A0A5K4F7C4_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7C4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 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
1M44.4Very low50.5Low242 Ų242161.9 Ų161.9100%1.19279%0.792SS**  0109.40-85.6178.9152.700107.8
2N40.7Very low50.6Low164 Ų164153.3 Ų153.388%0.87777%0.767SS**  trans-74.8131.4172.8-84.3-16.6000109.1
3P48.6Very low50.5Low118 Ų118149.2 Ų149.277%0.76676%0.761SS**  trans-65.7136.7-176.325.1-31.7000110.7R5P3-R5 PolarHBondContact O-N 3.44Å
4I57.2Low50.3Low165 Ų165151.6 Ų151.685%0.84676%0.764SS**  trans-56.5113.4175.6-60.2168.7000107.5R6I4-R6 PolarHBondContact O-N 3.4Å
5R59Low50.2Low233 Ų233152 Ų15288%0.87976%0.759SS**  trans-53.3112.8178.7-173.4175.7177.4156.9-1.2108.5P3 L7P3-R5 PolarHBondContact O-N 3.44Å; R5-L7 PolarHBondContact O-N 3.26Å; R5-L7 VanDerWaalsContact O-N 3.15Å
6R55.2Low50Low230 Ų230150.6 Ų150.687%0.86876%0.761SS**PPolyproline II helixtrans-62.3116.3174.3-77.8-172.1-173.6-150.71.9108I4 T8I4-R6 PolarHBondContact O-N 3.4Å; R6-T8 PolarHBondContact O-N 3.27Å
7L46.1Very low49.9Very low155 Ų155150.8 Ų150.881%0.81276%0.763SS**PPolyproline II helixtrans-56.6118.9168.2-67.7167.4000107.4R5R5-L7 PolarHBondContact O-N 3.26Å; R5-L7 VanDerWaalsContact O-N 3.15Å
8T51.1Low50Low82 Ų82147.9 Ų147.950%0.50375%0.75SS.*PPolyproline II helixtrans-78.6146.5-179.2610000108.2R6 N10 D11R6-T8 PolarHBondContact O-N 3.27Å; T8-N10 PolarHBondContact O-N 3.33Å; T8-D11 PolarHBondContact N-OD2 2.89Å; T8-D11 WeakPolarHBondContact O-CB 3.31Å; T8-D11 PolarHBondContact O-N 3.13Å
9Q54.4Low50Low184 Ų184145.8 Ų145.886%0.8674%0.74SS**G310 helixtrans-59-14.6-179.9-61-176.5-6.900113.1D11 A12Q9-D11 PolarHBondContact O-N 2.92Å; Q9-A12 WeakPolarHBondContact O-CB 3.43Å; Q9-A12 PolarHBondContact O-N 3.24Å
10N51.5Low50.5Low130 Ų130143.7 Ų143.770%0.69574%0.737SS**G310 helixtrans-69-18.5172.6-66.1-11.7000113.4T8 A12 S13T8-N10 PolarHBondContact O-N 3.33Å; N10-A12 PolarHBondContact O-N 2.93Å; N10-S13 PolarHBondContact O-N 3.27Å; N10-S13 PolarHBondContact O-OG 3.18Å; N10-S13 VanDerWaalsContact O-OG 3.06Å
11D48Very low51.1Low78 Ų78141.1 Ų141.142%0.41772%0.722SS.*G310 helixtrans-69.6-14.2174-64.1-41.8000111.9T8 Q9 S13 F14T8-D11 PolarHBondContact N-OD2 2.89Å; T8-D11 WeakPolarHBondContact O-CB 3.31Å; T8-D11 PolarHBondContact O-N 3.13Å; Q9-D11 PolarHBondContact O-N 2.92Å; D11-S13 PolarHBondContact O-N 3.28Å; D11-F14 WeakPolarHBondContact O-CD2 3.37Å
12A51Low52.4Low59 Ų59134.5 Ų134.549%0.48869%0.691SS.*G310 helixtrans-74.4-4175.300000113.6Q9 N10 F14 K15Q9-A12 WeakPolarHBondContact O-CB 3.43Å; Q9-A12 PolarHBondContact O-N 3.24Å; N10-A12 PolarHBondContact O-N 2.93Å; A12-F14 VanDerWaalsContact C-N 3.26Å; A12-F14 PolarHBondContact O-N 3.06Å; A12-K15 VanDerWaalsContact O-CG 3.31Å; A12-K15 WeakPolarHBondContact O-CG 3.44Å
13S50.2Low54.4Low99 Ų99132.4 Ų132.469%0.69267%0.674SS**G310 helixtrans-79.4-2176.270.20000114N10 D11 K15N10-S13 PolarHBondContact O-N 3.27Å; N10-S13 PolarHBondContact O-OG 3.18Å; N10-S13 VanDerWaalsContact O-OG 3.06Å; D11-S13 PolarHBondContact O-N 3.28Å; S13-K15 PolarHBondContact O-N 3.21Å
14F47.6Very low56.1Low184 Ų184130.4 Ų130.481%0.80765%0.653SS**  trans-72.925.9164-66.9-74.9000112.8D11 A12 T16D11-F14 WeakPolarHBondContact O-CD2 3.37Å; A12-F14 VanDerWaalsContact C-N 3.26Å; A12-F14 PolarHBondContact O-N 3.06Å; F14-T16 PolarHBondContact O-N 2.94Å; F14-T16 VanDerWaalsContact O-N 3.13Å
15K48.7Very low57.4Low157 Ų157124.2 Ų124.268%0.68362%0.622SS**  trans-66.6109.1176-95.5172.8-177.9-179.60110.1A12 S13A12-K15 VanDerWaalsContact O-CG 3.31Å; A12-K15 WeakPolarHBondContact O-CG 3.44Å; S13-K15 PolarHBondContact O-N 3.21Å
16T46.3Very low58.7Low130 Ų130118.4 Ų118.480%0.79861%0.607SS**SBendtrans93.6-7.7138.669.10000120.8F14 N18F14-T16 PolarHBondContact O-N 2.94Å; F14-T16 VanDerWaalsContact O-N 3.13Å; T16-N18 PolarHBondContact O-N 3.45Å
17I48Very low60.4Low153 Ų153115.4 Ų115.479%0.78560%0.596SS**SBendtrans-87.6107.2173.9-57.2171.2000109.1
18N51.9Low62.5Low100 Ų100108.4 Ų108.454%0.53556%0.559SS.*SBendtrans76.521.8162.1-71.3-45.9000121T16 P20 H21 N22T16-N18 PolarHBondContact O-N 3.45Å; N18-P20 VanDerWaalsContact C-CD 3.47Å; N18-H21 HydrophobicContact CB-CB 4.27Å; N18-H21 PolarHBondContact O-N 3.06Å; N18-N22 WeakPolarHBondContact O-CB 3.28Å; N18-N22 PolarHBondContact O-N 3.01Å
19L51.1Low64.5Low107 Ų107109.6 Ų109.656%0.5656%0.557SS**Hα-helixtrans-55.1-42.4174.4-169.966.2000114.3K23L19-K23 HydrophobicContact CD1-CG 4.48Å; L19-K23 HydrophobicContact CG-CD 4.27Å; L19-K23 WeakPolarHBondContact O-CB 3.35Å; L19-K23 WeakPolarHBondContact O-CG 3.46Å; L19-K23 PolarHBondContact O-N 2.93Å
20P58.5Low66.4Low104 Ų104106.3 Ų106.368%0.67555%0.545SS*.Hα-helixtrans-65.4-41178.1-18.531.3000112.2N18 K23 K24N18-P20 VanDerWaalsContact C-CD 3.47Å; P20-K23 PolarHBondContact O-N 3.15Å; P20-K24 VanDerWaalsContact O-CB 3.28Å; P20-K24 WeakPolarHBondContact O-CB 3.49Å; P20-K24 PolarHBondContact O-N 3.05Å
21H63Low68.5Low90 Ų90104.4 Ų104.442%0.41753%0.528SS..Hα-helixtrans-67.5-42-179.4-163.976000111.2N18 K24 L25N18-H21 HydrophobicContact CB-CB 4.27Å; N18-H21 PolarHBondContact O-N 3.06Å; H21-K24 PolarHBondContact O-N 2.86Å; H21-L25 VanDerWaalsContact O-CB 3.27Å; H21-L25 WeakPolarHBondContact O-CB 3.09Å; H21-L25 PolarHBondContact O-N 3.41Å
22N72.6Confident70.8Confident102 Ų102101.2 Ų101.255%0.54551%0.511SS..Hα-helixtrans-64.8-44.5176.2-168.8-1.1000111.6N18 K24 L25 L26N18-N22 WeakPolarHBondContact O-CB 3.28Å; N18-N22 PolarHBondContact O-N 3.01Å; N22-K24 VanDerWaalsContact C-N 3.34Å; N22-K24 PolarHBondContact O-N 3.39Å; N22-L25 PolarHBondContact O-N 3.08Å; N22-L26 WeakPolarHBondContact O-CB 3.35Å; N22-L26 PolarHBondContact O-N 2.72Å
23K82.1Confident73Confident121 Ų121102.9 Ų102.953%0.52651%0.512SS..Hα-helixtrans-60.6-42.4175.5-75.6-179.6178.8-178.10112.3L19 P20 L26 R27L19-K23 HydrophobicContact CD1-CG 4.48Å; L19-K23 HydrophobicContact CG-CD 4.27Å; L19-K23 WeakPolarHBondContact O-CB 3.35Å; L19-K23 WeakPolarHBondContact O-CG 3.46Å; L19-K23 PolarHBondContact O-N 2.93Å; P20-K23 PolarHBondContact O-N 3.15Å; K23-L26 PolarHBondContact O-N 2.77Å; K23-R27 WeakPolarHBondContact O-CG 3.33Å; K23-R27 PolarHBondContact O-N 2.67Å; K23-R27 VanDerWaalsContact O-N 3.08Å
24K84.2Confident75.3Confident75 Ų75102.9 Ų102.933%0.32650%0.498SS..Hα-helixtrans-65.8-47.3178.7-173.4176.4-174.3-178.10111P20 H21 N22 L26 R27 Y28 D60P20-K24 VanDerWaalsContact O-CB 3.28Å; P20-K24 WeakPolarHBondContact O-CB 3.49Å; P20-K24 PolarHBondContact O-N 3.05Å; H21-K24 PolarHBondContact O-N 2.86Å; N22-K24 VanDerWaalsContact C-N 3.34Å; N22-K24 PolarHBondContact O-N 3.39Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L26 PolarHBondContact O-N 3.44Å; K24-R27 WeakPolarHBondContact O-CB 3.27Å; K24-R27 PolarHBondContact O-N 3.37Å; K24-Y28 HydrophobicContact CD-CE2 3.94Å; K24-Y28 WeakPolarHBondContact CE-OH 3.32Å; K24-Y28 HydrophobicContact CG-CD2 4.05Å; K24-Y28 HydrophobicContact CG-CE2 3.35Å; K24-Y28 WeakPolarHBondContact O-CD2 3.4Å; K24-Y28 PolarHBondContact O-N 3.06Å; K24-D60 WeakPolarHBondContact CE-OD2 3.45Å; K24-D60 IonicContact NZ-OD1 3.22Å; K24-D60 PolarHBondContact NZ-OD1 3.01Å; K24-D60 IonicContact NZ-OD2 2.65Å; K24-D60 PolarHBondContact NZ-OD2 3.33Å
25L84.5Confident77.7Confident36 Ų3694.1 Ų94.119%0.18846%0.459CS..Hα-helixtrans-58.3-43.6174.5178.154.2000112.3H21 N22 R27 Y28 K29 L63 L66H21-L25 VanDerWaalsContact O-CB 3.27Å; H21-L25 WeakPolarHBondContact O-CB 3.09Å; H21-L25 PolarHBondContact O-N 3.41Å; N22-L25 PolarHBondContact O-N 3.08Å; L25-R27 VanDerWaalsContact C-N 3.33Å; L25-R27 PolarHBondContact O-N 3.47Å; L25-Y28 PolarHBondContact O-N 3.47Å; L25-K29 HydrophobicContact CD1-CG 4.39Å; L25-K29 WeakPolarHBondContact O-CG 3.48Å; L25-K29 PolarHBondContact O-N 2.86Å; L25-L63 HydrophobicContact CD1-CD1 3.69Å; L25-L63 HydrophobicContact CG-CD1 4.49Å; L25-L66 HydrophobicContact CD1-CD2 4.03Å
26L87.8Confident80.1Confident110 Ų11088.1 Ų88.158%0.57644%0.436SS*.Hα-helixtrans-60.9-42.4177.1-176.961.4000111.7N22 K23 K24 Y28 K29 L30N22-L26 WeakPolarHBondContact O-CB 3.35Å; N22-L26 PolarHBondContact O-N 2.72Å; K23-L26 PolarHBondContact O-N 2.77Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L26 PolarHBondContact O-N 3.44Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 2.91Å; L26-K29 PolarHBondContact O-N 3.44Å; L26-L30 PolarHBondContact O-N 3.2Å
27R89.5Confident82.6Confident168 Ų16886.1 Ų86.163%0.63442%0.42SS*.Hα-helixtrans-61.2-42.5175.5-74.1179.5-177.7-160.5-0.5111.9K23 K24 L25 L30 Y31K23-R27 WeakPolarHBondContact O-CG 3.33Å; K23-R27 PolarHBondContact O-N 2.67Å; K23-R27 VanDerWaalsContact O-N 3.08Å; K24-R27 WeakPolarHBondContact O-CB 3.27Å; K24-R27 PolarHBondContact O-N 3.37Å; L25-R27 VanDerWaalsContact C-N 3.33Å; L25-R27 PolarHBondContact O-N 3.47Å; R27-L30 PolarHBondContact O-N 2.88Å; R27-Y31 PolarHBondContact O-N 3.24Å
