Turntrans-102.4-3.6-179.7-57.6-166.220.700113.6N778 K783N778-Q781 PolarHBondContact OD1-N 3.34Å; Q781-K783 HydrophobicContact CB-CD 3.86Å; Q781-K783 HydrophobicContact CB-CG 4.28Å; Q781-K783 WeakPolarHBondContact O-CG 3.37Å
782S91.1Very high92.7Very high49 Ų4969.8 Ų69.834%0.34337%0.374SS..THydrogen-bonded Turntrans50.254.4-172.8-58.90000113.2P761 V762 N778P761-S782 WeakPolarHBondContact CA-O 3.23Å; V762-S782 PolarHBondContact N-O 3.15Å; V762-S782 WeakPolarHBondContact O-CB 3.43Å; N778-S782 WeakPolarHBondContact O-CA 3.48Å; N778-S782 PolarHBondContact O-N 3.04Å
783K93.8Very high92.5Very high47 Ų4769.5 Ų69.520%0.20437%0.369CS..EExtended strand (participates in β ladder)trans-133.8139-175.2-72166.4-162.2170.80113.3L759 V760 P761 W777 N778 Q781L759-K783 HydrophobicContact CD1-CB 4.02Å; L759-K783 HydrophobicContact CD1-CD 4.07Å; L759-K783 HydrophobicContact CD1-CG 4.41Å; L759-K783 HydrophobicContact CD2-CD 4.24Å; L759-K783 HydrophobicContact CG-CD 4.28Å; V760-K783 CarbonylContact O-C 3.56Å; V760-K783 WeakPolarHBondContact O-CA 3.28Å; P761-K783 HydrophobicContact CB-CG 4.17Å; W777-K783 VanDerWaalsContact CE3-C 3.41Å; W777-K783 VanDerWaalsContact CE3-O 3.32Å; N778-K783 PolarHBondContact N-O 2.99Å; N778-K783 PolarHBondContact O-N 3.31Å; Q781-K783 HydrophobicContact CB-CD 3.86Å; Q781-K783 HydrophobicContact CB-CG 4.28Å; Q781-K783 WeakPolarHBondContact O-CG 3.37Å
784C94.3Very high92.1Very high0 Ų075.8 Ų75.80%039%0.391CS..EExtended strand (participates in β ladder)trans-94.6133.9166.3-175.60000109.9L759 V760 M769 S775 W777 W786 F807L759-C784 WeakPolarHBondContact CA-O 3.42Å; V760-C784 HydrophobicContact CB-CB 4.42Å; V760-C784 PolarHBondContact N-O 3.27Å; V760-C784 PolarHBondContact O-N 3.11Å; M769-C784 HydrophobicContact SD-CB 4.22Å; M769-C784 VanDerWaalsContact SD-SG 3.64Å; S775-C784 WeakPolarHBondContact CB-SG 3.48Å; S775-C784 PolarHBondContact OG-SG 2.7Å; W777-C784 HydrophobicContact CE3-CB 3.98Å; W777-C784 HydrophobicContact CZ3-CB 4.12Å; C784-W786 HydrophobicContact CB-CZ3 4.31Å; C784-W786 VanDerWaalsContact SG-CH2 3.58Å; C784-W786 WeakPolarHBondContact SG-CZ3 3.3Å; C784-F807 HydrophobicContact CB-CE1 3.87Å; C784-F807 HydrophobicContact CB-CZ 3.82Å
785L96.2Very high91.8Very high37 Ų3770.7 Ų70.719%0.19437%0.366CS..EExtended strand (participates in β ladder)trans-125.6117.8177.2175.163.7000110.6Q757 V758 L759 S775 I776 K787Q757-L785 HydrophobicContact CB-CD1 4.17Å; V758-L785 WeakPolarHBondContact O-CA 3.33Å; L759-L785 HydrophobicContact CD1-CB 4.16Å; L759-L785 HydrophobicContact CD1-CD1 4.19Å; S775-L785 WeakPolarHBondContact CB-O 3.4Å; I776-L785 HydrophobicContact CB-CB 4.47Å; I776-L785 PolarHBondContact N-O 3.03Å; I776-L785 PolarHBondContact O-N 2.94Å; L785-K787 HydrophobicContact CG-CG 4.45Å
786W97.2Very high91Very high3 Ų378.1 Ų78.11%0.01140%0.399CS..EExtended strand (participates in β ladder)trans-93.3144.4160.6-71.6-90.7000110.3L736 Q757 V758 V760 P773 C784 L788 L803 A805L736-W786 HydrophobicContact CD2-CH2 4.2Å; L736-W786 HydrophobicContact CD2-CZ3 4.41Å; Q757-W786 WeakPolarHBondContact CA-O 3.37Å; V758-W786 HydrophobicContact CB-CB 4.29Å; V758-W786 HydrophobicContact CB-CE3 4.4Å; V758-W786 HydrophobicContact CG1-CE3 4.3Å; V758-W786 PolarHBondContact N-O 3.04Å; V758-W786 PolarHBondContact O-N 3.33Å; V760-W786 HydrophobicContact CG2-CE3 4.38Å; V760-W786 HydrophobicContact CG2-CZ3 3.75Å; P773-W786 PolarHBondContact O-NE1 2.92Å; C784-W786 HydrophobicContact CB-CZ3 4.31Å; C784-W786 VanDerWaalsContact SG-CH2 3.58Å; C784-W786 WeakPolarHBondContact SG-CZ3 3.3Å; W786-L788 HydrophobicContact CB-CD2 4.16Å; W786-L803 HydrophobicContact CB-CD1 4.03Å; W786-L803 HydrophobicContact CD2-CB 4.39Å; W786-L803 HydrophobicContact CD2-CD1 3.84Å; W786-L803 HydrophobicContact CE3-CD1 4.17Å; W786-L803 HydrophobicContact CG-CD1 3.8Å; W786-L803 HydrophobicContact CZ2-CB 4.27Å; W786-A805 HydrophobicContact CH2-CB 3.6Å; W786-A805 HydrophobicContact CZ2-CB 3.79Å
787K95.4Very high90.5Very high133 Ų13379.4 Ų79.458%0.57841%0.407SS*.EExtended strand (participates in β ladder)trans-118.8124.2161.7-60.4-171.5177.4-175.40106.9I756 Q757 L785I756-K787 WeakPolarHBondContact O-CA 3.4Å; Q757-K787 HydrophobicContact CG-CG 4.23Å; L785-K787 HydrophobicContact CG-CG 4.45Å
788L93.7Very high90Very high28 Ų2882.6 Ų82.615%0.14742%0.424CS..EExtended strand (participates in β ladder)trans-105153.1-178.5-50.7-176.8000109.9Y740 I756 P773 W786 I791 L803Y740-L788 HydrophobicContact CE1-CD1 4Å; I756-L788 HydrophobicContact CB-CB 4.1Å; I756-L788 HydrophobicContact CG2-CB 4.16Å; I756-L788 HydrophobicContact CG2-CD1 4.08Å; I756-L788 HydrophobicContact CG2-CG 4.32Å; I756-L788 PolarHBondContact O-N 2.97Å; P773-L788 HydrophobicContact CG-CD2 4.4Å; W786-L788 HydrophobicContact CB-CD2 4.16Å; L788-I791 HydrophobicContact CD1-CD1 4.22Å; L788-L803 HydrophobicContact CD1-CD1 4.29Å; L788-L803 HydrophobicContact CD1-CD2 4.19Å; L788-L803 HydrophobicContact CD2-CD1 4.34Å; L788-L803 HydrophobicContact CD2-CD2 3.68Å
789S92.6Very high89.7Confident106 Ų10680 Ų8074%0.74141%0.411SS*.  trans-63.6163165.3-54.60000110.7I791S789-I791 PolarHBondContact O-N 3.09Å
790D93.9Very high90Very high91 Ų9176.8 Ų76.849%0.48739%0.39SS..  trans-60133.3-179-57.7-21.9000111.7P752 L753 T754 S795P752-D790 HydrophobicContact CB-CB 4.49Å; L753-D790 CarbonylContact O-C 3.57Å; L753-D790 WeakPolarHBondContact O-CA 3.37Å; L753-D790 WeakPolarHBondContact O-CB 3.5Å; T754-D790 WeakPolarHBondContact CA-OD1 3.21Å; T754-D790 VanDerWaalsContact CB-OD1 3.32Å; T754-D790 WeakPolarHBondContact CB-OD1 3.29Å; T754-D790 HydrophobicContact CG2-CB 4.19Å; D790-S795 PolarHBondContact O-OG 3.35Å
791I94.4Very high90.3Very high9 Ų969.6 Ų69.65%0.04636%0.362CS..BIsolated β-bridgetrans-106.9132-175.5-70.7172.4000109.7L721 Y740 Y742 P752 L753 I756 L788 S789L721-I791 HydrophobicContact CD1-CD1 4.47Å; Y740-I791 HydrophobicContact CD2-CD1 3.86Å; Y740-I791 HydrophobicContact CE2-CD1 3.41Å; Y740-I791 VanDerWaalsContact CE2-CD1 3.41Å; Y740-I791 HydrophobicContact CE2-CG1 4.48Å; Y742-I791 HydrophobicContact CD2-CG2 3.99Å; Y742-I791 HydrophobicContact CG-CG2 4.19Å; P752-I791 CarbonylContact C-O 3.41Å; P752-I791 WeakPolarHBondContact CA-O 3.23Å; L753-I791 PolarHBondContact N-O 3.48Å; L753-I791 PolarHBondContact O-N 3.13Å; I756-I791 HydrophobicContact CD1-CB 3.59Å; I756-I791 HydrophobicContact CD1-CD1 3.61Å; I756-I791 HydrophobicContact CD1-CG1 3.58Å; L788-I791 HydrophobicContact CD1-CD1 4.22Å; S789-I791 PolarHBondContact O-N 3.09Å
