A0A077SA04_TURTR Loading...

lysozyme

Lysozymes have primarily a bacteriolytic function; those in tissues and body fluids are associated with the monocyte-macrophage system and enhance the activity of immunoagents.

AlphaFold DB , UniProt , Accession A0A077SA04, Species TURTR (Tursiops truncatus, Atlantic bottle-nosed dolphin), Gene LYZF1, Length 148 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
1M44.8Very low53.4Low235 Ų235148.6 Ų148.6100%1.15882%0.819SS**  0116.30-57.9-177.5-8900105.9
2K43.7Very low53.2Low192 Ų192149.2 Ų149.284%0.83582%0.819SS**  cis-153.6128.837.5-66.7169.5175.2176.30107.6V4K2-V4 PolarHBondContact O-N 3.33Å
3A50.4Low53.2Low95 Ų95146 Ų14679%0.78581%0.814SS**  trans-69.1117.3167.300000107.8L5A3-L5 PolarHBondContact O-N 3.2Å
4V54.8Low53.3Low129 Ų129144.2 Ų144.278%0.78281%0.808SS**  trans-8393.9173.3-179.20000106.8K2 I6K2-V4 PolarHBondContact O-N 3.33Å; V4-I6 PolarHBondContact O-N 2.91Å; V4-I6 VanDerWaalsContact O-N 3.11Å
5L53Low53.4Low151 Ų151139.7 Ų139.779%0.79180%0.797SS**  trans-64.6101.4169-78.9155.5000108.4A3 L7A3-L5 PolarHBondContact O-N 3.2Å; L5-L7 PolarHBondContact O-N 2.83Å
6I58.3Low53.6Low157 Ų157137.4 Ų137.481%0.80579%0.786SS**  trans-76.582.9163.3-57.5-178.4000106.3V4 G8V4-I6 PolarHBondContact O-N 2.91Å; V4-I6 VanDerWaalsContact O-N 3.11Å; I6-G8 PolarHBondContact O-N 3.33Å
7L54.8Low54.3Low159 Ų159139.4 Ų139.483%0.83279%0.786SS**  trans-82.2113.5172.3-16172.7000107.9L5 L9L5-L7 PolarHBondContact O-N 2.83Å; L7-L9 PolarHBondContact O-N 2.67Å
8G57.2Low55.3Low63 Ų63132.9 Ų132.965%0.64976%0.756SS**  trans-55.5128.9-174.600000113.7I6 L10I6-G8 PolarHBondContact O-N 3.33Å; G8-L10 VanDerWaalsContact C-N 3.3Å; G8-L10 PolarHBondContact O-N 2.93Å
9L57.3Low57.4Low153 Ų153129.1 Ų129.180%0.80173%0.73SS**  trans-8778.2161.8-149.280.2000107.8L7 L11L7-L9 PolarHBondContact O-N 2.67Å; L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 HydrophobicContact CD2-CD2 4.39Å; L9-L11 HydrophobicContact CD2-CG 4.49Å; L9-L11 PolarHBondContact O-N 2.98Å
10L54.4Low59.4Low158 Ų158126.5 Ų126.583%0.82772%0.717SS**  trans-65.793.6161.1-94.4145.1000106.7G8 L12G8-L10 VanDerWaalsContact C-N 3.3Å; G8-L10 PolarHBondContact O-N 2.93Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.38Å
11L58.6Low61.3Low143 Ų143120.9 Ų120.975%0.74969%0.685SS**  trans-61.794.6164.6-74.1164.9000106.9L9 S13L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 HydrophobicContact CD2-CD2 4.39Å; L9-L11 HydrophobicContact CD2-CG 4.49Å; L9-L11 PolarHBondContact O-N 2.98Å; L11-S13 PolarHBondContact O-N 3.28Å
12L51Low63.8Low155 Ų155116.6 Ų116.681%0.81266%0.662SS**  trans-65.685.7163.9-78.4160.6000106.8L10 V14L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.38Å; L12-V14 PolarHBondContact O-N 3Å
13S53.8Low66.4Low108 Ų108111.3 Ų111.376%0.75564%0.637SS**  trans-6292.7160.2-28.60000105.3L11 A15L11-S13 PolarHBondContact O-N 3.28Å; S13-A15 PolarHBondContact O-N 3.27Å
14V54.6Low68.7Low121 Ų121108 Ų10873%0.73361%0.607SS**  trans-6397.5166.1-174.30000104.1L12 V16L12-V14 PolarHBondContact O-N 3Å; V14-V16 VanDerWaalsContact C-N 3.26Å; V14-V16 PolarHBondContact O-N 3.02Å
15A53.7Low70.8Confident77 Ų77104.8 Ų104.864%0.63658%0.584SS**  trans-61101.1167.800000105S13 Q17S13-A15 PolarHBondContact O-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.15Å
16V57.9Low73Confident103 Ų10397.6 Ų97.662%0.62455%0.546SS*.  trans-69.679.6169.5-178.60000105.4V14 G18 Q59V14-V16 VanDerWaalsContact C-N 3.26Å; V14-V16 PolarHBondContact O-N 3.02Å; V16-G18 PolarHBondContact O-N 3.27Å; V16-Q59 PolarHBondContact O-NE2 3.2Å
17Q64.6Low75Confident170 Ų17090.1 Ų90.179%0.79451%0.508SS*.PPolyproline II helixtrans-62.7118.2172.9-90.1177.9-51.500107.4A15A15-Q17 PolarHBondContact O-N 3.15Å
18G72.8Confident77.1Confident23 Ų2389.2 Ų89.224%0.23749%0.493CS..PPolyproline II helixtrans-61.2136.917700000112.4V16 T20 Q59V16-G18 PolarHBondContact O-N 3.27Å; G18-T20 PolarHBondContact O-N 3.05Å; G18-Q59 VanDerWaalsContact CA-CG 3.45Å; G18-Q59 VanDerWaalsContact N-CD 3.34Å; G18-Q59 VanDerWaalsContact N-NE2 3.17Å
19K94.4Very high79Confident61 Ų6187 Ų8727%0.26547%0.467SS..PPolyproline II helixtrans-68.6124.5174.2-179.4170.4-176.3170.50111F21 E25 T58 D105K19-F21 HydrophobicContact CD-CD2 4Å; K19-F21 HydrophobicContact CD-CE1 4.28Å; K19-F21 HydrophobicContact CD-CE2 3.6Å; K19-F21 HydrophobicContact CD-CG 4.48Å; K19-F21 HydrophobicContact CD-CZ 3.76Å; K19-F21 VanDerWaalsContact CE-CE1 3.43Å; K19-F21 VanDerWaalsContact CE-CZ 3.43Å; K19-F21 HydrophobicContact CG-CD2 3.95Å; K19-F21 HydrophobicContact CG-CE2 3.99Å; K19-E25 WeakPolarHBondContact CE-OE1 3.36Å; K19-E25 IonicContact NZ-OE1 3.5Å; K19-E25 PolarHBondContact NZ-OE1 3.09Å; K19-T58 HydrophobicContact CB-CG2 4.32Å; K19-T58 PolarHBondContact N-OG1 3.16Å; K19-T58 WeakPolarHBondContact O-CB 3.39Å; K19-T58 WeakPolarHBondContact O-CG2 3.3Å; K19-T58 PolarHBondContact O-N 3.44Å; K19-T58 PolarHBondContact O-OG1 3.18Å; K19-D105 HydrophobicContact CB-CB 3.8Å; K19-D105 VanDerWaalsContact CB-CG 3.48Å; K19-D105 WeakPolarHBondContact CB-OD1 3.24Å; K19-D105 HydrophobicContact CD-CB 4.1Å; K19-D105 PolarHBondContact N-OD1 3.32Å
20T98.1Very high81Confident77 Ų7779.7 Ų79.747%0.47243%0.429SS..BIsolated β-bridgetrans-102117.2159.4-59.80000107.5G18G18-T20 PolarHBondContact O-N 3.05Å
21F98.5Very high83.1Confident9 Ų976 Ų764%0.03941%0.406CS..PPolyproline II helixtrans-73.9143.2-178.8-81.1-102.5000111.7K19 E25 L26 T29 Y56 T58 I74 I107K19-F21 HydrophobicContact CD-CD2 4Å; K19-F21 HydrophobicContact CD-CE1 4.28Å; K19-F21 HydrophobicContact CD-CE2 3.6Å; K19-F21 HydrophobicContact CD-CG 4.48Å; K19-F21 HydrophobicContact CD-CZ 3.76Å; K19-F21 VanDerWaalsContact CE-CE1 3.43Å; K19-F21 VanDerWaalsContact CE-CZ 3.43Å; K19-F21 HydrophobicContact CG-CD2 3.95Å; K19-F21 HydrophobicContact CG-CE2 3.99Å; F21-E25 HydrophobicContact CD1-CB 4.29Å; F21-E25 HydrophobicContact CD1-CG 3.88Å; F21-E25 HydrophobicContact CE1-CG 4.31Å; F21-L26 HydrophobicContact CB-CB 3.76Å; F21-L26 HydrophobicContact CB-CD1 4.41Å; F21-L26 HydrophobicContact CB-CG 4.47Å; F21-L26 HydrophobicContact CD1-CB 4.07Å; F21-L26 HydrophobicContact CD1-CD1 4.15Å; F21-L26 HydrophobicContact CD2-CD1 4.27Å; F21-L26 HydrophobicContact CE1-CD1 4.46Å; F21-L26 HydrophobicContact CG-CB 4.1Å; F21-L26 HydrophobicContact CG-CD1 4.04Å; F21-T29 HydrophobicContact CE1-CG2 4.34Å; F21-Y56 PolarHBondContact N-O 2.95Å; F21-Y56 WeakPolarHBondContact O-CB 3.39Å; F21-T58 HydrophobicContact CD2-CG2 3.98Å; F21-T58 HydrophobicContact CE2-CG2 3.66Å; F21-I74 HydrophobicContact CD2-CD1 3.96Å; F21-I74 HydrophobicContact CE2-CD1 4.34Å; F21-I107 HydrophobicContact CE2-CD1 4.43Å; F21-I107 HydrophobicContact CE2-CG2 3.79Å; F21-I107 HydrophobicContact CZ-CD1 4.22Å; F21-I107 HydrophobicContact CZ-CG1 4.37Å; F21-I107 HydrophobicContact CZ-CG2 4.23Å
22E98.5Very high85.1Confident144 Ų14478.3 Ų78.367%0.67341%0.405SS*.PPolyproline II helixtrans-68.7146.9160.6-71-60.6152.700110.5C24 E25 L26E22-C24 PolarHBondContact O-N 3.44Å; E22-E25 HydrophobicContact CB-CB 4.02Å; E22-E25 PolarHBondContact N-OE2 2.73Å; E22-E25 WeakPolarHBondContact O-CB 3.44Å; E22-E25 PolarHBondContact O-N 3.1Å; E22-L26 PolarHBondContact O-N 2.76Å
23R98.6Very high87.3Confident82 Ų8272.9 Ų72.931%0.30938%0.377SS..Hα-helixtrans-51.7-51.8-173.3-177.6-178.964.184.5-0.4113L26 A27 M47 Y56 T141 Y142 Q144 C146R23-L26 PolarHBondContact O-N 2.93Å; R23-A27 PolarHBondContact O-N 3.04Å; R23-M47 HydrophobicContact CG-CE 3.81Å; R23-M47 WeakPolarHBondContact O-CE 3.41Å; R23-Y56 HydrophobicContact CB-CE2 4.15Å; R23-Y56 HydrophobicContact CG-CE2 4.44Å; R23-T141 PolarHBondContact NH1-O 2.97Å; R23-Y142 WeakPolarHBondContact CD-O 3.41Å; R23-Y142 WeakPolarHBondContact CG-O 3.21Å; R23-Y142 PolarHBondContact NH1-O 2.93Å; R23-Q144 VanDerWaalsContact CZ-O 3.3Å; R23-Q144 PolarHBondContact NH1-O 3.39Å; R23-Q144 PolarHBondContact NH2-O 2.87Å; R23-C146 PolarHBondContact NH1-SG 3.3Å
24C98.8Very high89.5Confident25 Ų2569.3 Ų69.317%0.16936%0.357CS..Hα-helixtrans-77.3-23.1-178-68.70000113.7E22 R28 C146E22-C24 PolarHBondContact O-N 3.44Å; C24-R28 WeakPolarHBondContact O-CG 3.44Å; C24-R28 PolarHBondContact O-N 3.19Å; C24-R28 PolarHBondContact O-NE 2.63Å; C24-C146 WeakPolarHBondContact CA-SG 3.47Å; C24-C146 HydrophobicContact CB-CB 3.6Å; C24-C146 WeakPolarHBondContact CB-SG 3.38Å; C24-C146 WeakPolarHBondContact SG-CA 3.31Å; C24-C146 WeakPolarHBondContact SG-CB 3.46Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 3.3Å
25E98.8Very high91.6Very high61 Ų6163.6 Ų63.629%0.28532%0.322SS..Hα-helixtrans-66.3-46.1171.3-172-162.6175.100110.3K19 F21 E22 T29K19-E25 WeakPolarHBondContact CE-OE1 3.36Å; K19-E25 IonicContact NZ-OE1 3.5Å; K19-E25 PolarHBondContact NZ-OE1 3.09Å; F21-E25 HydrophobicContact CD1-CB 4.29Å; F21-E25 HydrophobicContact CD1-CG 3.88Å; F21-E25 HydrophobicContact CE1-CG 4.31Å; E22-E25 HydrophobicContact CB-CB 4.02Å; E22-E25 PolarHBondContact N-OE2 2.73Å; E22-E25 WeakPolarHBondContact O-CB 3.44Å; E22-E25 PolarHBondContact O-N 3.1Å; E25-T29 WeakPolarHBondContact O-CB 3.34Å; E25-T29 PolarHBondContact O-N 3.47Å; E25-T29 PolarHBondContact O-OG1 2.84Å
26L98.9Very high93.7Very high0 Ų063.2 Ų63.20%031%0.309CS..Hα-helixtrans-63.4-47.1176.1-175.159.2000111F21 E22 R23 R28 T29 L30 M47 A50 Y56 I74 I107F21-L26 HydrophobicContact CB-CB 3.76Å; F21-L26 HydrophobicContact CB-CD1 4.41Å; F21-L26 HydrophobicContact CB-CG 4.47Å; F21-L26 HydrophobicContact CD1-CB 4.07Å; F21-L26 HydrophobicContact CD1-CD1 4.15Å; F21-L26 HydrophobicContact CD2-CD1 4.27Å; F21-L26 HydrophobicContact CE1-CD1 4.46Å; F21-L26 HydrophobicContact CG-CB 4.1Å; F21-L26 HydrophobicContact CG-CD1 4.04Å; E22-L26 PolarHBondContact O-N 2.76Å; R23-L26 PolarHBondContact O-N 2.93Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.36Å; L26-T29 CarbonylContact O-C 3.4Å; L26-T29 WeakPolarHBondContact O-CA 3.46Å; L26-T29 WeakPolarHBondContact O-CB 3.47Å; L26-T29 PolarHBondContact O-N 2.93Å; L26-L30 HydrophobicContact CD1-CD1 4.21Å; L26-L30 HydrophobicContact CD1-CD2 3.81Å; L26-L30 HydrophobicContact CD1-CG 3.81Å; L26-L30 HydrophobicContact CD2-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 4Å; L26-L30 HydrophobicContact CG-CD2 4.49Å; L26-L30 HydrophobicContact CG-CG 3.97Å; L26-L30 WeakPolarHBondContact O-CG 3.27Å; L26-L30 PolarHBondContact O-N 3.17Å; L26-M47 HydrophobicContact CB-CE 4.02Å; L26-M47 HydrophobicContact CB-SD 3.96Å; L26-M47 HydrophobicContact CD2-CE 4.06Å; L26-M47 HydrophobicContact CD2-SD 3.87Å; L26-M47 HydrophobicContact CG-CE 4.22Å; L26-M47 HydrophobicContact CG-SD 3.69Å; L26-A50 HydrophobicContact CD2-CB 3.89Å; L26-Y56 HydrophobicContact CD2-CD1 3.35Å; L26-Y56 HydrophobicContact CD2-CE1 3.87Å; L26-Y56 HydrophobicContact CD2-CG 3.98Å; L26-I74 HydrophobicContact CD1-CD1 3.59Å; L26-I74 HydrophobicContact CD2-CD1 3.88Å; L26-I74 HydrophobicContact CG-CD1 4.41Å; L26-I107 HydrophobicContact CD1-CD1 3.63Å
27A98.9Very high95.7Very high0 Ų060.3 Ų60.30%030%0.3CS..Hα-helixtrans-56-46.8-179.100000112.1R23 T29 L30 K31 L43 M47 C146 V148R23-A27 PolarHBondContact O-N 3.04Å; A27-T29 VanDerWaalsContact C-N 3.34Å; A27-T29 PolarHBondContact O-N 3.09Å; A27-L30 PolarHBondContact O-N 3.48Å; A27-K31 WeakPolarHBondContact O-CB 3.49Å; A27-K31 PolarHBondContact O-N 3.02Å; A27-L43 HydrophobicContact CB-CD2 4.48Å; A27-M47 WeakPolarHBondContact CA-SD 3.45Å; A27-M47 HydrophobicContact CB-CE 4.18Å; A27-M47 HydrophobicContact CB-CG 4.14Å; A27-M47 HydrophobicContact CB-SD 3.8Å; A27-M47 PolarHBondContact N-SD 3.03Å; A27-M47 VanDerWaalsContact N-SD 3.42Å; A27-C146 HydrophobicContact CB-CB 4.26Å; A27-V148 HydrophobicContact CB-CG2 4.19Å