28Y91.7Very high85Confident8 Ų879.7 Ų79.73%0.03139%0.387CS..Hα-helixtrans-69.3-35.7178.6-64.7-47.1000113.9K24 L25 L26 L30 Y31 L32 Y56 I57 D60 N61 L66K24-Y28 HydrophobicContact CD-CE2 3.94Å; K24-Y28 WeakPolarHBondContact CE-OH 3.32Å; K24-Y28 HydrophobicContact CG-CD2 4.05Å; K24-Y28 HydrophobicContact CG-CE2 3.35Å; K24-Y28 WeakPolarHBondContact O-CD2 3.4Å; K24-Y28 PolarHBondContact O-N 3.06Å; L25-Y28 PolarHBondContact O-N 3.47Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 2.91Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-Y31 HydrophobicContact CD1-CD2 4.14Å; Y28-Y31 PolarHBondContact O-N 3.45Å; Y28-L32 WeakPolarHBondContact O-CB 2.81Å; Y28-L32 PolarHBondContact O-N 3.02Å; Y28-Y56 HydrophobicContact CE1-CE1 4.17Å; Y28-I57 HydrophobicContact CD1-CB 4.32Å; Y28-I57 HydrophobicContact CD1-CG1 3.95Å; Y28-I57 HydrophobicContact CD1-CG2 4.14Å; Y28-I57 HydrophobicContact CG-CG2 4.09Å; Y28-D60 VanDerWaalsContact OH-CB 3.32Å; Y28-D60 WeakPolarHBondContact OH-CB 3.49Å; Y28-D60 VanDerWaalsContact OH-CG 3.22Å; Y28-D60 PolarHBondContact OH-OD2 3.02Å; Y28-N61 WeakPolarHBondContact CD2-ND2 3.46Å; Y28-N61 WeakPolarHBondContact CD2-OD1 3.4Å; Y28-N61 WeakPolarHBondContact CE2-ND2 3.37Å; Y28-N61 WeakPolarHBondContact CE2-OD1 3.48Å; Y28-L66 HydrophobicContact CG-CD2 4.5Å
29K92.1Very high87.2Confident107 Ų10775.3 Ų75.347%0.46536%0.364SS..Hα-helixtrans-59.9-45.7170.7-73.8-179.6176-172.90110.8L25 L26 Y31 L32 D33 L66L25-K29 HydrophobicContact CD1-CG 4.39Å; L25-K29 WeakPolarHBondContact O-CG 3.48Å; L25-K29 PolarHBondContact O-N 2.86Å; L26-K29 PolarHBondContact O-N 3.44Å; K29-Y31 PolarHBondContact O-N 3.19Å; K29-L32 WeakPolarHBondContact O-CB 3.47Å; K29-L32 PolarHBondContact O-N 3.37Å; K29-L32 VanDerWaalsContact O-N 3.14Å; K29-D33 VanDerWaalsContact O-CG 3.26Å; K29-D33 PolarHBondContact O-N 3.29Å; K29-L66 HydrophobicContact CG-CD1 4.45Å
30L94.4Very high89.4Confident114 Ų11477.1 Ų77.160%0.59737%0.367SS*.Hα-helixtrans-62.4-40.8177-174.865.3000112.7L26 R27 Y28 L32 D33 Y34L26-L30 PolarHBondContact O-N 3.2Å; R27-L30 PolarHBondContact O-N 2.88Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-D33 PolarHBondContact O-N 3.42Å; L30-Y34 WeakPolarHBondContact O-CB 2.91Å; L30-Y34 PolarHBondContact O-N 2.95Å
31Y95.4Very high91.2Very high90 Ų9074.4 Ų74.435%0.35335%0.349SS..Hα-helixtrans-66-36174.4-68.4-23.6000112.6R27 Y28 K29 A35 V53 Y56R27-Y31 PolarHBondContact O-N 3.24Å; Y28-Y31 HydrophobicContact CD1-CD2 4.14Å; Y28-Y31 PolarHBondContact O-N 3.45Å; K29-Y31 PolarHBondContact O-N 3.19Å; Y31-A35 WeakPolarHBondContact O-CB 2.92Å; Y31-A35 PolarHBondContact O-N 3.28Å; Y31-V53 WeakPolarHBondContact O-CG1 3.06Å; Y31-Y56 HydrophobicContact CD2-CD1 4.42Å; Y31-Y56 HydrophobicContact CD2-CE1 4.11Å; Y31-Y56 AromaticContact CE2-CE1 3.9Å; Y31-Y56 HydrophobicContact CE2-CE1 3.9Å
32L96Very high92.5Very high11 Ų1177.1 Ų77.16%0.05837%0.372CS..Hα-helixtrans-66.9-45.9174.3-175.359.4000110.6Y28 K29 L30 Y34 A35 V36 I54 I57 L66 D69 H73Y28-L32 WeakPolarHBondContact O-CB 2.81Å; Y28-L32 PolarHBondContact O-N 3.02Å; K29-L32 WeakPolarHBondContact O-CB 3.47Å; K29-L32 PolarHBondContact O-N 3.37Å; K29-L32 VanDerWaalsContact O-N 3.14Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L32-Y34 VanDerWaalsContact C-N 3.28Å; L32-Y34 PolarHBondContact O-N 2.98Å; L32-A35 PolarHBondContact O-N 3.38Å; L32-A35 VanDerWaalsContact O-N 3.13Å; L32-V36 HydrophobicContact CD1-CG2 4.34Å; L32-V36 HydrophobicContact CG-CG2 4.4Å; L32-V36 VanDerWaalsContact O-CG2 3.28Å; L32-V36 WeakPolarHBondContact O-CG2 3.41Å; L32-V36 PolarHBondContact O-N 2.89Å; L32-I54 HydrophobicContact CD1-CG1 3.99Å; L32-I57 HydrophobicContact CB-CD1 3.98Å; L32-L66 HydrophobicContact CD2-CD1 3.68Å; L32-D69 HydrophobicContact CD2-CB 3.85Å; L32-H73 HydrophobicContact CD1-CB 4.5Å
33D97.6Very high93.7Very high94 Ų9476.1 Ų76.150%0.50337%0.366SS..Hα-helixtrans-56.6-45.1176.5-66.7-25.8000110.9K29 L30 V36 D37K29-D33 VanDerWaalsContact O-CG 3.26Å; K29-D33 PolarHBondContact O-N 3.29Å; L30-D33 PolarHBondContact O-N 3.42Å; D33-V36 PolarHBondContact O-N 3.48Å; D33-D37 PolarHBondContact O-N 3.38Å
34Y98.5Very high94.4Very high99 Ų9976.9 Ų76.939%0.38837%0.37SS..Hα-helixtrans-59-48.4173.7171.5-112.3000112.8L30 L32 V36 D37 L38 E49 V53L30-Y34 WeakPolarHBondContact O-CB 2.91Å; L30-Y34 PolarHBondContact O-N 2.95Å; L32-Y34 VanDerWaalsContact C-N 3.28Å; L32-Y34 PolarHBondContact O-N 2.98Å; Y34-V36 VanDerWaalsContact C-N 3.29Å; Y34-V36 PolarHBondContact O-N 2.92Å; Y34-D37 PolarHBondContact O-N 3.42Å; Y34-L38 HydrophobicContact CD1-CD1 4.23Å; Y34-L38 HydrophobicContact CE1-CD1 3.61Å; Y34-L38 HydrophobicContact CE1-CG 4.32Å; Y34-L38 HydrophobicContact CE2-CD1 4.26Å; Y34-L38 HydrophobicContact CE2-CD2 4.22Å; Y34-L38 HydrophobicContact CE2-CG 4.12Å; Y34-L38 PolarHBondContact O-N 2.89Å; Y34-E49 PolarHBondContact OH-OE1 3.5Å; Y34-E49 VanDerWaalsContact OH-OE1 3.07Å; Y34-V53 HydrophobicContact CD1-CG2 4.38Å; Y34-V53 HydrophobicContact CE1-CG2 4.25Å
35A98.6Very high95.1Very high0 Ų076.5 Ų76.50%038%0.377CS..Hα-helixtrans-62.2-37.4177.300000112Y31 L32 D37 L38 L39 A50 V53 I54Y31-A35 WeakPolarHBondContact O-CB 2.92Å; Y31-A35 PolarHBondContact O-N 3.28Å; L32-A35 PolarHBondContact O-N 3.38Å; L32-A35 VanDerWaalsContact O-N 3.13Å; A35-D37 VanDerWaalsContact C-N 3.34Å; A35-L38 WeakPolarHBondContact O-CB 3.43Å; A35-L38 PolarHBondContact O-N 3.49Å; A35-L39 WeakPolarHBondContact O-CG 3.44Å; A35-L39 PolarHBondContact O-N 3.03Å; A35-A50 HydrophobicContact CB-CB 4.09Å; A35-A50 WeakPolarHBondContact O-CB 3.39Å; A35-V53 HydrophobicContact CB-CB 4.22Å; A35-V53 HydrophobicContact CB-CG1 4.07Å; A35-I54 HydrophobicContact CB-CD1 3.96Å; A35-I54 HydrophobicContact CB-CG1 3.66Å
36V98.5Very high95.8Very high31 Ų3176.9 Ų76.919%0.18838%0.379CS..Hα-helixtrans-65.2-38.5175.6172.90000111.2L32 D33 Y34 L39 K40 H73L32-V36 HydrophobicContact CD1-CG2 4.34Å; L32-V36 HydrophobicContact CG-CG2 4.4Å; L32-V36 VanDerWaalsContact O-CG2 3.28Å; L32-V36 WeakPolarHBondContact O-CG2 3.41Å; L32-V36 PolarHBondContact O-N 2.89Å; D33-V36 PolarHBondContact O-N 3.48Å; Y34-V36 VanDerWaalsContact C-N 3.29Å; Y34-V36 PolarHBondContact O-N 2.92Å; V36-L39 PolarHBondContact O-N 3.14Å; V36-K40 WeakPolarHBondContact O-CG 3.19Å; V36-K40 PolarHBondContact O-N 3.16Å; V36-K40 VanDerWaalsContact O-N 3.16Å; V36-H73 VanDerWaalsContact CG2-CE1 3.46Å; V36-H73 WeakPolarHBondContact CG2-CE1 3.47Å; V36-H73 WeakPolarHBondContact CG2-NE2 3.37Å
37D98.6Very high96.3Very high89 Ų8971.8 Ų71.848%0.47635%0.352SS..Hα-helixtrans-64.5-42.2174.1-75.9-22.1000112.1D33 Y34 A35 L39 K40D33-D37 PolarHBondContact O-N 3.38Å; Y34-D37 PolarHBondContact O-N 3.42Å; A35-D37 VanDerWaalsContact C-N 3.34Å; D37-L39 VanDerWaalsContact C-N 3.32Å; D37-L39 PolarHBondContact O-N 2.87Å; D37-K40 WeakPolarHBondContact O-CB 3.15Å; D37-K40 PolarHBondContact O-N 3.4Å; D37-K40 VanDerWaalsContact O-N 3.11Å; D37-K40 IonicContact OD1-NZ 2.72Å; D37-K40 PolarHBondContact OD1-NZ 3.43Å
38L98.6Very high96.7Very high17 Ų1767.9 Ų67.99%0.08934%0.342CS..Hα-helixtrans-59.4-43.2172-69.6179000111.8Y34 A35 K40 T41 N46 E49 A50Y34-L38 HydrophobicContact CD1-CD1 4.23Å; Y34-L38 HydrophobicContact CE1-CD1 3.61Å; Y34-L38 HydrophobicContact CE1-CG 4.32Å; Y34-L38 HydrophobicContact CE2-CD1 4.26Å; Y34-L38 HydrophobicContact CE2-CD2 4.22Å; Y34-L38 HydrophobicContact CE2-CG 4.12Å; Y34-L38 PolarHBondContact O-N 2.89Å; A35-L38 WeakPolarHBondContact O-CB 3.43Å; A35-L38 PolarHBondContact O-N 3.49Å; L38-K40 PolarHBondContact O-N 3.03Å; L38-T41 WeakPolarHBondContact O-CB 3.42Å; L38-T41 PolarHBondContact O-N 3.2Å; L38-T41 VanDerWaalsContact O-N 3.1Å; L38-T41 PolarHBondContact O-OG1 2.85Å; L38-N46 HydrophobicContact CB-CB 4.25Å; L38-N46 HydrophobicContact CD2-CB 4.01Å; L38-E49 HydrophobicContact CD1-CB 4.04Å; L38-E49 HydrophobicContact CD1-CG 3.77Å; L38-A50 HydrophobicContact CB-CB 3.84Å; L38-A50 HydrophobicContact CD1-CB 4.21Å
39L98.5Very high97.1Very high9 Ų971.1 Ų71.15%0.04736%0.358CS..Hα-helixtrans-65.5-13.6176.4-73.3178.6000113.7A35 V36 D37 T41 V47 A50 I54 H73 K80A35-L39 WeakPolarHBondContact O-CG 3.44Å; A35-L39 PolarHBondContact O-N 3.03Å; V36-L39 PolarHBondContact O-N 3.14Å; D37-L39 VanDerWaalsContact C-N 3.32Å; D37-L39 PolarHBondContact O-N 2.87Å; L39-T41 VanDerWaalsContact C-N 3.25Å; L39-V47 HydrophobicContact CD2-CG1 4.05Å; L39-V47 HydrophobicContact CD2-CG2 4.49Å; L39-A50 HydrophobicContact CD2-CB 3.82Å; L39-A50 HydrophobicContact CG-CB 3.7Å; L39-I54 HydrophobicContact CD1-CD1 4.16Å; L39-H73 HydrophobicContact CD1-CB 3.95Å; L39-H73 WeakPolarHBondContact CD1-O 3.49Å; L39-K80 VanDerWaalsContact O-CE 3.25Å; L39-K80 WeakPolarHBondContact O-CE 3.48Å; L39-K80 PolarHBondContact O-NZ 3.16Å
40K97.8Very high97.4Very high145 Ų14566 Ų6663%0.6334%0.335SS*.Hα-helixtrans-73.8-21.6172.7-69.9167.2-170.5164.50112V36 D37 L38V36-K40 WeakPolarHBondContact O-CG 3.19Å; V36-K40 PolarHBondContact O-N 3.16Å; V36-K40 VanDerWaalsContact O-N 3.16Å; D37-K40 WeakPolarHBondContact O-CB 3.15Å; D37-K40 PolarHBondContact O-N 3.4Å; D37-K40 VanDerWaalsContact O-N 3.11Å; D37-K40 IonicContact OD1-NZ 2.72Å; D37-K40 PolarHBondContact OD1-NZ 3.43Å; L38-K40 PolarHBondContact O-N 3.03Å
41T95.4Very high97.6Very high47 Ų4761.1 Ų61.129%0.28831%0.31SS..SBendtrans-80.3165-178.276.50000112.5L38 L39 N46 K80L38-T41 WeakPolarHBondContact O-CB 3.42Å; L38-T41 PolarHBondContact O-N 3.2Å; L38-T41 VanDerWaalsContact O-N 3.1Å; L38-T41 PolarHBondContact O-OG1 2.85Å; L39-T41 VanDerWaalsContact C-N 3.25Å; T41-N46 WeakPolarHBondContact OG1-CB 3.49Å; T41-N46 PolarHBondContact OG1-ND2 3.35Å; T41-N46 VanDerWaalsContact OG1-ND2 3.12Å; T41-K80 PolarHBondContact O-NZ 3.36Å
42T91.3Very high97.7Very high146 Ų14663.4 Ų63.490%0.89632%0.324SS*.  trans-95.8-2171.153.10000112.6K44T42-K44 PolarHBondContact O-N 2.98Å
