A0A077Z9Y8_TRITR Loading...

B12D domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9Y8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M50.8Low55.6Low215 Ų215168.6 Ų168.6100%1.05979%0.787SS**  0-37.10-127.9176.8-86.300114.5S3 M4M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.49Å; M1-M4 PolarHBondContact O-N 3.1Å
2K52.4Low55.1Low193 Ų193165.5 Ų165.584%0.83979%0.792SS**Hα-helixtrans-65.5-20.2179-73.5-175.9180-1770116.5
3S59.7Low54.6Low89 Ų89160.2 Ų160.262%0.62279%0.792SS**Hα-helixtrans-81.7-22.1179.553.90000114M1M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.49Å
4M58.7Low54Low157 Ų157160.6 Ų160.677%0.77379%0.794SS**Hα-helixtrans-78.9-33.4179.4-160.6175.2-82.400111.1M1 R6M1-M4 PolarHBondContact O-N 3.1Å; M4-R6 VanDerWaalsContact C-N 3.33Å; M4-R6 PolarHBondContact O-N 3.33Å
5F58.4Low54.2Low161 Ų161158 Ų15871%0.70679%0.791SS**Hα-helixtrans-71-26179.6-146.8-98.8000113.6R7F5-R7 VanDerWaalsContact C-N 3.31Å; F5-R7 PolarHBondContact O-N 2.89Å
6R57.1Low54.5Low207 Ų207155.3 Ų155.378%0.78178%0.78SS**THydrogen-bonded Turntrans-76-17.5-177.6-148.1180-73.6-126.93.4113.4M4M4-R6 VanDerWaalsContact C-N 3.33Å; M4-R6 PolarHBondContact O-N 3.33Å
7R56.1Low55Low214 Ų214153.2 Ų153.281%0.80878%0.777SS**THydrogen-bonded Turntrans-84.7-15.6178.2-88.4-170.9-100.9-158.1-4.3114.4F5F5-R7 VanDerWaalsContact C-N 3.31Å; F5-R7 PolarHBondContact O-N 2.89Å
8L54.9Low55.3Low155 Ų155147 Ų14781%0.81276%0.757SS**SBendtrans-84.4-15.3-178.4-136.787.9000113.8
9I58.8Low55.6Low132 Ų132144.5 Ų144.568%0.67774%0.742SS**SBendtrans-91.1-8-174.1-65.3170.6000112.7
10S51Low56.1Low101 Ų101145.2 Ų145.271%0.70674%0.735SS**  trans-104.670.4176-69.70000112
11R54.1Low56.6Low231 Ų231145.5 Ų145.587%0.87273%0.731SS**SBendtrans-128.3121.7148-78.5-163.3173.8-134.2-0109.2A13R11-A13 PolarHBondContact O-N 3.4Å
12P49.2Very low57.3Low131 Ų131140.6 Ų140.685%0.85171%0.709SS**  trans-68.5117.9-169.527.1-33.3000110.7M14P12-M14 PolarHBondContact O-N 2.96Å
13A49.2Very low58.2Low96 Ų96139.4 Ų139.479%0.79370%0.699SS**  trans-79.990.6167.100000108.3R11R11-A13 PolarHBondContact O-N 3.4Å
14M45.3Very low58.7Low166 Ų166140.9 Ų140.982%0.81869%0.694SS**  trans-163.1125.3163.3-115.5176.3-147.700113.1P12P12-M14 PolarHBondContact O-N 2.96Å
15T57.8Low59.2Low122 Ų122139.2 Ų139.275%0.74869%0.685SS**SBendtrans104.4-6.5143.572.20000123.2V17T15-V17 PolarHBondContact O-N 3.5Å
16N58.1Low59.8Low115 Ų115138.1 Ų138.162%0.61568%0.68SS**Hα-helixtrans-82.2-8.4-175-139-20.2000116.2