28R98.9Very high97.3Very high140 Ų14055.1 Ų55.153%0.52827%0.274SS..Hα-helixtrans-61.7-41.4174.3-76.9-177.3-93128.8-7.1112.1C24 L26 R32 V148C24-R28 WeakPolarHBondContact O-CG 3.44Å; C24-R28 PolarHBondContact O-N 3.19Å; C24-R28 PolarHBondContact O-NE 2.63Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.36Å; R28-R32 WeakPolarHBondContact O-CB 3.36Å; R28-R32 PolarHBondContact O-N 3.33Å; R28-V148 HydrophobicContact CB-CG1 4.39Å; R28-V148 HydrophobicContact CG-CG1 3.57Å
29T98.9Very high98.5Very high16 Ų1662.4 Ų62.410%0.09829%0.294CS..Hα-helixtrans-64.2-48.1178.4-59.30000111.9F21 E25 L26 A27 K31 R32 L33 I107F21-T29 HydrophobicContact CE1-CG2 4.34Å; E25-T29 WeakPolarHBondContact O-CB 3.34Å; E25-T29 PolarHBondContact O-N 3.47Å; E25-T29 PolarHBondContact O-OG1 2.84Å; L26-T29 CarbonylContact O-C 3.4Å; L26-T29 WeakPolarHBondContact O-CA 3.46Å; L26-T29 WeakPolarHBondContact O-CB 3.47Å; L26-T29 PolarHBondContact O-N 2.93Å; A27-T29 VanDerWaalsContact C-N 3.34Å; A27-T29 PolarHBondContact O-N 3.09Å; T29-K31 PolarHBondContact O-N 3.22Å; T29-R32 PolarHBondContact O-N 3.41Å; T29-L33 HydrophobicContact CG2-CD1 3.94Å; T29-L33 WeakPolarHBondContact O-CG 3.24Å; T29-L33 PolarHBondContact O-N 2.81Å; T29-I107 HydrophobicContact CG2-CD1 3.84Å; T29-I107 HydrophobicContact CG2-CG1 4.06Å
30L98.9Very high98.7Very high0 Ų063 Ų630%032%0.318CS..Hα-helixtrans-65.4-38.4179.7-62.4-170.5000112L26 A27 L33 G34 L35 L43 W46 M47 F75 I107 V111L26-L30 HydrophobicContact CD1-CD1 4.21Å; L26-L30 HydrophobicContact CD1-CD2 3.81Å; L26-L30 HydrophobicContact CD1-CG 3.81Å; L26-L30 HydrophobicContact CD2-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 4Å; L26-L30 HydrophobicContact CG-CD2 4.49Å; L26-L30 HydrophobicContact CG-CG 3.97Å; L26-L30 WeakPolarHBondContact O-CG 3.27Å; L26-L30 PolarHBondContact O-N 3.17Å; A27-L30 PolarHBondContact O-N 3.48Å; L30-L33 CarbonylContact O-C 3.52Å; L30-L33 PolarHBondContact O-N 3.32Å; L30-G34 PolarHBondContact O-N 3.18Å; L30-L35 HydrophobicContact CB-CB 4.43Å; L30-L35 HydrophobicContact CB-CD1 4.3Å; L30-L35 HydrophobicContact CD1-CD1 4.41Å; L30-L35 HydrophobicContact CD2-CD1 3.97Å; L30-L35 HydrophobicContact CG-CD1 4.43Å; L30-L35 PolarHBondContact O-N 2.93Å; L30-L43 HydrophobicContact CB-CD1 3.67Å; L30-W46 HydrophobicContact CD1-CB 3.94Å; L30-M47 HydrophobicContact CD1-SD 3.95Å; L30-F75 HydrophobicContact CD2-CZ 3.91Å; L30-I107 HydrophobicContact CD2-CD1 3.55Å; L30-V111 HydrophobicContact CD2-CG2 3.89Å
31K98.8Very high98.7Very high80 Ų8060 Ų6035%0.34830%0.299SS..Hα-helixtrans-62-48.6173-172171.9-175.2107.10111.2A27 T29 L33 G34 D36 L43 V148A27-K31 WeakPolarHBondContact O-CB 3.49Å; A27-K31 PolarHBondContact O-N 3.02Å; T29-K31 PolarHBondContact O-N 3.22Å; K31-L33 VanDerWaalsContact C-N 3.27Å; K31-L33 PolarHBondContact O-N 3.47Å; K31-G34 WeakPolarHBondContact O-CA 3.44Å; K31-G34 PolarHBondContact O-N 3.42Å; K31-D36 HydrophobicContact CG-CB 4.18Å; K31-D36 IonicContact NZ-OD2 2.83Å; K31-D36 PolarHBondContact NZ-OD2 2.8Å; K31-L43 HydrophobicContact CB-CD1 4.38Å; K31-L43 HydrophobicContact CB-CD2 4.03Å; K31-L43 HydrophobicContact CD-CD2 4.42Å; K31-V148 HydrophobicContact CD-CB 3.73Å; K31-V148 HydrophobicContact CD-CG1 3.87Å; K31-V148 WeakPolarHBondContact CE-OXT 3.12Å; K31-V148 PolarHBondContact NZ-OXT 3.47Å
32R98.9Very high98.7Very high192 Ų19261.8 Ų61.873%0.72531%0.313SS*.Hα-helixtrans-58.9-37.1176.8-177.5179.663.4-160.9-2.5112.5R28 T29 G34R28-R32 WeakPolarHBondContact O-CB 3.36Å; R28-R32 PolarHBondContact O-N 3.33Å; T29-R32 PolarHBondContact O-N 3.41Å; R32-G34 PolarHBondContact O-N 3.05Å
33L98.8Very high98.7Very high42 Ų4255.2 Ų55.222%0.2228%0.283CS..THydrogen-bonded Turntrans-80.14.7175.9-64.3174.2000113.3T29 L30 K31 I107 V111 K115T29-L33 HydrophobicContact CG2-CD1 3.94Å; T29-L33 WeakPolarHBondContact O-CG 3.24Å; T29-L33 PolarHBondContact O-N 2.81Å; L30-L33 CarbonylContact O-C 3.52Å; L30-L33 PolarHBondContact O-N 3.32Å; K31-L33 VanDerWaalsContact C-N 3.27Å; K31-L33 PolarHBondContact O-N 3.47Å; L33-I107 HydrophobicContact CD1-CD1 4.44Å; L33-I107 HydrophobicContact CD1-CG1 3.98Å; L33-V111 HydrophobicContact CB-CB 4.5Å; L33-V111 HydrophobicContact CB-CG1 3.94Å; L33-V111 HydrophobicContact CB-CG2 4.42Å; L33-V111 HydrophobicContact CD1-CB 4.19Å; L33-V111 HydrophobicContact CD1-CG2 3.71Å; L33-K115 PolarHBondContact O-NZ 3.12Å
34G98.7Very high98.8Very high33 Ų3352 Ų5234%0.3427%0.273SS..THydrogen-bonded Turntrans71.840.817100000113.7L30 K31 R32 K115L30-G34 PolarHBondContact O-N 3.18Å; K31-G34 WeakPolarHBondContact O-CA 3.44Å; K31-G34 PolarHBondContact O-N 3.42Å; R32-G34 PolarHBondContact O-N 3.05Å; G34-K115 WeakPolarHBondContact O-CE 3.43Å; G34-K115 PolarHBondContact O-NZ 3.43Å
35L98.8Very high98.8Very high0 Ų052.2 Ų52.20%027%0.273CS..  trans-89.6-21.4169.9-79.2-174.8000113.5L30 G37 Y38 W46 F75 V111 K115L30-L35 HydrophobicContact CB-CB 4.43Å; L30-L35 HydrophobicContact CB-CD1 4.3Å; L30-L35 HydrophobicContact CD1-CD1 4.41Å; L30-L35 HydrophobicContact CD2-CD1 3.97Å; L30-L35 HydrophobicContact CG-CD1 4.43Å; L30-L35 PolarHBondContact O-N 2.93Å; L35-G37 PolarHBondContact O-N 3.12Å; L35-G37 VanDerWaalsContact O-N 3.09Å; L35-Y38 WeakPolarHBondContact O-CB 3.41Å; L35-Y38 PolarHBondContact O-N 3.39Å; L35-W46 HydrophobicContact CB-CD2 4.45Å; L35-W46 HydrophobicContact CB-CG 4.12Å; L35-W46 HydrophobicContact CD1-CB 4.44Å; L35-W46 HydrophobicContact CD1-CD2 3.89Å; L35-W46 HydrophobicContact CD1-CE3 4.17Å; L35-W46 HydrophobicContact CD1-CG 4.02Å; L35-W46 HydrophobicContact CD2-CD2 4.28Å; L35-W46 HydrophobicContact CD2-CH2 4.28Å; L35-W46 HydrophobicContact CD2-CZ2 3.79Å; L35-W46 HydrophobicContact CG-CD2 4.46Å; L35-W46 PolarHBondContact O-NE1 3.47Å; L35-F75 HydrophobicContact CD1-CZ 4.15Å; L35-V111 HydrophobicContact CD1-CG1 3.96Å; L35-V111 HydrophobicContact CD1-CG2 4.07Å; L35-V111 HydrophobicContact CD2-CG1 3.99Å; L35-V111 HydrophobicContact CG-CG1 3.72Å; L35-K115 HydrophobicContact CD2-CD 4.31Å; L35-K115 HydrophobicContact CD2-CG 3.65Å
36D98.8Very high98.8Very high69 Ų6949.3 Ų49.337%0.36926%0.259SS..THydrogen-bonded Turntrans-64.2111.4178.9-167.415.4000110.9K31 Y38 L43K31-D36 HydrophobicContact CG-CB 4.18Å; K31-D36 IonicContact NZ-OD2 2.83Å; K31-D36 PolarHBondContact NZ-OD2 2.8Å; D36-Y38 VanDerWaalsContact C-N 3.29Å; D36-Y38 PolarHBondContact O-N 2.93Å; D36-L43 HydrophobicContact CB-CB 3.96Å; D36-L43 WeakPolarHBondContact OD1-CB 3.33Å; D36-L43 PolarHBondContact OD1-N 3.48Å; D36-L43 VanDerWaalsContact OD1-N 3.09Å
37G98.7Very high98.8Very high42 Ų4249.3 Ų49.343%0.43326%0.259SS..THydrogen-bonded Turntrans80.21.3-176.500000114.8L35 R39 G40 V41L35-G37 PolarHBondContact O-N 3.12Å; L35-G37 VanDerWaalsContact O-N 3.09Å; G37-R39 PolarHBondContact O-N 2.89Å; G37-R39 VanDerWaalsContact O-N 3.1Å; G37-G40 PolarHBondContact O-N 2.79Å; G37-V41 CarbonylContact C-O 3.56Å; G37-V41 VanDerWaalsContact CA-O 3.27Å; G37-V41 WeakPolarHBondContact CA-O 3.37Å; G37-V41 PolarHBondContact N-O 2.05Å
38Y98.8Very high98.8Very high62 Ų6249.3 Ų49.324%0.24326%0.259CS..BIsolated β-bridgetrans-61.7118.4-178.4-177-96.3000110.5L35 D36 G40 V41 K115 V118L35-Y38 WeakPolarHBondContact O-CB 3.41Å; L35-Y38 PolarHBondContact O-N 3.39Å; D36-Y38 VanDerWaalsContact C-N 3.29Å; D36-Y38 PolarHBondContact O-N 2.93Å; Y38-G40 PolarHBondContact O-N 2.66Å; Y38-V41 PolarHBondContact N-O 3.25Å; Y38-V41 WeakPolarHBondContact O-CB 3.41Å; Y38-V41 PolarHBondContact O-N 3.45Å; Y38-V41 VanDerWaalsContact O-N 3.09Å; Y38-K115 HydrophobicContact CD1-CB 4.36Å; Y38-K115 HydrophobicContact CD1-CG 3.83Å; Y38-K115 HydrophobicContact CD2-CD 4.18Å; Y38-K115 HydrophobicContact CD2-CG 4.29Å; Y38-K115 HydrophobicContact CE1-CB 3.63Å; Y38-K115 HydrophobicContact CE1-CD 4.36Å; Y38-K115 HydrophobicContact CE1-CG 3.58Å; Y38-K115 WeakPolarHBondContact CE1-O 3.49Å; Y38-K115 HydrophobicContact CE2-CB 4.43Å; Y38-K115 HydrophobicContact CE2-CD 3.94Å; Y38-K115 HydrophobicContact CE2-CG 4.07Å; Y38-K115 HydrophobicContact CG-CD 4.49Å; Y38-K115 HydrophobicContact CG-CG 4.17Å; Y38-K115 PolarHBondContact OH-O 3.32Å; Y38-V118 HydrophobicContact CD1-CG2 3.69Å; Y38-V118 HydrophobicContact CE1-CG2 3.48Å; Y38-V118 VanDerWaalsContact CE1-CG2 3.48Å
39R98.1Very high98.8Very high176 Ų17642.7 Ų42.766%0.66423%0.234SC*.THydrogen-bonded Turntrans55.132.7-174.6-59.8-72-69.1173.9-2113.2G37 V41 V118G37-R39 PolarHBondContact O-N 2.89Å; G37-R39 VanDerWaalsContact O-N 3.1Å; R39-V41 VanDerWaalsContact C-N 3.29Å; R39-V41 PolarHBondContact O-N 3.05Å; R39-V118 HydrophobicContact CB-CG2 4.5Å; R39-V118 HydrophobicContact CG-CG2 4.35Å
40G98.3Very high98.8Very high74 Ų7441.9 Ų41.976%0.76323%0.229SC*.THydrogen-bonded Turntrans78.87.9-179.800000114.4G37 Y38G37-G40 PolarHBondContact O-N 2.79Å; Y38-G40 PolarHBondContact O-N 2.66Å
41V98.8Very high98.8Very high12 Ų1245.2 Ų45.27%0.07324%0.244CC..BIsolated β-bridgetrans-93.7114.9177.1-175.50000109.4G37 Y38 R39 N45 W46 I124G37-V41 CarbonylContact C-O 3.56Å; G37-V41 VanDerWaalsContact CA-O 3.27Å; G37-V41 WeakPolarHBondContact CA-O 3.37Å; G37-V41 PolarHBondContact N-O 2.05Å; Y38-V41 PolarHBondContact N-O 3.25Å; Y38-V41 WeakPolarHBondContact O-CB 3.41Å; Y38-V41 PolarHBondContact O-N 3.45Å; Y38-V41 VanDerWaalsContact O-N 3.09Å; R39-V41 VanDerWaalsContact C-N 3.29Å; R39-V41 PolarHBondContact O-N 3.05Å; V41-N45 HydrophobicContact CG1-CB 3.61Å; V41-W46 HydrophobicContact CB-CZ2 4.19Å; V41-W46 HydrophobicContact CG1-CD2 4.13Å; V41-W46 HydrophobicContact CG1-CG 4.26Å; V41-W46 HydrophobicContact CG1-CZ2 4.08Å; V41-W46 VanDerWaalsContact CG1-NE1 3.32Å; V41-I124 HydrophobicContact CG1-CB 4.44Å; V41-I124 HydrophobicContact CG1-CD1 3.43Å; V41-I124 VanDerWaalsContact CG1-CD1 3.43Å; V41-I124 HydrophobicContact CG2-CB 4.08Å; V41-I124 HydrophobicContact CG2-CG2 4.2Å
42S98.8Very high98.8Very high47 Ų4746.9 Ų46.933%0.32925%0.248SC..  trans-69.8158.6-179.968.40000112.9A44 N45 W46S42-A44 PolarHBondContact O-N 3.24Å; S42-N45 WeakPolarHBondContact O-CB 3.5Å; S42-N45 PolarHBondContact O-N 3.19Å; S42-N45 PolarHBondContact OG-ND2 3.45Å; S42-W46 VanDerWaalsContact O-CD1 3.31Å; S42-W46 PolarHBondContact O-N 2.88Å
43L98.9Very high98.7Very high7 Ų739.8 Ų39.84%0.03722%0.223CC..Hα-helixtrans-53.3-39.7175.7-175.961.3000113.4A27 L30 K31 D36 N45 W46 M47 V143 V148A27-L43 HydrophobicContact CB-CD2 4.48Å; L30-L43 HydrophobicContact CB-CD1 3.67Å; K31-L43 HydrophobicContact CB-CD1 4.38Å; K31-L43 HydrophobicContact CB-CD2 4.03Å; K31-L43 HydrophobicContact CD-CD2 4.42Å; D36-L43 HydrophobicContact CB-CB 3.96Å; D36-L43 WeakPolarHBondContact OD1-CB 3.33Å; D36-L43 PolarHBondContact OD1-N 3.48Å; D36-L43 VanDerWaalsContact OD1-N 3.09Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 3.03Å; L43-W46 PolarHBondContact O-N 3.48Å; L43-M47 HydrophobicContact CG-CG 4.49Å; L43-M47 WeakPolarHBondContact O-CG 3.3Å; L43-M47 PolarHBondContact O-N 3.47Å; L43-V143 HydrophobicContact CB-CG1 4.46Å; L43-V143 HydrophobicContact CD2-CG1 4.09Å; L43-V143 HydrophobicContact CG-CG1 3.96Å; L43-V148 HydrophobicContact CD2-CB 3.92Å; L43-V148 HydrophobicContact CD2-CG2 3.62Å