43N97Very high97.8Very high81 Ų8164.1 Ų64.143%0.43333%0.329SS..  trans-73119.5-178.5-175.7-44.9000110S45 N46 V47N43-S45 VanDerWaalsContact C-N 3.27Å; N43-S45 PolarHBondContact O-N 3.26Å; N43-S45 WeakPolarHBondContact OD1-CA 3.32Å; N43-S45 WeakPolarHBondContact OD1-CB 3.49Å; N43-S45 PolarHBondContact OD1-N 3.39Å; N43-N46 HydrophobicContact CB-CB 4.18Å; N43-N46 PolarHBondContact O-N 3.38Å; N43-N46 VanDerWaalsContact O-N 3.17Å; N43-N46 PolarHBondContact OD1-N 2.89Å; N43-V47 WeakPolarHBondContact O-CG2 3.24Å; N43-V47 PolarHBondContact O-N 2.62Å; N43-V47 VanDerWaalsContact O-N 3.11Å
44K97.4Very high97.8Very high137 Ų13759.7 Ų59.760%0.59631%0.305SS*.Hα-helixtrans-58.5-36.6-179.2-168.1177.3-179.6177.70112.9T42 V47 M48 L81T42-K44 PolarHBondContact O-N 2.98Å; K44-V47 PolarHBondContact O-N 3.42Å; K44-M48 HydrophobicContact CG-CE 4.47Å; K44-M48 WeakPolarHBondContact O-CG 3.5Å; K44-M48 PolarHBondContact O-N 2.87Å; K44-L81 HydrophobicContact CD-CD2 4.38Å; K44-L81 HydrophobicContact CG-CD2 3.6Å
45S98.2Very high97.6Very high68 Ų6857.7 Ų57.748%0.47630%0.301SS..Hα-helixtrans-62.3-46.5176.8-1630000111.5N43 V47 M48 E49N43-S45 VanDerWaalsContact C-N 3.27Å; N43-S45 PolarHBondContact O-N 3.26Å; N43-S45 WeakPolarHBondContact OD1-CA 3.32Å; N43-S45 WeakPolarHBondContact OD1-CB 3.49Å; N43-S45 PolarHBondContact OD1-N 3.39Å; S45-V47 VanDerWaalsContact C-N 3.3Å; S45-V47 PolarHBondContact O-N 3.1Å; S45-M48 PolarHBondContact O-N 3.32Å; S45-E49 PolarHBondContact O-N 2.98Å
46N98.6Very high97.4Very high43 Ų4363.5 Ų63.523%0.2332%0.323CS..Hα-helixtrans-62.6-39177.6-66.52.2000111.5L38 T41 N43 E49 A50L38-N46 HydrophobicContact CB-CB 4.25Å; L38-N46 HydrophobicContact CD2-CB 4.01Å; T41-N46 WeakPolarHBondContact OG1-CB 3.49Å; T41-N46 PolarHBondContact OG1-ND2 3.35Å; T41-N46 VanDerWaalsContact OG1-ND2 3.12Å; N43-N46 HydrophobicContact CB-CB 4.18Å; N43-N46 PolarHBondContact O-N 3.38Å; N43-N46 VanDerWaalsContact O-N 3.17Å; N43-N46 PolarHBondContact OD1-N 2.89Å; N46-E49 PolarHBondContact O-N 3.07Å; N46-A50 WeakPolarHBondContact O-CB 3.45Å; N46-A50 PolarHBondContact O-N 3.2Å
47V98.7Very high97Very high4 Ų462.1 Ų62.12%0.02432%0.315CS..Hα-helixtrans-64.7-42.5177.1176.40000111.1L39 N43 K44 S45 A50 I51 G77 K80 L81L39-V47 HydrophobicContact CD2-CG1 4.05Å; L39-V47 HydrophobicContact CD2-CG2 4.49Å; N43-V47 WeakPolarHBondContact O-CG2 3.24Å; N43-V47 PolarHBondContact O-N 2.62Å; N43-V47 VanDerWaalsContact O-N 3.11Å; K44-V47 PolarHBondContact O-N 3.42Å; S45-V47 VanDerWaalsContact C-N 3.3Å; S45-V47 PolarHBondContact O-N 3.1Å; V47-A50 PolarHBondContact O-N 3.16Å; V47-I51 HydrophobicContact CG1-CD1 4.24Å; V47-I51 WeakPolarHBondContact O-CG1 3.36Å; V47-I51 PolarHBondContact O-N 3.04Å; V47-I51 VanDerWaalsContact O-N 3.1Å; V47-G77 WeakPolarHBondContact CG1-O 3.42Å; V47-K80 HydrophobicContact CG1-CB 3.98Å; V47-K80 HydrophobicContact CG2-CB 4.29Å; V47-K80 HydrophobicContact CG2-CD 4.01Å; V47-L81 HydrophobicContact CB-CD2 4.1Å; V47-L81 HydrophobicContact CG1-CD1 4.25Å; V47-L81 HydrophobicContact CG1-CD2 3.72Å; V47-L81 HydrophobicContact CG1-CG 3.72Å
48M98.6Very high96.6Very high85 Ų8559.6 Ų59.642%0.41930%0.301SS..Hα-helixtrans-63.7-45.7176.1-69-176.6-57.500111.4K44 S45 A50 I51 E52 L81K44-M48 HydrophobicContact CG-CE 4.47Å; K44-M48 WeakPolarHBondContact O-CG 3.5Å; K44-M48 PolarHBondContact O-N 2.87Å; S45-M48 PolarHBondContact O-N 3.32Å; M48-A50 VanDerWaalsContact C-N 3.33Å; M48-A50 PolarHBondContact O-N 2.7Å; M48-I51 WeakPolarHBondContact O-CB 3.39Å; M48-I51 PolarHBondContact O-N 2.84Å; M48-E52 PolarHBondContact O-N 2.97Å; M48-L81 HydrophobicContact CG-CD1 4.03Å; M48-L81 HydrophobicContact CG-CD2 4.3Å
49E98.6Very high96Very high76 Ų7667.5 Ų67.536%0.35534%0.335SS..Hα-helixtrans-60-42.6176.3-177.9172.9-167.100111.7Y34 L38 S45 N46 I51 E52 V53Y34-E49 PolarHBondContact OH-OE1 3.5Å; Y34-E49 VanDerWaalsContact OH-OE1 3.07Å; L38-E49 HydrophobicContact CD1-CB 4.04Å; L38-E49 HydrophobicContact CD1-CG 3.77Å; S45-E49 PolarHBondContact O-N 2.98Å; N46-E49 PolarHBondContact O-N 3.07Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-I51 PolarHBondContact O-N 3.02Å; E49-E52 PolarHBondContact O-N 3.38Å; E49-V53 WeakPolarHBondContact O-CG2 3.4Å; E49-V53 PolarHBondContact O-N 3.13Å
50A98.8Very high94.9Very high0 Ų071 Ų710%035%0.354CS..Hα-helixtrans-58.6-44.4175.400000112.3A35 L38 L39 N46 V47 M48 E52 V53 I54A35-A50 HydrophobicContact CB-CB 4.09Å; A35-A50 WeakPolarHBondContact O-CB 3.39Å; L38-A50 HydrophobicContact CB-CB 3.84Å; L38-A50 HydrophobicContact CD1-CB 4.21Å; L39-A50 HydrophobicContact CD2-CB 3.82Å; L39-A50 HydrophobicContact CG-CB 3.7Å; N46-A50 WeakPolarHBondContact O-CB 3.45Å; N46-A50 PolarHBondContact O-N 3.2Å; V47-A50 PolarHBondContact O-N 3.16Å; M48-A50 VanDerWaalsContact C-N 3.33Å; M48-A50 PolarHBondContact O-N 2.7Å; A50-E52 VanDerWaalsContact C-N 3.34Å; A50-E52 PolarHBondContact O-N 2.96Å; A50-V53 PolarHBondContact O-N 2.94Å; A50-I54 WeakPolarHBondContact O-CD1 3.37Å; A50-I54 WeakPolarHBondContact O-CG1 3.31Å; A50-I54 PolarHBondContact O-N 3.36Å
51I98.7Very high93.3Very high12 Ų1265.2 Ų65.26%0.06233%0.33CS..Hα-helixtrans-61.4-44.1177.2-70.2167.5000110.5V47 M48 E49 V53 I54 L55 L74 F78 L81V47-I51 HydrophobicContact CG1-CD1 4.24Å; V47-I51 WeakPolarHBondContact O-CG1 3.36Å; V47-I51 PolarHBondContact O-N 3.04Å; V47-I51 VanDerWaalsContact O-N 3.1Å; M48-I51 WeakPolarHBondContact O-CB 3.39Å; M48-I51 PolarHBondContact O-N 2.84Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-I51 PolarHBondContact O-N 3.02Å; I51-V53 PolarHBondContact O-N 3.31Å; I51-I54 PolarHBondContact O-N 3.5Å; I51-L55 HydrophobicContact CG2-CD1 3.85Å; I51-L55 HydrophobicContact CG2-CG 4.32Å; I51-L55 WeakPolarHBondContact O-CB 3.28Å; I51-L55 VanDerWaalsContact O-CG 3.31Å; I51-L55 WeakPolarHBondContact O-CG 3.45Å; I51-L55 PolarHBondContact O-N 2.96Å; I51-L74 HydrophobicContact CB-CD2 4.4Å; I51-L74 HydrophobicContact CG1-CD2 4.48Å; I51-L74 HydrophobicContact CG2-CD2 3.91Å; I51-F78 HydrophobicContact CD1-CD1 4.24Å; I51-F78 HydrophobicContact CD1-CE1 4.28Å; I51-F78 HydrophobicContact CD1-CG 4.36Å; I51-F78 HydrophobicContact CD1-CZ 4.41Å; I51-F78 HydrophobicContact CG2-CE1 4.44Å; I51-F78 HydrophobicContact CG2-CE2 3.96Å; I51-F78 HydrophobicContact CG2-CZ 3.73Å; I51-L81 HydrophobicContact CD1-CD1 3.54Å; I51-L81 HydrophobicContact CD1-CG 4.36Å
52E98.2Very high91.9Very high138 Ų13872.8 Ų72.865%0.64536%0.358SS*.Hα-helixtrans-61.1-44.8177.8-71.3-178.1173.100112.1M48 E49 A50 I54 L55 Y56M48-E52 PolarHBondContact O-N 2.97Å; E49-E52 PolarHBondContact O-N 3.38Å; A50-E52 VanDerWaalsContact C-N 3.34Å; A50-E52 PolarHBondContact O-N 2.96Å; E52-I54 PolarHBondContact O-N 3.39Å; E52-L55 PolarHBondContact O-N 3.26Å; E52-Y56 WeakPolarHBondContact O-CB 3.19Å; E52-Y56 PolarHBondContact O-N 3.18Å
53V97.4Very high90.5Very high26 Ų2668 Ų6816%0.15833%0.327CS..Hα-helixtrans-61.6-44.4176.41730000111Y31 Y34 A35 E49 A50 I51 Y56 I57Y31-V53 WeakPolarHBondContact O-CG1 3.06Å; Y34-V53 HydrophobicContact CD1-CG2 4.38Å; Y34-V53 HydrophobicContact CE1-CG2 4.25Å; A35-V53 HydrophobicContact CB-CB 4.22Å; A35-V53 HydrophobicContact CB-CG1 4.07Å; E49-V53 WeakPolarHBondContact O-CG2 3.4Å; E49-V53 PolarHBondContact O-N 3.13Å; A50-V53 PolarHBondContact O-N 2.94Å; I51-V53 PolarHBondContact O-N 3.31Å; V53-Y56 WeakPolarHBondContact O-CB 3.46Å; V53-Y56 PolarHBondContact O-N 3.47Å; V53-I57 HydrophobicContact CG1-CD1 4.19Å; V53-I57 WeakPolarHBondContact O-CG1 3.45Å; V53-I57 PolarHBondContact O-N 3.43Å
54I97.1Very high89.4Confident0 Ų069.4 Ų69.40%034%0.339CS..Hα-helixtrans-67-41.6179.6-62.4159.4000111.4L32 A35 L39 A50 I51 E52 Y56 I57 L58 C70 H73 L74L32-I54 HydrophobicContact CD1-CG1 3.99Å; A35-I54 HydrophobicContact CB-CD1 3.96Å; A35-I54 HydrophobicContact CB-CG1 3.66Å; L39-I54 HydrophobicContact CD1-CD1 4.16Å; A50-I54 WeakPolarHBondContact O-CD1 3.37Å; A50-I54 WeakPolarHBondContact O-CG1 3.31Å; A50-I54 PolarHBondContact O-N 3.36Å; I51-I54 PolarHBondContact O-N 3.5Å; E52-I54 PolarHBondContact O-N 3.39Å; I54-Y56 VanDerWaalsContact C-N 3.29Å; I54-Y56 PolarHBondContact O-N 2.89Å; I54-I57 WeakPolarHBondContact O-CB 3.46Å; I54-I57 PolarHBondContact O-N 3.39Å; I54-L58 PolarHBondContact O-N 3.46Å; I54-C70 HydrophobicContact CG2-CB 3.55Å; I54-C70 WeakPolarHBondContact CG2-O 3.44Å; I54-H73 HydrophobicContact CD1-CB 3.69Å; I54-L74 HydrophobicContact CB-CD2 3.96Å; I54-L74 HydrophobicContact CB-CG 4.23Å; I54-L74 HydrophobicContact CG2-CD1 4.03Å; I54-L74 HydrophobicContact CG2-CD2 3.89Å; I54-L74 HydrophobicContact CG2-CG 3.6Å
55L95.6Very high88.6Confident58 Ų5868.6 Ų68.630%0.30434%0.335SS..Hα-helixtrans-62.3-37.6174.5-73.7173.2000111.7I51 E52 L58 K59 L74I51-L55 HydrophobicContact CG2-CD1 3.85Å; I51-L55 HydrophobicContact CG2-CG 4.32Å; I51-L55 WeakPolarHBondContact O-CB 3.28Å; I51-L55 VanDerWaalsContact O-CG 3.31Å; I51-L55 WeakPolarHBondContact O-CG 3.45Å; I51-L55 PolarHBondContact O-N 2.96Å; E52-L55 PolarHBondContact O-N 3.26Å; L55-L58 PolarHBondContact O-N 2.83Å; L55-K59 WeakPolarHBondContact O-CG 3.44Å; L55-K59 PolarHBondContact O-N 3.36Å; L55-K59 VanDerWaalsContact O-N 3.16Å; L55-L74 HydrophobicContact CD2-CD1 3.96Å; L55-L74 HydrophobicContact CD2-CD2 4.18Å; L55-L74 HydrophobicContact CG-CD2 4.01Å
56Y93.1Very high88.1Confident122 Ų12266 Ų6648%0.47832%0.316SS..Hα-helixtrans-61.9-43.8173.2170-103.8000112.1Y28 Y31 E52 V53 I54 L58 K59Y28-Y56 HydrophobicContact CE1-CE1 4.17Å; Y31-Y56 HydrophobicContact CD2-CD1 4.42Å; Y31-Y56 HydrophobicContact CD2-CE1 4.11Å; Y31-Y56 AromaticContact CE2-CE1 3.9Å; Y31-Y56 HydrophobicContact CE2-CE1 3.9Å; E52-Y56 WeakPolarHBondContact O-CB 3.19Å; E52-Y56 PolarHBondContact O-N 3.18Å; V53-Y56 WeakPolarHBondContact O-CB 3.46Å; V53-Y56 PolarHBondContact O-N 3.47Å; I54-Y56 VanDerWaalsContact C-N 3.29Å; I54-Y56 PolarHBondContact O-N 2.89Å; Y56-L58 VanDerWaalsContact C-N 3.33Å; Y56-L58 PolarHBondContact O-N 3.46Å; Y56-K59 PolarHBondContact O-N 3.12Å