17V63.3Low60.3Low120 Ų120131 Ų13173%0.72767%0.665SS**Hα-helixtrans-77.3-33.9-180-1690000111.9T15 F21T15-V17 PolarHBondContact O-N 3.5Å; V17-F21 PolarHBondContact O-N 3.36Å
18G61.5Low61Low41 Ų41128 Ų12842%0.42366%0.658SS.*Hα-helixtrans-68.7-37.2-177.800000113.8F21 L22G18-F21 PolarHBondContact O-N 3.44Å; G18-L22 PolarHBondContact O-N 3.49Å
19H61.2Low61.5Low100 Ų100123.9 Ų123.946%0.46364%0.639SS.*Hα-helixtrans-69.3-34.8-179.4-175.9-114.4000112.5R23H19-R23 VanDerWaalsContact CE1-CD 3.5Å; H19-R23 WeakPolarHBondContact CE1-CD 3.07Å; H19-R23 PolarHBondContact CE1-NE 3.01Å; H19-R23 VanDerWaalsContact CE1-NE 3.33Å; H19-R23 WeakPolarHBondContact O-CB 3.08Å; H19-R23 WeakPolarHBondContact O-CG 3.29Å; H19-R23 PolarHBondContact O-N 3.18Å
20W64.4Low62Low158 Ų158122.9 Ų122.960%0.59864%0.635SS**Hα-helixtrans-66.8-40.8172.7-86.990.9000112R23 F24W20-R23 PolarHBondContact O-N 3.19Å; W20-F24 AromaticContact CE3-CD2 3.94Å; W20-F24 HydrophobicContact CE3-CD2 3.94Å; W20-F24 AromaticContact CE3-CE2 3.45Å; W20-F24 HydrophobicContact CE3-CE2 3.45Å; W20-F24 VanDerWaalsContact CE3-CE2 3.45Å; W20-F24 HydrophobicContact CE3-CZ 4.42Å; W20-F24 AromaticContact CZ3-CE2 3.73Å; W20-F24 HydrophobicContact CZ3-CE2 3.73Å; W20-F24 HydrophobicContact CZ3-CZ 4.28Å; W20-F24 WeakPolarHBondContact O-CB 3.43Å; W20-F24 WeakPolarHBondContact O-CD2 3.43Å; W20-F24 PolarHBondContact O-N 3.12Å
21F66Low62.6Low151 Ų151124 Ų12466%0.66263%0.632SS**Hα-helixtrans-63.8-45.4177.9-126.9-91.9000112.2V17 G18 F24 H25V17-F21 PolarHBondContact O-N 3.36Å; G18-F21 PolarHBondContact O-N 3.44Å; F21-F24 PolarHBondContact O-N 3.43Å; F21-H25 PolarHBondContact O-N 3.01Å
22L66.6Low63.1Low112 Ų112116.1 Ų116.159%0.58661%0.612SS**Hα-helixtrans-64.2-42.9176.9-83.2152.3000112.1G18 H25 F26G18-L22 PolarHBondContact O-N 3.49Å; L22-H25 PolarHBondContact O-N 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.49Å; L22-F26 PolarHBondContact O-N 3.42Å
23R71.1Confident63.9Low168 Ų168116.5 Ų116.563%0.63460%0.604SS**Hα-helixtrans-64-40.9175.9-82.8-175.7151.8-164-7112.6H19 W20 F26 A27H19-R23 VanDerWaalsContact CE1-CD 3.5Å; H19-R23 WeakPolarHBondContact CE1-CD 3.07Å; H19-R23 PolarHBondContact CE1-NE 3.01Å; H19-R23 VanDerWaalsContact CE1-NE 3.33Å; H19-R23 WeakPolarHBondContact O-CB 3.08Å; H19-R23 WeakPolarHBondContact O-CG 3.29Å; H19-R23 PolarHBondContact O-N 3.18Å; W20-R23 PolarHBondContact O-N 3.19Å; R23-F26 PolarHBondContact O-N 3.4Å; R23-A27 WeakPolarHBondContact O-CB 3.09Å; R23-A27 PolarHBondContact O-N 2.98Å