44A98.8Very high98.7Very high13 Ų1338.4 Ų38.411%0.10722%0.217CC..Hα-helixtrans-62.1-33.7178.900000113S42 M47 C48 L139 V143S42-A44 PolarHBondContact O-N 3.24Å; A44-M47 PolarHBondContact O-N 2.94Å; A44-C48 WeakPolarHBondContact O-CB 3.07Å; A44-C48 PolarHBondContact O-N 3.25Å; A44-L139 HydrophobicContact CB-CB 3.76Å; A44-L139 WeakPolarHBondContact CB-O 3.2Å; A44-V143 HydrophobicContact CB-CG1 4.22Å; A44-V143 HydrophobicContact CB-CG2 4.23Å
45N98.9Very high98.7Very high31 Ų3141.1 Ų41.117%0.16622%0.224CC..Hα-helixtrans-66.2-43.2174.2-82.3-81.3000111.8V41 S42 L43 C48 L49 I124 W130 L139V41-N45 HydrophobicContact CG1-CB 3.61Å; S42-N45 WeakPolarHBondContact O-CB 3.5Å; S42-N45 PolarHBondContact O-N 3.19Å; S42-N45 PolarHBondContact OG-ND2 3.45Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 3.03Å; N45-C48 PolarHBondContact O-N 3.12Å; N45-L49 WeakPolarHBondContact O-CB 3.3Å; N45-L49 PolarHBondContact O-N 2.87Å; N45-I124 HydrophobicContact CB-CD1 4.04Å; N45-W130 WeakPolarHBondContact OD1-CZ2 3.05Å; N45-W130 PolarHBondContact OD1-NE1 3.07Å; N45-L139 HydrophobicContact CB-CD1 4.28Å; N45-L139 WeakPolarHBondContact OD1-CD1 3.29Å
46W98.9Very high98.7Very high0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-65.5-39.3176.5-68.1111.9000112.6L30 L35 V41 S42 L43 L49 A50 F75 A114 V118 I124 W127L30-W46 HydrophobicContact CD1-CB 3.94Å; L35-W46 HydrophobicContact CB-CD2 4.45Å; L35-W46 HydrophobicContact CB-CG 4.12Å; L35-W46 HydrophobicContact CD1-CB 4.44Å; L35-W46 HydrophobicContact CD1-CD2 3.89Å; L35-W46 HydrophobicContact CD1-CE3 4.17Å; L35-W46 HydrophobicContact CD1-CG 4.02Å; L35-W46 HydrophobicContact CD2-CD2 4.28Å; L35-W46 HydrophobicContact CD2-CH2 4.28Å; L35-W46 HydrophobicContact CD2-CZ2 3.79Å; L35-W46 HydrophobicContact CG-CD2 4.46Å; L35-W46 PolarHBondContact O-NE1 3.47Å; V41-W46 HydrophobicContact CB-CZ2 4.19Å; V41-W46 HydrophobicContact CG1-CD2 4.13Å; V41-W46 HydrophobicContact CG1-CG 4.26Å; V41-W46 HydrophobicContact CG1-CZ2 4.08Å; V41-W46 VanDerWaalsContact CG1-NE1 3.32Å; S42-W46 VanDerWaalsContact O-CD1 3.31Å; S42-W46 PolarHBondContact O-N 2.88Å; L43-W46 PolarHBondContact O-N 3.48Å; W46-L49 HydrophobicContact CE3-CD2 3.85Å; W46-L49 HydrophobicContact CZ3-CD2 3.91Å; W46-L49 PolarHBondContact O-N 3.11Å; W46-A50 PolarHBondContact O-N 3.34Å; W46-F75 HydrophobicContact CE3-CE1 4.48Å; W46-A114 HydrophobicContact CH2-CB 4.24Å; W46-A114 HydrophobicContact CZ3-CB 3.99Å; W46-V118 HydrophobicContact CH2-CB 4.43Å; W46-V118 HydrophobicContact CH2-CG1 3.43Å; W46-V118 VanDerWaalsContact CH2-CG1 3.43Å; W46-V118 HydrophobicContact CH2-CG2 4.15Å; W46-V118 HydrophobicContact CZ2-CG1 3.96Å; W46-V118 HydrophobicContact CZ2-CG2 4.18Å; W46-V118 HydrophobicContact CZ3-CG1 4.38Å; W46-I124 HydrophobicContact CE3-CD1 4.5Å; W46-W127 HydrophobicContact CH2-CH2 4.42Å; W46-W127 HydrophobicContact CZ3-CH2 4.22Å
47M98.9Very high98.7Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-65-44.7174.6-73.5-60.2-59.100111.9R23 L26 A27 L30 L43 A44 A50 K51 Y56 Y142 V143R23-M47 HydrophobicContact CG-CE 3.81Å; R23-M47 WeakPolarHBondContact O-CE 3.41Å; L26-M47 HydrophobicContact CB-CE 4.02Å; L26-M47 HydrophobicContact CB-SD 3.96Å; L26-M47 HydrophobicContact CD2-CE 4.06Å; L26-M47 HydrophobicContact CD2-SD 3.87Å; L26-M47 HydrophobicContact CG-CE 4.22Å; L26-M47 HydrophobicContact CG-SD 3.69Å; A27-M47 WeakPolarHBondContact CA-SD 3.45Å; A27-M47 HydrophobicContact CB-CE 4.18Å; A27-M47 HydrophobicContact CB-CG 4.14Å; A27-M47 HydrophobicContact CB-SD 3.8Å; A27-M47 PolarHBondContact N-SD 3.03Å; A27-M47 VanDerWaalsContact N-SD 3.42Å; L30-M47 HydrophobicContact CD1-SD 3.95Å; L43-M47 HydrophobicContact CG-CG 4.49Å; L43-M47 WeakPolarHBondContact O-CG 3.3Å; L43-M47 PolarHBondContact O-N 3.47Å; A44-M47 PolarHBondContact O-N 2.94Å; M47-A50 PolarHBondContact O-N 3.42Å; M47-K51 PolarHBondContact O-N 3.34Å; M47-Y56 HydrophobicContact CE-CE1 3.92Å; M47-Y56 WeakPolarHBondContact O-CE1 3.35Å; M47-Y142 HydrophobicContact CB-CD1 4.48Å; M47-Y142 HydrophobicContact CB-CG 4.42Å; M47-V143 HydrophobicContact CG-CG1 4.05Å
48C98.9Very high98.7Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-60.9-46.1175.2-177.50000111.7A44 N45 A50 K51 W52 C134 L139 Y142A44-C48 WeakPolarHBondContact O-CB 3.07Å; A44-C48 PolarHBondContact O-N 3.25Å; N45-C48 PolarHBondContact O-N 3.12Å; C48-A50 PolarHBondContact O-N 3.44Å; C48-K51 WeakPolarHBondContact O-CB 3.19Å; C48-K51 PolarHBondContact O-N 3.39Å; C48-W52 PolarHBondContact O-N 3.14Å; C48-C134 HydrophobicContact CB-CB 3.84Å; C48-C134 WeakPolarHBondContact CB-SG 3.09Å; C48-C134 WeakPolarHBondContact SG-CA 3.37Å; C48-C134 WeakPolarHBondContact SG-CB 3.33Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 3.09Å; C48-L139 HydrophobicContact CB-CD1 4.15Å; C48-L139 HydrophobicContact CB-CD2 3.97Å; C48-Y142 HydrophobicContact CB-CD1 4.12Å; C48-Y142 HydrophobicContact CB-CD2 3.9Å; C48-Y142 HydrophobicContact CB-CE1 3.94Å; C48-Y142 HydrophobicContact CB-CE2 3.71Å; C48-Y142 HydrophobicContact CB-CG 4.11Å; C48-Y142 VanDerWaalsContact SG-CZ 3.51Å; C48-Y142 PolarHBondContact SG-OH 3.25Å
49L98.9Very high98.7Very high0 Ų039.4 Ų39.40%021%0.205CC..Hα-helixtrans-53.7-55.3175.7173.268000111.4N45 W46 K51 W52 E53 F75 W127 W130N45-L49 WeakPolarHBondContact O-CB 3.3Å; N45-L49 PolarHBondContact O-N 2.87Å; W46-L49 HydrophobicContact CE3-CD2 3.85Å; W46-L49 HydrophobicContact CZ3-CD2 3.91Å; W46-L49 PolarHBondContact O-N 3.11Å; L49-K51 PolarHBondContact O-N 3.37Å; L49-W52 PolarHBondContact O-N 3.34Å; L49-E53 HydrophobicContact CD1-CG 3.49Å; L49-E53 VanDerWaalsContact CD1-CG 3.49Å; L49-E53 HydrophobicContact CG-CG 4.13Å; L49-E53 WeakPolarHBondContact O-CB 3.38Å; L49-E53 VanDerWaalsContact O-CG 3.32Å; L49-E53 WeakPolarHBondContact O-CG 3.41Å; L49-E53 PolarHBondContact O-N 2.96Å; L49-F75 HydrophobicContact CD2-CD1 4.18Å; L49-W127 HydrophobicContact CD1-CB 3.38Å; L49-W127 HydrophobicContact CD1-CD2 4.07Å; L49-W127 HydrophobicContact CD1-CG 3.37Å; L49-W127 HydrophobicContact CD2-CD2 3.9Å; L49-W127 HydrophobicContact CD2-CE3 4.37Å; L49-W127 HydrophobicContact CD2-CG 4.1Å; L49-W127 HydrophobicContact CD2-CZ2 4.32Å; L49-W127 HydrophobicContact CG-CG 4.36Å; L49-W130 HydrophobicContact CD1-CB 3.84Å
50A98.9Very high98.7Very high0 Ų031.9 Ų31.90%018%0.18CC..Hα-helixtrans-62.1-30.9-178.300000113L26 W46 M47 C48 S54 N55 Y56 I74 F75L26-A50 HydrophobicContact CD2-CB 3.89Å; W46-A50 PolarHBondContact O-N 3.34Å; M47-A50 PolarHBondContact O-N 3.42Å; C48-A50 PolarHBondContact O-N 3.44Å; A50-S54 PolarHBondContact O-N 3.35Å; A50-S54 PolarHBondContact O-OG 3.22Å; A50-N55 PolarHBondContact O-N 2.99Å; A50-Y56 HydrophobicContact CB-CD1 3.87Å; A50-Y56 HydrophobicContact CB-CE1 4.14Å; A50-Y56 PolarHBondContact O-N 2.91Å; A50-I74 HydrophobicContact CB-CG1 4.21Å; A50-F75 HydrophobicContact CB-CD1 4.32Å; A50-F75 HydrophobicContact CB-CE1 4.15Å
51K98.8Very high98.7Very high69 Ų6932.2 Ų32.230%0.317%0.168SC..Hα-helixtrans-64.5-45.4176.1178.163.5-172.981.20111.8M47 C48 L49 N55 Y56 Y142M47-K51 PolarHBondContact O-N 3.34Å; C48-K51 WeakPolarHBondContact O-CB 3.19Å; C48-K51 PolarHBondContact O-N 3.39Å; L49-K51 PolarHBondContact O-N 3.37Å; K51-N55 VanDerWaalsContact CE-OD1 3.28Å; K51-N55 WeakPolarHBondContact CE-OD1 3.41Å; K51-N55 PolarHBondContact NZ-OD1 3.49Å; K51-N55 VanDerWaalsContact O-CA 3.28Å; K51-N55 WeakPolarHBondContact O-CA 3.44Å; K51-N55 PolarHBondContact O-N 3.05Å; K51-N55 VanDerWaalsContact O-N 3.11Å; K51-Y56 VanDerWaalsContact CA-CE1 3.47Å; K51-Y56 HydrophobicContact CB-CD1 4.46Å; K51-Y56 HydrophobicContact CB-CE1 3.61Å; K51-Y56 HydrophobicContact CD-CE1 4.32Å; K51-Y56 HydrophobicContact CD-CE2 3.84Å; K51-Y56 VanDerWaalsContact N-CE1 3.34Å; K51-Y142 HydrophobicContact CB-CD1 4.42Å; K51-Y142 HydrophobicContact CB-CE1 3.87Å; K51-Y142 HydrophobicContact CG-CE1 4.02Å
52W98.8Very high98.7Very high116 Ų11635.3 Ų35.344%0.43918%0.184SC..Hα-helixtrans-87.6-25.2-172.9-71.1105.2000113.4C48 L49 A129 H133 Y142C48-W52 PolarHBondContact O-N 3.14Å; L49-W52 PolarHBondContact O-N 3.34Å; W52-A129 HydrophobicContact CB-CB 3.95Å; W52-H133 HydrophobicContact CB-CB 4.25Å; W52-H133 VanDerWaalsContact CD1-CB 3.45Å; W52-H133 HydrophobicContact CD2-CB 3.58Å; W52-H133 AromaticContact CD2-CD2 3.84Å; W52-H133 AromaticContact CD2-CG 3.48Å; W52-H133 VanDerWaalsContact CD2-CG 3.48Å; W52-H133 AromaticContact CD2-ND1 3.86Å; W52-H133 AromaticContact CE2-CG 3.84Å; W52-H133 HydrophobicContact CE3-CB 4.31Å; W52-H133 AromaticContact CE3-CD2 3.8Å; W52-H133 AromaticContact CE3-CE1 3.82Å; W52-H133 AromaticContact CE3-CG 3.7Å; W52-H133 AromaticContact CE3-ND1 3.71Å; W52-H133 AromaticContact CE3-NE2 3.91Å; W52-H133 HydrophobicContact CG-CB 3.51Å; W52-H133 AromaticContact CG-CD2 3.93Å; W52-H133 AromaticContact CG-CG 3.75Å; W52-H133 AromaticContact CH2-ND1 3.96Å; W52-H133 HydrophobicContact CZ2-CB 4.33Å; W52-H133 AromaticContact CZ3-CE1 3.84Å; W52-H133 AromaticContact CZ3-ND1 3.76Å; W52-Y142 PolarHBondContact NE1-OH 3.35Å
53E98.7Very high98.7Very high43 Ų4338.8 Ų38.820%0.20119%0.191CC..Hα-helixtrans-78-46.1175.4-71-64.4176.300112.1L49 Q76 A129L49-E53 HydrophobicContact CD1-CG 3.49Å; L49-E53 VanDerWaalsContact CD1-CG 3.49Å; L49-E53 HydrophobicContact CG-CG 4.13Å; L49-E53 WeakPolarHBondContact O-CB 3.38Å; L49-E53 VanDerWaalsContact O-CG 3.32Å; L49-E53 WeakPolarHBondContact O-CG 3.41Å; L49-E53 PolarHBondContact O-N 2.96Å; E53-Q76 HydrophobicContact CB-CB 3.96Å; E53-Q76 HydrophobicContact CB-CG 3.69Å; E53-Q76 HydrophobicContact CG-CB 4.31Å; E53-Q76 WeakPolarHBondContact O-CG 3.46Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.39Å; E53-A129 HydrophobicContact CG-CB 3.92Å; E53-A129 WeakPolarHBondContact OE1-CB 3.28Å; E53-A129 PolarHBondContact OE1-N 3.35Å
54S98.7Very high98.6Very high12 Ų1240.6 Ų40.68%0.08420%0.2CC..Hα-helixtrans-136.22-170.779.70000115.6A50 Y56 N57 I74A50-S54 PolarHBondContact O-N 3.35Å; A50-S54 PolarHBondContact O-OG 3.22Å; S54-Y56 PolarHBondContact O-N 3.39Å; S54-Y56 PolarHBondContact OG-N 2.87Å; S54-N57 WeakPolarHBondContact CB-O 3.45Å; S54-N57 VanDerWaalsContact O-CB 3.24Å; S54-N57 WeakPolarHBondContact O-CB 3.42Å; S54-N57 PolarHBondContact O-N 3.17Å; S54-N57 VanDerWaalsContact O-N 3.09Å; S54-N57 PolarHBondContact OG-N 3.03Å; S54-N57 PolarHBondContact OG-O 3.47Å; S54-N57 VanDerWaalsContact OG-O 3.05Å; S54-I74 WeakPolarHBondContact OG-CA 3.45Å; S54-I74 PolarHBondContact OG-O 2.81Å
55N98.6Very high98.5Very high91 Ų9144.5 Ų44.549%0.48723%0.225SC..THydrogen-bonded Turntrans52.640.4-168.3-165.451.3000112.2A50 K51 N57A50-N55 PolarHBondContact O-N 2.99Å; K51-N55 VanDerWaalsContact CE-OD1 3.28Å; K51-N55 WeakPolarHBondContact CE-OD1 3.41Å; K51-N55 PolarHBondContact NZ-OD1 3.49Å; K51-N55 VanDerWaalsContact O-CA 3.28Å; K51-N55 WeakPolarHBondContact O-CA 3.44Å; K51-N55 PolarHBondContact O-N 3.05Å; K51-N55 VanDerWaalsContact O-N 3.11Å; N55-N57 PolarHBondContact O-N 2.92Å