57I92.1Very high87.7Confident1 Ų167.3 Ų67.31%0.00532%0.321CS..Hα-helixtrans-60.5-42.5176.2-64.8162.2000111.3Y28 L32 V53 I54 N61 L66Y28-I57 HydrophobicContact CD1-CB 4.32Å; Y28-I57 HydrophobicContact CD1-CG1 3.95Å; Y28-I57 HydrophobicContact CD1-CG2 4.14Å; Y28-I57 HydrophobicContact CG-CG2 4.09Å; L32-I57 HydrophobicContact CB-CD1 3.98Å; V53-I57 HydrophobicContact CG1-CD1 4.19Å; V53-I57 WeakPolarHBondContact O-CG1 3.45Å; V53-I57 PolarHBondContact O-N 3.43Å; I54-I57 WeakPolarHBondContact O-CB 3.46Å; I54-I57 PolarHBondContact O-N 3.39Å; I57-N61 PolarHBondContact O-ND2 2.84Å; I57-L66 HydrophobicContact CG2-CD2 3.88Å; I57-L66 HydrophobicContact CG2-CG 4.25Å
58L89.6Confident87.4Confident36 Ų3667.6 Ų67.619%0.18832%0.322CS..Hα-helixtrans-68.5-34-177.5-79.4-179.7000113.8I54 L55 Y56 D60 Q67 C70 L71 L74I54-L58 PolarHBondContact O-N 3.46Å; L55-L58 PolarHBondContact O-N 2.83Å; Y56-L58 VanDerWaalsContact C-N 3.33Å; Y56-L58 PolarHBondContact O-N 3.46Å; L58-D60 PolarHBondContact O-N 3.34Å; L58-Q67 HydrophobicContact CD2-CB 4.17Å; L58-Q67 HydrophobicContact CD2-CG 3.82Å; L58-C70 HydrophobicContact CD1-CB 4.01Å; L58-C70 HydrophobicContact CD2-CB 3.53Å; L58-C70 HydrophobicContact CG-CB 3.64Å; L58-L71 HydrophobicContact CD1-CD2 4.2Å; L58-L74 HydrophobicContact CD1-CD1 3.43Å; L58-L74 VanDerWaalsContact CD1-CD1 3.43Å
59K86.6Confident87.3Confident184 Ų18466.3 Ų66.380%0.832%0.317SS*.Hα-helixtrans-59.2-30.7-179.2-78.5175.5-178.3179.90113.4L55 Y56L55-K59 WeakPolarHBondContact O-CG 3.44Å; L55-K59 PolarHBondContact O-N 3.36Å; L55-K59 VanDerWaalsContact O-N 3.16Å; Y56-K59 PolarHBondContact O-N 3.12Å
60D74.5Confident87.1Confident83 Ų8362.7 Ų62.744%0.44430%0.3SS..THydrogen-bonded Turntrans-109.91.9-168.3-157.5-0.8000113.6K24 Y28 L58K24-D60 WeakPolarHBondContact CE-OD2 3.45Å; K24-D60 IonicContact NZ-OD1 3.22Å; K24-D60 PolarHBondContact NZ-OD1 3.01Å; K24-D60 IonicContact NZ-OD2 2.65Å; K24-D60 PolarHBondContact NZ-OD2 3.33Å; Y28-D60 VanDerWaalsContact OH-CB 3.32Å; Y28-D60 WeakPolarHBondContact OH-CB 3.49Å; Y28-D60 VanDerWaalsContact OH-CG 3.22Å; Y28-D60 PolarHBondContact OH-OD2 3.02Å; L58-D60 PolarHBondContact O-N 3.34Å
61N64.5Low87Confident23 Ų2363.4 Ų63.412%0.12330%0.304CS..  trans-126.8133.6-175.9-71.8-70000114.2Y28 I57 L63Y28-N61 WeakPolarHBondContact CD2-ND2 3.46Å; Y28-N61 WeakPolarHBondContact CD2-OD1 3.4Å; Y28-N61 WeakPolarHBondContact CE2-ND2 3.37Å; Y28-N61 WeakPolarHBondContact CE2-OD1 3.48Å; I57-N61 PolarHBondContact O-ND2 2.84Å; N61-L63 HydrophobicContact CB-CB 4.48Å
62K65.8Low87Confident205 Ų20564.6 Ų64.689%0.89131%0.308SS*.  trans-100.226.4163.7-61.3-174.6178.9-176.60112.3
63L61.3Low87Confident47 Ų4759.8 Ų59.825%0.24629%0.285CS..  trans-90.4112.4-175.4-76.8164.1000110.2L25 N61 K65 L66 Q67L25-L63 HydrophobicContact CD1-CD1 3.69Å; L25-L63 HydrophobicContact CG-CD1 4.49Å; N61-L63 HydrophobicContact CB-CB 4.48Å; L63-K65 PolarHBondContact O-N 3.41Å; L63-L66 HydrophobicContact CB-CB 4.36Å; L63-L66 PolarHBondContact O-N 3.22Å; L63-Q67 WeakPolarHBondContact O-CB 3.48Å; L63-Q67 PolarHBondContact O-N 3.11Å
64T74Confident87Confident110 Ų11058.5 Ų58.568%0.67528%0.278SS*.Hα-helixtrans-56.9-48.9-169.249.30000113.4Q67 T68T64-Q67 WeakPolarHBondContact O-CB 3.38Å; T64-Q67 PolarHBondContact O-N 3.32Å; T64-T68 PolarHBondContact O-N 3.02Å
65K81.9Confident87.1Confident120 Ų12058.5 Ų58.552%0.52228%0.278SS..Hα-helixtrans-70.2-46.6-176.1-172.360.3-171.8159.10113.1L63 Q67 T68 D69L63-K65 PolarHBondContact O-N 3.41Å; K65-Q67 PolarHBondContact O-N 3.32Å; K65-T68 PolarHBondContact O-N 2.95Å; K65-T68 VanDerWaalsContact O-N 3.16Å; K65-T68 PolarHBondContact O-OG1 3.11Å; K65-D69 IonicContact NZ-OD1 3.25Å; K65-D69 PolarHBondContact O-N 3.08Å
66L86.7Confident87.3Confident12 Ų1257.3 Ų57.36%0.06327%0.273CS..Hα-helixtrans-61.2-36.6176.1-177.466.7000110.9L25 Y28 K29 L32 I57 L63 D69 C70L25-L66 HydrophobicContact CD1-CD2 4.03Å; Y28-L66 HydrophobicContact CG-CD2 4.5Å; K29-L66 HydrophobicContact CG-CD1 4.45Å; L32-L66 HydrophobicContact CD2-CD1 3.68Å; I57-L66 HydrophobicContact CG2-CD2 3.88Å; I57-L66 HydrophobicContact CG2-CG 4.25Å; L63-L66 HydrophobicContact CB-CB 4.36Å; L63-L66 PolarHBondContact O-N 3.22Å; L66-D69 PolarHBondContact O-N 3.03Å; L66-C70 WeakPolarHBondContact O-CB 3.33Å; L66-C70 PolarHBondContact O-N 3.13Å; L66-C70 PolarHBondContact O-SG 2.73Å
67Q90Very high87.5Confident72 Ų7251.5 Ų51.534%0.33625%0.25SC..Hα-helixtrans-62.4-46.8174.7-179.7179.119.600111.5L58 L63 T64 K65 D69 C70 L71L58-Q67 HydrophobicContact CD2-CB 4.17Å; L58-Q67 HydrophobicContact CD2-CG 3.82Å; L63-Q67 WeakPolarHBondContact O-CB 3.48Å; L63-Q67 PolarHBondContact O-N 3.11Å; T64-Q67 WeakPolarHBondContact O-CB 3.38Å; T64-Q67 PolarHBondContact O-N 3.32Å; K65-Q67 PolarHBondContact O-N 3.32Å; Q67-D69 VanDerWaalsContact C-N 3.3Å; Q67-D69 PolarHBondContact O-N 3Å; Q67-C70 WeakPolarHBondContact O-CB 3.2Å; Q67-C70 PolarHBondContact O-N 3.21Å; Q67-L71 HydrophobicContact CG-CD1 4.07Å; Q67-L71 HydrophobicContact CG-CG 4.36Å; Q67-L71 VanDerWaalsContact O-CG 3.24Å; Q67-L71 WeakPolarHBondContact O-CG 2.87Å; Q67-L71 PolarHBondContact O-N 3.46Å
68T93.6Very high87.9Confident9 Ų952.5 Ų52.56%0.05525%0.254CS..Hα-helixtrans-60.3-40.517654.60000112T64 K65 L71 Y72 L94 I97T64-T68 PolarHBondContact O-N 3.02Å; K65-T68 PolarHBondContact O-N 2.95Å; K65-T68 VanDerWaalsContact O-N 3.16Å; K65-T68 PolarHBondContact O-OG1 3.11Å; T68-L71 PolarHBondContact O-N 3.07Å; T68-Y72 WeakPolarHBondContact O-CB 3.36Å; T68-Y72 PolarHBondContact O-N 3.46Å; T68-L94 HydrophobicContact CG2-CD2 4.21Å; T68-L94 WeakPolarHBondContact O-CD2 3.43Å; T68-I97 HydrophobicContact CG2-CD1 4.03Å; T68-I97 HydrophobicContact CG2-CG2 4.04Å
69D94.6Very high88.3Confident58 Ų5851.1 Ų51.131%0.3125%0.247SC..Hα-helixtrans-67-41.3178.8-61.5-21.8000110.7L32 K65 L66 Q67 Y72 H73L32-D69 HydrophobicContact CD2-CB 3.85Å; K65-D69 IonicContact NZ-OD1 3.25Å; K65-D69 PolarHBondContact O-N 3.08Å; L66-D69 PolarHBondContact O-N 3.03Å; Q67-D69 VanDerWaalsContact C-N 3.3Å; Q67-D69 PolarHBondContact O-N 3Å; D69-Y72 PolarHBondContact O-N 3.4Å; D69-H73 PolarHBondContact O-CD2 3.17Å; D69-H73 PolarHBondContact O-N 2.73Å
70C95.7Very high88.8Confident0 Ų046.2 Ų46.20%023%0.226CC..Hα-helixtrans-60.9-48.8174.1-70.70000112.2I54 L58 L66 Q67 Y72 H73 L74I54-C70 HydrophobicContact CG2-CB 3.55Å; I54-C70 WeakPolarHBondContact CG2-O 3.44Å; L58-C70 HydrophobicContact CD1-CB 4.01Å; L58-C70 HydrophobicContact CD2-CB 3.53Å; L58-C70 HydrophobicContact CG-CB 3.64Å; L66-C70 WeakPolarHBondContact O-CB 3.33Å; L66-C70 PolarHBondContact O-N 3.13Å; L66-C70 PolarHBondContact O-SG 2.73Å; Q67-C70 WeakPolarHBondContact O-CB 3.2Å; Q67-C70 PolarHBondContact O-N 3.21Å; C70-Y72 PolarHBondContact O-N 3.23Å; C70-H73 PolarHBondContact O-N 3.32Å; C70-L74 WeakPolarHBondContact O-CG 3.39Å; C70-L74 PolarHBondContact O-N 3.42Å
71L96.4Very high89.9Confident15 Ų1544.3 Ų44.38%0.07922%0.215CC..Hα-helixtrans-59.9-38.6178.7-66.3170.1000111.1L58 Q67 T68 L74 A75 Y90 L94 I97L58-L71 HydrophobicContact CD1-CD2 4.2Å; Q67-L71 HydrophobicContact CG-CD1 4.07Å; Q67-L71 HydrophobicContact CG-CG 4.36Å; Q67-L71 VanDerWaalsContact O-CG 3.24Å; Q67-L71 WeakPolarHBondContact O-CG 2.87Å; Q67-L71 PolarHBondContact O-N 3.46Å; T68-L71 PolarHBondContact O-N 3.07Å; L71-L74 PolarHBondContact O-N 3.1Å; L71-A75 PolarHBondContact O-N 2.94Å; L71-Y90 HydrophobicContact CD2-CD1 3.58Å; L71-Y90 HydrophobicContact CD2-CE1 4.02Å; L71-L94 HydrophobicContact CB-CD1 4.12Å; L71-L94 HydrophobicContact CB-CD2 3.8Å; L71-L94 HydrophobicContact CB-CG 3.74Å; L71-L94 HydrophobicContact CD1-CD2 4.15Å; L71-L94 HydrophobicContact CD1-CG 4.4Å; L71-I97 HydrophobicContact CD1-CD1 4.13Å
72Y98.2Very high91.5Very high38 Ų3847.3 Ų47.315%0.14923%0.232CC..Hα-helixtrans-64.6-46.8177.7-178.8-86.2000110.9T68 D69 C70 L74 A75 V76 L94 R103 I104 L107T68-Y72 WeakPolarHBondContact O-CB 3.36Å; T68-Y72 PolarHBondContact O-N 3.46Å; D69-Y72 PolarHBondContact O-N 3.4Å; C70-Y72 PolarHBondContact O-N 3.23Å; Y72-L74 VanDerWaalsContact C-N 3.33Å; Y72-L74 PolarHBondContact O-N 3.41Å; Y72-A75 WeakPolarHBondContact O-CB 3.47Å; Y72-A75 PolarHBondContact O-N 3.01Å; Y72-V76 HydrophobicContact CD1-CG2 4.18Å; Y72-V76 HydrophobicContact CE1-CG2 3.67Å; Y72-V76 WeakPolarHBondContact O-CG2 3.36Å; Y72-V76 PolarHBondContact O-N 3.32Å; Y72-V76 VanDerWaalsContact O-N 3.09Å; Y72-L94 HydrophobicContact CD2-CD1 4.33Å; Y72-R103 HydrophobicContact CE2-CG 3.84Å; Y72-R103 VanDerWaalsContact CZ-CZ 3.44Å; Y72-R103 PolarHBondContact OH-NE 2.99Å; Y72-R103 PolarHBondContact OH-NH2 2.61Å; Y72-I104 HydrophobicContact CD2-CG1 4.31Å; Y72-L107 HydrophobicContact CD2-CD2 4.35Å; Y72-L107 HydrophobicContact CE2-CD2 3.94Å
73H98.4Very high93Very high36 Ų3640 Ų4017%0.16720%0.202CC..Hα-helixtrans-70.2-27.6178.9-72.6-61.4000113.3L32 V36 L39 I54 D69 C70 G77L32-H73 HydrophobicContact CD1-CB 4.5Å; V36-H73 VanDerWaalsContact CG2-CE1 3.46Å; V36-H73 WeakPolarHBondContact CG2-CE1 3.47Å; V36-H73 WeakPolarHBondContact CG2-NE2 3.37Å; L39-H73 HydrophobicContact CD1-CB 3.95Å; L39-H73 WeakPolarHBondContact CD1-O 3.49Å; I54-H73 HydrophobicContact CD1-CB 3.69Å; D69-H73 PolarHBondContact O-CD2 3.17Å; D69-H73 PolarHBondContact O-N 2.73Å; C70-H73 PolarHBondContact O-N 3.32Å; H73-G77 PolarHBondContact O-N 3.17Å