792S92.6Very high90.7Very high24 Ų2466 Ų6617%0.16835%0.349CS..  trans-150170.7177.369.30000110.7K794 S795S792-K794 PolarHBondContact O-N 2.92Å; S792-K794 VanDerWaalsContact O-N 3.13Å; S792-K794 PolarHBondContact OG-N 3.21Å; S792-S795 PolarHBondContact N-OG 3.08Å; S792-S795 VanDerWaalsContact O-CB 3.25Å; S792-S795 WeakPolarHBondContact O-CB 3.44Å; S792-S795 PolarHBondContact O-N 3.24Å; S792-S795 PolarHBondContact O-OG 2.87Å; S792-S795 PolarHBondContact OG-N 3.41Å; S792-S795 PolarHBondContact OG-OG 2.92Å
793E88.2Confident90.9Very high117 Ų11763.7 Ų63.755%0.54733%0.333SS..THydrogen-bonded Turntrans-51.2-30.7167.9-176.4-176-140.500113.2Y742Y742-E793 HydrophobicContact CD1-CB 4.32Å; Y742-E793 HydrophobicContact CE1-CB 3.92Å; Y742-E793 VanDerWaalsContact CE1-N 3.34Å
794K85.4Confident91Very high190 Ų19067.2 Ų67.283%0.82635%0.345SS*.THydrogen-bonded Turntrans-88.4-1.7-179.1-60.3177.2-175.11720113.6S792S792-K794 PolarHBondContact O-N 2.92Å; S792-K794 VanDerWaalsContact O-N 3.13Å; S792-K794 PolarHBondContact OG-N 3.21Å
795S85.1Confident91Very high36 Ų3667.6 Ų67.625%0.25235%0.348SS..SBendtrans-76.4160.2173.9-56.10000110.3D790 S792 E798D790-S795 PolarHBondContact O-OG 3.35Å; S792-S795 PolarHBondContact N-OG 3.08Å; S792-S795 VanDerWaalsContact O-CB 3.25Å; S792-S795 WeakPolarHBondContact O-CB 3.44Å; S792-S795 PolarHBondContact O-N 3.24Å; S792-S795 PolarHBondContact O-OG 2.87Å; S792-S795 PolarHBondContact OG-N 3.41Å; S792-S795 PolarHBondContact OG-OG 2.92Å; S795-E798 PolarHBondContact O-N 3.06Å
796E78.4Confident91Very high177 Ų17769.4 Ų69.483%0.82736%0.355SS*.G310 helixtrans-53.1142.6177.8-63.8-176.2172.100111.8E798 G799E796-E798 VanDerWaalsContact C-N 3.3Å; E796-E798 PolarHBondContact O-N 3.28Å; E796-G799 PolarHBondContact O-N 3.07Å
797N82.9Confident90.8Very high128 Ų12869.2 Ų69.268%0.68435%0.354SS*.G310 helixtrans52.439.8-174.7-53.1-53.3000114.4G799 A800N797-G799 PolarHBondContact O-N 3.41Å; N797-A800 VanDerWaalsContact O-CB 3.31Å; N797-A800 WeakPolarHBondContact O-CB 3.28Å; N797-A800 PolarHBondContact O-N 2.91Å
798E83.2Confident90.7Very high130 Ų13066 Ų6661%0.60734%0.341SS*.G310 helixtrans60.627.4177.1-51167.916200113R741 S795 E796 A800R741-E798 IonicContact NH1-OE2 2.67Å; R741-E798 PolarHBondContact NH1-OE2 3.29Å; S795-E798 PolarHBondContact O-N 3.06Å; E796-E798 VanDerWaalsContact C-N 3.3Å; E796-E798 PolarHBondContact O-N 3.28Å; E798-A800 VanDerWaalsContact C-N 3.32Å
799G85.4Confident90.6Very high2 Ų265.4 Ų65.42%0.02134%0.338CS..G310 helixtrans7320.8-173.800000114.3Y742 E796 N797Y742-G799 PolarHBondContact N-O 2.75Å; Y742-G799 VanDerWaalsContact N-O 3.07Å; E796-G799 PolarHBondContact O-N 3.07Å; N797-G799 PolarHBondContact O-N 3.41Å
800A92.4Very high90.4Very high20 Ų2063.6 Ų63.617%0.16533%0.325CS..EExtended strand (participates in β ladder)trans-99.7144.5170.700000112.5Y740 R741 N797 E798Y740-A800 CarbonylContact O-C 3.57Å; Y740-A800 VanDerWaalsContact O-CA 3.25Å; Y740-A800 WeakPolarHBondContact O-CA 3.5Å; R741-A800 HydrophobicContact CB-CB 4.16Å; R741-A800 HydrophobicContact CG-CB 4.29Å; N797-A800 VanDerWaalsContact O-CB 3.31Å; N797-A800 WeakPolarHBondContact O-CB 3.28Å; N797-A800 PolarHBondContact O-N 2.91Å; E798-A800 VanDerWaalsContact C-N 3.32Å
801G93.4Very high89.9Confident24 Ų2465.3 Ų65.325%0.24734%0.335CS..EExtended strand (participates in β ladder)trans-163.9-179-177.700000114.4D739 Y740D739-G801 WeakPolarHBondContact CA-O 3.4Å; Y740-G801 PolarHBondContact N-O 2.67Å; Y740-G801 PolarHBondContact O-N 3.38Å
802S94.8Very high89.2Confident34 Ų3466.2 Ų66.224%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-142.6115.9-173-168.10000109.5L738 D739 R804L738-S802 CarbonylContact O-C 3.59Å; L738-S802 WeakPolarHBondContact O-CA 3.4Å; D739-S802 VanDerWaalsContact OD1-CB 3.22Å; D739-S802 WeakPolarHBondContact OD1-CB 3.48Å; D739-S802 PolarHBondContact OD1-OG 2.97Å; S802-R804 PolarHBondContact OG-NE 3.18Å; S802-R804 VanDerWaalsContact OG-NE 3.07Å; S802-R804 PolarHBondContact OG-NH2 3.03Å
803L95.4Very high88.6Confident1 Ų168.7 Ų68.71%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-93.7135.4169.3-49.3-174000108.9R737 L738 Y740 V758 P773 W786 L788R737-L803 CarbonylContact C-O 3.59Å; R737-L803 WeakPolarHBondContact CA-O 3.5Å; L738-L803 HydrophobicContact CB-CB 4.45Å; L738-L803 HydrophobicContact CD2-CD1 4.26Å; L738-L803 PolarHBondContact N-O 3.33Å; L738-L803 PolarHBondContact O-N 2.73Å; Y740-L803 HydrophobicContact CD1-CG 4.25Å; Y740-L803 HydrophobicContact CE1-CD2 3.76Å; Y740-L803 HydrophobicContact CE1-CG 3.9Å; V758-L803 HydrophobicContact CB-CD1 4.06Å; V758-L803 HydrophobicContact CG1-CD1 4.3Å; V758-L803 HydrophobicContact CG2-CD1 3.81Å; P773-L803 HydrophobicContact CG-CD2 3.77Å; W786-L803 HydrophobicContact CB-CD1 4.03Å; W786-L803 HydrophobicContact CD2-CB 4.39Å; W786-L803 HydrophobicContact CD2-CD1 3.84Å; W786-L803 HydrophobicContact CE3-CD1 4.17Å; W786-L803 HydrophobicContact CG-CD1 3.8Å; W786-L803 HydrophobicContact CZ2-CB 4.27Å; L788-L803 HydrophobicContact CD1-CD1 4.29Å; L788-L803 HydrophobicContact CD1-CD2 4.19Å; L788-L803 HydrophobicContact CD2-CD1 4.34Å; L788-L803 HydrophobicContact CD2-CD2 3.68Å
804R95.8Very high88.5Confident122 Ų12263.4 Ų63.446%0.4634%0.337SS..EExtended strand (participates in β ladder)trans-133.9138.7-179.4-58.8-179-170.7176.14.1110.2L736 R737 S771 L772 S802L736-R804 VanDerWaalsContact O-CA 3.31Å; L736-R804 WeakPolarHBondContact O-CA 3.28Å; R737-R804 HydrophobicContact CB-CG 4.37Å; R737-R804 HydrophobicContact CG-CG 4.28Å; S771-R804 CarbonylContact C-O 3.55Å; S771-R804 VanDerWaalsContact CA-O 3.29Å; S771-R804 WeakPolarHBondContact CA-O 3.4Å; L772-R804 PolarHBondContact N-O 3.48Å; L772-R804 PolarHBondContact O-N 2.93Å; S802-R804 PolarHBondContact OG-NE 3.18Å; S802-R804 VanDerWaalsContact OG-NE 3.07Å; S802-R804 PolarHBondContact OG-NH2 3.03Å