56Y98.7Very high98.4Very high19 Ų1947.1 Ų47.18%0.07526%0.26CS..THydrogen-bonded Turntrans63.511.6-177.5-45-45.1000115.8F21 R23 L26 M47 A50 K51 S54F21-Y56 PolarHBondContact N-O 2.95Å; F21-Y56 WeakPolarHBondContact O-CB 3.39Å; R23-Y56 HydrophobicContact CB-CE2 4.15Å; R23-Y56 HydrophobicContact CG-CE2 4.44Å; L26-Y56 HydrophobicContact CD2-CD1 3.35Å; L26-Y56 HydrophobicContact CD2-CE1 3.87Å; L26-Y56 HydrophobicContact CD2-CG 3.98Å; M47-Y56 HydrophobicContact CE-CE1 3.92Å; M47-Y56 WeakPolarHBondContact O-CE1 3.35Å; A50-Y56 HydrophobicContact CB-CD1 3.87Å; A50-Y56 HydrophobicContact CB-CE1 4.14Å; A50-Y56 PolarHBondContact O-N 2.91Å; K51-Y56 VanDerWaalsContact CA-CE1 3.47Å; K51-Y56 HydrophobicContact CB-CD1 4.46Å; K51-Y56 HydrophobicContact CB-CE1 3.61Å; K51-Y56 HydrophobicContact CD-CE1 4.32Å; K51-Y56 HydrophobicContact CD-CE2 3.84Å; K51-Y56 VanDerWaalsContact N-CE1 3.34Å; S54-Y56 PolarHBondContact O-N 3.39Å; S54-Y56 PolarHBondContact OG-N 2.87Å
57N98.6Very high98.2Very high49 Ų4948.9 Ų48.926%0.26227%0.272SS..BIsolated β-bridgetrans-81.6124.9176.8-175.9-3.9000110.6S54 N55 Q59 A60S54-N57 WeakPolarHBondContact CB-O 3.45Å; S54-N57 VanDerWaalsContact O-CB 3.24Å; S54-N57 WeakPolarHBondContact O-CB 3.42Å; S54-N57 PolarHBondContact O-N 3.17Å; S54-N57 VanDerWaalsContact O-N 3.09Å; S54-N57 PolarHBondContact OG-N 3.03Å; S54-N57 PolarHBondContact OG-O 3.47Å; S54-N57 VanDerWaalsContact OG-O 3.05Å; N55-N57 PolarHBondContact O-N 2.92Å; N57-Q59 PolarHBondContact OD1-N 3.01Å; N57-A60 HydrophobicContact CB-CB 4.29Å
58T98.6Very high98.2Very high0 Ų056 Ų560%030%0.299CS..THydrogen-bonded Turntrans-75-22.9178.255.80000113.6K19 F21 G73 I74 L103 I107K19-T58 HydrophobicContact CB-CG2 4.32Å; K19-T58 PolarHBondContact N-OG1 3.16Å; K19-T58 WeakPolarHBondContact O-CB 3.39Å; K19-T58 WeakPolarHBondContact O-CG2 3.3Å; K19-T58 PolarHBondContact O-N 3.44Å; K19-T58 PolarHBondContact O-OG1 3.18Å; F21-T58 HydrophobicContact CD2-CG2 3.98Å; F21-T58 HydrophobicContact CE2-CG2 3.66Å; T58-G73 WeakPolarHBondContact O-CA 3.44Å; T58-I74 HydrophobicContact CG2-CD1 4.35Å; T58-L103 WeakPolarHBondContact O-CA 3.47Å; T58-I107 HydrophobicContact CG2-CG2 3.62Å
59Q97.8Very high98.2Very high68 Ų6856 Ų5632%0.31830%0.299SS..THydrogen-bonded Turntrans-99.38.6179.9-72-171.1700113.7V16 G18 N57 T61V16-Q59 PolarHBondContact O-NE2 3.2Å; G18-Q59 VanDerWaalsContact CA-CG 3.45Å; G18-Q59 VanDerWaalsContact N-CD 3.34Å; G18-Q59 VanDerWaalsContact N-NE2 3.17Å; N57-Q59 PolarHBondContact OD1-N 3.01Å; Q59-T61 PolarHBondContact O-N 3.14Å
60A98.3Very high98.2Very high18 Ų1856.4 Ų56.415%0.14930%0.301CS..  trans-61.2132.717800000111.2N57 G73 Q76N57-A60 HydrophobicContact CB-CB 4.29Å; A60-G73 PolarHBondContact O-N 2.84Å; A60-Q76 PolarHBondContact O-NE2 2.97Å
61T98.5Very high98.2Very high82 Ų8257.4 Ų57.450%0.50331%0.306SS..EExtended strand (participates in β ladder)trans-134.7140171.859.10000110.6Q59 D71 Y72 L103Q59-T61 PolarHBondContact O-N 3.14Å; T61-D71 VanDerWaalsContact CA-O 3.25Å; T61-D71 WeakPolarHBondContact CA-O 3.2Å; T61-Y72 HydrophobicContact CG2-CD1 3.95Å; T61-Y72 HydrophobicContact CG2-CE1 4.21Å; T61-L103 HydrophobicContact CG2-CD1 4.29Å; T61-L103 HydrophobicContact CG2-CD2 3.85Å
62N98.5Very high98.2Very high77 Ų7755 Ų5541%0.41230%0.296SS..EExtended strand (participates in β ladder)trans-129121.1175.6175.453.4000110.1N64 T70 D71N62-N64 PolarHBondContact ND2-OD1 3.01Å; N62-T70 CarbonylContact O-C 3.53Å; N62-T70 VanDerWaalsContact O-CA 3.31Å; N62-T70 WeakPolarHBondContact O-CA 3.31Å; N62-T70 WeakPolarHBondContact O-CG2 3.42Å; N62-D71 HydrophobicContact CB-CB 4.25Å; N62-D71 PolarHBondContact N-O 3.02Å; N62-D71 VanDerWaalsContact N-O 3.15Å; N62-D71 PolarHBondContact ND2-OD2 3.21Å; N62-D71 VanDerWaalsContact ND2-OD2 3.16Å; N62-D71 PolarHBondContact O-N 2.9Å
63Y98.6Very high98.2Very high119 Ų11949.5 Ų49.547%0.46728%0.275SS..EExtended strand (participates in β ladder)trans-87.7134.6177.8-179.5-113.8000110.5P65 S69Y63-P65 HydrophobicContact CD1-CG 4.09Å; Y63-P65 HydrophobicContact CE1-CB 4.22Å; Y63-P65 HydrophobicContact CE1-CG 4.1Å; Y63-P65 WeakPolarHBondContact O-CD 3.46Å; Y63-S69 WeakPolarHBondContact CD2-O 3.4Å
64N98.1Very high98.2Very high45 Ų4547.4 Ų47.424%0.24127%0.265CS..EExtended strand (participates in β ladder)trans-110.296.9-178.7-64.3-72.1000110N62 G66 S67 R68 S69 D71N62-N64 PolarHBondContact ND2-OD1 3.01Å; N64-G66 PolarHBondContact O-N 3Å; N64-S67 WeakPolarHBondContact CB-OG 3.38Å; N64-S67 PolarHBondContact O-N 2.66Å; N64-R68 WeakPolarHBondContact O-CA 3.47Å; N64-R68 PolarHBondContact O-N 3.18Å; N64-S69 WeakPolarHBondContact CB-O 3.19Å; N64-S69 PolarHBondContact N-O 3.27Å; N64-S69 PolarHBondContact O-N 3.33Å; N64-D71 VanDerWaalsContact ND2-CG 3.35Å; N64-D71 PolarHBondContact ND2-OD1 2.77Å; N64-D71 PolarHBondContact ND2-OD2 3.37Å
65P96.6Very high98.2Very high95 Ų9546.9 Ų46.962%0.61726%0.261SS*.THydrogen-bonded Turntrans-60.8-40.1-172.1-2534.6000113.6Y63 S67 R68Y63-P65 HydrophobicContact CD1-CG 4.09Å; Y63-P65 HydrophobicContact CE1-CB 4.22Å; Y63-P65 HydrophobicContact CE1-CG 4.1Å; Y63-P65 WeakPolarHBondContact O-CD 3.46Å; P65-S67 VanDerWaalsContact C-N 3.28Å; P65-S67 PolarHBondContact O-N 3.28Å; P65-R68 PolarHBondContact O-N 3.3Å
66G95.8Very high98.2Very high87 Ų8743.3 Ų43.390%0.89724%0.241SC*.THydrogen-bonded Turntrans-63.6-31.6-176.900000113.9N64N64-G66 PolarHBondContact O-N 3Å
67S95.5Very high98.2Very high37 Ų3742.5 Ų42.526%0.25924%0.239SC..THydrogen-bonded Turntrans-104.7-4.4176.561.10000112.9N64 P65 S69 R80N64-S67 WeakPolarHBondContact CB-OG 3.38Å; N64-S67 PolarHBondContact O-N 2.66Å; P65-S67 VanDerWaalsContact C-N 3.28Å; P65-S67 PolarHBondContact O-N 3.28Å; S67-S69 PolarHBondContact O-N 2.92Å; S67-S69 VanDerWaalsContact O-N 3.15Å; S67-S69 PolarHBondContact OG-OG 2.8Å; S67-R80 PolarHBondContact O-NH2 2.98Å
68R98.2Very high98.2Very high149 Ų14941.3 Ų41.356%0.56223%0.232SC*.THydrogen-bonded Turntrans48.138.9-171.9-59.9-178.2-76.6174.9-5.2111.9N64 P65 P89N64-R68 WeakPolarHBondContact O-CA 3.47Å; N64-R68 PolarHBondContact O-N 3.18Å; P65-R68 PolarHBondContact O-N 3.3Å; R68-P89 HydrophobicContact CB-CG 4.29Å; R68-P89 WeakPolarHBondContact O-CD 3.4Å
69S98.7Very high98.2Very high1 Ų141.3 Ų41.31%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-117.3163.4176.568.50000109.7Y63 N64 S67 N78Y63-S69 WeakPolarHBondContact CD2-O 3.4Å; N64-S69 WeakPolarHBondContact CB-O 3.19Å; N64-S69 PolarHBondContact N-O 3.27Å; N64-S69 PolarHBondContact O-N 3.33Å; S67-S69 PolarHBondContact O-N 2.92Å; S67-S69 VanDerWaalsContact O-N 3.15Å; S67-S69 PolarHBondContact OG-OG 2.8Å; S69-N78 PolarHBondContact OG-ND2 3.07Å; S69-N78 PolarHBondContact OG-OD1 2.92Å
70T98.9Very high98.3Very high7 Ų740.5 Ų40.54%0.04323%0.226CC..EExtended strand (participates in β ladder)trans-126.4141.4176.1-42.90000109.9N62 Y72 S79N62-T70 CarbonylContact O-C 3.53Å; N62-T70 VanDerWaalsContact O-CA 3.31Å; N62-T70 WeakPolarHBondContact O-CA 3.31Å; N62-T70 WeakPolarHBondContact O-CG2 3.42Å; T70-Y72 VanDerWaalsContact CB-CE2 3.43Å; T70-Y72 WeakPolarHBondContact CB-OH 3.47Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 4.2Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 VanDerWaalsContact O-CD2 3.23Å; T70-Y72 WeakPolarHBondContact O-CD2 3.45Å; T70-Y72 WeakPolarHBondContact O-CE2 3.43Å; T70-S79 PolarHBondContact N-OG 3.03Å; T70-S79 WeakPolarHBondContact O-CB 3.18Å; T70-S79 PolarHBondContact O-N 3.18Å; T70-S79 PolarHBondContact O-OG 3.11Å
71D98.9Very high98.3Very high21 Ų2145.3 Ų45.311%0.11224%0.241CC..EExtended strand (participates in β ladder)trans-91.3140170.1-55.5-45.9000110.1T61 N62 N64 Q76 N78T61-D71 VanDerWaalsContact CA-O 3.25Å; T61-D71 WeakPolarHBondContact CA-O 3.2Å; N62-D71 HydrophobicContact CB-CB 4.25Å; N62-D71 PolarHBondContact N-O 3.02Å; N62-D71 VanDerWaalsContact N-O 3.15Å; N62-D71 PolarHBondContact ND2-OD2 3.21Å; N62-D71 VanDerWaalsContact ND2-OD2 3.16Å; N62-D71 PolarHBondContact O-N 2.9Å; N64-D71 VanDerWaalsContact ND2-CG 3.35Å; N64-D71 PolarHBondContact ND2-OD1 2.77Å; N64-D71 PolarHBondContact ND2-OD2 3.37Å; D71-Q76 HydrophobicContact CB-CB 3.86Å; D71-Q76 HydrophobicContact CB-CG 4.45Å; D71-N78 WeakPolarHBondContact OD1-CA 3.37Å; D71-N78 WeakPolarHBondContact OD1-CB 3.1Å; D71-N78 PolarHBondContact OD1-ND2 2.86Å
72Y98.9Very high98.3Very high19 Ų1942.9 Ų42.98%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-127.4132.7-171-68-91.4000113.6T61 T70 Q76 I77 D85 C99 L103T61-Y72 HydrophobicContact CG2-CD1 3.95Å; T61-Y72 HydrophobicContact CG2-CE1 4.21Å; T70-Y72 VanDerWaalsContact CB-CE2 3.43Å; T70-Y72 WeakPolarHBondContact CB-OH 3.47Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 4.2Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 VanDerWaalsContact O-CD2 3.23Å; T70-Y72 WeakPolarHBondContact O-CD2 3.45Å; T70-Y72 WeakPolarHBondContact O-CE2 3.43Å; Y72-Q76 WeakPolarHBondContact O-CA 3.4Å; Y72-Q76 PolarHBondContact O-N 2.97Å; Y72-I77 PolarHBondContact N-O 2.88Å; Y72-I77 PolarHBondContact O-N 2.68Å; Y72-D85 HydrophobicContact CE2-CB 4.16Å; Y72-D85 VanDerWaalsContact OH-CB 3.22Å; Y72-D85 WeakPolarHBondContact OH-CB 3.32Å; Y72-D85 PolarHBondContact OH-OD2 3.29Å; Y72-C99 HydrophobicContact CD1-CB 3.85Å; Y72-C99 HydrophobicContact CD2-CB 3.64Å; Y72-C99 HydrophobicContact CE1-CB 3.85Å; Y72-C99 HydrophobicContact CE2-CB 3.6Å; Y72-C99 HydrophobicContact CG-CB 3.77Å; Y72-L103 HydrophobicContact CD1-CD1 4Å; Y72-L103 HydrophobicContact CD1-CD2 4.07Å; Y72-L103 HydrophobicContact CD1-CG 4.1Å; Y72-L103 HydrophobicContact CE1-CD1 4.4Å
73G98.7Very high98.3Very high0 Ų039.2 Ų39.20%020%0.204CC..G310 helixtrans71.8-160.4162.900000115.4T58 A60 F75 Q76 L102T58-G73 WeakPolarHBondContact O-CA 3.44Å; A60-G73 PolarHBondContact O-N 2.84Å; G73-F75 PolarHBondContact O-N 2.85Å; G73-Q76 PolarHBondContact O-N 3.37Å; G73-Q76 PolarHBondContact O-NE2 2.85Å; G73-L102 WeakPolarHBondContact CA-O 3.41Å
74I98.8Very high98.3Very high0 Ų037.5 Ų37.50%020%0.202CC..G310 helixtrans-61.9-21.8-167.6-160.9166.6000114.7F21 L26 A50 S54 T58 I107 A110F21-I74 HydrophobicContact CD2-CD1 3.96Å; F21-I74 HydrophobicContact CE2-CD1 4.34Å; L26-I74 HydrophobicContact CD1-CD1 3.59Å; L26-I74 HydrophobicContact CD2-CD1 3.88Å; L26-I74 HydrophobicContact CG-CD1 4.41Å; A50-I74 HydrophobicContact CB-CG1 4.21Å; S54-I74 WeakPolarHBondContact OG-CA 3.45Å; S54-I74 PolarHBondContact OG-O 2.81Å; T58-I74 HydrophobicContact CG2-CD1 4.35Å; I74-I107 HydrophobicContact CD1-CD1 4.5Å; I74-I107 HydrophobicContact CD1-CG2 4.3Å; I74-I107 HydrophobicContact CG2-CG2 4.14Å; I74-A110 HydrophobicContact CG2-CB 4.22Å
75F98.9Very high98.4Very high1 Ų137 Ų370%0.00420%0.2CC..G310 helixtrans-113.69.2177.5-56.8-55.6000112.9L30 L35 W46 L49 A50 G73 I77 A110 V111 A114 W127L30-F75 HydrophobicContact CD2-CZ 3.91Å; L35-F75 HydrophobicContact CD1-CZ 4.15Å; W46-F75 HydrophobicContact CE3-CE1 4.48Å; L49-F75 HydrophobicContact CD2-CD1 4.18Å; A50-F75 HydrophobicContact CB-CD1 4.32Å; A50-F75 HydrophobicContact CB-CE1 4.15Å; G73-F75 PolarHBondContact O-N 2.85Å; F75-I77 VanDerWaalsContact C-N 3.29Å; F75-I77 HydrophobicContact CB-CD1 4.12Å; F75-I77 HydrophobicContact CB-CG1 4Å; F75-I77 HydrophobicContact CD2-CD1 4.39Å; F75-I77 PolarHBondContact O-N 3.02Å; F75-A110 HydrophobicContact CD2-CB 4.13Å; F75-A110 HydrophobicContact CE2-CB 4.26Å; F75-V111 HydrophobicContact CE2-CG2 3.92Å; F75-V111 HydrophobicContact CZ-CG2 4.18Å; F75-A114 HydrophobicContact CD2-CB 3.81Å; F75-A114 HydrophobicContact CE2-CB 4.05Å; F75-A114 HydrophobicContact CG-CB 4.37Å; F75-W127 PolarHBondContact O-NE1 3.07Å