74L98.4Very high94.8Very high0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-64.7-46.9168-74.2171.8000111.6I51 I54 L55 L58 C70 L71 Y72 V76 G77 F78 Y90I51-L74 HydrophobicContact CB-CD2 4.4Å; I51-L74 HydrophobicContact CG1-CD2 4.48Å; I51-L74 HydrophobicContact CG2-CD2 3.91Å; I54-L74 HydrophobicContact CB-CD2 3.96Å; I54-L74 HydrophobicContact CB-CG 4.23Å; I54-L74 HydrophobicContact CG2-CD1 4.03Å; I54-L74 HydrophobicContact CG2-CD2 3.89Å; I54-L74 HydrophobicContact CG2-CG 3.6Å; L55-L74 HydrophobicContact CD2-CD1 3.96Å; L55-L74 HydrophobicContact CD2-CD2 4.18Å; L55-L74 HydrophobicContact CG-CD2 4.01Å; L58-L74 HydrophobicContact CD1-CD1 3.43Å; L58-L74 VanDerWaalsContact CD1-CD1 3.43Å; C70-L74 WeakPolarHBondContact O-CG 3.39Å; C70-L74 PolarHBondContact O-N 3.42Å; L71-L74 PolarHBondContact O-N 3.1Å; Y72-L74 VanDerWaalsContact C-N 3.33Å; Y72-L74 PolarHBondContact O-N 3.41Å; L74-V76 VanDerWaalsContact C-N 3.27Å; L74-V76 PolarHBondContact O-N 2.9Å; L74-G77 PolarHBondContact O-N 3.39Å; L74-G77 VanDerWaalsContact O-N 3.11Å; L74-F78 HydrophobicContact CB-CD2 4.37Å; L74-F78 HydrophobicContact CB-CE2 4.42Å; L74-F78 HydrophobicContact CD2-CE2 4.09Å; L74-F78 WeakPolarHBondContact O-CD2 3.33Å; L74-F78 PolarHBondContact O-N 3.03Å; L74-Y90 HydrophobicContact CB-CD1 4.15Å; L74-Y90 HydrophobicContact CB-CD2 3.8Å; L74-Y90 HydrophobicContact CB-CE1 4.32Å; L74-Y90 HydrophobicContact CB-CE2 4.04Å; L74-Y90 HydrophobicContact CB-CG 3.89Å; L74-Y90 HydrophobicContact CD1-CD1 4.04Å; L74-Y90 HydrophobicContact CD1-CE1 3.57Å; L74-Y90 HydrophobicContact CD1-CE2 4.36Å
75A98.8Very high96Very high0 Ų040.7 Ų40.70%020%0.195CC..Hα-helixtrans-56.2-44.6176.800000111.6L71 Y72 L79 A87 L107L71-A75 PolarHBondContact O-N 2.94Å; Y72-A75 WeakPolarHBondContact O-CB 3.47Å; Y72-A75 PolarHBondContact O-N 3.01Å; A75-L79 VanDerWaalsContact O-CB 3.31Å; A75-L79 WeakPolarHBondContact O-CB 3.38Å; A75-L79 PolarHBondContact O-N 3.33Å; A75-A87 WeakPolarHBondContact O-CB 3.2Å; A75-L107 HydrophobicContact CB-CD2 3.78Å
76V98.7Very high96.8Very high32 Ų3237.3 Ų37.319%0.19418%0.183CC..Hα-helixtrans-62.6-44.8174.9173.30000112Y72 L74 L79 K80 L107Y72-V76 HydrophobicContact CD1-CG2 4.18Å; Y72-V76 HydrophobicContact CE1-CG2 3.67Å; Y72-V76 WeakPolarHBondContact O-CG2 3.36Å; Y72-V76 PolarHBondContact O-N 3.32Å; Y72-V76 VanDerWaalsContact O-N 3.09Å; L74-V76 VanDerWaalsContact C-N 3.27Å; L74-V76 PolarHBondContact O-N 2.9Å; V76-L79 PolarHBondContact O-N 3.43Å; V76-K80 WeakPolarHBondContact O-CG 3.48Å; V76-K80 PolarHBondContact O-N 2.91Å; V76-L107 HydrophobicContact CG2-CD1 4.44Å; V76-L107 HydrophobicContact CG2-CD2 4.03Å
77G98.7Very high97.3Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-60.8-50.1178.800000112.5V47 H73 L74 L79 K80 L81V47-G77 WeakPolarHBondContact CG1-O 3.42Å; H73-G77 PolarHBondContact O-N 3.17Å; L74-G77 PolarHBondContact O-N 3.39Å; L74-G77 VanDerWaalsContact O-N 3.11Å; G77-L79 VanDerWaalsContact C-N 3.34Å; G77-L79 PolarHBondContact O-N 3.29Å; G77-K80 WeakPolarHBondContact O-CB 3.44Å; G77-K80 PolarHBondContact O-N 3.11Å; G77-K80 VanDerWaalsContact O-N 3.17Å; G77-L81 PolarHBondContact O-N 2.68Å
78F98.8Very high97.8Very high22 Ų2235 Ų3510%0.09617%0.174CC..Hα-helixtrans-65-36.8178.1-76.6-69.7000112.4I51 L74 K80 L81 N82 D83 N86 A87 Y90I51-F78 HydrophobicContact CD1-CD1 4.24Å; I51-F78 HydrophobicContact CD1-CE1 4.28Å; I51-F78 HydrophobicContact CD1-CG 4.36Å; I51-F78 HydrophobicContact CD1-CZ 4.41Å; I51-F78 HydrophobicContact CG2-CE1 4.44Å; I51-F78 HydrophobicContact CG2-CE2 3.96Å; I51-F78 HydrophobicContact CG2-CZ 3.73Å; L74-F78 HydrophobicContact CB-CD2 4.37Å; L74-F78 HydrophobicContact CB-CE2 4.42Å; L74-F78 HydrophobicContact CD2-CE2 4.09Å; L74-F78 WeakPolarHBondContact O-CD2 3.33Å; L74-F78 PolarHBondContact O-N 3.03Å; F78-K80 VanDerWaalsContact C-N 3.31Å; F78-K80 PolarHBondContact O-N 2.88Å; F78-L81 CarbonylContact O-C 3.56Å; F78-L81 PolarHBondContact O-N 3.11Å; F78-L81 VanDerWaalsContact O-N 3.07Å; F78-N82 PolarHBondContact O-N 2.89Å; F78-D83 HydrophobicContact CB-CB 4.23Å; F78-D83 HydrophobicContact CD1-CB 3.93Å; F78-D83 PolarHBondContact O-N 3.48Å; F78-N86 HydrophobicContact CB-CB 4.01Å; F78-N86 HydrophobicContact CD1-CB 3.51Å; F78-N86 HydrophobicContact CD2-CB 3.83Å; F78-N86 HydrophobicContact CE1-CB 3.85Å; F78-N86 HydrophobicContact CE2-CB 4.18Å; F78-N86 HydrophobicContact CG-CB 3.5Å; F78-N86 VanDerWaalsContact CG-CB 3.5Å; F78-N86 HydrophobicContact CZ-CB 4.18Å; F78-A87 HydrophobicContact CB-CB 3.92Å; F78-Y90 AromaticContact CD2-CD2 3.72Å; F78-Y90 HydrophobicContact CD2-CD2 3.72Å; F78-Y90 AromaticContact CD2-CE2 3.47Å; F78-Y90 HydrophobicContact CD2-CE2 3.47Å; F78-Y90 VanDerWaalsContact CD2-CE2 3.47Å; F78-Y90 AromaticContact CE2-CD2 3.99Å; F78-Y90 HydrophobicContact CE2-CD2 3.99Å; F78-Y90 AromaticContact CE2-CE2 3.25Å; F78-Y90 HydrophobicContact CE2-CE2 3.25Å; F78-Y90 HydrophobicContact CZ-CE2 4.24Å
79L98.6Very high98Very high7 Ų737.4 Ų37.44%0.03719%0.186CC..Hα-helixtrans-60.6-40.3172.8179.357.1000111.9A75 V76 G77 L81 N82 Y84 A87 L107 E110 I111A75-L79 VanDerWaalsContact O-CB 3.31Å; A75-L79 WeakPolarHBondContact O-CB 3.38Å; A75-L79 PolarHBondContact O-N 3.33Å; V76-L79 PolarHBondContact O-N 3.43Å; G77-L79 VanDerWaalsContact C-N 3.34Å; G77-L79 PolarHBondContact O-N 3.29Å; L79-L81 PolarHBondContact O-N 3.07Å; L79-N82 PolarHBondContact O-N 3.3Å; L79-Y84 HydrophobicContact CD1-CD1 4.01Å; L79-Y84 HydrophobicContact CD1-CE1 3.93Å; L79-A87 HydrophobicContact CB-CB 4.18Å; L79-L107 HydrophobicContact CD2-CD1 3.67Å; L79-E110 HydrophobicContact CD2-CG 4.17Å; L79-I111 HydrophobicContact CB-CG1 4.41Å; L79-I111 HydrophobicContact CD1-CB 4.41Å; L79-I111 HydrophobicContact CD1-CG1 3.79Å; L79-I111 HydrophobicContact CD2-CG1 3.96Å; L79-I111 HydrophobicContact CG-CG1 4.26Å
80K98Very high98.2Very high81 Ų8136.7 Ų36.735%0.35218%0.179SC..Hα-helixtrans-65-23.9175.2-78-169.9164.5-146.60113.7L39 T41 V47 V76 G77 F78 N82L39-K80 VanDerWaalsContact O-CE 3.25Å; L39-K80 WeakPolarHBondContact O-CE 3.48Å; L39-K80 PolarHBondContact O-NZ 3.16Å; T41-K80 PolarHBondContact O-NZ 3.36Å; V47-K80 HydrophobicContact CG1-CB 3.98Å; V47-K80 HydrophobicContact CG2-CB 4.29Å; V47-K80 HydrophobicContact CG2-CD 4.01Å; V76-K80 WeakPolarHBondContact O-CG 3.48Å; V76-K80 PolarHBondContact O-N 2.91Å; G77-K80 WeakPolarHBondContact O-CB 3.44Å; G77-K80 PolarHBondContact O-N 3.11Å; G77-K80 VanDerWaalsContact O-N 3.17Å; F78-K80 VanDerWaalsContact C-N 3.31Å; F78-K80 PolarHBondContact O-N 2.88Å; K80-N82 VanDerWaalsContact C-N 3.31Å
81L97.8Very high98.3Very high44 Ų4436.7 Ų36.723%0.2318%0.179CC..THydrogen-bonded Turntrans-89.44174.2-61.3-177.6000112.9K44 V47 M48 I51 G77 F78 L79 D83K44-L81 HydrophobicContact CD-CD2 4.38Å; K44-L81 HydrophobicContact CG-CD2 3.6Å; V47-L81 HydrophobicContact CB-CD2 4.1Å; V47-L81 HydrophobicContact CG1-CD1 4.25Å; V47-L81 HydrophobicContact CG1-CD2 3.72Å; V47-L81 HydrophobicContact CG1-CG 3.72Å; M48-L81 HydrophobicContact CG-CD1 4.03Å; M48-L81 HydrophobicContact CG-CD2 4.3Å; I51-L81 HydrophobicContact CD1-CD1 3.54Å; I51-L81 HydrophobicContact CD1-CG 4.36Å; G77-L81 PolarHBondContact O-N 2.68Å; F78-L81 CarbonylContact O-C 3.56Å; F78-L81 PolarHBondContact O-N 3.11Å; F78-L81 VanDerWaalsContact O-N 3.07Å; L79-L81 PolarHBondContact O-N 3.07Å; L81-D83 PolarHBondContact O-N 3.19Å
82N97.1Very high98.4Very high86 Ų8641 Ų4146%0.4620%0.199SC..THydrogen-bonded Turntrans55.924.7-170.4-56.5-29.6000113F78 L79 K80 Y84F78-N82 PolarHBondContact O-N 2.89Å; L79-N82 PolarHBondContact O-N 3.3Å; K80-N82 VanDerWaalsContact C-N 3.31Å; N82-Y84 VanDerWaalsContact C-N 3.31Å; N82-Y84 HydrophobicContact CB-CE1 4.36Å; N82-Y84 HydrophobicContact CB-CE2 4.23Å; N82-Y84 WeakPolarHBondContact O-CD2 3.23Å; N82-Y84 PolarHBondContact O-N 3.13Å; N82-Y84 VanDerWaalsContact O-N 3.17Å
83D98Very high98.3Very high52 Ų5241.7 Ų41.728%0.27821%0.208SC..  trans-87.677171.7-173.1-17.7000108.9F78 L81 H85 N86 A87F78-D83 HydrophobicContact CB-CB 4.23Å; F78-D83 HydrophobicContact CD1-CB 3.93Å; F78-D83 PolarHBondContact O-N 3.48Å; L81-D83 PolarHBondContact O-N 3.19Å; D83-H85 PolarHBondContact O-N 3.25Å; D83-H85 PolarHBondContact OD1-N 2.87Å; D83-N86 PolarHBondContact OD1-N 2.95Å; D83-N86 PolarHBondContact OD2-ND2 3Å; D83-A87 WeakPolarHBondContact O-CB 3.42Å; D83-A87 PolarHBondContact O-N 3.34Å
84Y98.5Very high98.2Very high37 Ų3740 Ų4015%0.14520%0.201CC..Hα-helixtrans-63.7-26.4-177.3-51.9-58000112.6L79 N82 T88 I111 R114 D118L79-Y84 HydrophobicContact CD1-CD1 4.01Å; L79-Y84 HydrophobicContact CD1-CE1 3.93Å; N82-Y84 VanDerWaalsContact C-N 3.31Å; N82-Y84 HydrophobicContact CB-CE1 4.36Å; N82-Y84 HydrophobicContact CB-CE2 4.23Å; N82-Y84 WeakPolarHBondContact O-CD2 3.23Å; N82-Y84 PolarHBondContact O-N 3.13Å; N82-Y84 VanDerWaalsContact O-N 3.17Å; Y84-T88 VanDerWaalsContact O-CB 3.23Å; Y84-T88 WeakPolarHBondContact O-CB 3.48Å; Y84-T88 PolarHBondContact O-N 3.13Å; Y84-T88 PolarHBondContact O-OG1 3.01Å; Y84-I111 HydrophobicContact CD1-CG2 4.2Å; Y84-R114 HydrophobicContact CE1-CB 3.69Å; Y84-D118 HydrophobicContact CE2-CB 4.17Å; Y84-D118 VanDerWaalsContact CE2-OD2 3.23Å; Y84-D118 WeakPolarHBondContact CE2-OD2 3.31Å; Y84-D118 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D118 VanDerWaalsContact OH-CG 3.24Å; Y84-D118 PolarHBondContact OH-OD2 3.09Å