805A95.7Very high88.5Confident8 Ų859.4 Ų59.47%0.06633%0.325CS..EExtended strand (participates in β ladder)trans-138.5153.3169.900000111L736 Q770 W786 F807L736-A805 PolarHBondContact N-O 3.39Å; L736-A805 PolarHBondContact O-N 2.83Å; Q770-A805 CarbonylContact O-C 3.6Å; Q770-A805 VanDerWaalsContact O-CA 3.24Å; Q770-A805 WeakPolarHBondContact O-CA 3.48Å; W786-A805 HydrophobicContact CH2-CB 3.6Å; W786-A805 HydrophobicContact CZ2-CB 3.79Å; A805-F807 HydrophobicContact CB-CD2 4.34Å; A805-F807 HydrophobicContact CB-CE1 4.32Å; A805-F807 HydrophobicContact CB-CE2 3.51Å; A805-F807 HydrophobicContact CB-CZ 3.5Å; A805-F807 VanDerWaalsContact CB-CZ 3.5Å
806K94.8Very high88.5Confident74 Ų7461.2 Ų61.232%0.32234%0.336SS..EExtended strand (participates in β ladder)trans-127.8120.5169.3-176.6175.6-175.6-164.60108.3T734 D735 M769 Q770T734-K806 WeakPolarHBondContact O-CA 3.44Å; D735-K806 WeakPolarHBondContact OD1-CG 3.22Å; M769-K806 WeakPolarHBondContact CA-O 3.26Å; Q770-K806 PolarHBondContact N-O 3.35Å; Q770-K806 PolarHBondContact O-N 2.98Å
807F93.8Very high89Confident0 Ų054.2 Ų54.20%031%0.306CS..EExtended strand (participates in β ladder)trans-105.1129.1179.1-54.4-84.5000108.7T733 T734 L736 V762 V766 M769 W777 C784 A805 L809T733-F807 CarbonylContact C-O 3.56Å; T733-F807 WeakPolarHBondContact CA-O 3.43Å; T733-F807 WeakPolarHBondContact CB-O 3.5Å; T734-F807 PolarHBondContact N-O 3.27Å; T734-F807 PolarHBondContact O-N 3.29Å; L736-F807 HydrophobicContact CB-CE2 4.14Å; L736-F807 HydrophobicContact CD2-CE2 4.17Å; V762-F807 HydrophobicContact CG1-CB 4.28Å; V762-F807 HydrophobicContact CG1-CD1 4.42Å; V762-F807 HydrophobicContact CG1-CD2 4.2Å; V762-F807 HydrophobicContact CG1-CG 4.04Å; V762-F807 HydrophobicContact CG2-CD1 4.22Å; V762-F807 HydrophobicContact CG2-CD2 4.07Å; V762-F807 HydrophobicContact CG2-CE1 3.94Å; V762-F807 HydrophobicContact CG2-CE2 3.79Å; V762-F807 HydrophobicContact CG2-CG 4.29Å; V762-F807 HydrophobicContact CG2-CZ 3.72Å; V766-F807 HydrophobicContact CG1-CB 4.2Å; V766-F807 HydrophobicContact CG1-CD1 4.08Å; V766-F807 HydrophobicContact CG2-CB 4.17Å; V766-F807 HydrophobicContact CG2-CD1 4.25Å; M769-F807 HydrophobicContact CB-CD1 4.22Å; M769-F807 HydrophobicContact CB-CE1 4.48Å; M769-F807 HydrophobicContact CG-CD1 3.75Å; M769-F807 HydrophobicContact CG-CE1 3.6Å; M769-F807 HydrophobicContact CG-CZ 4.5Å; M769-F807 HydrophobicContact SD-CD1 4.33Å; M769-F807 HydrophobicContact SD-CE1 3.66Å; M769-F807 HydrophobicContact SD-CZ 4.48Å; W777-F807 HydrophobicContact CE3-CD1 4.39Å; W777-F807 AromaticContact CE3-CE1 3.97Å; W777-F807 HydrophobicContact CE3-CE1 3.97Å; W777-F807 HydrophobicContact CZ3-CD1 4.12Å; W777-F807 AromaticContact CZ3-CE1 3.79Å; W777-F807 HydrophobicContact CZ3-CE1 3.79Å; C784-F807 HydrophobicContact CB-CE1 3.87Å; C784-F807 HydrophobicContact CB-CZ 3.82Å; A805-F807 HydrophobicContact CB-CD2 4.34Å; A805-F807 HydrophobicContact CB-CE1 4.32Å; A805-F807 HydrophobicContact CB-CE2 3.51Å; A805-F807 HydrophobicContact CB-CZ 3.5Å; A805-F807 VanDerWaalsContact CB-CZ 3.5Å; F807-L809 HydrophobicContact CB-CD2 4.35Å
808E92.3Very high89.4Confident64 Ų6450.4 Ų50.430%0.29929%0.288SS..EExtended strand (participates in β ladder)trans-95.7131.3171.8-48.9-169.4138.200108.4T733 V766 T767 N768T733-E808 HydrophobicContact CG2-CB 4.47Å; T733-E808 HydrophobicContact CG2-CG 4.16Å; V766-E808 CarbonylContact C-O 3.49Å; V766-E808 VanDerWaalsContact CA-O 3.31Å; V766-E808 WeakPolarHBondContact CA-O 3.49Å; T767-E808 PolarHBondContact N-O 2.7Å; T767-E808 PolarHBondContact OG1-O 3.4Å; N768-E808 HydrophobicContact CB-CB 4.04Å; N768-E808 HydrophobicContact CB-CG 4.09Å; N768-E808 WeakPolarHBondContact CB-OE2 3.35Å; N768-E808 PolarHBondContact ND2-OE2 2.88Å; N768-E808 PolarHBondContact O-N 3.13Å
809L91.9Very high90Very high17 Ų1744.2 Ų44.29%0.08926%0.259CS..EExtended strand (participates in β ladder)trans-111.5139.1-167.1-56.7-177.2000111.5S732 D763 V766 F807S732-L809 PolarHBondContact O-N 3.46Å; D763-L809 WeakPolarHBondContact O-CD2 3.41Å; V766-L809 HydrophobicContact CG2-CD2 3.9Å; F807-L809 HydrophobicContact CB-CD2 4.35Å
810S87.9Confident90.5Very high68 Ų6845.9 Ų45.948%0.47627%0.272SS..SBendtrans-80.4-30.2167.855.70000113G764 G765G764-S810 PolarHBondContact O-N 2.83Å; G764-S810 PolarHBondContact O-OG 2.67Å; G765-S810 WeakPolarHBondContact O-CB 3.48Å; G765-S810 PolarHBondContact O-N 3.34Å; G765-S810 PolarHBondContact O-OG 3Å
811N83.2Confident90.8Very high127 Ų12745 Ų4568%0.67927%0.265SS*.SBendtrans-138.457.3-173.4-66.5-80000110.8G764G764-N811 VanDerWaalsContact CA-O 3.3Å; G764-N811 WeakPolarHBondContact CA-O 3.2Å; G764-N811 CarbonylContact O-C 3.59Å; G764-N811 WeakPolarHBondContact O-CA 3.33Å; G764-N811 PolarHBondContact O-N 2.89Å
812G80.3Confident90.9Very high27 Ų2748.8 Ų48.828%0.27828%0.276SS..  trans-83.1174.1177.800000114.6P731P731-G812 CarbonylContact O-C 3.54Å; P731-G812 VanDerWaalsContact O-CA 3.26Å; P731-G812 WeakPolarHBondContact O-CA 3.26Å
813P80.4Confident91.1Very high77 Ų7747.3 Ų47.350%0.527%0.265SS..PPolyproline II helixcis-75.2150.50.732-36000112.9C729 T730C729-P813 HydrophobicContact CB-CB 4.29Å; T730-P813 WeakPolarHBondContact O-CA 3.47Å
814S85.1Confident91.1Very high5 Ų550.1 Ų50.14%0.03528%0.279CS..PPolyproline II helixtrans-71.9156.4171660000111.7C729 T734 D763C729-S814 WeakPolarHBondContact CB-O 3.36Å; C729-S814 PolarHBondContact SG-O 3.35Å; C729-S814 PolarHBondContact SG-OG 3.49Å; C729-S814 VanDerWaalsContact SG-OG 3.38Å; T734-S814 WeakPolarHBondContact CB-OG 3.38Å; T734-S814 WeakPolarHBondContact CG2-OG 3.35Å; T734-S814 PolarHBondContact OG1-OG 3.26Å; D763-S814 WeakPolarHBondContact OD1-CA 3.49Å; D763-S814 WeakPolarHBondContact OD1-CB 3.48Å
815N85.8Confident91.2Very high107 Ų10744.4 Ų44.457%0.57226%0.258SS*.PPolyproline II helixtrans-89.1131.4169.9-62.3-78.7000109.8D763 S817D763-N815 PolarHBondContact OD1-N 2.96Å; D763-N815 PolarHBondContact OD2-ND2 3.29Å; N815-S817 PolarHBondContact O-N 3.42Å
816P86.4Confident91.1Very high74 Ų7448.6 Ų48.648%0.48128%0.276SS..PPolyproline II helixtrans-57.2133.6169.1-23.133.8000110.7W727 C860W727-P816 HydrophobicContact CB-CB 4.15Å; W727-P816 HydrophobicContact CB-CG 4.2Å; W727-P816 HydrophobicContact CD2-CB 3.93Å; W727-P816 HydrophobicContact CE3-CB 4.23Å; W727-P816 HydrophobicContact CG-CB 3.91Å; W727-P816 HydrophobicContact CG-CG 4.46Å; P816-C860 HydrophobicContact CB-CB 4.1Å