24F70.9Confident64.6Low120 Ų120121.9 Ų121.953%0.52660%0.604SS.*Hα-helixtrans-65-40.8175.9-95.4-68.5000112.1W20 F21 K28W20-F24 AromaticContact CE3-CD2 3.94Å; W20-F24 HydrophobicContact CE3-CD2 3.94Å; W20-F24 AromaticContact CE3-CE2 3.45Å; W20-F24 HydrophobicContact CE3-CE2 3.45Å; W20-F24 VanDerWaalsContact CE3-CE2 3.45Å; W20-F24 HydrophobicContact CE3-CZ 4.42Å; W20-F24 AromaticContact CZ3-CE2 3.73Å; W20-F24 HydrophobicContact CZ3-CE2 3.73Å; W20-F24 HydrophobicContact CZ3-CZ 4.28Å; W20-F24 WeakPolarHBondContact O-CB 3.43Å; W20-F24 WeakPolarHBondContact O-CD2 3.43Å; W20-F24 PolarHBondContact O-N 3.12Å; F21-F24 PolarHBondContact O-N 3.43Å; F24-K28 WeakPolarHBondContact O-CG 3.24Å; F24-K28 PolarHBondContact O-N 3.33Å; F24-K28 VanDerWaalsContact O-N 3.13Å
25H69.3Low65.7Low123 Ų123117.9 Ų117.957%0.56959%0.589SS**Hα-helixtrans-67.7-43.1177.1-127.7-84.9000111.9F21 L22 K28 T29F21-H25 PolarHBondContact O-N 3.01Å; L22-H25 PolarHBondContact O-N 3.29Å; H25-K28 PolarHBondContact O-N 3.47Å; H25-T29 PolarHBondContact O-N 3.3Å; H25-T29 PolarHBondContact O-OG1 3.12Å; H25-T29 VanDerWaalsContact O-OG1 3.11Å
26F69.1Low66.1Low137 Ų137116.3 Ų116.360%0.60158%0.575SS**Hα-helixtrans-66.2-40177.2-109.8-89.6000113L22 R23 K28 T29 L30L22-F26 WeakPolarHBondContact O-CB 3.49Å; L22-F26 PolarHBondContact O-N 3.42Å; R23-F26 PolarHBondContact O-N 3.4Å; F26-K28 VanDerWaalsContact C-N 3.31Å; F26-K28 PolarHBondContact O-N 3.01Å; F26-T29 WeakPolarHBondContact CA-OG1 3.48Å; F26-T29 PolarHBondContact O-N 3.01Å; F26-T29 PolarHBondContact O-OG1 3.33Å; F26-L30 HydrophobicContact CD1-CD1 4.46Å; F26-L30 WeakPolarHBondContact O-CB 3.49Å; F26-L30 PolarHBondContact O-N 3.41Å
27A68.8Low66.7Low58 Ų58120.3 Ų120.348%0.47958%0.581SS.*Hα-helixtrans-63.3-40.6176.300000111R23 L31R23-A27 WeakPolarHBondContact O-CB 3.09Å; R23-A27 PolarHBondContact O-N 2.98Å; A27-L31 WeakPolarHBondContact O-CB 3.43Å; A27-L31 PolarHBondContact O-N 2.95Å
28K69.8Low67Low152 Ų152121.9 Ų121.966%0.66158%0.579SS**Hα-helixtrans-65.9-41.6175.7-77.6-179.3175.3176.40112.7F24 H25 F26 C32F24-K28 WeakPolarHBondContact O-CG 3.24Å; F24-K28 PolarHBondContact O-N 3.33Å; F24-K28 VanDerWaalsContact O-N 3.13Å; H25-K28 PolarHBondContact O-N 3.47Å; F26-K28 VanDerWaalsContact C-N 3.31Å; F26-K28 PolarHBondContact O-N 3.01Å; K28-C32 VanDerWaalsContact O-CB 3.31Å; K28-C32 WeakPolarHBondContact O-CB 3.39Å; K28-C32 PolarHBondContact O-N 2.97Å