85H98.4Very high98.2Very high134 Ų13441.7 Ų41.762%0.6221%0.21SC*.Hα-helixtrans-67.6-56.7-179.9-179.871.6000110.6D83 A87 T88 I89D83-H85 PolarHBondContact O-N 3.25Å; D83-H85 PolarHBondContact OD1-N 2.87Å; H85-A87 PolarHBondContact O-N 3.3Å; H85-T88 PolarHBondContact O-N 3.45Å; H85-I89 WeakPolarHBondContact NE2-CD1 3.5Å; H85-I89 WeakPolarHBondContact O-CG1 3.33Å; H85-I89 PolarHBondContact O-N 3.34Å; H85-I89 VanDerWaalsContact O-N 3.07Å
86N98.6Very high98Very high49 Ų4947.2 Ų47.226%0.26224%0.243SC..Hα-helixtrans-65.1-40.8178.5-78.8-48.5000111.5F78 D83 T88 I89 Y90F78-N86 HydrophobicContact CB-CB 4.01Å; F78-N86 HydrophobicContact CD1-CB 3.51Å; F78-N86 HydrophobicContact CD2-CB 3.83Å; F78-N86 HydrophobicContact CE1-CB 3.85Å; F78-N86 HydrophobicContact CE2-CB 4.18Å; F78-N86 HydrophobicContact CG-CB 3.5Å; F78-N86 VanDerWaalsContact CG-CB 3.5Å; F78-N86 HydrophobicContact CZ-CB 4.18Å; D83-N86 PolarHBondContact OD1-N 2.95Å; D83-N86 PolarHBondContact OD2-ND2 3Å; N86-T88 VanDerWaalsContact C-N 3.3Å; N86-T88 PolarHBondContact O-N 3.35Å; N86-I89 PolarHBondContact O-N 3Å; N86-Y90 HydrophobicContact CB-CE2 4.33Å; N86-Y90 WeakPolarHBondContact O-CD2 3.15Å; N86-Y90 PolarHBondContact O-N 3.17Å; N86-Y90 VanDerWaalsContact O-N 3.12Å
87A98.8Very high97.8Very high0 Ų049.7 Ų49.70%026%0.255CS..Hα-helixtrans-56.9-44.3176.500000112.1A75 F78 L79 D83 H85 Y90 C91 I111A75-A87 WeakPolarHBondContact O-CB 3.2Å; F78-A87 HydrophobicContact CB-CB 3.92Å; L79-A87 HydrophobicContact CB-CB 4.18Å; D83-A87 WeakPolarHBondContact O-CB 3.42Å; D83-A87 PolarHBondContact O-N 3.34Å; H85-A87 PolarHBondContact O-N 3.3Å; A87-Y90 PolarHBondContact O-N 2.81Å; A87-C91 PolarHBondContact O-N 3.16Å; A87-C91 VanDerWaalsContact O-N 3.13Å; A87-I111 HydrophobicContact CB-CD1 3.65Å; A87-I111 HydrophobicContact CB-CG1 4.05Å; A87-I111 HydrophobicContact CB-CG2 4.48Å
88T98.8Very high97.6Very high35 Ų3552.7 Ų52.722%0.21527%0.269CS..Hα-helixtrans-63.2-44.2177-62.60000111.8Y84 H85 N86 Y90 C91 Q92 L108 I111Y84-T88 VanDerWaalsContact O-CB 3.23Å; Y84-T88 WeakPolarHBondContact O-CB 3.48Å; Y84-T88 PolarHBondContact O-N 3.13Å; Y84-T88 PolarHBondContact O-OG1 3.01Å; H85-T88 PolarHBondContact O-N 3.45Å; N86-T88 VanDerWaalsContact C-N 3.3Å; N86-T88 PolarHBondContact O-N 3.35Å; T88-Y90 VanDerWaalsContact C-N 3.35Å; T88-Y90 PolarHBondContact O-N 3.29Å; T88-C91 PolarHBondContact O-N 3.14Å; T88-Q92 HydrophobicContact CG2-CG 4.22Å; T88-Q92 WeakPolarHBondContact O-CB 3.41Å; T88-Q92 WeakPolarHBondContact O-CG 3.32Å; T88-Q92 PolarHBondContact O-N 3.25Å; T88-L108 HydrophobicContact CG2-CD1 4.01Å; T88-I111 WeakPolarHBondContact OG1-CG2 3.45Å
89I98.6Very high97.5Very high60 Ų6055.1 Ų55.131%0.30829%0.287SS..Hα-helixtrans-56.6-49178.9-72.4169.7000110.6H85 N86 C91 Q92 C93H85-I89 WeakPolarHBondContact NE2-CD1 3.5Å; H85-I89 WeakPolarHBondContact O-CG1 3.33Å; H85-I89 PolarHBondContact O-N 3.34Å; H85-I89 VanDerWaalsContact O-N 3.07Å; N86-I89 PolarHBondContact O-N 3Å; I89-C91 PolarHBondContact O-N 3.02Å; I89-Q92 PolarHBondContact O-N 3.34Å; I89-C93 PolarHBondContact O-N 3.42Å; I89-C93 PolarHBondContact O-SG 3.41Å; I89-C93 VanDerWaalsContact O-SG 3.36Å
90Y98.2Very high97.5Very high42 Ų4261.5 Ų61.517%0.16532%0.321CS..Hα-helixtrans-66.8-37.8-179-69-64000112.9L71 L74 F78 N86 A87 T88 Q92 C93 L94L71-Y90 HydrophobicContact CD2-CD1 3.58Å; L71-Y90 HydrophobicContact CD2-CE1 4.02Å; L74-Y90 HydrophobicContact CB-CD1 4.15Å; L74-Y90 HydrophobicContact CB-CD2 3.8Å; L74-Y90 HydrophobicContact CB-CE1 4.32Å; L74-Y90 HydrophobicContact CB-CE2 4.04Å; L74-Y90 HydrophobicContact CB-CG 3.89Å; L74-Y90 HydrophobicContact CD1-CD1 4.04Å; L74-Y90 HydrophobicContact CD1-CE1 3.57Å; L74-Y90 HydrophobicContact CD1-CE2 4.36Å; F78-Y90 AromaticContact CD2-CD2 3.72Å; F78-Y90 HydrophobicContact CD2-CD2 3.72Å; F78-Y90 AromaticContact CD2-CE2 3.47Å; F78-Y90 HydrophobicContact CD2-CE2 3.47Å; F78-Y90 VanDerWaalsContact CD2-CE2 3.47Å; F78-Y90 AromaticContact CE2-CD2 3.99Å; F78-Y90 HydrophobicContact CE2-CD2 3.99Å; F78-Y90 AromaticContact CE2-CE2 3.25Å; F78-Y90 HydrophobicContact CE2-CE2 3.25Å; F78-Y90 HydrophobicContact CZ-CE2 4.24Å; N86-Y90 HydrophobicContact CB-CE2 4.33Å; N86-Y90 WeakPolarHBondContact O-CD2 3.15Å; N86-Y90 PolarHBondContact O-N 3.17Å; N86-Y90 VanDerWaalsContact O-N 3.12Å; A87-Y90 PolarHBondContact O-N 2.81Å; T88-Y90 VanDerWaalsContact C-N 3.35Å; T88-Y90 PolarHBondContact O-N 3.29Å; Y90-Q92 VanDerWaalsContact C-N 3.35Å; Y90-C93 PolarHBondContact O-N 3.1Å; Y90-L94 WeakPolarHBondContact O-CB 3.49Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.27Å
91C98.5Very high97.4Very high0 Ų059.8 Ų59.80%032%0.315CS..Hα-helixtrans-61-42170.7-79.60000112.2A87 T88 I89 L94 L95 I104 L108A87-C91 PolarHBondContact O-N 3.16Å; A87-C91 VanDerWaalsContact O-N 3.13Å; T88-C91 PolarHBondContact O-N 3.14Å; I89-C91 PolarHBondContact O-N 3.02Å; C91-L94 WeakPolarHBondContact O-CB 3.32Å; C91-L94 PolarHBondContact O-N 3.17Å; C91-L95 WeakPolarHBondContact O-CG 3.41Å; C91-L95 PolarHBondContact O-N 3.12Å; C91-I104 HydrophobicContact CB-CG2 4.24Å; C91-L108 HydrophobicContact CB-CB 4.33Å; C91-L108 HydrophobicContact CB-CD1 4.13Å
92Q98.3Very high97.5Very high106 Ų10662.7 Ų62.750%0.49533%0.328SS..Hα-helixtrans-65.4-45.8177.6-73.9174.2-11.800111.4T88 I89 Y90 L94 L95 T96T88-Q92 HydrophobicContact CG2-CG 4.22Å; T88-Q92 WeakPolarHBondContact O-CB 3.41Å; T88-Q92 WeakPolarHBondContact O-CG 3.32Å; T88-Q92 PolarHBondContact O-N 3.25Å; I89-Q92 PolarHBondContact O-N 3.34Å; Y90-Q92 VanDerWaalsContact C-N 3.35Å; Q92-L94 VanDerWaalsContact C-N 3.26Å; Q92-L94 PolarHBondContact O-N 3.11Å; Q92-L95 PolarHBondContact O-N 2.86Å; Q92-L95 VanDerWaalsContact O-N 3.13Å; Q92-T96 WeakPolarHBondContact O-CG2 3.49Å; Q92-T96 PolarHBondContact O-N 2.79Å
93C96.1Very high97.5Very high52 Ų5265.4 Ų65.435%0.35133%0.332SS..Hα-helixtrans-54.7-44.6173.4-69.60000111.3I89 Y90 T96I89-C93 PolarHBondContact O-N 3.42Å; I89-C93 PolarHBondContact O-SG 3.41Å; I89-C93 VanDerWaalsContact O-SG 3.36Å; Y90-C93 PolarHBondContact O-N 3.1Å; C93-T96 PolarHBondContact O-N 3.21Å; C93-T96 PolarHBondContact O-OG1 2.92Å
94L96.7Very high97.5Very high2 Ų263 Ų631%0.0132%0.319CS..Hα-helixtrans-62.8-42.2176.5-82171.9000113.5T68 L71 Y72 Y90 C91 Q92 T96 I97 E98 I104T68-L94 HydrophobicContact CG2-CD2 4.21Å; T68-L94 WeakPolarHBondContact O-CD2 3.43Å; L71-L94 HydrophobicContact CB-CD1 4.12Å; L71-L94 HydrophobicContact CB-CD2 3.8Å; L71-L94 HydrophobicContact CB-CG 3.74Å; L71-L94 HydrophobicContact CD1-CD2 4.15Å; L71-L94 HydrophobicContact CD1-CG 4.4Å; Y72-L94 HydrophobicContact CD2-CD1 4.33Å; Y90-L94 WeakPolarHBondContact O-CB 3.49Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.27Å; C91-L94 WeakPolarHBondContact O-CB 3.32Å; C91-L94 PolarHBondContact O-N 3.17Å; Q92-L94 VanDerWaalsContact C-N 3.26Å; Q92-L94 PolarHBondContact O-N 3.11Å; L94-T96 PolarHBondContact O-N 3.06Å; L94-I97 PolarHBondContact O-N 3.28Å; L94-E98 PolarHBondContact O-N 3.07Å; L94-I104 HydrophobicContact CB-CD1 3.58Å; L94-I104 HydrophobicContact CB-CG1 4.32Å; L94-I104 HydrophobicContact CB-CG2 3.88Å; L94-I104 HydrophobicContact CD1-CD1 4.04Å; L94-I104 HydrophobicContact CD1-CG1 4.18Å; L94-I104 HydrophobicContact CD1-CG2 4.3Å; L94-I104 HydrophobicContact CD2-CD1 4.19Å; L94-I104 HydrophobicContact CG-CD1 4.17Å
95L97.7Very high97.5Very high35 Ų3564.5 Ų64.518%0.18333%0.326CS..Hα-helixtrans-68.2-19.6176.8-69.8171000112.9C91 Q92 I97 P99 I104 K105 L108C91-L95 WeakPolarHBondContact O-CG 3.41Å; C91-L95 PolarHBondContact O-N 3.12Å; Q92-L95 PolarHBondContact O-N 2.86Å; Q92-L95 VanDerWaalsContact O-N 3.13Å; L95-I97 VanDerWaalsContact C-N 3.28Å; L95-P99 WeakPolarHBondContact O-CA 3.49Å; L95-P99 WeakPolarHBondContact O-CG 3.25Å; L95-I104 HydrophobicContact CD1-CG2 4.33Å; L95-I104 HydrophobicContact CD2-CB 4.03Å; L95-I104 HydrophobicContact CD2-CG2 3.86Å; L95-I104 HydrophobicContact CG-CB 4.42Å; L95-I104 HydrophobicContact CG-CG2 3.69Å; L95-K105 HydrophobicContact CD2-CG 3.91Å; L95-L108 HydrophobicContact CD1-CD2 3.88Å
96T96.1Very high97.6Very high115 Ų11562 Ų6271%0.70632%0.318SS*.Hα-helixtrans-70.7-25.7168.169.10000112.8Q92 C93 L94Q92-T96 WeakPolarHBondContact O-CG2 3.49Å; Q92-T96 PolarHBondContact O-N 2.79Å; C93-T96 PolarHBondContact O-N 3.21Å; C93-T96 PolarHBondContact O-OG1 2.92Å; L94-T96 PolarHBondContact O-N 3.06Å
97I93.6Very high97.6Very high85 Ų8560.2 Ų60.244%0.43631%0.308SS..Hα-helixtrans-91.4-44.7-179.8-55.6168.8000110.5T68 L71 L94 L95T68-I97 HydrophobicContact CG2-CD1 4.03Å; T68-I97 HydrophobicContact CG2-CG2 4.04Å; L71-I97 HydrophobicContact CD1-CD1 4.13Å; L94-I97 PolarHBondContact O-N 3.28Å; L95-I97 VanDerWaalsContact C-N 3.28Å
98E94.6Very high97.6Very high62 Ų6261.2 Ų61.229%0.2931%0.313SS..  trans-129.375.5-177.8-57.3-178.417400110.3L94 D100 N101L94-E98 PolarHBondContact O-N 3.07Å; E98-D100 PolarHBondContact O-N 3.41Å; E98-D100 VanDerWaalsContact O-N 3.11Å; E98-N101 HydrophobicContact CB-CB 3.84Å; E98-N101 WeakPolarHBondContact O-CB 3.39Å; E98-N101 PolarHBondContact O-N 3.23Å; E98-N101 VanDerWaalsContact O-N 3.08Å; E98-N101 PolarHBondContact OE2-ND2 3.17Å
99P97.2Very high97.5Very high74 Ų7464.6 Ų64.648%0.48133%0.329SS..THydrogen-bonded Turntrans-59.6-26.4-173.6-23.432.1000114.6L95 K105L95-P99 WeakPolarHBondContact O-CA 3.49Å; L95-P99 WeakPolarHBondContact O-CG 3.25Å; P99-K105 WeakPolarHBondContact O-CE 3.5Å; P99-K105 PolarHBondContact O-NZ 3.32Å
100D97.4Very high97.6Very high141 Ų14165.5 Ų65.575%0.75433%0.332SS*.THydrogen-bonded Turntrans-975.7-177.4-63.3-41.5000113.6E98 Q102 K105E98-D100 PolarHBondContact O-N 3.41Å; E98-D100 VanDerWaalsContact O-N 3.11Å; D100-Q102 PolarHBondContact O-N 3.03Å; D100-K105 IonicContact OD1-NZ 2.77Å