817S87.3Confident90.8Very high30 Ų3047.5 Ų47.521%0.2129%0.286CS..  trans-133.3152.1-172.364.70000112.4W727 P761 N815 L819W727-S817 VanDerWaalsContact CH2-OG 3.31Å; W727-S817 WeakPolarHBondContact CH2-OG 3.38Å; W727-S817 VanDerWaalsContact CZ2-O 3.27Å; W727-S817 WeakPolarHBondContact CZ2-O 3.5Å; P761-S817 PolarHBondContact O-OG 3.17Å; N815-S817 PolarHBondContact O-N 3.42Å; S817-L819 PolarHBondContact O-N 3.25Å
818T92.7Very high90.8Very high48 Ų4847.6 Ų47.629%0.29429%0.286SS..  trans-58.3117.9175.7-43.30000111.6P761 M857 A858 D859P761-T818 WeakPolarHBondContact CD-O 3.42Å; T818-M857 HydrophobicContact CG2-CB 3.74Å; T818-M857 HydrophobicContact CG2-CG 4.25Å; T818-M857 HydrophobicContact CG2-SD 4.09Å; T818-A858 WeakPolarHBondContact CA-O 3.29Å; T818-D859 WeakPolarHBondContact CA-OD1 3.34Å; T818-D859 WeakPolarHBondContact CB-OD1 3.29Å; T818-D859 WeakPolarHBondContact CG2-OD1 3.42Å; T818-D859 PolarHBondContact N-OD1 3.24Å; T818-D859 PolarHBondContact OG1-OD1 3.25Å
819L94.8Very high91Very high0 Ų044.5 Ų44.50%027%0.272CS..EExtended strand (participates in β ladder)trans-85.4151.9166.265.980.8000110.7V725 L738 V758 V760 S817 V821 M857 A858V725-L819 HydrophobicContact CG1-CD2 3.8Å; V725-L819 HydrophobicContact CG2-CD2 4.06Å; V725-L819 HydrophobicContact CG2-CG 4.49Å; L738-L819 HydrophobicContact CB-CD2 4.36Å; L738-L819 HydrophobicContact CD1-CD2 4.34Å; L738-L819 HydrophobicContact CD2-CD1 4.25Å; L738-L819 HydrophobicContact CD2-CD2 4.14Å; V758-L819 HydrophobicContact CG1-CD1 4.44Å; V760-L819 HydrophobicContact CB-CB 4.3Å; V760-L819 HydrophobicContact CG1-CB 4.19Å; V760-L819 HydrophobicContact CG2-CB 3.79Å; V760-L819 HydrophobicContact CG2-CD2 4.16Å; S817-L819 PolarHBondContact O-N 3.25Å; L819-V821 HydrophobicContact CD1-CG2 3.79Å; L819-M857 CarbonylContact O-C 3.55Å; L819-M857 VanDerWaalsContact O-CA 3.24Å; L819-M857 WeakPolarHBondContact O-CA 3.44Å; L819-A858 HydrophobicContact CD1-CB 3.91Å; L819-A858 HydrophobicContact CG-CB 4.18Å; L819-A858 PolarHBondContact N-O 3.4Å; L819-A858 PolarHBondContact O-N 3.03Å
820A96.5Very high91.2Very high36 Ų3643.9 Ų43.930%0.29827%0.269SS..EExtended strand (participates in β ladder)trans-115.4142.7174.900000110.2L759 Y856L759-A820 PolarHBondContact N-O 3.12Å; L759-A820 PolarHBondContact O-N 3.46Å; A820-Y856 WeakPolarHBondContact CA-O 3.5Å
821V97.3Very high91.5Very high1 Ų140.6 Ų40.61%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-120.3143.6173.9-175.30000108.9L721 L723 Q757 V758 L819 F823 Y856L721-V821 HydrophobicContact CD2-CG1 4.15Å; L723-V821 HydrophobicContact CD1-CB 4.39Å; L723-V821 HydrophobicContact CD1-CG2 3.61Å; L723-V821 HydrophobicContact CD2-CG2 4.43Å; Q757-V821 CarbonylContact O-C 3.51Å; Q757-V821 WeakPolarHBondContact O-CA 3.37Å; V758-V821 HydrophobicContact CG1-CG2 4.33Å; V758-V821 HydrophobicContact CG2-CG1 4.22Å; V758-V821 HydrophobicContact CG2-CG2 4.12Å; L819-V821 HydrophobicContact CD1-CG2 3.79Å; V821-F823 HydrophobicContact CG1-CD1 4.06Å; V821-F823 HydrophobicContact CG1-CE1 4.46Å; V821-Y856 HydrophobicContact CB-CD1 4.11Å; V821-Y856 PolarHBondContact N-O 2.9Å; V821-Y856 WeakPolarHBondContact O-CB 3.4Å
822Q97.2Very high92Very high104 Ų10434.6 Ų34.649%0.48621%0.214SC..EExtended strand (participates in β ladder)trans-127.3140.7172.1-65.8-177.3-12.500110.2I756 Q757 T853I756-Q822 CarbonylContact C-O 3.58Å; I756-Q822 VanDerWaalsContact CA-O 3.3Å; I756-Q822 WeakPolarHBondContact CA-O 3.42Å; Q757-Q822 HydrophobicContact CB-CB 4.48Å; Q757-Q822 PolarHBondContact N-O 3.15Å; Q757-Q822 PolarHBondContact O-N 2.97Å; Q822-T853 VanDerWaalsContact CA-OG1 3.26Å; Q822-T853 WeakPolarHBondContact CA-OG1 3.4Å
823F97.4Very high92.7Very high4 Ų433.3 Ų33.32%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-161.7166.6170.956.8-103.5000110.2V603 P720 L721 L753 I756 V821 F851 T853 Y856V603-F823 HydrophobicContact CG1-CE2 4.19Å; V603-F823 HydrophobicContact CG1-CZ 4.31Å; P720-F823 HydrophobicContact CB-CE2 4.07Å; P720-F823 HydrophobicContact CB-CZ 4.14Å; P720-F823 HydrophobicContact CG-CE2 4.28Å; P720-F823 HydrophobicContact CG-CZ 4.42Å; L721-F823 HydrophobicContact CB-CD1 4.36Å; L721-F823 HydrophobicContact CB-CE1 3.7Å; L721-F823 HydrophobicContact CB-CZ 4.12Å; L721-F823 HydrophobicContact CD2-CD1 3.94Å; L721-F823 HydrophobicContact CD2-CE1 3.99Å; L753-F823 HydrophobicContact CB-CB 4.39Å; L753-F823 HydrophobicContact CD1-CD1 4.49Å; L753-F823 HydrophobicContact CD1-CD2 4.11Å; L753-F823 HydrophobicContact CD1-CE2 4.22Å; L753-F823 HydrophobicContact CD1-CG 4.26Å; L753-F823 HydrophobicContact CD1-CZ 4.45Å; L753-F823 HydrophobicContact CD2-CD2 3.91Å; L753-F823 HydrophobicContact CD2-CE2 4.14Å; L753-F823 HydrophobicContact CG-CD2 4.4Å; I756-F823 HydrophobicContact CG1-CB 4.01Å; V821-F823 HydrophobicContact CG1-CD1 4.06Å; V821-F823 HydrophobicContact CG1-CE1 4.46Å; F823-F851 HydrophobicContact CD2-CE2 4.35Å; F823-F851 HydrophobicContact CE2-CD2 4.47Å; F823-F851 AromaticContact CE2-CE2 3.99Å; F823-F851 HydrophobicContact CE2-CE2 3.99Å; F823-T853 HydrophobicContact CB-CG2 4.45Å; F823-T853 HydrophobicContact CD1-CG2 3.46Å; F823-T853 VanDerWaalsContact CD1-CG2 3.46Å; F823-T853 HydrophobicContact CD2-CG2 3.75Å; F823-T853 HydrophobicContact CE1-CG2 3.44Å; F823-T853 VanDerWaalsContact CE1-CG2 3.44Å; F823-T853 HydrophobicContact CE2-CG2 3.73Å; F823-T853 HydrophobicContact CG-CG2 3.61Å; F823-T853 HydrophobicContact CZ-CG2 3.58Å; F823-T853 PolarHBondContact N-OG1 3.28Å; F823-T853 VanDerWaalsContact N-OG1 3.12Å; F823-T853 PolarHBondContact O-N 3.21Å; F823-T853 PolarHBondContact O-OG1 3.13Å; F823-Y856 HydrophobicContact CE1-CD1 4.1Å; F823-Y856 HydrophobicContact CE1-CD2 4.21Å; F823-Y856 AromaticContact CE1-CE1 3.81Å; F823-Y856 HydrophobicContact CE1-CE1 3.81Å; F823-Y856 AromaticContact CE1-CE2 3.95Å; F823-Y856 HydrophobicContact CE1-CE2 3.95Å; F823-Y856 HydrophobicContact CE1-CG 4.27Å; F823-Y856 AromaticContact CE1-CZ 3.72Å; F823-Y856 HydrophobicContact CZ-CD2 4.04Å; F823-Y856 HydrophobicContact CZ-CE1 4.25Å; F823-Y856 AromaticContact CZ-CE2 3.57Å; F823-Y856 HydrophobicContact CZ-CE2 3.57Å; F823-Y856 AromaticContact CZ-CZ 3.67Å