76Q98.8Very high98.4Very high15 Ų1535.9 Ų35.97%0.0721%0.205CC..THydrogen-bonded Turntrans45.851.4-178.1-69.4-61.7-82.200112.7E53 A60 D71 Y72 G73 N78E53-Q76 HydrophobicContact CB-CB 3.96Å; E53-Q76 HydrophobicContact CB-CG 3.69Å; E53-Q76 HydrophobicContact CG-CB 4.31Å; E53-Q76 WeakPolarHBondContact O-CG 3.46Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.39Å; A60-Q76 PolarHBondContact O-NE2 2.97Å; D71-Q76 HydrophobicContact CB-CB 3.86Å; D71-Q76 HydrophobicContact CB-CG 4.45Å; Y72-Q76 WeakPolarHBondContact O-CA 3.4Å; Y72-Q76 PolarHBondContact O-N 2.97Å; G73-Q76 PolarHBondContact O-N 3.37Å; G73-Q76 PolarHBondContact O-NE2 2.85Å; Q76-N78 PolarHBondContact O-N 3.01Å
77I98.9Very high98.5Very high3 Ų338 Ų382%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-74.7122.2-177.5-72.8165.2000109.2Y72 F75 W82 L102 C113 A114Y72-I77 PolarHBondContact N-O 2.88Å; Y72-I77 PolarHBondContact O-N 2.68Å; F75-I77 VanDerWaalsContact C-N 3.29Å; F75-I77 HydrophobicContact CB-CD1 4.12Å; F75-I77 HydrophobicContact CB-CG1 4Å; F75-I77 HydrophobicContact CD2-CD1 4.39Å; F75-I77 PolarHBondContact O-N 3.02Å; I77-W82 HydrophobicContact CG2-CB 3.31Å; I77-W82 HydrophobicContact CG2-CG 3.76Å; I77-L102 HydrophobicContact CB-CD1 3.88Å; I77-L102 HydrophobicContact CD1-CD2 4.09Å; I77-L102 HydrophobicContact CG2-CD1 3.81Å; I77-C113 HydrophobicContact CD1-CB 3.99Å; I77-A114 HydrophobicContact CD1-CB 4.45Å
78N98.8Very high98.7Very high24 Ų2436.8 Ų36.813%0.12818%0.181CC..EExtended strand (participates in β ladder)trans-77.7131.5-173-170.3-88000113.7S69 D71 Q76 R80 Y81 W82S69-N78 PolarHBondContact OG-ND2 3.07Å; S69-N78 PolarHBondContact OG-OD1 2.92Å; D71-N78 WeakPolarHBondContact OD1-CA 3.37Å; D71-N78 WeakPolarHBondContact OD1-CB 3.1Å; D71-N78 PolarHBondContact OD1-ND2 2.86Å; Q76-N78 PolarHBondContact O-N 3.01Å; N78-R80 VanDerWaalsContact C-N 3.3Å; N78-R80 PolarHBondContact O-N 2.91Å; N78-R80 WeakPolarHBondContact OD1-CA 3.49Å; N78-R80 WeakPolarHBondContact OD1-CB 3.49Å; N78-R80 PolarHBondContact OD1-N 3.48Å; N78-Y81 PolarHBondContact O-N 3.13Å; N78-W82 VanDerWaalsContact O-CD1 3.31Å; N78-W82 PolarHBondContact O-N 3.08Å; N78-W82 VanDerWaalsContact O-N 3.09Å
79S98.8Very high98.6Very high0 Ų031.4 Ų31.40%017%0.165CC..THydrogen-bonded Turntrans-66.1-18.3177.741.90000115.5T70 Y81 T88 A91T70-S79 PolarHBondContact N-OG 3.03Å; T70-S79 WeakPolarHBondContact O-CB 3.18Å; T70-S79 PolarHBondContact O-N 3.18Å; T70-S79 PolarHBondContact O-OG 3.11Å; S79-Y81 PolarHBondContact O-N 3.24Å; S79-T88 WeakPolarHBondContact CB-OG1 3.05Å; S79-T88 PolarHBondContact OG-OG1 3.16Å; S79-A91 WeakPolarHBondContact O-CB 3.33Å
80R98.7Very high98.5Very high51 Ų5141.4 Ų41.419%0.19220%0.203CC..THydrogen-bonded Turntrans-62.3-35.3175.3-179.460.97377.7-4.1111.5S67 N78 T88 P89 A91 H92S67-R80 PolarHBondContact O-NH2 2.98Å; N78-R80 VanDerWaalsContact C-N 3.3Å; N78-R80 PolarHBondContact O-N 2.91Å; N78-R80 WeakPolarHBondContact OD1-CA 3.49Å; N78-R80 WeakPolarHBondContact OD1-CB 3.49Å; N78-R80 PolarHBondContact OD1-N 3.48Å; R80-T88 HydrophobicContact CB-CG2 4.31Å; R80-P89 PolarHBondContact NE-O 3.05Å; R80-A91 VanDerWaalsContact O-CA 3.3Å; R80-A91 WeakPolarHBondContact O-CA 2.98Å; R80-H92 PolarHBondContact O-N 3.45Å
81Y98.7Very high98.4Very high119 Ų11942.9 Ų42.947%0.46722%0.215SC..THydrogen-bonded Turntrans-114.7-40.3-169.5-51.6-69.9000112.7N78 S79 N93 A94N78-Y81 PolarHBondContact O-N 3.13Å; S79-Y81 PolarHBondContact O-N 3.24Å; Y81-N93 PolarHBondContact O-N 3.18Å; Y81-A94 WeakPolarHBondContact O-CB 3.43Å; Y81-A94 PolarHBondContact O-N 3.43Å
82W98.9Very high98.3Very high31 Ų3148.6 Ų48.612%0.11724%0.241CC..THydrogen-bonded Turntrans-108.2-38.1-156.9-55.8113.7000114.7I77 N78 N93 A94 C95 R116 V117 D120I77-W82 HydrophobicContact CG2-CB 3.31Å; I77-W82 HydrophobicContact CG2-CG 3.76Å; N78-W82 VanDerWaalsContact O-CD1 3.31Å; N78-W82 PolarHBondContact O-N 3.08Å; N78-W82 VanDerWaalsContact O-N 3.09Å; W82-N93 CarbonylContact O-C 3.58Å; W82-N93 PolarHBondContact O-OD1 2.92Å; W82-A94 HydrophobicContact CE3-CB 3.84Å; W82-A94 HydrophobicContact CZ3-CB 4.05Å; W82-A94 PolarHBondContact O-N 3.17Å; W82-C95 WeakPolarHBondContact O-CB 3.03Å; W82-C95 PolarHBondContact O-N 3.2Å; W82-R116 HydrophobicContact CZ3-CG 4.41Å; W82-V117 HydrophobicContact CD2-CG2 3.54Å; W82-V117 HydrophobicContact CE3-CG2 3.71Å; W82-V117 HydrophobicContact CG-CG2 4.06Å; W82-V117 HydrophobicContact CH2-CB 4.15Å; W82-V117 HydrophobicContact CH2-CG1 4.08Å; W82-V117 HydrophobicContact CH2-CG2 4.12Å; W82-V117 HydrophobicContact CZ2-CB 4.14Å; W82-V117 HydrophobicContact CZ2-CG1 3.7Å; W82-V117 HydrophobicContact CZ2-CG2 3.94Å; W82-V117 HydrophobicContact CZ3-CB 4.34Å; W82-V117 HydrophobicContact CZ3-CG2 4Å; W82-D120 WeakPolarHBondContact CH2-OD2 3.3Å
83C98.9Very high98.3Very high0 Ų050 Ų500%025%0.25CS..  trans-132164-177.265.20000111.3N93 I97 C99 L102C83-N93 WeakPolarHBondContact CA-OD1 3.46Å; C83-I97 WeakPolarHBondContact CA-O 3.39Å; C83-I97 HydrophobicContact CB-CG1 4.17Å; C83-C99 HydrophobicContact CB-CB 3.95Å; C83-C99 WeakPolarHBondContact CB-SG 3.32Å; C83-C99 VanDerWaalsContact SG-CA 3.51Å; C83-C99 WeakPolarHBondContact SG-CB 3.36Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 3.32Å; C83-L102 HydrophobicContact CB-CD1 3.9Å; C83-L102 VanDerWaalsContact SG-CD1 3.56Å
84N98.8Very high98.3Very high82 Ų8252 Ų5244%0.43927%0.266SS..BIsolated β-bridgetrans-102.3122.1175.8-176.118.3000111.8G86 N93 I97 P98 C99N84-G86 PolarHBondContact OD1-N 2.04Å; N84-N93 HydrophobicContact CB-CB 4.25Å; N84-I97 PolarHBondContact N-O 3.2Å; N84-P98 CarbonylContact O-C 3.57Å; N84-P98 VanDerWaalsContact O-CA 3.32Å; N84-P98 WeakPolarHBondContact O-CA 3.39Å; N84-C99 PolarHBondContact O-N 3.23Å
85D98.6Very high98.3Very high36 Ų3653.3 Ų53.319%0.19328%0.276CS..  trans-108.31.8173.869.2-7.2000113.5Y72 K87 T88 C99Y72-D85 HydrophobicContact CE2-CB 4.16Å; Y72-D85 VanDerWaalsContact OH-CB 3.22Å; Y72-D85 WeakPolarHBondContact OH-CB 3.32Å; Y72-D85 PolarHBondContact OH-OD2 3.29Å; D85-K87 HydrophobicContact CB-CG 4.31Å; D85-K87 VanDerWaalsContact CG-CG 3.44Å; D85-K87 PolarHBondContact O-N 2.82Å; D85-K87 PolarHBondContact OD1-N 3.29Å; D85-K87 WeakPolarHBondContact OD2-CE 3.05Å; D85-K87 VanDerWaalsContact OD2-CG 3.23Å; D85-K87 WeakPolarHBondContact OD2-CG 3.32Å; D85-T88 VanDerWaalsContact CG-OG1 3.25Å; D85-T88 VanDerWaalsContact OD1-CB 3.28Å; D85-T88 WeakPolarHBondContact OD1-CB 3.37Å; D85-T88 PolarHBondContact OD1-N 2.84Å; D85-T88 PolarHBondContact OD1-OG1 2.99Å; D85-T88 PolarHBondContact OD2-OG1 2.96Å; D85-C99 HydrophobicContact CB-CB 4.06Å
86G98.3Very high98.3Very high71 Ų7156.1 Ų56.173%0.73230%0.304SS*.SBendtrans72.9-3.5179.900000115.6N84N84-G86 PolarHBondContact OD1-N 2.04Å
87K97.9Very high98.3Very high131 Ų13156.7 Ų56.757%0.5731%0.308SS*.  trans-127.7-18.3-174.962.2177.9-178.7173.10114D85 P89D85-K87 HydrophobicContact CB-CG 4.31Å; D85-K87 VanDerWaalsContact CG-CG 3.44Å; D85-K87 PolarHBondContact O-N 2.82Å; D85-K87 PolarHBondContact OD1-N 3.29Å; D85-K87 WeakPolarHBondContact OD2-CE 3.05Å; D85-K87 VanDerWaalsContact OD2-CG 3.23Å; D85-K87 WeakPolarHBondContact OD2-CG 3.32Å; K87-P89 WeakPolarHBondContact O-CD 3.32Å
88T98.6Very high98.3Very high12 Ų1259.9 Ų59.97%0.07433%0.329CS..SBendtrans-75.2119.2179-64.80000111S79 R80 D85 A91S79-T88 WeakPolarHBondContact CB-OG1 3.05Å; S79-T88 PolarHBondContact OG-OG1 3.16Å; R80-T88 HydrophobicContact CB-CG2 4.31Å; D85-T88 VanDerWaalsContact CG-OG1 3.25Å; D85-T88 VanDerWaalsContact OD1-CB 3.28Å; D85-T88 WeakPolarHBondContact OD1-CB 3.37Å; D85-T88 PolarHBondContact OD1-N 2.84Å; D85-T88 PolarHBondContact OD1-OG1 2.99Å; D85-T88 PolarHBondContact OD2-OG1 2.96Å; T88-A91 HydrophobicContact CG2-CB 4.22Å
89P97.4Very high98.3Very high36 Ų3658.8 Ų58.823%0.23432%0.323CS..THydrogen-bonded Turntrans-66.9137.1-178.7-20.132.6000112.3R68 R80 K87 A91R68-P89 HydrophobicContact CB-CG 4.29Å; R68-P89 WeakPolarHBondContact O-CD 3.4Å; R80-P89 PolarHBondContact NE-O 3.05Å; K87-P89 WeakPolarHBondContact O-CD 3.32Å; P89-A91 VanDerWaalsContact C-N 3.31Å; P89-A91 PolarHBondContact O-N 3.43Å
90R96.1Very high98.3Very high211 Ų21162.6 Ų62.680%0.79635%0.35SS*.THydrogen-bonded Turntrans53.843.2176.7-58.5-179.7-68.8-169.4-1.8113.1
91A97.3Very high98.3Very high37 Ų3760.5 Ų60.531%0.30634%0.343SS..  trans-76.8148.417700000112.5S79 R80 T88 P89S79-A91 WeakPolarHBondContact O-CB 3.33Å; R80-A91 VanDerWaalsContact O-CA 3.3Å; R80-A91 WeakPolarHBondContact O-CA 2.98Å; T88-A91 HydrophobicContact CG2-CB 4.22Å; P89-A91 VanDerWaalsContact C-N 3.31Å; P89-A91 PolarHBondContact O-N 3.43Å
92H96.6Very high98.3Very high141 Ų14155 Ų5565%0.65332%0.322SS*.  trans-96.5-30.6-178.1-64.7-82.8000114.7R80 A94R80-H92 PolarHBondContact O-N 3.45Å; H92-A94 PolarHBondContact O-N 2.92Å
93N98.4Very high98.2Very high49 Ų4955.7 Ų55.726%0.26233%0.328SS..  trans5350.2-176.1-170.718.8000114.2Y81 W82 C83 N84 C95 G96 I97Y81-N93 PolarHBondContact O-N 3.18Å; W82-N93 CarbonylContact O-C 3.58Å; W82-N93 PolarHBondContact O-OD1 2.92Å; C83-N93 WeakPolarHBondContact CA-OD1 3.46Å; N84-N93 HydrophobicContact CB-CB 4.25Å; N93-C95 PolarHBondContact O-N 3.19Å; N93-C95 VanDerWaalsContact O-N 3.13Å; N93-G96 PolarHBondContact O-N 3.25Å; N93-G96 WeakPolarHBondContact OD1-CA 3.21Å; N93-G96 PolarHBondContact OD1-N 3.06Å; N93-I97 PolarHBondContact OD1-N 2.8Å; N93-I97 PolarHBondContact OD1-O 2.03Å; N93-I97 VanDerWaalsContact OD1-O 3.08Å
94A98.6Very high98.2Very high41 Ų4160.8 Ų60.834%0.33935%0.35SS..THydrogen-bonded Turntrans-63.5-18-175.900000115Y81 W82 H92Y81-A94 WeakPolarHBondContact O-CB 3.43Å; Y81-A94 PolarHBondContact O-N 3.43Å; W82-A94 HydrophobicContact CE3-CB 3.84Å; W82-A94 HydrophobicContact CZ3-CB 4.05Å; W82-A94 PolarHBondContact O-N 3.17Å; H92-A94 PolarHBondContact O-N 2.92Å
95C98.6Very high98.1Very high29 Ų2960.1 Ų60.120%0.19635%0.346CS..THydrogen-bonded Turntrans-88.6-10.6171.9-640000113.2W82 N93 I97 C113W82-C95 WeakPolarHBondContact O-CB 3.03Å; W82-C95 PolarHBondContact O-N 3.2Å; N93-C95 PolarHBondContact O-N 3.19Å; N93-C95 VanDerWaalsContact O-N 3.13Å; C95-I97 HydrophobicContact CB-CD1 4.16Å; C95-I97 HydrophobicContact CB-CG1 3.88Å; C95-C113 HydrophobicContact CB-CB 3.8Å; C95-C113 WeakPolarHBondContact CB-SG 3.37Å; C95-C113 WeakPolarHBondContact SG-CA 3.38Å; C95-C113 WeakPolarHBondContact SG-CB 3.46Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.41Å
96G98.6Very high98.1Very high59 Ų5963.4 Ų63.461%0.60836%0.364SS*.  trans67.432.2178.200000114.1N93N93-G96 PolarHBondContact O-N 3.25Å; N93-G96 WeakPolarHBondContact OD1-CA 3.21Å; N93-G96 PolarHBondContact OD1-N 3.06Å
97I98.7Very high98.1Very high27 Ų2760.1 Ų60.114%0.13833%0.329CS..SBendtrans-133.5152.7-174.559.4173.2000112.4C83 N84 N93 C95 A101 L102 C113C83-I97 WeakPolarHBondContact CA-O 3.39Å; C83-I97 HydrophobicContact CB-CG1 4.17Å; N84-I97 PolarHBondContact N-O 3.2Å; N93-I97 PolarHBondContact OD1-N 2.8Å; N93-I97 PolarHBondContact OD1-O 2.03Å; N93-I97 VanDerWaalsContact OD1-O 3.08Å; C95-I97 HydrophobicContact CB-CD1 4.16Å; C95-I97 HydrophobicContact CB-CG1 3.88Å; I97-A101 HydrophobicContact CB-CB 4.49Å; I97-A101 HydrophobicContact CD1-CB 4.45Å; I97-L102 HydrophobicContact CD1-CD2 3.67Å; I97-L102 HydrophobicContact CD1-CG 4.08Å; I97-C113 HydrophobicContact CD1-CB 4.11Å