101N97.4Very high97.6Very high44 Ų4463.6 Ų63.624%0.23533%0.325CS..  trans-72.7103.2-179.6-170.1-36.1000111.3E98 R103 I104 K105E98-N101 HydrophobicContact CB-CB 3.84Å; E98-N101 WeakPolarHBondContact O-CB 3.39Å; E98-N101 PolarHBondContact O-N 3.23Å; E98-N101 VanDerWaalsContact O-N 3.08Å; E98-N101 PolarHBondContact OE2-ND2 3.17Å; N101-R103 VanDerWaalsContact C-N 3.29Å; N101-R103 PolarHBondContact O-N 3.45Å; N101-R103 VanDerWaalsContact OD1-CB 3.23Å; N101-R103 WeakPolarHBondContact OD1-CB 3.26Å; N101-R103 PolarHBondContact OD1-N 3.41Å; N101-I104 HydrophobicContact CB-CB 4.35Å; N101-I104 HydrophobicContact CB-CD1 3.61Å; N101-I104 HydrophobicContact CB-CG1 4.05Å; N101-I104 PolarHBondContact O-N 2.7Å; N101-I104 VanDerWaalsContact O-N 3.14Å; N101-I104 PolarHBondContact OD1-N 3.48Å; N101-K105 PolarHBondContact O-N 3.2Å; N101-K105 VanDerWaalsContact O-N 3.16Å
102Q98.2Very high97.6Very high106 Ų10669.1 Ų69.150%0.49535%0.349SS..Hα-helixtrans-62.6-35.3-177.8-159.660.219.600112.9D100 I104 K105 D106D100-Q102 PolarHBondContact O-N 3.03Å; Q102-I104 PolarHBondContact O-N 2.93Å; Q102-K105 PolarHBondContact O-N 3.14Å; Q102-K105 VanDerWaalsContact O-N 3.13Å; Q102-D106 PolarHBondContact NE2-OD1 2.96Å; Q102-D106 WeakPolarHBondContact O-CB 3.49Å; Q102-D106 PolarHBondContact O-N 3.21Å
103R98.1Very high97.6Very high142 Ų14267 Ų6754%0.53635%0.346SS..Hα-helixtrans-59.2-36.7176.7-171.4-172.7177-173.20.4111.8Y72 N101 L107Y72-R103 HydrophobicContact CE2-CG 3.84Å; Y72-R103 VanDerWaalsContact CZ-CZ 3.44Å; Y72-R103 PolarHBondContact OH-NE 2.99Å; Y72-R103 PolarHBondContact OH-NH2 2.61Å; N101-R103 VanDerWaalsContact C-N 3.29Å; N101-R103 PolarHBondContact O-N 3.45Å; N101-R103 VanDerWaalsContact OD1-CB 3.23Å; N101-R103 WeakPolarHBondContact OD1-CB 3.26Å; N101-R103 PolarHBondContact OD1-N 3.41Å; R103-L107 PolarHBondContact O-N 3.43Å; R103-L107 VanDerWaalsContact O-N 3.17Å
104I98.5Very high97.7Very high3 Ų368.9 Ų68.92%0.01535%0.345CS..Hα-helixtrans-77-37.6179.1-58.3166.5000110.6Y72 C91 L94 L95 N101 Q102 L107 L108Y72-I104 HydrophobicContact CD2-CG1 4.31Å; C91-I104 HydrophobicContact CB-CG2 4.24Å; L94-I104 HydrophobicContact CB-CD1 3.58Å; L94-I104 HydrophobicContact CB-CG1 4.32Å; L94-I104 HydrophobicContact CB-CG2 3.88Å; L94-I104 HydrophobicContact CD1-CD1 4.04Å; L94-I104 HydrophobicContact CD1-CG1 4.18Å; L94-I104 HydrophobicContact CD1-CG2 4.3Å; L94-I104 HydrophobicContact CD2-CD1 4.19Å; L94-I104 HydrophobicContact CG-CD1 4.17Å; L95-I104 HydrophobicContact CD1-CG2 4.33Å; L95-I104 HydrophobicContact CD2-CB 4.03Å; L95-I104 HydrophobicContact CD2-CG2 3.86Å; L95-I104 HydrophobicContact CG-CB 4.42Å; L95-I104 HydrophobicContact CG-CG2 3.69Å; N101-I104 HydrophobicContact CB-CB 4.35Å; N101-I104 HydrophobicContact CB-CD1 3.61Å; N101-I104 HydrophobicContact CB-CG1 4.05Å; N101-I104 PolarHBondContact O-N 2.7Å; N101-I104 VanDerWaalsContact O-N 3.14Å; N101-I104 PolarHBondContact OD1-N 3.48Å; Q102-I104 PolarHBondContact O-N 2.93Å; I104-L107 PolarHBondContact O-N 2.97Å; I104-L108 WeakPolarHBondContact O-CB 3.41Å; I104-L108 PolarHBondContact O-N 3.45Å
105K98.8Very high97.7Very high68 Ų6870.3 Ų70.330%0.29636%0.355SS..Hα-helixtrans-62.2-43.8173.8-67.8176-177.3169.40111.5L95 P99 D100 N101 Q102 L108 L109L95-K105 HydrophobicContact CD2-CG 3.91Å; P99-K105 WeakPolarHBondContact O-CE 3.5Å; P99-K105 PolarHBondContact O-NZ 3.32Å; D100-K105 IonicContact OD1-NZ 2.77Å; N101-K105 PolarHBondContact O-N 3.2Å; N101-K105 VanDerWaalsContact O-N 3.16Å; Q102-K105 PolarHBondContact O-N 3.14Å; Q102-K105 VanDerWaalsContact O-N 3.13Å; K105-L108 WeakPolarHBondContact O-CB 3.48Å; K105-L108 PolarHBondContact O-N 3.41Å; K105-L109 WeakPolarHBondContact O-CG 3.35Å; K105-L109 PolarHBondContact O-N 3.23Å
106D98.8Very high97.7Very high82 Ų8275.5 Ų75.544%0.43937%0.374SS..Hα-helixtrans-64.5-42.9178.5-62.8-18.4000111Q102 L108 L109 E110Q102-D106 PolarHBondContact NE2-OD1 2.96Å; Q102-D106 WeakPolarHBondContact O-CB 3.49Å; Q102-D106 PolarHBondContact O-N 3.21Å; D106-L108 VanDerWaalsContact C-N 3.32Å; D106-L108 PolarHBondContact O-N 2.83Å; D106-L109 WeakPolarHBondContact O-CB 3.45Å; D106-L109 PolarHBondContact O-N 2.59Å; D106-E110 PolarHBondContact O-N 2.76Å
107L98.7Very high97.7Very high10 Ų1074.8 Ų74.85%0.05236%0.362CS..Hα-helixtrans-60.9-41.2173.3-177.460.7000111.8Y72 A75 V76 L79 R103 I104 L109 E110 I111Y72-L107 HydrophobicContact CD2-CD2 4.35Å; Y72-L107 HydrophobicContact CE2-CD2 3.94Å; A75-L107 HydrophobicContact CB-CD2 3.78Å; V76-L107 HydrophobicContact CG2-CD1 4.44Å; V76-L107 HydrophobicContact CG2-CD2 4.03Å; L79-L107 HydrophobicContact CD2-CD1 3.67Å; R103-L107 PolarHBondContact O-N 3.43Å; R103-L107 VanDerWaalsContact O-N 3.17Å; I104-L107 PolarHBondContact O-N 2.97Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.04Å; L107-E110 PolarHBondContact O-N 3.29Å; L107-I111 HydrophobicContact CG-CD1 4.22Å; L107-I111 WeakPolarHBondContact O-CD1 3.46Å; L107-I111 VanDerWaalsContact O-CG1 3.26Å; L107-I111 WeakPolarHBondContact O-CG1 3.23Å; L107-I111 PolarHBondContact O-N 3.17Å
108L98.7Very high97.8Very high22 Ų2272.9 Ų72.912%0.11535%0.353CS..Hα-helixtrans-65.5-35.6176.4-176.862.1000112.4T88 C91 L95 I104 K105 D106 K112T88-L108 HydrophobicContact CG2-CD1 4.01Å; C91-L108 HydrophobicContact CB-CB 4.33Å; C91-L108 HydrophobicContact CB-CD1 4.13Å; L95-L108 HydrophobicContact CD1-CD2 3.88Å; I104-L108 WeakPolarHBondContact O-CB 3.41Å; I104-L108 PolarHBondContact O-N 3.45Å; K105-L108 WeakPolarHBondContact O-CB 3.48Å; K105-L108 PolarHBondContact O-N 3.41Å; D106-L108 VanDerWaalsContact C-N 3.32Å; D106-L108 PolarHBondContact O-N 2.83Å; L108-K112 WeakPolarHBondContact O-CG 3.47Å; L108-K112 PolarHBondContact O-N 3.33Å; L108-K112 VanDerWaalsContact O-N 3.14Å
109L98.6Very high97.8Very high106 Ų10674.5 Ų74.556%0.55536%0.363SS*.Hα-helixtrans-66.2-42.6173.3-72.2171.4000111.3K105 D106 L107 I111 K112 S113K105-L109 WeakPolarHBondContact O-CG 3.35Å; K105-L109 PolarHBondContact O-N 3.23Å; D106-L109 WeakPolarHBondContact O-CB 3.45Å; D106-L109 PolarHBondContact O-N 2.59Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.04Å; L109-I111 PolarHBondContact O-N 3.36Å; L109-K112 PolarHBondContact O-N 3.34Å; L109-S113 PolarHBondContact O-N 2.95Å
110E98.7Very high97.6Very high79 Ų7975 Ų7537%0.36936%0.359SS..Hα-helixtrans-60.1-45.8175.6-176.6176.4-17200111.7L79 D106 L107 K112 S113 R114L79-E110 HydrophobicContact CD2-CG 4.17Å; D106-E110 PolarHBondContact O-N 2.76Å; L107-E110 PolarHBondContact O-N 3.29Å; E110-K112 VanDerWaalsContact C-N 3.29Å; E110-K112 PolarHBondContact O-N 3.39Å; E110-S113 PolarHBondContact O-N 2.65Å; E110-R114 WeakPolarHBondContact O-CG 3.29Å; E110-R114 PolarHBondContact O-N 3.25Å; E110-R114 IonicContact OE1-CZ 3.53Å; E110-R114 IonicContact OE1-NE 3.86Å; E110-R114 PolarHBondContact OE1-NE 3.27Å; E110-R114 IonicContact OE1-NH2 2.68Å; E110-R114 PolarHBondContact OE1-NH2 2.92Å
111I98.7Very high97.4Very high1 Ų172.9 Ų72.91%0.00535%0.347CS..Hα-helixtrans-55.9-46.2175.5-68161.7000110.5L79 Y84 A87 T88 L107 L109 S115L79-I111 HydrophobicContact CB-CG1 4.41Å; L79-I111 HydrophobicContact CD1-CB 4.41Å; L79-I111 HydrophobicContact CD1-CG1 3.79Å; L79-I111 HydrophobicContact CD2-CG1 3.96Å; L79-I111 HydrophobicContact CG-CG1 4.26Å; Y84-I111 HydrophobicContact CD1-CG2 4.2Å; A87-I111 HydrophobicContact CB-CD1 3.65Å; A87-I111 HydrophobicContact CB-CG1 4.05Å; A87-I111 HydrophobicContact CB-CG2 4.48Å; T88-I111 WeakPolarHBondContact OG1-CG2 3.45Å; L107-I111 HydrophobicContact CG-CD1 4.22Å; L107-I111 WeakPolarHBondContact O-CD1 3.46Å; L107-I111 VanDerWaalsContact O-CG1 3.26Å; L107-I111 WeakPolarHBondContact O-CG1 3.23Å; L107-I111 PolarHBondContact O-N 3.17Å; L109-I111 PolarHBondContact O-N 3.36Å; I111-S115 VanDerWaalsContact O-CB 3.29Å; I111-S115 WeakPolarHBondContact O-CB 3.46Å; I111-S115 PolarHBondContact O-N 3.37Å; I111-S115 PolarHBondContact O-OG 2.94Å
112K98.5Very high97.1Very high117 Ų11777.4 Ų77.451%0.50937%0.365SS..Hα-helixtrans-64-45.7179.1-72.9173.7-178.2179.60112.1L108 L109 E110 S115 Y116L108-K112 WeakPolarHBondContact O-CG 3.47Å; L108-K112 PolarHBondContact O-N 3.33Å; L108-K112 VanDerWaalsContact O-N 3.14Å; L109-K112 PolarHBondContact O-N 3.34Å; E110-K112 VanDerWaalsContact C-N 3.29Å; E110-K112 PolarHBondContact O-N 3.39Å; K112-S115 WeakPolarHBondContact CA-OG 3.47Å; K112-S115 PolarHBondContact O-N 3.22Å; K112-S115 PolarHBondContact O-OG 3.38Å; K112-Y116 WeakPolarHBondContact O-CB 3.5Å; K112-Y116 PolarHBondContact O-N 3.16Å
113S98.5Very high96.7Very high61 Ų6174.6 Ų74.643%0.42736%0.357SS..Hα-helixtrans-57.3-53178.3-162.70000111.1L109 E110 S115 Y116 E117L109-S113 PolarHBondContact O-N 2.95Å; E110-S113 PolarHBondContact O-N 2.65Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 3.49Å; S113-Y116 PolarHBondContact O-N 3.19Å; S113-E117 WeakPolarHBondContact O-CG 3.47Å; S113-E117 PolarHBondContact O-N 2.97Å; S113-E117 PolarHBondContact OG-OE1 3.41Å
114R98.3Very high96.3Very high91 Ų9170.1 Ų70.134%0.34335%0.35SS..Hα-helixtrans-62.7-40.3180-66.3-173.7-173.9-158.7-0.6112.4Y84 E110 Y116 E117 D118Y84-R114 HydrophobicContact CE1-CB 3.69Å; E110-R114 WeakPolarHBondContact O-CG 3.29Å; E110-R114 PolarHBondContact O-N 3.25Å; E110-R114 IonicContact OE1-CZ 3.53Å; E110-R114 IonicContact OE1-NE 3.86Å; E110-R114 PolarHBondContact OE1-NE 3.27Å; E110-R114 IonicContact OE1-NH2 2.68Å; E110-R114 PolarHBondContact OE1-NH2 2.92Å; R114-Y116 VanDerWaalsContact C-N 3.31Å; R114-Y116 PolarHBondContact O-N 3.07Å; R114-E117 PolarHBondContact O-N 2.97Å; R114-D118 WeakPolarHBondContact O-CB 3.48Å; R114-D118 PolarHBondContact O-N 2.98Å