824M96.8Very high93.4Very high60 Ų6031.4 Ų31.430%0.29619%0.186SC..EExtended strand (participates in β ladder)trans-141.6162.917260-175.1-7300111.7L753 T754 N755 E826 F851 A852L753-M824 CarbonylContact C-O 3.6Å; L753-M824 WeakPolarHBondContact CA-O 3.31Å; T754-M824 PolarHBondContact N-O 3.23Å; T754-M824 PolarHBondContact O-N 2.93Å; T754-M824 PolarHBondContact OG1-O 3.35Å; N755-M824 HydrophobicContact CB-CG 4.33Å; N755-M824 HydrophobicContact CB-SD 4.48Å; M824-E826 HydrophobicContact CE-CG 4.08Å; M824-F851 CarbonylContact C-O 3.57Å; M824-F851 WeakPolarHBondContact CA-O 3.44Å; M824-A852 HydrophobicContact CB-CB 4.16Å
825N96.6Very high93.9Very high2 Ų231.4 Ų31.41%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-134.7141.4168.5172.5-94.8000108.8P752 L753 S828 R850 F851P752-N825 PolarHBondContact O-ND2 3.43Å; L753-N825 HydrophobicContact CD2-CB 4.35Å; N825-S828 WeakPolarHBondContact OD1-CB 3.48Å; N825-S828 PolarHBondContact OD1-N 2.73Å; N825-S828 VanDerWaalsContact OD1-N 3.1Å; N825-R850 VanDerWaalsContact O-CA 3.28Å; N825-R850 WeakPolarHBondContact O-CA 3.3Å; N825-R850 VanDerWaalsContact O-CB 3.23Å; N825-R850 WeakPolarHBondContact O-CB 3.32Å; N825-F851 HydrophobicContact CB-CD1 3.89Å; N825-F851 HydrophobicContact CB-CD2 4.16Å; N825-F851 HydrophobicContact CB-CE1 3.43Å; N825-F851 VanDerWaalsContact CB-CE1 3.43Å; N825-F851 HydrophobicContact CB-CE2 3.72Å; N825-F851 HydrophobicContact CB-CG 4.24Å; N825-F851 HydrophobicContact CB-CZ 3.33Å; N825-F851 PolarHBondContact N-O 3.08Å; N825-F851 PolarHBondContact O-N 3.16Å
826E93.8Very high94.3Very high95 Ų9529.4 Ų29.444%0.44418%0.175SC..EExtended strand (participates in β ladder)trans-116.1135.9163.3-56.3-147.5131.500108.8M824 K848 R850M824-E826 HydrophobicContact CE-CG 4.08Å; E826-K848 WeakPolarHBondContact OE1-CE 3.47Å; E826-K848 IonicContact OE1-NZ 2.64Å; E826-K848 PolarHBondContact OE1-NZ 3.23Å; E826-K848 IonicContact OE2-NZ 2.64Å; E826-K848 PolarHBondContact OE2-NZ 3.38Å; E826-R850 HydrophobicContact CG-CB 4.29Å
827G90.2Very high94.7Very high52 Ų5227.6 Ų27.654%0.53616%0.161SC..SBendtrans120.3-30.3-177.600000114.4K849G827-K849 PolarHBondContact N-O 3.31Å
828S93.7Very high95Very high1 Ų129.6 Ų29.61%0.00717%0.167CC..  trans-124.2161.2-177.1-163.60000113.8D748 S749 N825 K849 R850D748-S828 PolarHBondContact N-OG 3.01Å; S749-S828 PolarHBondContact N-OG 3.24Å; S749-S828 VanDerWaalsContact O-CB 3.24Å; S749-S828 WeakPolarHBondContact O-CB 3.45Å; S749-S828 PolarHBondContact O-OG 3.08Å; N825-S828 WeakPolarHBondContact OD1-CB 3.48Å; N825-S828 PolarHBondContact OD1-N 2.73Å; N825-S828 VanDerWaalsContact OD1-N 3.1Å; S828-K849 CarbonylContact O-C 3.51Å; S828-R850 CarbonylContact O-C 3.54Å; S828-R850 WeakPolarHBondContact O-CA 3.31Å; S828-R850 PolarHBondContact O-N 2.86Å
829T95.4Very high94.7Very high0 Ų030.5 Ų30.50%019%0.186CC..  trans-106.6167.5155.447.40000109.9F599 E601 D748 G832 K849F599-T829 HydrophobicContact CB-CG2 3.89Å; E601-T829 HydrophobicContact CG-CG2 4.33Å; E601-T829 WeakPolarHBondContact OE1-CB 3.5Å; D748-T829 WeakPolarHBondContact CB-O 3.43Å; D748-T829 PolarHBondContact N-O 2.81Å; T829-G832 WeakPolarHBondContact OG1-CA 3.48Å; T829-G832 PolarHBondContact OG1-N 3.29Å; T829-K849 HydrophobicContact CG2-CB 4.13Å; T829-K849 HydrophobicContact CG2-CD 4.19Å; T829-K849 HydrophobicContact CG2-CG 4.17Å
830L95.7Very high94.4Very high3 Ų336.8 Ų36.82%0.01622%0.224CC..SBendtrans-92.4-32.9169.1-52.1-179.2000110.9E601 V603 I619 R653 P720 S746 M747 F851E601-L830 WeakPolarHBondContact OE2-CA 3.5Å; E601-L830 VanDerWaalsContact OE2-CB 3.27Å; E601-L830 WeakPolarHBondContact OE2-CB 3.41Å; E601-L830 PolarHBondContact OE2-N 2.93Å; V603-L830 HydrophobicContact CB-CD1 3.74Å; V603-L830 HydrophobicContact CG1-CD1 4.2Å; V603-L830 HydrophobicContact CG2-CD1 4.22Å; I619-L830 HydrophobicContact CD1-CB 4.05Å; I619-L830 HydrophobicContact CD1-CD1 3.84Å; I619-L830 HydrophobicContact CG1-CD1 4.05Å; I619-L830 HydrophobicContact CG2-CB 4.43Å; I619-L830 HydrophobicContact CG2-CD1 4.14Å; R653-L830 PolarHBondContact NH1-O 3.48Å; P720-L830 HydrophobicContact CG-CD1 3.98Å; P720-L830 HydrophobicContact CG-CD2 3.59Å; P720-L830 HydrophobicContact CG-CG 4.46Å; S746-L830 WeakPolarHBondContact O-CA 3.41Å; S746-L830 WeakPolarHBondContact O-CD2 3.28Å; M747-L830 HydrophobicContact CG-CD2 3.62Å; L830-F851 HydrophobicContact CD1-CD2 4.33Å; L830-F851 HydrophobicContact CD1-CG 4.3Å; L830-F851 HydrophobicContact CD2-CD1 3.62Å; L830-F851 HydrophobicContact CD2-CD2 4.15Å; L830-F851 HydrophobicContact CD2-CE1 3.47Å; L830-F851 VanDerWaalsContact CD2-CE1 3.47Å; L830-F851 HydrophobicContact CD2-CE2 4.04Å; L830-F851 HydrophobicContact CD2-CG 3.97Å; L830-F851 HydrophobicContact CD2-CZ 3.69Å; L830-F851 HydrophobicContact CG-CB 4.3Å; L830-F851 HydrophobicContact CG-CD1 3.9Å; L830-F851 HydrophobicContact CG-CD2 4.34Å; L830-F851 HydrophobicContact CG-CE1 4.27Å; L830-F851 HydrophobicContact CG-CG 3.94Å
831S95Very high94Very high0 Ų036 Ų360%022%0.22CC..SBendtrans-69.8-29.5175.564.40000114E601 R653 V833E601-S831 WeakPolarHBondContact OE1-CB 3.47Å; E601-S831 PolarHBondContact OE1-N 2.97Å; E601-S831 PolarHBondContact OE1-OG 2.8Å; E601-S831 PolarHBondContact OE2-N 3.42Å; R653-S831 WeakPolarHBondContact CD-O 3.27Å; R653-S831 PolarHBondContact NH1-O 2.97Å; S831-V833 WeakPolarHBondContact OG-CB 3.4Å; S831-V833 VanDerWaalsContact OG-CG2 3.26Å; S831-V833 WeakPolarHBondContact OG-CG2 3.21Å; S831-V833 PolarHBondContact OG-N 3.28Å
832G93.9Very high93.8Very high1 Ų136.6 Ų36.61%0.0122%0.222CC..  trans72.711.2-166.700000114.5N650 D748 T829N650-G832 WeakPolarHBondContact CB-O 3.3Å; N650-G832 PolarHBondContact ND2-O 3.28Å; D748-G832 VanDerWaalsContact CG-CA 3.45Å; D748-G832 VanDerWaalsContact OD1-CA 3.3Å; D748-G832 WeakPolarHBondContact OD1-CA 3.48Å; T829-G832 WeakPolarHBondContact OG1-CA 3.48Å; T829-G832 PolarHBondContact OG1-N 3.29Å
833V95.1Very high93.7Very high0 Ų036.1 Ų36.10%022%0.216CC..  trans-60.2142.6173.6171.90000110.8F599 L648 L654 Y709 S831 K849F599-V833 HydrophobicContact CD1-CG1 4.17Å; F599-V833 HydrophobicContact CE1-CG1 3.65Å; F599-V833 HydrophobicContact CZ-CG1 4.22Å; L648-V833 HydrophobicContact CD1-CG1 3.54Å; L648-V833 HydrophobicContact CG-CG1 4.07Å; L654-V833 HydrophobicContact CD1-CG2 3.7Å; L654-V833 HydrophobicContact CD2-CG2 3.81Å; L654-V833 HydrophobicContact CG-CG2 3.95Å; Y709-V833 HydrophobicContact CE2-CG2 4.45Å; S831-V833 WeakPolarHBondContact OG-CB 3.4Å; S831-V833 VanDerWaalsContact OG-CG2 3.26Å; S831-V833 WeakPolarHBondContact OG-CG2 3.21Å; S831-V833 PolarHBondContact OG-N 3.28Å; V833-K849 PolarHBondContact O-NZ 3.12Å