29T67.1Low67.1Low67 Ų67124.3 Ų124.341%0.41158%0.58SS.*Hα-helixtrans-68.4-39.4178.444.60000112.5H25 F26 C32 M33H25-T29 PolarHBondContact O-N 3.3Å; H25-T29 PolarHBondContact O-OG1 3.12Å; H25-T29 VanDerWaalsContact O-OG1 3.11Å; F26-T29 WeakPolarHBondContact CA-OG1 3.48Å; F26-T29 PolarHBondContact O-N 3.01Å; F26-T29 PolarHBondContact O-OG1 3.33Å; T29-C32 PolarHBondContact O-N 2.71Å; T29-M33 PolarHBondContact O-N 2.9Å
30L68.1Low67.2Low111 Ų111129.6 Ų129.658%0.58160%0.596SS**Hα-helixtrans-67.6-40.6176.1-79166000112.6F26 C32 M33 R34F26-L30 HydrophobicContact CD1-CD1 4.46Å; F26-L30 WeakPolarHBondContact O-CB 3.49Å; F26-L30 PolarHBondContact O-N 3.41Å; L30-C32 VanDerWaalsContact C-N 3.31Å; L30-C32 PolarHBondContact O-N 3.02Å; L30-M33 PolarHBondContact O-N 3.28Å; L30-R34 PolarHBondContact O-N 2.94Å; L30-R34 VanDerWaalsContact O-N 3.13Å
31L64.4Low67.5Low125 Ų125128 Ų12865%0.65460%0.604SS**Hα-helixtrans-63-41175.6-153.291.2000110.8A27 R34 T35A27-L31 WeakPolarHBondContact O-CB 3.43Å; A27-L31 PolarHBondContact O-N 2.95Å; L31-R34 PolarHBondContact O-N 3.37Å; L31-T35 WeakPolarHBondContact O-CG2 3.46Å; L31-T35 PolarHBondContact O-N 2.87Å; L31-T35 VanDerWaalsContact O-N 3.09Å; L31-T35 PolarHBondContact O-OG1 2.98Å
32C64.2Low67.6Low65 Ų65123.7 Ų123.744%0.43959%0.592SS.*Hα-helixtrans-62.7-46.4176.6-175.20000112.3K28 T29 L30 R34 T35 L36K28-C32 VanDerWaalsContact O-CB 3.31Å; K28-C32 WeakPolarHBondContact O-CB 3.39Å; K28-C32 PolarHBondContact O-N 2.97Å; T29-C32 PolarHBondContact O-N 2.71Å; L30-C32 VanDerWaalsContact C-N 3.31Å; L30-C32 PolarHBondContact O-N 3.02Å; C32-R34 VanDerWaalsContact C-N 3.28Å; C32-R34 PolarHBondContact O-N 3.28Å; C32-T35 PolarHBondContact O-N 3.46Å; C32-T35 PolarHBondContact O-OG1 3.31Å; C32-L36 WeakPolarHBondContact O-CB 3.38Å; C32-L36 VanDerWaalsContact O-CG 3.23Å; C32-L36 WeakPolarHBondContact O-CG 3.4Å; C32-L36 PolarHBondContact O-N 3.48Å
33M66.3Low67.6Low139 Ų139120.6 Ų120.669%0.68558%0.576SS**Hα-helixtrans-63-35.6178-74.1-169.3175.900112.6T29 L30 R37T29-M33 PolarHBondContact O-N 2.9Å; L30-M33 PolarHBondContact O-N 3.28Å; M33-R37 PolarHBondContact O-N 3.26Å
34R64.4Low67.6Low210 Ų210122.3 Ų122.379%0.79258%0.582SS**Hα-helixtrans-72.1-38.1-179.8-173.4169.1158.8-180-7112.5L30 L31 C32L30-R34 PolarHBondContact O-N 2.94Å; L30-R34 VanDerWaalsContact O-N 3.13Å; L31-R34 PolarHBondContact O-N 3.37Å; C32-R34 VanDerWaalsContact C-N 3.28Å; C32-R34 PolarHBondContact O-N 3.28Å