98P98.8Very high98.2Very high71 Ų7156.2 Ų56.246%0.46132%0.317SS..BIsolated β-bridgetrans-67.8143.8165.830.7-34.5000110.1N84 S100 A101N84-P98 CarbonylContact O-C 3.57Å; N84-P98 VanDerWaalsContact O-CA 3.32Å; N84-P98 WeakPolarHBondContact O-CA 3.39Å; P98-S100 PolarHBondContact O-N 2.83Å; P98-S100 VanDerWaalsContact O-N 3.16Å; P98-A101 HydrophobicContact CG-CB 4.27Å; P98-A101 VanDerWaalsContact O-CB 3.3Å; P98-A101 WeakPolarHBondContact O-CB 3.24Å; P98-A101 PolarHBondContact O-N 3.05Å
99C98.8Very high98.2Very high1 Ų157.1 Ų57.11%0.00732%0.321CS..G310 helixtrans-63-22.5179.1-63.10000112.9Y72 C83 N84 D85 A101 L102Y72-C99 HydrophobicContact CD1-CB 3.85Å; Y72-C99 HydrophobicContact CD2-CB 3.64Å; Y72-C99 HydrophobicContact CE1-CB 3.85Å; Y72-C99 HydrophobicContact CE2-CB 3.6Å; Y72-C99 HydrophobicContact CG-CB 3.77Å; C83-C99 HydrophobicContact CB-CB 3.95Å; C83-C99 WeakPolarHBondContact CB-SG 3.32Å; C83-C99 VanDerWaalsContact SG-CA 3.51Å; C83-C99 WeakPolarHBondContact SG-CB 3.36Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 3.32Å; N84-C99 PolarHBondContact O-N 3.23Å; D85-C99 HydrophobicContact CB-CB 4.06Å; C99-A101 PolarHBondContact O-N 3.23Å; C99-L102 VanDerWaalsContact O-CB 3.32Å; C99-L102 WeakPolarHBondContact O-CB 3.28Å; C99-L102 PolarHBondContact O-N 3.22Å
100S98.5Very high98.3Very high80 Ų8055.5 Ų55.556%0.55931%0.311SS*.G310 helixtrans-62.3-24.9172.356.90000113.5P98 L102 L103P98-S100 PolarHBondContact O-N 2.83Å; P98-S100 VanDerWaalsContact O-N 3.16Å; S100-L102 PolarHBondContact O-N 3.45Å; S100-L103 PolarHBondContact O-N 3.04Å
101A98.6Very high98.4Very high7 Ų745.7 Ų45.76%0.05827%0.274CS..G310 helixtrans-66.1-23.1174.400000112.6I97 P98 C99 L103 D109I97-A101 HydrophobicContact CB-CB 4.49Å; I97-A101 HydrophobicContact CD1-CB 4.45Å; P98-A101 HydrophobicContact CG-CB 4.27Å; P98-A101 VanDerWaalsContact O-CB 3.3Å; P98-A101 WeakPolarHBondContact O-CB 3.24Å; P98-A101 PolarHBondContact O-N 3.05Å; C99-A101 PolarHBondContact O-N 3.23Å; A101-L103 VanDerWaalsContact C-N 3.29Å; A101-D109 HydrophobicContact CB-CB 4.2Å
102L98.8Very high98.5Very high3 Ų350.7 Ų50.72%0.01629%0.285CS..G310 helixtrans-80.8-10.5177.8-57.3172.8000113G73 I77 C83 I97 C99 S100 A110 C113G73-L102 WeakPolarHBondContact CA-O 3.41Å; I77-L102 HydrophobicContact CB-CD1 3.88Å; I77-L102 HydrophobicContact CD1-CD2 4.09Å; I77-L102 HydrophobicContact CG2-CD1 3.81Å; C83-L102 HydrophobicContact CB-CD1 3.9Å; C83-L102 VanDerWaalsContact SG-CD1 3.56Å; I97-L102 HydrophobicContact CD1-CD2 3.67Å; I97-L102 HydrophobicContact CD1-CG 4.08Å; C99-L102 VanDerWaalsContact O-CB 3.32Å; C99-L102 WeakPolarHBondContact O-CB 3.28Å; C99-L102 PolarHBondContact O-N 3.22Å; S100-L102 PolarHBondContact O-N 3.45Å; L102-A110 HydrophobicContact CD2-CB 4.1Å; L102-C113 HydrophobicContact CD2-CB 4.15Å
103L98.6Very high98.6Very high46 Ų4644.1 Ų44.124%0.24126%0.255CS..G310 helixtrans-99.95.9-177.4-59.1177.7000113.7T58 T61 Y72 S100 A101T58-L103 WeakPolarHBondContact O-CA 3.47Å; T61-L103 HydrophobicContact CG2-CD1 4.29Å; T61-L103 HydrophobicContact CG2-CD2 3.85Å; Y72-L103 HydrophobicContact CD1-CD1 4Å; Y72-L103 HydrophobicContact CD1-CD2 4.07Å; Y72-L103 HydrophobicContact CD1-CG 4.1Å; Y72-L103 HydrophobicContact CE1-CD1 4.4Å; S100-L103 PolarHBondContact O-N 3.04Å; A101-L103 VanDerWaalsContact C-N 3.29Å
104K97.9Very high98.6Very high106 Ų10641.8 Ų41.846%0.46124%0.242SC..SBendtrans-77.7149.3178.8-64.6177.1-176.9166.90111D106 D109K104-D106 VanDerWaalsContact C-N 3.26Å; K104-D106 PolarHBondContact O-N 2.92Å; K104-D109 IonicContact NZ-OD2 2.66Å; K104-D109 PolarHBondContact NZ-OD2 2.88Å
105D97.8Very high98.6Very high68 Ų6842.1 Ų42.136%0.36424%0.236SC..SBendtrans-63.2-34.3172.4-62.8-16.8000112.2K19 I107K19-D105 HydrophobicContact CB-CB 3.8Å; K19-D105 VanDerWaalsContact CB-CG 3.48Å; K19-D105 WeakPolarHBondContact CB-OD1 3.24Å; K19-D105 HydrophobicContact CD-CB 4.1Å; K19-D105 PolarHBondContact N-OD1 3.32Å; D105-I107 PolarHBondContact O-N 3.38Å
106D97.9Very high98.6Very high105 Ų10544.3 Ų44.356%0.56124%0.24SC*.SBendtrans-77106165.6-177.8-7.6000109.8K104 T108K104-D106 VanDerWaalsContact C-N 3.26Å; K104-D106 PolarHBondContact O-N 2.92Å; D106-T108 PolarHBondContact O-N 3.17Å; D106-T108 VanDerWaalsContact OD1-CB 3.24Å; D106-T108 WeakPolarHBondContact OD1-CB 3.35Å; D106-T108 PolarHBondContact OD1-N 3.3Å; D106-T108 PolarHBondContact OD1-OG1 3.42Å
107I98.7Very high98.6Very high3 Ų341.5 Ų41.52%0.01521%0.212CC..THydrogen-bonded Turntrans-80.912-176.263.3172.3000114.2F21 L26 T29 L30 L33 T58 I74 D105 D109 A110 V111F21-I107 HydrophobicContact CE2-CD1 4.43Å; F21-I107 HydrophobicContact CE2-CG2 3.79Å; F21-I107 HydrophobicContact CZ-CD1 4.22Å; F21-I107 HydrophobicContact CZ-CG1 4.37Å; F21-I107 HydrophobicContact CZ-CG2 4.23Å; L26-I107 HydrophobicContact CD1-CD1 3.63Å; T29-I107 HydrophobicContact CG2-CD1 3.84Å; T29-I107 HydrophobicContact CG2-CG1 4.06Å; L30-I107 HydrophobicContact CD2-CD1 3.55Å; L33-I107 HydrophobicContact CD1-CD1 4.44Å; L33-I107 HydrophobicContact CD1-CG1 3.98Å; T58-I107 HydrophobicContact CG2-CG2 3.62Å; I74-I107 HydrophobicContact CD1-CD1 4.5Å; I74-I107 HydrophobicContact CD1-CG2 4.3Å; I74-I107 HydrophobicContact CG2-CG2 4.14Å; D105-I107 PolarHBondContact O-N 3.38Å; I107-D109 VanDerWaalsContact C-N 3.34Å; I107-D109 PolarHBondContact O-N 3.49Å; I107-A110 HydrophobicContact CB-CB 4.36Å; I107-A110 PolarHBondContact O-N 2.9Å; I107-A110 VanDerWaalsContact O-N 3.17Å; I107-V111 HydrophobicContact CD1-CG2 4.25Å; I107-V111 HydrophobicContact CG1-CG2 4.28Å; I107-V111 WeakPolarHBondContact O-CG2 3.47Å; I107-V111 PolarHBondContact O-N 3.09Å
108T98.8Very high98.6Very high49 Ų4940.4 Ų40.430%0.30121%0.206SC..Hα-helixtrans-56.5-45.2-179-64.40000112.6D106 V111 R112D106-T108 PolarHBondContact O-N 3.17Å; D106-T108 VanDerWaalsContact OD1-CB 3.24Å; D106-T108 WeakPolarHBondContact OD1-CB 3.35Å; D106-T108 PolarHBondContact OD1-N 3.3Å; D106-T108 PolarHBondContact OD1-OG1 3.42Å; T108-V111 PolarHBondContact O-N 2.74Å; T108-R112 WeakPolarHBondContact O-CB 3.25Å; T108-R112 PolarHBondContact O-N 3.36Å
109D98.8Very high98.6Very high31 Ų3144.4 Ų44.417%0.16621%0.212CC..Hα-helixtrans-67.2-39.7177.7-71.8-34.6000111.5A101 K104 I107 R112 C113A101-D109 HydrophobicContact CB-CB 4.2Å; K104-D109 IonicContact NZ-OD2 2.66Å; K104-D109 PolarHBondContact NZ-OD2 2.88Å; I107-D109 VanDerWaalsContact C-N 3.34Å; I107-D109 PolarHBondContact O-N 3.49Å; D109-R112 PolarHBondContact O-N 3.25Å; D109-R112 IonicContact OD1-CZ 3.68Å; D109-R112 IonicContact OD1-NH1 2.73Å; D109-R112 PolarHBondContact OD1-NH1 3.15Å; D109-R112 IonicContact OD1-NH2 3.92Å; D109-C113 WeakPolarHBondContact O-CB 3.22Å; D109-C113 PolarHBondContact O-N 3.21Å
110A98.9Very high98.6Very high2 Ų247.4 Ų47.42%0.01723%0.228CC..Hα-helixtrans-63.2-43.6176.100000112.2I74 F75 L102 I107 C113 A114I74-A110 HydrophobicContact CG2-CB 4.22Å; F75-A110 HydrophobicContact CD2-CB 4.13Å; F75-A110 HydrophobicContact CE2-CB 4.26Å; L102-A110 HydrophobicContact CD2-CB 4.1Å; I107-A110 HydrophobicContact CB-CB 4.36Å; I107-A110 PolarHBondContact O-N 2.9Å; I107-A110 VanDerWaalsContact O-N 3.17Å; A110-C113 PolarHBondContact O-N 3.08Å; A110-A114 WeakPolarHBondContact O-CB 3.08Å; A110-A114 PolarHBondContact O-N 3.33Å
111V98.9Very high98.6Very high5 Ų550.4 Ų50.43%0.0325%0.245CC..Hα-helixtrans-64.9-42.5175.61700000111.2L30 L33 L35 F75 I107 T108 C113 A114 K115L30-V111 HydrophobicContact CD2-CG2 3.89Å; L33-V111 HydrophobicContact CB-CB 4.5Å; L33-V111 HydrophobicContact CB-CG1 3.94Å; L33-V111 HydrophobicContact CB-CG2 4.42Å; L33-V111 HydrophobicContact CD1-CB 4.19Å; L33-V111 HydrophobicContact CD1-CG2 3.71Å; L35-V111 HydrophobicContact CD1-CG1 3.96Å; L35-V111 HydrophobicContact CD1-CG2 4.07Å; L35-V111 HydrophobicContact CD2-CG1 3.99Å; L35-V111 HydrophobicContact CG-CG1 3.72Å; F75-V111 HydrophobicContact CE2-CG2 3.92Å; F75-V111 HydrophobicContact CZ-CG2 4.18Å; I107-V111 HydrophobicContact CD1-CG2 4.25Å; I107-V111 HydrophobicContact CG1-CG2 4.28Å; I107-V111 WeakPolarHBondContact O-CG2 3.47Å; I107-V111 PolarHBondContact O-N 3.09Å; T108-V111 PolarHBondContact O-N 2.74Å; V111-C113 VanDerWaalsContact C-N 3.3Å; V111-C113 PolarHBondContact O-N 3.09Å; V111-A114 PolarHBondContact O-N 3.36Å; V111-K115 HydrophobicContact CG1-CD 4.38Å; V111-K115 WeakPolarHBondContact O-CB 3.49Å; V111-K115 WeakPolarHBondContact O-CG 3.36Å; V111-K115 PolarHBondContact O-N 3.33Å
112R98.9Very high98.5Very high141 Ų14156 Ų5653%0.53227%0.27SS..Hα-helixtrans-59.9-42.9176-169.6-173.8-59.5121.84.5111.2T108 D109 K115 R116T108-R112 WeakPolarHBondContact O-CB 3.25Å; T108-R112 PolarHBondContact O-N 3.36Å; D109-R112 PolarHBondContact O-N 3.25Å; D109-R112 IonicContact OD1-CZ 3.68Å; D109-R112 IonicContact OD1-NH1 2.73Å; D109-R112 PolarHBondContact OD1-NH1 3.15Å; D109-R112 IonicContact OD1-NH2 3.92Å; R112-K115 WeakPolarHBondContact O-CB 3.47Å; R112-K115 PolarHBondContact O-N 3.33Å; R112-R116 PolarHBondContact O-N 2.91Å; R112-R116 VanDerWaalsContact O-N 3.12Å
113C98.9Very high98.5Very high3 Ų356.7 Ų56.72%0.0228%0.279CS..Hα-helixtrans-70.8-41.4178.7-171.90000112.1I77 C95 I97 L102 D109 A110 V111 K115 R116 V117I77-C113 HydrophobicContact CD1-CB 3.99Å; C95-C113 HydrophobicContact CB-CB 3.8Å; C95-C113 WeakPolarHBondContact CB-SG 3.37Å; C95-C113 WeakPolarHBondContact SG-CA 3.38Å; C95-C113 WeakPolarHBondContact SG-CB 3.46Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.41Å; I97-C113 HydrophobicContact CD1-CB 4.11Å; L102-C113 HydrophobicContact CD2-CB 4.15Å; D109-C113 WeakPolarHBondContact O-CB 3.22Å; D109-C113 PolarHBondContact O-N 3.21Å; A110-C113 PolarHBondContact O-N 3.08Å; V111-C113 VanDerWaalsContact C-N 3.3Å; V111-C113 PolarHBondContact O-N 3.09Å; C113-K115 VanDerWaalsContact C-N 3.29Å; C113-K115 PolarHBondContact O-N 3.33Å; C113-R116 CarbonylContact O-C 3.53Å; C113-R116 WeakPolarHBondContact O-CA 3.12Å; C113-R116 VanDerWaalsContact O-CB 3.3Å; C113-R116 WeakPolarHBondContact O-CB 3.4Å; C113-R116 PolarHBondContact O-N 2.9Å; C113-V117 WeakPolarHBondContact O-CG2 3.25Å; C113-V117 PolarHBondContact O-N 3.34Å
114A98.9Very high98.5Very high0 Ų055.2 Ų55.20%027%0.271CS..Hα-helixtrans-59.3-39.4172.800000112.4W46 F75 I77 A110 V111 R116 V117 V118 W127W46-A114 HydrophobicContact CH2-CB 4.24Å; W46-A114 HydrophobicContact CZ3-CB 3.99Å; F75-A114 HydrophobicContact CD2-CB 3.81Å; F75-A114 HydrophobicContact CE2-CB 4.05Å; F75-A114 HydrophobicContact CG-CB 4.37Å; I77-A114 HydrophobicContact CD1-CB 4.45Å; A110-A114 WeakPolarHBondContact O-CB 3.08Å; A110-A114 PolarHBondContact O-N 3.33Å; V111-A114 PolarHBondContact O-N 3.36Å; A114-R116 VanDerWaalsContact C-N 3.27Å; A114-R116 PolarHBondContact O-N 3.23Å; A114-V117 WeakPolarHBondContact O-CB 3.44Å; A114-V117 PolarHBondContact O-N 2.96Å; A114-V118 PolarHBondContact O-N 2.04Å; A114-V118 VanDerWaalsContact O-N 3.11Å; A114-W127 HydrophobicContact CB-CH2 4.37Å; A114-W127 HydrophobicContact CB-CZ2 4.34Å