834D94.8Very high93.5Very high36 Ų3638.8 Ų38.819%0.19323%0.23CC..EExtended strand (participates in β ladder)trans-149.4172.8173.5-141.3-29.3000111.6K649 N847 K849K649-D834 HydrophobicContact CB-CB 4.48Å; K649-D834 PolarHBondContact N-O 3.28Å; D834-N847 PolarHBondContact OD1-ND2 3.28Å; D834-K849 VanDerWaalsContact CG-CE 3.48Å; D834-K849 WeakPolarHBondContact OD2-CE 3.43Å; D834-K849 IonicContact OD2-NZ 3.26Å; D834-K849 PolarHBondContact OD2-NZ 3.14Å
835M94.7Very high93.4Very high5 Ų538.9 Ų38.93%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-130.3124.3-179.1179.9-166.370.300112.5V597 F599 M623 L625 F646 K647 L837 L844V597-M835 HydrophobicContact CB-CE 3.85Å; V597-M835 HydrophobicContact CG1-CE 4.06Å; V597-M835 HydrophobicContact CG2-CE 4.22Å; V597-M835 HydrophobicContact CG2-SD 4.4Å; F599-M835 HydrophobicContact CE2-CB 4.43Å; F599-M835 HydrophobicContact CZ-CB 3.92Å; M623-M835 HydrophobicContact CE-CB 4.16Å; M623-M835 HydrophobicContact CE-CG 3.99Å; M623-M835 HydrophobicContact CE-SD 3.32Å; M623-M835 WeakPolarHBondContact CE-SD 3.36Å; L625-M835 HydrophobicContact CD2-CE 4.07Å; L625-M835 HydrophobicContact CD2-SD 4.2Å; F646-M835 HydrophobicContact CB-CG 3.62Å; F646-M835 HydrophobicContact CB-SD 3.73Å; F646-M835 HydrophobicContact CD1-SD 4.45Å; F646-M835 HydrophobicContact CD2-CG 3.71Å; F646-M835 HydrophobicContact CD2-SD 4.03Å; F646-M835 HydrophobicContact CG-CG 3.91Å; F646-M835 HydrophobicContact CG-SD 3.83Å; K647-M835 WeakPolarHBondContact O-CA 3.46Å; M835-L837 HydrophobicContact CE-CD2 3.55Å; M835-L837 HydrophobicContact CE-CG 4.05Å; M835-L837 HydrophobicContact SD-CD2 3.96Å; M835-L844 HydrophobicContact CE-CD1 3.5Å; M835-L844 VanDerWaalsContact CE-CD1 3.5Å; M835-L844 HydrophobicContact CE-CD2 4.23Å
836D94.7Very high93.3Very high66 Ų6643.5 Ų43.535%0.35326%0.261SS..EExtended strand (participates in β ladder)trans-99.3124.4164-77.921.2000110.4F646 K647 K649 Q838F646-D836 CarbonylContact C-O 3.54Å; F646-D836 VanDerWaalsContact CA-O 3.31Å; F646-D836 WeakPolarHBondContact CA-O 3.47Å; K647-D836 HydrophobicContact CB-CB 4.46Å; K647-D836 PolarHBondContact N-O 3.38Å; K647-D836 PolarHBondContact O-N 3.03Å; K649-D836 VanDerWaalsContact CE-OD1 3.26Å; K649-D836 WeakPolarHBondContact CE-OD1 3.32Å; K649-D836 WeakPolarHBondContact CE-OD2 3.47Å; K649-D836 IonicContact NZ-OD1 2.69Å; K649-D836 PolarHBondContact NZ-OD1 3.38Å; K649-D836 IonicContact NZ-OD2 3.76Å; K649-D836 PolarHBondContact NZ-OD2 3.02Å; D836-Q838 PolarHBondContact O-NE2 3.38Å; D836-Q838 VanDerWaalsContact O-NE2 3.15Å
837L94.9Very high93.3Very high36 Ų3641.7 Ų41.719%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-68.4139.7167.8-62-179.6000110.4I595 L644 F646 M835 L844I595-L837 HydrophobicContact CD1-CD1 4.21Å; I595-L837 HydrophobicContact CD1-CD2 4.04Å; I595-L837 HydrophobicContact CG1-CD1 4.28Å; L644-L837 HydrophobicContact CD1-CD2 3.96Å; F646-L837 HydrophobicContact CB-CD2 4.21Å; M835-L837 HydrophobicContact CE-CD2 3.55Å; M835-L837 HydrophobicContact CE-CG 4.05Å; M835-L837 HydrophobicContact SD-CD2 3.96Å; L837-L844 HydrophobicContact CD1-CB 4.16Å; L837-L844 HydrophobicContact CD1-CD1 4.49Å
838Q93.2Very high93.6Very high72 Ų7242.7 Ų42.734%0.33624%0.244SC..EExtended strand (participates in β ladder)trans-108.5131.9177.1-53.1-57.3-56.600109.9T645 K647 D836T645-Q838 HydrophobicContact CG2-CB 3.77Å; T645-Q838 HydrophobicContact CG2-CG 4.15Å; T645-Q838 PolarHBondContact O-N 2.88Å; K647-Q838 HydrophobicContact CB-CG 4.31Å; D836-Q838 PolarHBondContact O-NE2 3.38Å; D836-Q838 VanDerWaalsContact O-NE2 3.15Å
839G87.9Confident93.8Very high66 Ų6643.7 Ų43.768%0.6825%0.248SC*.SBendtrans84.1172.6-174.100000114
840T87.1Confident93.8Very high132 Ų13247.9 Ų47.981%0.8126%0.264SS*.SBendtrans-98.9-14.7-168.749.10000115.2A592 Y842A592-T840 VanDerWaalsContact CB-O 3.25Å; A592-T840 WeakPolarHBondContact CB-O 3.49Å; T840-Y842 PolarHBondContact O-N 3.27Å; T840-Y842 VanDerWaalsContact O-N 3.16Å
841G88.9Confident93.9Very high20 Ų2047.9 Ų47.921%0.20626%0.264CS..SBendtrans-69.6-10.3-174.300000115.4L593L593-G841 PolarHBondContact N-O 3.02Å
842Y93.7Very high94Very high14 Ų1449.7 Ų49.76%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-134.3150.4178.8-61.1-88000110.7L593 I595 I631 F635 A642 L644 M682 T840L593-Y842 HydrophobicContact CB-CD1 3.83Å; L593-Y842 HydrophobicContact CB-CE1 4.06Å; L593-Y842 HydrophobicContact CD1-CD1 4.46Å; L593-Y842 HydrophobicContact CD1-CE1 3.87Å; L593-Y842 CarbonylContact O-C 3.52Å; L593-Y842 WeakPolarHBondContact O-CA 3.47Å; I595-Y842 HydrophobicContact CD1-CD1 4.47Å; I595-Y842 HydrophobicContact CG2-CD1 4.38Å; I631-Y842 HydrophobicContact CD1-CE1 4.18Å; F635-Y842 HydrophobicContact CE1-CE1 4.19Å; F635-Y842 VanDerWaalsContact CE1-OH 3.32Å; F635-Y842 WeakPolarHBondContact CE1-OH 3.39Å; F635-Y842 HydrophobicContact CZ-CE1 4.02Å; A642-Y842 HydrophobicContact CB-CE2 4.12Å; A642-Y842 VanDerWaalsContact O-CE2 3.24Å; A642-Y842 WeakPolarHBondContact O-CE2 3.34Å; A642-Y842 PolarHBondContact O-OH 2.68Å; L644-Y842 VanDerWaalsContact CA-CE2 3.48Å; L644-Y842 HydrophobicContact CB-CD2 4.06Å; L644-Y842 HydrophobicContact CB-CE1 4.32Å; L644-Y842 HydrophobicContact CB-CE2 3.7Å; L644-Y842 HydrophobicContact CD1-CD1 4.09Å; L644-Y842 HydrophobicContact CD1-CD2 3.76Å; L644-Y842 HydrophobicContact CD1-CE2 4.29Å; L644-Y842 HydrophobicContact CD1-CG 3.67Å; M682-Y842 WeakPolarHBondContact CE-OH 3.25Å; T840-Y842 PolarHBondContact O-N 3.27Å; T840-Y842 VanDerWaalsContact O-N 3.16Å
843R93.8Very high94.1Very high94 Ų9450.9 Ų50.936%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-136145.3173.162.6179.5-179.691.2-9.5111.2A592 L593 P594 I595 S845A592-R843 HydrophobicContact CB-CB 4.03Å; A592-R843 HydrophobicContact CB-CG 3.95Å; A592-R843 PolarHBondContact O-NE 3.26Å; L593-R843 PolarHBondContact O-N 3.22Å; P594-R843 WeakPolarHBondContact CA-O 3.32Å; I595-R843 PolarHBondContact N-O 3.48Å; R843-S845 PolarHBondContact O-N 3.49Å