35T68Low67.6Low82 Ų82124.6 Ų124.650%0.50359%0.594SS.*Hα-helixtrans-70.5-38.5175.354.40000112L31 C32 R37 F38 M39L31-T35 WeakPolarHBondContact O-CG2 3.46Å; L31-T35 PolarHBondContact O-N 2.87Å; L31-T35 VanDerWaalsContact O-N 3.09Å; L31-T35 PolarHBondContact O-OG1 2.98Å; C32-T35 PolarHBondContact O-N 3.46Å; C32-T35 PolarHBondContact O-OG1 3.31Å; T35-R37 VanDerWaalsContact C-N 3.31Å; T35-R37 PolarHBondContact O-N 3.15Å; T35-F38 PolarHBondContact O-N 3.16Å; T35-M39 WeakPolarHBondContact O-CB 3.44Å; T35-M39 PolarHBondContact O-N 3.08Å
36L65.7Low68.1Low89 Ų89128.7 Ų128.747%0.46661%0.605SS.*Hα-helixtrans-61.2-37.1177.8-72172.9000112.9C32 M39 R40C32-L36 WeakPolarHBondContact O-CB 3.38Å; C32-L36 VanDerWaalsContact O-CG 3.23Å; C32-L36 WeakPolarHBondContact O-CG 3.4Å; C32-L36 PolarHBondContact O-N 3.48Å; L36-M39 PolarHBondContact O-N 3.36Å; L36-R40 WeakPolarHBondContact O-CB 3.36Å; L36-R40 PolarHBondContact O-N 3.48Å
37R70.4Confident68.8Low198 Ų198127.4 Ų127.475%0.74760%0.604SS**Hα-helixtrans-66-41.6176.4-172.6-177.1-77.2-180-4111.8M33 T35 V41M33-R37 PolarHBondContact O-N 3.26Å; T35-R37 VanDerWaalsContact C-N 3.31Å; T35-R37 PolarHBondContact O-N 3.15Å; R37-V41 WeakPolarHBondContact O-CG2 3.34Å; R37-V41 PolarHBondContact O-N 3.06Å
38F69.2Low69.4Low154 Ų154128.5 Ų128.568%0.67560%0.602SS**Hα-helixtrans-65.9-43.2176.6-178.6-98000111.4T35 R40 V41 S42T35-F38 PolarHBondContact O-N 3.16Å; F38-R40 VanDerWaalsContact C-N 3.32Å; F38-R40 PolarHBondContact O-N 3.41Å; F38-V41 PolarHBondContact O-N 3.18Å; F38-S42 WeakPolarHBondContact CE1-OG 3.47Å; F38-S42 WeakPolarHBondContact O-CB 3.34Å; F38-S42 PolarHBondContact O-N 3.42Å; F38-S42 PolarHBondContact O-OG 2.97Å
39M63.3Low70.2Confident91 Ų91129.4 Ų129.445%0.44860%0.601SS.*Hα-helixtrans-60.3-42.1179.2-150.4168.9-167.300111.3T35 L36 V41 I43T35-M39 WeakPolarHBondContact O-CB 3.44Å; T35-M39 PolarHBondContact O-N 3.08Å; L36-M39 PolarHBondContact O-N 3.36Å; M39-V41 PolarHBondContact O-N 3.37Å; M39-I43 HydrophobicContact CB-CD1 4.21Å; M39-I43 HydrophobicContact CE-CD1 3.9Å; M39-I43 HydrophobicContact CG-CD1 3.21Å; M39-I43 WeakPolarHBondContact O-CB 3.34Å; M39-I43 WeakPolarHBondContact O-CD1 3.35Å; M39-I43 PolarHBondContact O-N 3.25Å; M39-I43 HydrophobicContact SD-CD1 4.44Å