115K98.9Very high98.5Very high48 Ų4856.7 Ų56.721%0.20927%0.273CS..Hα-helixtrans-60.6-34.3171.3-78.3-176.7169.31790112.8L33 G34 L35 Y38 V111 R112 C113 R119L33-K115 PolarHBondContact O-NZ 3.12Å; G34-K115 WeakPolarHBondContact O-CE 3.43Å; G34-K115 PolarHBondContact O-NZ 3.43Å; L35-K115 HydrophobicContact CD2-CD 4.31Å; L35-K115 HydrophobicContact CD2-CG 3.65Å; Y38-K115 HydrophobicContact CD1-CB 4.36Å; Y38-K115 HydrophobicContact CD1-CG 3.83Å; Y38-K115 HydrophobicContact CD2-CD 4.18Å; Y38-K115 HydrophobicContact CD2-CG 4.29Å; Y38-K115 HydrophobicContact CE1-CB 3.63Å; Y38-K115 HydrophobicContact CE1-CD 4.36Å; Y38-K115 HydrophobicContact CE1-CG 3.58Å; Y38-K115 WeakPolarHBondContact CE1-O 3.49Å; Y38-K115 HydrophobicContact CE2-CB 4.43Å; Y38-K115 HydrophobicContact CE2-CD 3.94Å; Y38-K115 HydrophobicContact CE2-CG 4.07Å; Y38-K115 HydrophobicContact CG-CD 4.49Å; Y38-K115 HydrophobicContact CG-CG 4.17Å; Y38-K115 PolarHBondContact OH-O 3.32Å; V111-K115 HydrophobicContact CG1-CD 4.38Å; V111-K115 WeakPolarHBondContact O-CB 3.49Å; V111-K115 WeakPolarHBondContact O-CG 3.36Å; V111-K115 PolarHBondContact O-N 3.33Å; R112-K115 WeakPolarHBondContact O-CB 3.47Å; R112-K115 PolarHBondContact O-N 3.33Å; C113-K115 VanDerWaalsContact C-N 3.29Å; C113-K115 PolarHBondContact O-N 3.33Å; K115-R119 WeakPolarHBondContact O-CG 3.28Å
116R98.8Very high98.5Very high75 Ų7555 Ų5528%0.28327%0.269SS..Hα-helixtrans-69.9-43173.117162.9-169.387.1-2.1111W82 R112 C113 A114 R119 D120W82-R116 HydrophobicContact CZ3-CG 4.41Å; R112-R116 PolarHBondContact O-N 2.91Å; R112-R116 VanDerWaalsContact O-N 3.12Å; C113-R116 CarbonylContact O-C 3.53Å; C113-R116 WeakPolarHBondContact O-CA 3.12Å; C113-R116 VanDerWaalsContact O-CB 3.3Å; C113-R116 WeakPolarHBondContact O-CB 3.4Å; C113-R116 PolarHBondContact O-N 2.9Å; A114-R116 VanDerWaalsContact C-N 3.27Å; A114-R116 PolarHBondContact O-N 3.23Å; R116-R119 WeakPolarHBondContact O-CB 3.2Å; R116-R119 PolarHBondContact O-N 3.21Å; R116-D120 IonicContact CZ-OD1 3.37Å; R116-D120 IonicContact NH1-OD1 3.93Å; R116-D120 PolarHBondContact NH1-OD1 3.22Å; R116-D120 IonicContact NH1-OD2 3.98Å; R116-D120 IonicContact NH2-OD1 2.68Å; R116-D120 PolarHBondContact NH2-OD1 2.79Å
117V98.8Very high98.6Very high1 Ų150.7 Ų50.71%0.00625%0.245CC..Hα-helixtrans-58.6-52.3180176.30000111.2W82 C113 A114 R119 D120 A126 W127W82-V117 HydrophobicContact CD2-CG2 3.54Å; W82-V117 HydrophobicContact CE3-CG2 3.71Å; W82-V117 HydrophobicContact CG-CG2 4.06Å; W82-V117 HydrophobicContact CH2-CB 4.15Å; W82-V117 HydrophobicContact CH2-CG1 4.08Å; W82-V117 HydrophobicContact CH2-CG2 4.12Å; W82-V117 HydrophobicContact CZ2-CB 4.14Å; W82-V117 HydrophobicContact CZ2-CG1 3.7Å; W82-V117 HydrophobicContact CZ2-CG2 3.94Å; W82-V117 HydrophobicContact CZ3-CB 4.34Å; W82-V117 HydrophobicContact CZ3-CG2 4Å; C113-V117 WeakPolarHBondContact O-CG2 3.25Å; C113-V117 PolarHBondContact O-N 3.34Å; A114-V117 WeakPolarHBondContact O-CB 3.44Å; A114-V117 PolarHBondContact O-N 2.96Å; V117-R119 PolarHBondContact O-N 2.93Å; V117-D120 WeakPolarHBondContact O-CB 3.38Å; V117-D120 PolarHBondContact O-N 3.37Å; V117-A126 HydrophobicContact CG1-CB 3.85Å; V117-W127 HydrophobicContact CB-CH2 3.46Å; V117-W127 VanDerWaalsContact CB-CH2 3.46Å; V117-W127 HydrophobicContact CB-CZ2 4.08Å; V117-W127 HydrophobicContact CB-CZ3 4.06Å; V117-W127 HydrophobicContact CG1-CE3 4.2Å; V117-W127 HydrophobicContact CG1-CH2 3.25Å; V117-W127 HydrophobicContact CG1-CZ2 3.86Å; V117-W127 HydrophobicContact CG1-CZ3 3.4Å; V117-W127 VanDerWaalsContact CG1-CZ3 3.4Å; V117-W127 HydrophobicContact CG2-CH2 4.1Å; V117-W127 HydrophobicContact CG2-CZ2 4.22Å
118V98.7Very high98.5Very high4 Ų454.8 Ų54.82%0.02427%0.27CS..THydrogen-bonded Turntrans-70.4-2.8-177.8-60.80000114.7Y38 R39 W46 A114 D120 I124 W127Y38-V118 HydrophobicContact CD1-CG2 3.69Å; Y38-V118 HydrophobicContact CE1-CG2 3.48Å; Y38-V118 VanDerWaalsContact CE1-CG2 3.48Å; R39-V118 HydrophobicContact CB-CG2 4.5Å; R39-V118 HydrophobicContact CG-CG2 4.35Å; W46-V118 HydrophobicContact CH2-CB 4.43Å; W46-V118 HydrophobicContact CH2-CG1 3.43Å; W46-V118 VanDerWaalsContact CH2-CG1 3.43Å; W46-V118 HydrophobicContact CH2-CG2 4.15Å; W46-V118 HydrophobicContact CZ2-CG1 3.96Å; W46-V118 HydrophobicContact CZ2-CG2 4.18Å; W46-V118 HydrophobicContact CZ3-CG1 4.38Å; A114-V118 PolarHBondContact O-N 2.04Å; A114-V118 VanDerWaalsContact O-N 3.11Å; V118-D120 VanDerWaalsContact C-N 3.32Å; V118-I124 HydrophobicContact CG1-CB 4.31Å; V118-W127 HydrophobicContact CG1-CH2 3.92Å; V118-W127 HydrophobicContact CG1-CZ3 3.52Å
119R98.4Very high98.5Very high155 Ų15553 Ų5359%0.58526%0.26SS*.THydrogen-bonded Turntrans-76.6-22.6169.2-73.9169.961.1-179.3-0.1112.1K115 R116 V117K115-R119 WeakPolarHBondContact O-CG 3.28Å; R116-R119 WeakPolarHBondContact O-CB 3.2Å; R116-R119 PolarHBondContact O-N 3.21Å; V117-R119 PolarHBondContact O-N 2.93Å
120D98.2Very high98.5Very high64 Ų6452.4 Ų52.434%0.34226%0.256SS..SBendtrans-71.8159.3175-79.311.8000111W82 R116 V117 V118 Q122 G123W82-D120 WeakPolarHBondContact CH2-OD2 3.3Å; R116-D120 IonicContact CZ-OD1 3.37Å; R116-D120 IonicContact NH1-OD1 3.93Å; R116-D120 PolarHBondContact NH1-OD1 3.22Å; R116-D120 IonicContact NH1-OD2 3.98Å; R116-D120 IonicContact NH2-OD1 2.68Å; R116-D120 PolarHBondContact NH2-OD1 2.79Å; V117-D120 WeakPolarHBondContact O-CB 3.38Å; V117-D120 PolarHBondContact O-N 3.37Å; V118-D120 VanDerWaalsContact C-N 3.32Å; D120-Q122 PolarHBondContact O-N 2.99Å; D120-G123 PolarHBondContact O-N 2.96Å
121P98Very high98.4Very high142 Ų14257.7 Ų57.792%0.92228%0.275SS*.THydrogen-bonded Turntrans-56.2-27.3-170.3-29.336.7000115.7G123P121-G123 VanDerWaalsContact C-N 3.26Å; P121-G123 PolarHBondContact O-N 2.95Å
122Q97.6Very high98.4Very high124 Ų12461.1 Ų61.158%0.57930%0.3SS*.THydrogen-bonded Turntrans-70.5-22.2177.2-66.9-172-3600112.8D120 I124 R125 A126D120-Q122 PolarHBondContact O-N 2.99Å; Q122-I124 PolarHBondContact O-N 3.36Å; Q122-R125 VanDerWaalsContact O-CB 3.24Å; Q122-R125 WeakPolarHBondContact O-CB 3.01Å; Q122-R125 PolarHBondContact O-N 3.33Å; Q122-R125 VanDerWaalsContact O-N 3.08Å; Q122-A126 HydrophobicContact CB-CB 4.32Å
123G98.3Very high98.4Very high19 Ų1958.3 Ų58.320%0.19629%0.292CS..G310 helixtrans56.9-137.1-173.700000111.2D120 P121 R125 A126D120-G123 PolarHBondContact O-N 2.96Å; P121-G123 VanDerWaalsContact C-N 3.26Å; P121-G123 PolarHBondContact O-N 2.95Å; G123-R125 PolarHBondContact O-N 3.43Å; G123-A126 PolarHBondContact O-N 3.36Å
124I98.5Very high98.4Very high15 Ų1558.2 Ų58.28%0.07729%0.292CS..G310 helixtrans-67.8-13177-166.6159.4000113.7V41 N45 W46 V118 Q122 A126 W127 W130V41-I124 HydrophobicContact CG1-CB 4.44Å; V41-I124 HydrophobicContact CG1-CD1 3.43Å; V41-I124 VanDerWaalsContact CG1-CD1 3.43Å; V41-I124 HydrophobicContact CG2-CB 4.08Å; V41-I124 HydrophobicContact CG2-CG2 4.2Å; N45-I124 HydrophobicContact CB-CD1 4.04Å; W46-I124 HydrophobicContact CE3-CD1 4.5Å; V118-I124 HydrophobicContact CG1-CB 4.31Å; Q122-I124 PolarHBondContact O-N 3.36Å; I124-A126 PolarHBondContact O-N 3.15Å; I124-A126 VanDerWaalsContact O-N 3.15Å; I124-W127 HydrophobicContact CG1-CE3 4.28Å; I124-W127 PolarHBondContact O-N 2.95Å; I124-W130 HydrophobicContact CB-CD2 4.45Å; I124-W130 VanDerWaalsContact CD1-CD1 3.49Å; I124-W130 HydrophobicContact CD1-CD2 4.32Å; I124-W130 HydrophobicContact CD1-CG 4.01Å; I124-W130 HydrophobicContact CG1-CB 4.38Å; I124-W130 HydrophobicContact CG1-CD2 3.87Å; I124-W130 HydrophobicContact CG1-CG 3.73Å; I124-W130 HydrophobicContact CG2-CD2 3.91Å; I124-W130 HydrophobicContact CG2-CE3 4.11Å; I124-W130 HydrophobicContact CG2-CH2 3.81Å; I124-W130 HydrophobicContact CG2-CZ2 3.56Å; I124-W130 HydrophobicContact CG2-CZ3 4.1Å
125R98.4Very high98.4Very high136 Ų13660.6 Ų60.651%0.51330%0.303SS..G310 helixtrans-70.5-7.1176.2-60.9-179.6173.998.7-1.6113.4Q122 G123 W127 W130 R131Q122-R125 VanDerWaalsContact O-CB 3.24Å; Q122-R125 WeakPolarHBondContact O-CB 3.01Å; Q122-R125 PolarHBondContact O-N 3.33Å; Q122-R125 VanDerWaalsContact O-N 3.08Å; G123-R125 PolarHBondContact O-N 3.43Å; R125-W127 PolarHBondContact O-N 2.9Å; R125-W130 HydrophobicContact CG-CE3 4.26Å; R125-W130 HydrophobicContact CG-CH2 4.38Å; R125-W130 HydrophobicContact CG-CZ3 3.63Å; R125-R131 HydrophobicContact CB-CG 4.3Å; R125-R131 WeakPolarHBondContact O-CD 3.46Å; R125-R131 PolarHBondContact O-NE 3.33Å
126A98.3Very high98.3Very high33 Ų3365.4 Ų65.427%0.27333%0.331SS..G310 helixtrans-59.6-28.1172.100000112.2V117 Q122 G123 I124V117-A126 HydrophobicContact CG1-CB 3.85Å; Q122-A126 HydrophobicContact CB-CB 4.32Å; G123-A126 PolarHBondContact O-N 3.36Å; I124-A126 PolarHBondContact O-N 3.15Å; I124-A126 VanDerWaalsContact O-N 3.15Å
127W98.6Very high98.3Very high15 Ų1567.6 Ų67.66%0.05734%0.344CS..  trans-88.3126177.8-71.6-93.7000111.8W46 L49 F75 A114 V117 V118 I124 R125 W130 R131W46-W127 HydrophobicContact CH2-CH2 4.42Å; W46-W127 HydrophobicContact CZ3-CH2 4.22Å; L49-W127 HydrophobicContact CD1-CB 3.38Å; L49-W127 HydrophobicContact CD1-CD2 4.07Å; L49-W127 HydrophobicContact CD1-CG 3.37Å; L49-W127 HydrophobicContact CD2-CD2 3.9Å; L49-W127 HydrophobicContact CD2-CE3 4.37Å; L49-W127 HydrophobicContact CD2-CG 4.1Å; L49-W127 HydrophobicContact CD2-CZ2 4.32Å; L49-W127 HydrophobicContact CG-CG 4.36Å; F75-W127 PolarHBondContact O-NE1 3.07Å; A114-W127 HydrophobicContact CB-CH2 4.37Å; A114-W127 HydrophobicContact CB-CZ2 4.34Å; V117-W127 HydrophobicContact CB-CH2 3.46Å; V117-W127 VanDerWaalsContact CB-CH2 3.46Å; V117-W127 HydrophobicContact CB-CZ2 4.08Å; V117-W127 HydrophobicContact CB-CZ3 4.06Å; V117-W127 HydrophobicContact CG1-CE3 4.2Å; V117-W127 HydrophobicContact CG1-CH2 3.25Å; V117-W127 HydrophobicContact CG1-CZ2 3.86Å; V117-W127 HydrophobicContact CG1-CZ3 3.4Å; V117-W127 VanDerWaalsContact CG1-CZ3 3.4Å; V117-W127 HydrophobicContact CG2-CH2 4.1Å; V117-W127 HydrophobicContact CG2-CZ2 4.22Å; V118-W127 HydrophobicContact CG1-CH2 3.92Å; V118-W127 HydrophobicContact CG1-CZ3 3.52Å; I124-W127 HydrophobicContact CG1-CE3 4.28Å; I124-W127 PolarHBondContact O-N 2.95Å; R125-W127 PolarHBondContact O-N 2.9Å; W127-W130 HydrophobicContact CB-CB 4.03Å; W127-R131 PolarHBondContact O-N 3.11Å
128V97.7Very high98.3Very high89 Ų8971.7 Ų71.754%0.53937%0.366SS..Hα-helixtrans-65.5-45176.7177.50000110.1W130 R131 S132V128-W130 VanDerWaalsContact C-N 3.29Å; V128-W130 PolarHBondContact O-N 2.84Å; V128-R131 VanDerWaalsContact CG2-NH2 3.33Å; V128-R131 PolarHBondContact O-N 3.18Å; V128-R131 VanDerWaalsContact O-N 3.12Å; V128-S132 PolarHBondContact O-N 3.17Å; V128-S132 PolarHBondContact O-OG 3.3Å
129A97.3Very high98.3Very high12 Ų1272.2 Ų72.210%0.09937%0.369CS..Hα-helixtrans-63.2-37.2-177.400000111.9W52 E53 S132 H133W52-A129 HydrophobicContact CB-CB 3.95Å; E53-A129 HydrophobicContact CG-CB 3.92Å; E53-A129 WeakPolarHBondContact OE1-CB 3.28Å; E53-A129 PolarHBondContact OE1-N 3.35Å; A129-S132 PolarHBondContact O-N 3.39Å; A129-H133 WeakPolarHBondContact O-CB 3.23Å; A129-H133 PolarHBondContact O-CD2 3.47Å; A129-H133 PolarHBondContact O-N 2.82Å