844L94.2Very high94.1Very high60 Ų6052.3 Ų52.331%0.31430%0.3SS..EExtended strand (participates in β ladder)trans-78.5117.8177.5-155.661.5000109.2I595 V597 M835 L837 N847I595-L844 CarbonylContact O-C 3.56Å; I595-L844 WeakPolarHBondContact O-CA 3.33Å; V597-L844 HydrophobicContact CB-CD1 4.08Å; V597-L844 HydrophobicContact CG1-CD1 3.92Å; V597-L844 HydrophobicContact CG1-CD2 4Å; V597-L844 HydrophobicContact CG1-CG 4.43Å; M835-L844 HydrophobicContact CE-CD1 3.5Å; M835-L844 VanDerWaalsContact CE-CD1 3.5Å; M835-L844 HydrophobicContact CE-CD2 4.23Å; L837-L844 HydrophobicContact CD1-CB 4.16Å; L837-L844 HydrophobicContact CD1-CD1 4.49Å; L844-N847 HydrophobicContact CD2-CB 3.89Å
845S94.2Very high94.1Very high62 Ų6259.3 Ų59.343%0.43432%0.324SS..EExtended strand (participates in β ladder)trans-88.8-23.2177.160.50000112.9I595 R843I595-S845 PolarHBondContact O-N 3.13Å; I595-S845 PolarHBondContact O-OG 3.02Å; I595-S845 VanDerWaalsContact O-OG 3.12Å; R843-S845 PolarHBondContact O-N 3.49Å
846L94Very high94.2Very high98 Ų9859.2 Ų59.251%0.51332%0.323SS..EExtended strand (participates in β ladder)trans-157.5138.3175.5174.665.9000109.6A596 V597 K848A596-L846 WeakPolarHBondContact CA-O 3.47Å; A596-L846 HydrophobicContact CB-CB 3.83Å; V597-L846 PolarHBondContact N-O 2.84Å; L846-K848 HydrophobicContact CD2-CB 4.35Å; L846-K848 HydrophobicContact CG-CB 4.35Å
847N95.1Very high94.3Very high57 Ų5758.5 Ų58.531%0.30532%0.319SS..EExtended strand (participates in β ladder)trans-115108.7163.6-171.3-13.5000107.9V597 D834 L844V597-N847 HydrophobicContact CG1-CB 4Å; V597-N847 WeakPolarHBondContact CG1-OD1 3.44Å; D834-N847 PolarHBondContact OD1-ND2 3.28Å; L844-N847 HydrophobicContact CD2-CB 3.89Å
848K96Very high94.3Very high73 Ų7356.8 Ų56.832%0.31731%0.31SS..EExtended strand (participates in β ladder)trans-107.2105.3178.7-179.8158.7-178.8157.90110.5V597 A598 F599 E826 L846V597-K848 PolarHBondContact O-N 3.14Å; A598-K848 CarbonylContact C-O 3.59Å; A598-K848 VanDerWaalsContact CA-O 3.28Å; A598-K848 WeakPolarHBondContact CA-O 3.39Å; F599-K848 PolarHBondContact N-O 3.34Å; E826-K848 WeakPolarHBondContact OE1-CE 3.47Å; E826-K848 IonicContact OE1-NZ 2.64Å; E826-K848 PolarHBondContact OE1-NZ 3.23Å; E826-K848 IonicContact OE2-NZ 2.64Å; E826-K848 PolarHBondContact OE2-NZ 3.38Å; L846-K848 HydrophobicContact CD2-CB 4.35Å; L846-K848 HydrophobicContact CG-CB 4.35Å
849K96.6Very high94.1Very high22 Ų2255 Ų5510%0.09630%0.303CS..EExtended strand (participates in β ladder)trans-92.5139167.9-62.1-172.7-176.2-170.20110.5F599 D748 G827 S828 T829 V833 D834F599-K849 HydrophobicContact CD2-CG 4.2Å; D748-K849 IonicContact OD2-NZ 3.97Å; D748-K849 PolarHBondContact OD2-NZ 3.39Å; G827-K849 PolarHBondContact N-O 3.31Å; S828-K849 CarbonylContact O-C 3.51Å; T829-K849 HydrophobicContact CG2-CB 4.13Å; T829-K849 HydrophobicContact CG2-CD 4.19Å; T829-K849 HydrophobicContact CG2-CG 4.17Å; V833-K849 PolarHBondContact O-NZ 3.12Å; D834-K849 VanDerWaalsContact CG-CE 3.48Å; D834-K849 WeakPolarHBondContact OD2-CE 3.43Å; D834-K849 IonicContact OD2-NZ 3.26Å; D834-K849 PolarHBondContact OD2-NZ 3.14Å
850R95.9Very high93.4Very high89 Ų8955.7 Ų55.734%0.33630%0.296SS..EExtended strand (participates in β ladder)trans-158.7156.7170.860.5172.9-175.7167.56111.8F599 T600 E601 N825 E826 S828F599-R850 PolarHBondContact O-N 3.03Å; T600-R850 HydrophobicContact CG2-CG 4.32Å; T600-R850 PolarHBondContact OG1-NE 3.36Å; T600-R850 PolarHBondContact OG1-NH2 2.85Å; E601-R850 PolarHBondContact N-O 3.11Å; N825-R850 VanDerWaalsContact O-CA 3.28Å; N825-R850 WeakPolarHBondContact O-CA 3.3Å; N825-R850 VanDerWaalsContact O-CB 3.23Å; N825-R850 WeakPolarHBondContact O-CB 3.32Å; E826-R850 HydrophobicContact CG-CB 4.29Å; S828-R850 CarbonylContact O-C 3.54Å; S828-R850 WeakPolarHBondContact O-CA 3.31Å; S828-R850 PolarHBondContact O-N 2.86Å
851F97.5Very high93.7Very high2 Ų251.9 Ų51.91%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-137.7156.716765.7-99.5000112.3E601 P720 M747 L753 F823 M824 N825 L830E601-F851 HydrophobicContact CB-CB 3.84Å; E601-F851 CarbonylContact O-C 3.58Å; E601-F851 VanDerWaalsContact O-CA 3.27Å; E601-F851 WeakPolarHBondContact O-CA 3.33Å; P720-F851 HydrophobicContact CB-CE2 4.17Å; P720-F851 HydrophobicContact CB-CZ 4.33Å; P720-F851 HydrophobicContact CG-CE2 3.88Å; P720-F851 HydrophobicContact CG-CZ 4.18Å; M747-F851 HydrophobicContact CG-CE1 3.77Å; M747-F851 HydrophobicContact CG-CZ 3.93Å; M747-F851 HydrophobicContact SD-CE1 3.82Å; M747-F851 HydrophobicContact SD-CZ 3.57Å; M747-F851 VanDerWaalsContact SD-CZ 3.57Å; L753-F851 HydrophobicContact CD2-CE2 3.67Å; L753-F851 HydrophobicContact CD2-CZ 3.67Å; F823-F851 HydrophobicContact CD2-CE2 4.35Å; F823-F851 HydrophobicContact CE2-CD2 4.47Å; F823-F851 AromaticContact CE2-CE2 3.99Å; F823-F851 HydrophobicContact CE2-CE2 3.99Å; M824-F851 CarbonylContact C-O 3.57Å; M824-F851 WeakPolarHBondContact CA-O 3.44Å; N825-F851 HydrophobicContact CB-CD1 3.89Å; N825-F851 HydrophobicContact CB-CD2 4.16Å; N825-F851 HydrophobicContact CB-CE1 3.43Å; N825-F851 VanDerWaalsContact CB-CE1 3.43Å; N825-F851 HydrophobicContact CB-CE2 3.72Å; N825-F851 HydrophobicContact CB-CG 4.24Å; N825-F851 HydrophobicContact CB-CZ 3.33Å; N825-F851 PolarHBondContact N-O 3.08Å; N825-F851 PolarHBondContact O-N 3.16Å; L830-F851 HydrophobicContact CD1-CD2 4.33Å; L830-F851 HydrophobicContact CD1-CG 4.3Å; L830-F851 HydrophobicContact CD2-CD1 3.62Å; L830-F851 HydrophobicContact CD2-CD2 4.15Å; L830-F851 HydrophobicContact CD2-CE1 3.47Å; L830-F851 VanDerWaalsContact CD2-CE1 3.47Å; L830-F851 HydrophobicContact CD2-CE2 4.04Å; L830-F851 HydrophobicContact CD2-CG 3.97Å; L830-F851 HydrophobicContact CD2-CZ 3.69Å; L830-F851 HydrophobicContact CG-CB 4.3Å; L830-F851 HydrophobicContact CG-CD1 3.9Å; L830-F851 HydrophobicContact CG-CD2 4.34Å; L830-F851 HydrophobicContact CG-CE1 4.27Å; L830-F851 HydrophobicContact CG-CG 3.94Å
852A96.8Very high93.9Very high38 Ų3853.6 Ų53.631%0.31427%0.274SS..EExtended strand (participates in β ladder)trans-142.3160.4175.800000112.1E601 T602 V603 M824E601-A852 PolarHBondContact O-N 3.17Å; T602-A852 CarbonylContact C-O 3.54Å; T602-A852 VanDerWaalsContact CA-O 3.32Å; T602-A852 WeakPolarHBondContact CA-O 3.2Å; V603-A852 PolarHBondContact N-O 3.2Å; M824-A852 HydrophobicContact CB-CB 4.16Å