115S97.9Very high95.8Very high32 Ų3275.5 Ų75.522%0.22438%0.378CS..Hα-helixtrans-62.3-39.3176.876.20000112.4I111 K112 S113 I119I111-S115 VanDerWaalsContact O-CB 3.29Å; I111-S115 WeakPolarHBondContact O-CB 3.46Å; I111-S115 PolarHBondContact O-N 3.37Å; I111-S115 PolarHBondContact O-OG 2.94Å; K112-S115 WeakPolarHBondContact CA-OG 3.47Å; K112-S115 PolarHBondContact O-N 3.22Å; K112-S115 PolarHBondContact O-OG 3.38Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 3.49Å; S115-I119 WeakPolarHBondContact O-CD1 3.4Å; S115-I119 VanDerWaalsContact O-CG1 3.26Å; S115-I119 WeakPolarHBondContact O-CG1 3.26Å; S115-I119 PolarHBondContact O-N 3.42Å
116Y97Very high95.3Very high145 Ų14576.3 Ų76.357%0.56939%0.389SS*.Hα-helixtrans-68.9-46.8178.2178.6-99000110.9K112 S113 R114 D118 I119 Q120K112-Y116 WeakPolarHBondContact O-CB 3.5Å; K112-Y116 PolarHBondContact O-N 3.16Å; S113-Y116 PolarHBondContact O-N 3.19Å; R114-Y116 VanDerWaalsContact C-N 3.31Å; R114-Y116 PolarHBondContact O-N 3.07Å; Y116-D118 VanDerWaalsContact C-N 3.33Å; Y116-D118 PolarHBondContact O-N 2.98Å; Y116-I119 PolarHBondContact O-N 3.02Å; Y116-I119 VanDerWaalsContact O-N 3.16Å; Y116-Q120 HydrophobicContact CD1-CG 4.11Å; Y116-Q120 HydrophobicContact CE1-CG 3.68Å; Y116-Q120 HydrophobicContact CE2-CG 4.26Å; Y116-Q120 WeakPolarHBondContact O-CG 3.26Å; Y116-Q120 PolarHBondContact O-N 3.41Å
117E95.9Very high94.6Very high99 Ų9979.4 Ų79.446%0.46340%0.398SS..Hα-helixtrans-56.2-45.8175.9-72.3166.5-145.600111.7S113 R114 I119 Q120 N121S113-E117 WeakPolarHBondContact O-CG 3.47Å; S113-E117 PolarHBondContact O-N 2.97Å; S113-E117 PolarHBondContact OG-OE1 3.41Å; R114-E117 PolarHBondContact O-N 2.97Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 2.99Å; E117-Q120 PolarHBondContact O-N 3.23Å; E117-N121 WeakPolarHBondContact O-CB 3.4Å; E117-N121 PolarHBondContact O-N 3.38Å; E117-N121 PolarHBondContact O-ND2 3.46Å
118D95Very high93.9Very high46 Ų4684.8 Ų84.825%0.24643%0.426CS..Hα-helixtrans-62-37.4177.2-90.34.1000113.2Y84 R114 Y116 K122Y84-D118 HydrophobicContact CE2-CB 4.17Å; Y84-D118 VanDerWaalsContact CE2-OD2 3.23Å; Y84-D118 WeakPolarHBondContact CE2-OD2 3.31Å; Y84-D118 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D118 VanDerWaalsContact OH-CG 3.24Å; Y84-D118 PolarHBondContact OH-OD2 3.09Å; R114-D118 WeakPolarHBondContact O-CB 3.48Å; R114-D118 PolarHBondContact O-N 2.98Å; Y116-D118 VanDerWaalsContact C-N 3.33Å; Y116-D118 PolarHBondContact O-N 2.98Å; D118-K122 WeakPolarHBondContact O-CB 3.4Å; D118-K122 VanDerWaalsContact O-CG 3.26Å; D118-K122 WeakPolarHBondContact O-CG 3.48Å; D118-K122 PolarHBondContact O-N 3.17Å
119I94.5Very high93Very high95 Ų9587.4 Ų87.449%0.48745%0.446SS..Hα-helixtrans-68-43.3176.3-69.7164.2000110.7S115 Y116 E117 K122 S123S115-I119 WeakPolarHBondContact O-CD1 3.4Å; S115-I119 VanDerWaalsContact O-CG1 3.26Å; S115-I119 WeakPolarHBondContact O-CG1 3.26Å; S115-I119 PolarHBondContact O-N 3.42Å; Y116-I119 PolarHBondContact O-N 3.02Å; Y116-I119 VanDerWaalsContact O-N 3.16Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 2.99Å; I119-K122 PolarHBondContact O-N 2.8Å; I119-S123 WeakPolarHBondContact O-CB 3.39Å; I119-S123 PolarHBondContact O-N 3.37Å; I119-S123 PolarHBondContact O-OG 3.24Å
120Q93.8Very high92.1Very high85 Ų8587.1 Ų87.140%0.39745%0.449SS..Hα-helixtrans-63.9-43.7177.7-65.1-51.2-45.600111.2Y116 E117 K122 S123 A124Y116-Q120 HydrophobicContact CD1-CG 4.11Å; Y116-Q120 HydrophobicContact CE1-CG 3.68Å; Y116-Q120 HydrophobicContact CE2-CG 4.26Å; Y116-Q120 WeakPolarHBondContact O-CG 3.26Å; Y116-Q120 PolarHBondContact O-N 3.41Å; E117-Q120 PolarHBondContact O-N 3.23Å; Q120-K122 PolarHBondContact O-N 2.97Å; Q120-S123 PolarHBondContact O-N 2.9Å; Q120-A124 WeakPolarHBondContact O-CB 3.4Å; Q120-A124 PolarHBondContact O-N 3.47Å
121N92.9Very high90.9Very high96 Ų9688.1 Ų88.151%0.51347%0.465SS..Hα-helixtrans-61.1-45.8177.9-70.6-23.8000111.7E117 S123 A124 I125E117-N121 WeakPolarHBondContact O-CB 3.4Å; E117-N121 PolarHBondContact O-N 3.38Å; E117-N121 PolarHBondContact O-ND2 3.46Å; N121-S123 PolarHBondContact O-N 3.21Å; N121-A124 PolarHBondContact O-N 2.88Å; N121-I125 WeakPolarHBondContact O-CD1 3.41Å; N121-I125 VanDerWaalsContact O-CG1 3.29Å; N121-I125 WeakPolarHBondContact O-CG1 3.45Å; N121-I125 PolarHBondContact O-N 3.49Å; N121-I125 VanDerWaalsContact O-N 3.1Å
122K91Very high89.1Confident139 Ų13997.8 Ų97.860%0.60452%0.516SS*.Hα-helixtrans-62.1-42.1175.3-72.6170.8-175.3173.70112D118 I119 Q120 I125 V126D118-K122 WeakPolarHBondContact O-CB 3.4Å; D118-K122 VanDerWaalsContact O-CG 3.26Å; D118-K122 WeakPolarHBondContact O-CG 3.48Å; D118-K122 PolarHBondContact O-N 3.17Å; I119-K122 PolarHBondContact O-N 2.8Å; Q120-K122 PolarHBondContact O-N 2.97Å; K122-I125 PolarHBondContact O-N 3.1Å; K122-V126 WeakPolarHBondContact O-CG2 3.47Å; K122-V126 PolarHBondContact O-N 3.31Å; K122-V126 VanDerWaalsContact O-N 3.12Å
123S90Very high88.6Confident48 Ų4896.8 Ų96.834%0.33652%0.517SS..Hα-helixtrans-65.7-38.1178.9-58.10000112.4I119 Q120 N121 V126 K127I119-S123 WeakPolarHBondContact O-CB 3.39Å; I119-S123 PolarHBondContact O-N 3.37Å; I119-S123 PolarHBondContact O-OG 3.24Å; Q120-S123 PolarHBondContact O-N 2.9Å; N121-S123 PolarHBondContact O-N 3.21Å; S123-V126 PolarHBondContact O-N 3.06Å; S123-K127 WeakPolarHBondContact O-CG 3.29Å; S123-K127 PolarHBondContact O-N 3.44Å; S123-K127 VanDerWaalsContact O-N 3.15Å
124A89.7Confident88.1Confident48 Ų4898.7 Ų98.740%0.39752%0.521SS..Hα-helixtrans-65.3-42.7175.900000111.8Q120 N121 V126 K127 L128Q120-A124 WeakPolarHBondContact O-CB 3.4Å; Q120-A124 PolarHBondContact O-N 3.47Å; N121-A124 PolarHBondContact O-N 2.88Å; A124-V126 VanDerWaalsContact C-N 3.33Å; A124-V126 PolarHBondContact O-N 3.08Å; A124-K127 PolarHBondContact O-N 3.11Å; A124-L128 WeakPolarHBondContact O-CG 3.4Å; A124-L128 PolarHBondContact O-N 3.33Å; A124-L128 VanDerWaalsContact O-N 3.09Å
125I88.3Confident87.5Confident115 Ų11599.1 Ų99.159%0.5953%0.531SS*.Hα-helixtrans-60.2-43.5176.2-67.5164.1000110.9N121 K122 L128 S129N121-I125 WeakPolarHBondContact O-CD1 3.41Å; N121-I125 VanDerWaalsContact O-CG1 3.29Å; N121-I125 WeakPolarHBondContact O-CG1 3.45Å; N121-I125 PolarHBondContact O-N 3.49Å; N121-I125 VanDerWaalsContact O-N 3.1Å; K122-I125 PolarHBondContact O-N 3.1Å; I125-L128 PolarHBondContact O-N 3.04Å; I125-S129 PolarHBondContact O-N 3.33Å; I125-S129 PolarHBondContact O-OG 3.09Å
126V87.5Confident86.9Confident86 Ų86103.1 Ų103.152%0.52155%0.549SS..Hα-helixtrans-61.2-46.8177.5172.80000111.3K122 S123 A124 L128 S129 T130K122-V126 WeakPolarHBondContact O-CG2 3.47Å; K122-V126 PolarHBondContact O-N 3.31Å; K122-V126 VanDerWaalsContact O-N 3.12Å; S123-V126 PolarHBondContact O-N 3.06Å; A124-V126 VanDerWaalsContact C-N 3.33Å; A124-V126 PolarHBondContact O-N 3.08Å; V126-L128 VanDerWaalsContact C-N 3.29Å; V126-L128 PolarHBondContact O-N 3.49Å; V126-S129 WeakPolarHBondContact CA-OG 3.37Å; V126-S129 PolarHBondContact O-N 2.7Å; V126-S129 VanDerWaalsContact O-N 3.11Å; V126-S129 PolarHBondContact O-OG 3.44Å; V126-T130 PolarHBondContact O-N 3.45Å; V126-T130 VanDerWaalsContact O-N 3.08Å; V126-T130 PolarHBondContact O-OG1 3.3Å
127K85.4Confident86.3Confident146 Ų146100.4 Ų100.464%0.63555%0.548SS*.Hα-helixtrans-61.6-35178.9-71175-177.4179.70113.5S123 A124 T130 S131S123-K127 WeakPolarHBondContact O-CG 3.29Å; S123-K127 PolarHBondContact O-N 3.44Å; S123-K127 VanDerWaalsContact O-N 3.15Å; A124-K127 PolarHBondContact O-N 3.11Å; K127-T130 PolarHBondContact O-OG1 3.15Å; K127-T130 VanDerWaalsContact O-OG1 3.06Å; K127-S131 PolarHBondContact O-N 2.85Å; K127-S131 PolarHBondContact O-OG 3.49Å
128L82.3Confident85.7Confident124 Ų124100.5 Ų100.565%0.64955%0.554SS**Hα-helixtrans-69.9-38.2175.4-69.5168.6000111.1A124 I125 V126 T130 S131A124-L128 WeakPolarHBondContact O-CG 3.4Å; A124-L128 PolarHBondContact O-N 3.33Å; A124-L128 VanDerWaalsContact O-N 3.09Å; I125-L128 PolarHBondContact O-N 3.04Å; V126-L128 VanDerWaalsContact C-N 3.29Å; V126-L128 PolarHBondContact O-N 3.49Å; L128-T130 PolarHBondContact O-N 3.12Å; L128-S131 PolarHBondContact O-N 3.45Å
129S79.8Confident85Confident76 Ų76104.4 Ų104.453%0.53158%0.576SS.*Hα-helixtrans-71.4-25.4178.165.60000114.5I125 V126I125-S129 PolarHBondContact O-N 3.33Å; I125-S129 PolarHBondContact O-OG 3.09Å; V126-S129 WeakPolarHBondContact CA-OG 3.37Å; V126-S129 PolarHBondContact O-N 2.7Å; V126-S129 VanDerWaalsContact O-N 3.11Å; V126-S129 PolarHBondContact O-OG 3.44Å
130T81Confident84.3Confident101 Ų101105.2 Ų105.262%0.6258%0.583SS**THydrogen-bonded Turntrans-87.4-11.8178.253.70000114V126 K127 L128V126-T130 PolarHBondContact O-N 3.45Å; V126-T130 VanDerWaalsContact O-N 3.08Å; V126-T130 PolarHBondContact O-OG1 3.3Å; K127-T130 PolarHBondContact O-OG1 3.15Å; K127-T130 VanDerWaalsContact O-OG1 3.06Å; L128-T130 PolarHBondContact O-N 3.12Å
131S73.2Confident83.5Confident99 Ų99106.8 Ų106.869%0.69260%0.598SS**  trans-90.7-5-179.9-570000113.3K127 L128K127-S131 PolarHBondContact O-N 2.85Å; K127-S131 PolarHBondContact O-OG 3.49Å; L128-S131 PolarHBondContact O-N 3.45Å
132N60.5Low82.6Confident204 Ų204107.8 Ų107.8100%1.09161%0.606SS**  trans-1020174.8-75.7-10.8000110.5

Retrieved 132 of 132 residues in 31.2 ms (Link to these results)

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