130W98.7Very high98.2Very high17 Ų1773.3 Ų73.36%0.06437%0.373CS..Hα-helixtrans-62.4-44.2174.6-17888.8000112.3N45 L49 I124 R125 W127 V128 S132 C134 Q135N45-W130 WeakPolarHBondContact OD1-CZ2 3.05Å; N45-W130 PolarHBondContact OD1-NE1 3.07Å; L49-W130 HydrophobicContact CD1-CB 3.84Å; I124-W130 HydrophobicContact CB-CD2 4.45Å; I124-W130 VanDerWaalsContact CD1-CD1 3.49Å; I124-W130 HydrophobicContact CD1-CD2 4.32Å; I124-W130 HydrophobicContact CD1-CG 4.01Å; I124-W130 HydrophobicContact CG1-CB 4.38Å; I124-W130 HydrophobicContact CG1-CD2 3.87Å; I124-W130 HydrophobicContact CG1-CG 3.73Å; I124-W130 HydrophobicContact CG2-CD2 3.91Å; I124-W130 HydrophobicContact CG2-CE3 4.11Å; I124-W130 HydrophobicContact CG2-CH2 3.81Å; I124-W130 HydrophobicContact CG2-CZ2 3.56Å; I124-W130 HydrophobicContact CG2-CZ3 4.1Å; R125-W130 HydrophobicContact CG-CE3 4.26Å; R125-W130 HydrophobicContact CG-CH2 4.38Å; R125-W130 HydrophobicContact CG-CZ3 3.63Å; W127-W130 HydrophobicContact CB-CB 4.03Å; V128-W130 VanDerWaalsContact C-N 3.29Å; V128-W130 PolarHBondContact O-N 2.84Å; W130-S132 VanDerWaalsContact C-N 3.31Å; W130-S132 PolarHBondContact O-N 3Å; W130-C134 HydrophobicContact CB-CB 4.45Å; W130-C134 HydrophobicContact CD2-CB 4.39Å; W130-C134 HydrophobicContact CG-CB 3.87Å; W130-C134 CarbonylContact O-C 3.59Å; W130-C134 WeakPolarHBondContact O-CA 3.33Å; W130-C134 VanDerWaalsContact O-CB 3.25Å; W130-C134 WeakPolarHBondContact O-CB 3.2Å; W130-C134 PolarHBondContact O-N 3.02Å; W130-Q135 HydrophobicContact CE3-CB 4.1Å; W130-Q135 HydrophobicContact CH2-CB 3.87Å; W130-Q135 HydrophobicContact CH2-CG 3.75Å; W130-Q135 HydrophobicContact CZ2-CB 4.42Å; W130-Q135 HydrophobicContact CZ3-CB 3.66Å; W130-Q135 HydrophobicContact CZ3-CG 3.73Å; W130-Q135 PolarHBondContact O-N 2.82Å
131R98.6Very high98.2Very high113 Ų11374.1 Ų74.143%0.42638%0.38SS..Hα-helixtrans-61.9-40.4177.1-70.6-176.9-71.2173.9-2.7112R125 W127 V128R125-R131 HydrophobicContact CB-CG 4.3Å; R125-R131 WeakPolarHBondContact O-CD 3.46Å; R125-R131 PolarHBondContact O-NE 3.33Å; W127-R131 PolarHBondContact O-N 3.11Å; V128-R131 VanDerWaalsContact CG2-NH2 3.33Å; V128-R131 PolarHBondContact O-N 3.18Å; V128-R131 VanDerWaalsContact O-N 3.12Å
132S98.4Very high98.3Very high78 Ų7869 Ų6955%0.54534%0.342SS..Hα-helixtrans-78.6-33.8-175.9-59.10000114V128 A129 W130V128-S132 PolarHBondContact O-N 3.17Å; V128-S132 PolarHBondContact O-OG 3.3Å; A129-S132 PolarHBondContact O-N 3.39Å; W130-S132 VanDerWaalsContact C-N 3.31Å; W130-S132 PolarHBondContact O-N 3Å
133H98.4Very high98.3Very high81 Ų8164.6 Ų64.638%0.37532%0.324SS..Hα-helixtrans-120.4-15.9-168.5-59.7-72.6000115W52 A129W52-H133 HydrophobicContact CB-CB 4.25Å; W52-H133 VanDerWaalsContact CD1-CB 3.45Å; W52-H133 HydrophobicContact CD2-CB 3.58Å; W52-H133 AromaticContact CD2-CD2 3.84Å; W52-H133 AromaticContact CD2-CG 3.48Å; W52-H133 VanDerWaalsContact CD2-CG 3.48Å; W52-H133 AromaticContact CD2-ND1 3.86Å; W52-H133 AromaticContact CE2-CG 3.84Å; W52-H133 HydrophobicContact CE3-CB 4.31Å; W52-H133 AromaticContact CE3-CD2 3.8Å; W52-H133 AromaticContact CE3-CE1 3.82Å; W52-H133 AromaticContact CE3-CG 3.7Å; W52-H133 AromaticContact CE3-ND1 3.71Å; W52-H133 AromaticContact CE3-NE2 3.91Å; W52-H133 HydrophobicContact CG-CB 3.51Å; W52-H133 AromaticContact CG-CD2 3.93Å; W52-H133 AromaticContact CG-CG 3.75Å; W52-H133 AromaticContact CH2-ND1 3.96Å; W52-H133 HydrophobicContact CZ2-CB 4.33Å; W52-H133 AromaticContact CZ3-CE1 3.84Å; W52-H133 AromaticContact CZ3-ND1 3.76Å; A129-H133 WeakPolarHBondContact O-CB 3.23Å; A129-H133 PolarHBondContact O-CD2 3.47Å; A129-H133 PolarHBondContact O-N 2.82Å
134C98.7Very high98.3Very high1 Ų170 Ų701%0.00734%0.344CS..THydrogen-bonded Turntrans-118.4-36.2-173.1-52.70000112.9C48 W130 N136 Q137 L139C48-C134 HydrophobicContact CB-CB 3.84Å; C48-C134 WeakPolarHBondContact CB-SG 3.09Å; C48-C134 WeakPolarHBondContact SG-CA 3.37Å; C48-C134 WeakPolarHBondContact SG-CB 3.33Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 3.09Å; W130-C134 HydrophobicContact CB-CB 4.45Å; W130-C134 HydrophobicContact CD2-CB 4.39Å; W130-C134 HydrophobicContact CG-CB 3.87Å; W130-C134 CarbonylContact O-C 3.59Å; W130-C134 WeakPolarHBondContact O-CA 3.33Å; W130-C134 VanDerWaalsContact O-CB 3.25Å; W130-C134 WeakPolarHBondContact O-CB 3.2Å; W130-C134 PolarHBondContact O-N 3.02Å; C134-N136 PolarHBondContact O-N 3.15Å; C134-Q137 PolarHBondContact O-N 2.72Å; C134-L139 HydrophobicContact CB-CD1 4.26Å; C134-L139 HydrophobicContact CB-CD2 4.27Å
135Q98.4Very high98.3Very high50 Ų5073.1 Ų73.123%0.23438%0.38CS..THydrogen-bonded Turntrans-61.3130.5-177.9-171174-3.900110.7W130 Q137W130-Q135 HydrophobicContact CE3-CB 4.1Å; W130-Q135 HydrophobicContact CH2-CB 3.87Å; W130-Q135 HydrophobicContact CH2-CG 3.75Å; W130-Q135 HydrophobicContact CZ2-CB 4.42Å; W130-Q135 HydrophobicContact CZ3-CB 3.66Å; W130-Q135 HydrophobicContact CZ3-CG 3.73Å; W130-Q135 PolarHBondContact O-N 2.82Å; Q135-Q137 PolarHBondContact O-N 2.84Å
136N98.1Very high98.3Very high150 Ų15067 Ų6780%0.80236%0.359SS*.THydrogen-bonded Turntrans60.920.7-179.6-50.1-31.9000114.8C134C134-N136 PolarHBondContact O-N 3.15Å
137Q98.3Very high98.3Very high121 Ų12169.4 Ų69.457%0.56539%0.386SS*.SBendtrans-101.9159174.7-57.1-55.2-40.600111.4C134 Q135 L139C134-Q137 PolarHBondContact O-N 2.72Å; Q135-Q137 PolarHBondContact O-N 2.84Å; Q137-L139 HydrophobicContact CB-CD2 3.86Å; Q137-L139 PolarHBondContact O-N 2.72Å
138D98.3Very high98.2Very high87 Ų8771.9 Ų71.947%0.46540%0.403SS..  trans-75.8108.6165.9-176.6-0.6000109.9R140D138-R140 VanDerWaalsContact OD1-CB 3.31Å; D138-R140 WeakPolarHBondContact OD1-CB 3.35Å; D138-R140 WeakPolarHBondContact OD1-CG 3.4Å; D138-R140 IonicContact OD1-CZ 3Å; D138-R140 PolarHBondContact OD1-N 2.7Å; D138-R140 IonicContact OD1-NE 2.66Å; D138-R140 PolarHBondContact OD1-NE 3.23Å; D138-R140 IonicContact OD2-CZ 2.97Å; D138-R140 IonicContact OD2-NE 3.19Å; D138-R140 PolarHBondContact OD2-NE 3.03Å; D138-R140 IonicContact OD2-NH2 3.22Å; D138-R140 PolarHBondContact OD2-NH2 2.82Å
139L98.6Very high98.2Very high15 Ų1571 Ų718%0.07940%0.396CS..  trans-966.3-176.4-53.4-174.6000113.7A44 N45 C48 C134 Q137 T141 Y142A44-L139 HydrophobicContact CB-CB 3.76Å; A44-L139 WeakPolarHBondContact CB-O 3.2Å; N45-L139 HydrophobicContact CB-CD1 4.28Å; N45-L139 WeakPolarHBondContact OD1-CD1 3.29Å; C48-L139 HydrophobicContact CB-CD1 4.15Å; C48-L139 HydrophobicContact CB-CD2 3.97Å; C134-L139 HydrophobicContact CB-CD1 4.26Å; C134-L139 HydrophobicContact CB-CD2 4.27Å; Q137-L139 HydrophobicContact CB-CD2 3.86Å; Q137-L139 PolarHBondContact O-N 2.72Å; L139-T141 PolarHBondContact O-N 2.97Å; L139-Y142 HydrophobicContact CB-CD2 3.97Å; L139-Y142 HydrophobicContact CB-CE2 4.46Å; L139-Y142 HydrophobicContact CD2-CD2 4.03Å; L139-Y142 HydrophobicContact CD2-CE2 3.66Å; L139-Y142 WeakPolarHBondContact O-CD2 3.23Å; L139-Y142 PolarHBondContact O-N 2.79Å; L139-Y142 VanDerWaalsContact O-N 3.14Å
140R97.8Very high98.3Very high178 Ų17874.1 Ų74.167%0.67241%0.411SS*.Hα-helixtrans-57.4-37.1-176.1-72.5178.8-66.6173.1-0.7112.9D138 Y142 V143 Q144D138-R140 VanDerWaalsContact OD1-CB 3.31Å; D138-R140 WeakPolarHBondContact OD1-CB 3.35Å; D138-R140 WeakPolarHBondContact OD1-CG 3.4Å; D138-R140 IonicContact OD1-CZ 3Å; D138-R140 PolarHBondContact OD1-N 2.7Å; D138-R140 IonicContact OD1-NE 2.66Å; D138-R140 PolarHBondContact OD1-NE 3.23Å; D138-R140 IonicContact OD2-CZ 2.97Å; D138-R140 IonicContact OD2-NE 3.19Å; D138-R140 PolarHBondContact OD2-NE 3.03Å; D138-R140 IonicContact OD2-NH2 3.22Å; D138-R140 PolarHBondContact OD2-NH2 2.82Å; R140-Y142 PolarHBondContact O-N 2.79Å; R140-V143 PolarHBondContact O-N 3.16Å; R140-V143 VanDerWaalsContact O-N 3.16Å; R140-Q144 PolarHBondContact O-N 3.47Å
141T98.1Very high98.2Very high80 Ų8077.3 Ų77.349%0.49143%0.431SS..Hα-helixtrans-59.4-28.2-17954.50000113.2R23 L139 V143R23-T141 PolarHBondContact NH1-O 2.97Å; L139-T141 PolarHBondContact O-N 2.97Å; T141-V143 VanDerWaalsContact C-N 3.27Å; T141-V143 PolarHBondContact O-N 2.61Å
142Y98.7Very high98.2Very high34 Ų3475.2 Ų75.213%0.13343%0.431CS..Hα-helixtrans-66.9-28.3-179.9-69.5-83.9000113.1R23 M47 C48 K51 W52 L139 R140R23-Y142 WeakPolarHBondContact CD-O 3.41Å; R23-Y142 WeakPolarHBondContact CG-O 3.21Å; R23-Y142 PolarHBondContact NH1-O 2.93Å; M47-Y142 HydrophobicContact CB-CD1 4.48Å; M47-Y142 HydrophobicContact CB-CG 4.42Å; C48-Y142 HydrophobicContact CB-CD1 4.12Å; C48-Y142 HydrophobicContact CB-CD2 3.9Å; C48-Y142 HydrophobicContact CB-CE1 3.94Å; C48-Y142 HydrophobicContact CB-CE2 3.71Å; C48-Y142 HydrophobicContact CB-CG 4.11Å; C48-Y142 VanDerWaalsContact SG-CZ 3.51Å; C48-Y142 PolarHBondContact SG-OH 3.25Å; K51-Y142 HydrophobicContact CB-CD1 4.42Å; K51-Y142 HydrophobicContact CB-CE1 3.87Å; K51-Y142 HydrophobicContact CG-CE1 4.02Å; W52-Y142 PolarHBondContact NE1-OH 3.35Å; L139-Y142 HydrophobicContact CB-CD2 3.97Å; L139-Y142 HydrophobicContact CB-CE2 4.46Å; L139-Y142 HydrophobicContact CD2-CD2 4.03Å; L139-Y142 HydrophobicContact CD2-CE2 3.66Å; L139-Y142 WeakPolarHBondContact O-CD2 3.23Å; L139-Y142 PolarHBondContact O-N 2.79Å; L139-Y142 VanDerWaalsContact O-N 3.14Å; R140-Y142 PolarHBondContact O-N 2.79Å
143V98.8Very high98.2Very high33 Ų3375 Ų7520%0.242%0.424CS..Hα-helixtrans-114.9-5.9-179.1-63.90000113.7L43 A44 M47 R140 T141 G145 C146 V148L43-V143 HydrophobicContact CB-CG1 4.46Å; L43-V143 HydrophobicContact CD2-CG1 4.09Å; L43-V143 HydrophobicContact CG-CG1 3.96Å; A44-V143 HydrophobicContact CB-CG1 4.22Å; A44-V143 HydrophobicContact CB-CG2 4.23Å; M47-V143 HydrophobicContact CG-CG1 4.05Å; R140-V143 PolarHBondContact O-N 3.16Å; R140-V143 VanDerWaalsContact O-N 3.16Å; T141-V143 VanDerWaalsContact C-N 3.27Å; T141-V143 PolarHBondContact O-N 2.61Å; V143-G145 PolarHBondContact O-N 3.15Å; V143-C146 VanDerWaalsContact O-CB 3.3Å; V143-C146 WeakPolarHBondContact O-CB 3.44Å; V143-C146 PolarHBondContact O-N 3.21Å; V143-C146 VanDerWaalsContact O-N 3.15Å; V143-C146 PolarHBondContact O-SG 3.48Å; V143-V148 HydrophobicContact CB-CG2 4.27Å
144Q98.6Very high98.2Very high132 Ų13274.6 Ų74.662%0.61743%0.427SS*.THydrogen-bonded Turntrans-55.9133-179.5-173.7176.34.200112R23 R140 C146R23-Q144 VanDerWaalsContact CZ-O 3.3Å; R23-Q144 PolarHBondContact NH1-O 3.39Å; R23-Q144 PolarHBondContact NH2-O 2.87Å; R140-Q144 PolarHBondContact O-N 3.47Å; Q144-C146 PolarHBondContact O-N 3.3Å
145G98.5Very high98.2Very high80 Ų8079.9 Ų79.983%0.82546%0.457SS*.THydrogen-bonded Turntrans72.94.5178.600000115.2V143V143-G145 PolarHBondContact O-N 3.15Å
146C98.5Very high98.2Very high9 Ų982.2 Ų82.26%0.06147%0.474CS..SBendtrans-88.9-8-177.5-60.20000114.8R23 C24 A27 V143 Q144 V148R23-C146 PolarHBondContact NH1-SG 3.3Å; C24-C146 WeakPolarHBondContact CA-SG 3.47Å; C24-C146 HydrophobicContact CB-CB 3.6Å; C24-C146 WeakPolarHBondContact CB-SG 3.38Å; C24-C146 WeakPolarHBondContact SG-CA 3.31Å; C24-C146 WeakPolarHBondContact SG-CB 3.46Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 3.3Å; A27-C146 HydrophobicContact CB-CB 4.26Å; V143-C146 VanDerWaalsContact O-CB 3.3Å; V143-C146 WeakPolarHBondContact O-CB 3.44Å; V143-C146 PolarHBondContact O-N 3.21Å; V143-C146 VanDerWaalsContact O-N 3.15Å; V143-C146 PolarHBondContact O-SG 3.48Å; Q144-C146 PolarHBondContact O-N 3.3Å; C146-V148 HydrophobicContact CB-CG2 3.82Å
147G97.6Very high98.2Very high83 Ų8376.5 Ų76.586%0.85645%0.447SS*.  trans66.538-179.700000113.3
148V96.3Very high98.2Very high66 Ų6672.5 Ų72.540%0.444%0.436SS..  trans-130.30-178.7-70.40000111.3A27 R28 K31 L43 V143 C146A27-V148 HydrophobicContact CB-CG2 4.19Å; R28-V148 HydrophobicContact CB-CG1 4.39Å; R28-V148 HydrophobicContact CG-CG1 3.57Å; K31-V148 HydrophobicContact CD-CB 3.73Å; K31-V148 HydrophobicContact CD-CG1 3.87Å; K31-V148 WeakPolarHBondContact CE-OXT 3.12Å; K31-V148 PolarHBondContact NZ-OXT 3.47Å; L43-V148 HydrophobicContact CD2-CB 3.92Å; L43-V148 HydrophobicContact CD2-CG2 3.62Å; V143-V148 HydrophobicContact CB-CG2 4.27Å; C146-V148 HydrophobicContact CB-CG2 3.82Å

Retrieved 148 of 148 residues in 126.2 ms (Link to these results)

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