853T97.3Very high94Very high26 Ų2655.8 Ų55.816%0.1629%0.286CS..EExtended strand (participates in β ladder)trans-68.3129.7171.148.10000112.3Q822 F823 Y856Q822-T853 VanDerWaalsContact CA-OG1 3.26Å; Q822-T853 WeakPolarHBondContact CA-OG1 3.4Å; F823-T853 HydrophobicContact CB-CG2 4.45Å; F823-T853 HydrophobicContact CD1-CG2 3.46Å; F823-T853 VanDerWaalsContact CD1-CG2 3.46Å; F823-T853 HydrophobicContact CD2-CG2 3.75Å; F823-T853 HydrophobicContact CE1-CG2 3.44Å; F823-T853 VanDerWaalsContact CE1-CG2 3.44Å; F823-T853 HydrophobicContact CE2-CG2 3.73Å; F823-T853 HydrophobicContact CG-CG2 3.61Å; F823-T853 HydrophobicContact CZ-CG2 3.58Å; F823-T853 PolarHBondContact N-OG1 3.28Å; F823-T853 VanDerWaalsContact N-OG1 3.12Å; F823-T853 PolarHBondContact O-N 3.21Å; F823-T853 PolarHBondContact O-OG1 3.13Å; T853-Y856 HydrophobicContact CG2-CD2 3.95Å; T853-Y856 HydrophobicContact CG2-CG 3.94Å
854G95.2Very high94Very high30 Ų3053.5 Ų53.531%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-87.9-120.7159.200000110.3V603 Y856V603-G854 PolarHBondContact O-N 3.25Å; G854-Y856 PolarHBondContact O-N 3.32Å; G854-Y856 VanDerWaalsContact O-N 3.14Å
855R94.8Very high93.9Very high184 Ų18453.1 Ų53.169%0.69428%0.28SS*.EExtended strand (participates in β ladder)trans-79.191.8167.5-68-176.1-64.9-173.80.5109.4N604 A605 M857N604-R855 CarbonylContact C-O 3.59Å; N604-R855 VanDerWaalsContact CA-O 3.27Å; N604-R855 WeakPolarHBondContact CA-O 3.5Å; N604-R855 PolarHBondContact OD1-N 2.93Å; A605-R855 PolarHBondContact N-O 3.02Å; R855-M857 HydrophobicContact CB-CE 4.36Å; R855-M857 HydrophobicContact CB-SD 4.39Å
856Y97.4Very high93.9Very high2 Ų252.5 Ų52.51%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-107.8108.1174-148.8-82.9000108.2V603 A605 F607 T719 L721 L723 A820 V821 F823 T853 G854V603-Y856 HydrophobicContact CG1-CD2 4.08Å; V603-Y856 HydrophobicContact CG1-CE2 4.06Å; V603-Y856 HydrophobicContact CG2-CD2 4.16Å; V603-Y856 HydrophobicContact CG2-CE2 3.84Å; A605-Y856 HydrophobicContact CB-CD1 4.38Å; A605-Y856 HydrophobicContact CB-CD2 3.63Å; A605-Y856 HydrophobicContact CB-CE1 4.33Å; A605-Y856 HydrophobicContact CB-CE2 3.55Å; A605-Y856 HydrophobicContact CB-CG 4.07Å; A605-Y856 CarbonylContact O-C 3.56Å; A605-Y856 WeakPolarHBondContact O-CA 3.08Å; F607-Y856 HydrophobicContact CE2-CD1 4.17Å; F607-Y856 AromaticContact CE2-CE1 3.55Å; F607-Y856 HydrophobicContact CE2-CE1 3.55Å; F607-Y856 AromaticContact CE2-CZ 3.94Å; F607-Y856 HydrophobicContact CZ-CE1 4.11Å; T719-Y856 WeakPolarHBondContact CB-OH 3.4Å; T719-Y856 HydrophobicContact CG2-CE2 4.09Å; T719-Y856 WeakPolarHBondContact CG2-OH 3.33Å; L721-Y856 PolarHBondContact N-OH 3.32Å; L721-Y856 VanDerWaalsContact N-OH 3.16Å; L721-Y856 WeakPolarHBondContact O-CE1 3.41Å; L721-Y856 PolarHBondContact O-OH 3.34Å; L723-Y856 HydrophobicContact CD1-CD1 3.98Å; L723-Y856 HydrophobicContact CD1-CE1 3.84Å; L723-Y856 HydrophobicContact CG-CE1 4.17Å; A820-Y856 WeakPolarHBondContact CA-O 3.5Å; V821-Y856 HydrophobicContact CB-CD1 4.11Å; V821-Y856 PolarHBondContact N-O 2.9Å; V821-Y856 WeakPolarHBondContact O-CB 3.4Å; F823-Y856 HydrophobicContact CE1-CD1 4.1Å; F823-Y856 HydrophobicContact CE1-CD2 4.21Å; F823-Y856 AromaticContact CE1-CE1 3.81Å; F823-Y856 HydrophobicContact CE1-CE1 3.81Å; F823-Y856 AromaticContact CE1-CE2 3.95Å; F823-Y856 HydrophobicContact CE1-CE2 3.95Å; F823-Y856 HydrophobicContact CE1-CG 4.27Å; F823-Y856 AromaticContact CE1-CZ 3.72Å; F823-Y856 HydrophobicContact CZ-CD2 4.04Å; F823-Y856 HydrophobicContact CZ-CE1 4.25Å; F823-Y856 AromaticContact CZ-CE2 3.57Å; F823-Y856 HydrophobicContact CZ-CE2 3.57Å; F823-Y856 AromaticContact CZ-CZ 3.67Å; T853-Y856 HydrophobicContact CG2-CD2 3.95Å; T853-Y856 HydrophobicContact CG2-CG 3.94Å; G854-Y856 PolarHBondContact O-N 3.32Å; G854-Y856 VanDerWaalsContact O-N 3.14Å
857M96.1Very high93.9Very high51 Ų5149.3 Ų49.325%0.25125%0.252SS..EExtended strand (participates in β ladder)trans-141.3151.9-161-61.4-171.1-51.600112.2A605 Y606 F607 T818 L819 R855A605-M857 PolarHBondContact O-N 2.92Å; Y606-M857 WeakPolarHBondContact CA-O 3.46Å; Y606-M857 HydrophobicContact CD2-CB 4.43Å; Y606-M857 HydrophobicContact CD2-CE 4.42Å; F607-M857 WeakPolarHBondContact CD2-O 3.35Å; F607-M857 PolarHBondContact N-O 3.09Å; T818-M857 HydrophobicContact CG2-CB 3.74Å; T818-M857 HydrophobicContact CG2-CG 4.25Å; T818-M857 HydrophobicContact CG2-SD 4.09Å; L819-M857 CarbonylContact O-C 3.55Å; L819-M857 VanDerWaalsContact O-CA 3.24Å; L819-M857 WeakPolarHBondContact O-CA 3.44Å; R855-M857 HydrophobicContact CB-CE 4.36Å; R855-M857 HydrophobicContact CB-SD 4.39Å
858A94Very high93.8Very high0 Ų048.7 Ų48.70%025%0.248CC..EExtended strand (participates in β ladder)trans-143.5136.8174.600000113F607 L723 V725 T818 L819F607-A858 HydrophobicContact CB-CB 3.88Å; F607-A858 HydrophobicContact CD2-CB 4.45Å; F607-A858 WeakPolarHBondContact O-CA 3.25Å; L723-A858 HydrophobicContact CB-CB 4.42Å; L723-A858 HydrophobicContact CD1-CB 4.17Å; V725-A858 HydrophobicContact CG2-CB 3.37Å; T818-A858 WeakPolarHBondContact CA-O 3.29Å; L819-A858 HydrophobicContact CD1-CB 3.91Å; L819-A858 HydrophobicContact CG-CB 4.18Å; L819-A858 PolarHBondContact N-O 3.4Å; L819-A858 PolarHBondContact O-N 3.03Å
859D88.8Confident93.7Very high35 Ų3546.7 Ų46.719%0.18724%0.243CC..EExtended strand (participates in β ladder)trans-106.8173.1173.7-78.7-20.5000111.4Y606 F607 G609 T818Y606-D859 HydrophobicContact CE2-CB 4.28Å; Y606-D859 WeakPolarHBondContact CE2-OD2 3.46Å; Y606-D859 VanDerWaalsContact CZ-OD2 3.28Å; Y606-D859 PolarHBondContact OH-OD2 3.38Å; F607-D859 PolarHBondContact O-N 3.17Å; G609-D859 WeakPolarHBondContact CA-O 3.47Å; G609-D859 PolarHBondContact N-O 3.12Å; T818-D859 WeakPolarHBondContact CA-OD1 3.34Å; T818-D859 WeakPolarHBondContact CB-OD1 3.29Å; T818-D859 WeakPolarHBondContact CG2-OD1 3.42Å; T818-D859 PolarHBondContact N-OD1 3.24Å; T818-D859 PolarHBondContact OG1-OD1 3.25Å
860C73.6Confident93.4Very high81 Ų8148.9 Ų48.955%0.54726%0.256SS..  trans-88.50171.1-159.30000113.1G609 W727 P816G609-C860 VanDerWaalsContact CA-OXT 3.23Å; G609-C860 WeakPolarHBondContact CA-OXT 3.41Å; W727-C860 HydrophobicContact CB-CB 4.28Å; W727-C860 HydrophobicContact CG-CB 4.15Å; W727-C860 PolarHBondContact N-SG 3.29Å; P816-C860 HydrophobicContact CB-CB 4.1Å

Retrieved 860 of 860 residues in 450.2 ms (Link to these results)

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