40R64.7Low71.2Confident212 Ų212129.8 Ų129.880%0.860%0.604SS**Hα-helixtrans-67.6-31.8-179.8-165.5-177.1-60.7175.3-0.2114.3L36 F38L36-R40 WeakPolarHBondContact O-CB 3.36Å; L36-R40 PolarHBondContact O-N 3.48Å; F38-R40 VanDerWaalsContact C-N 3.32Å; F38-R40 PolarHBondContact O-N 3.41Å
41V70.4Confident72.1Confident125 Ų125129.5 Ų129.576%0.75860%0.602SS**Hα-helixtrans-95-29.1-174.5179.50000112.4R37 F38 M39R37-V41 WeakPolarHBondContact O-CG2 3.34Å; R37-V41 PolarHBondContact O-N 3.06Å; F38-V41 PolarHBondContact O-N 3.18Å; M39-V41 PolarHBondContact O-N 3.37Å
42S68.6Low73.3Confident59 Ų59127 Ų12741%0.41359%0.591SS.*Hα-helixtrans-92.9-24.1-173.961.40000114.8F38F38-S42 WeakPolarHBondContact CE1-OG 3.47Å; F38-S42 WeakPolarHBondContact O-CB 3.34Å; F38-S42 PolarHBondContact O-N 3.42Å; F38-S42 PolarHBondContact O-OG 2.97Å
43I65.7Low74.7Confident48 Ų48126 Ų12625%0.24659%0.592CS.*  trans-89.5117.8-172.6-69.4163000110.5M39 D47 L48M39-I43 HydrophobicContact CB-CD1 4.21Å; M39-I43 HydrophobicContact CE-CD1 3.9Å; M39-I43 HydrophobicContact CG-CD1 3.21Å; M39-I43 WeakPolarHBondContact O-CB 3.34Å; M39-I43 WeakPolarHBondContact O-CD1 3.35Å; M39-I43 PolarHBondContact O-N 3.25Å; M39-I43 HydrophobicContact SD-CD1 4.44Å; I43-D47 HydrophobicContact CG2-CB 4.17Å; I43-L48 HydrophobicContact CG2-CB 4.48Å; I43-L48 HydrophobicContact CG2-CD1 4.12Å
44R70.7Confident75.9Confident204 Ų204124.8 Ų124.877%0.7759%0.587SS**  trans-65.3134.4168.6-63.3172.170.9177.80.9107.8W46 D47R44-W46 PolarHBondContact O-N 3.36Å; R44-D47 PolarHBondContact O-N 3.05Å
45H70.7Confident77.3Confident168 Ų168120.7 Ų120.778%0.77858%0.579SS**G310 helixtrans-45.3-31.2-175.7-65.484.9000115.1L48H45-L48 PolarHBondContact O-N 3.34Å
46W79.8Confident78.6Confident209 Ų209119.5 Ų119.579%0.79258%0.577SS**G310 helixtrans-70.3-26.5179.2-63.998.1000114.8R44 L48R44-W46 PolarHBondContact O-N 3.36Å; W46-L48 VanDerWaalsContact C-N 3.29Å
47D84.7Confident80Confident109 Ų109117.4 Ų117.458%0.58358%0.577SS**G310 helixtrans-85.2-6.1-179.4-166.931.2000112.2I43 R44 P50I43-D47 HydrophobicContact CG2-CB 4.17Å; R44-D47 PolarHBondContact O-N 3.05Å; D47-P50 WeakPolarHBondContact O-CD 3.46Å
48L81.9Confident81.2Confident82 Ų82114.7 Ų114.743%0.42957%0.571SS.*G310 helixtrans-80.1-24.6174.9-15381.4000112.6I43 H45 W46 M51 V52I43-L48 HydrophobicContact CG2-CB 4.48Å; I43-L48 HydrophobicContact CG2-CD1 4.12Å; H45-L48 PolarHBondContact O-N 3.34Å; W46-L48 VanDerWaalsContact C-N 3.29Å; L48-M51 WeakPolarHBondContact O-CB 3.49Å; L48-M51 PolarHBondContact O-N 2.76Å; L48-M51 VanDerWaalsContact O-N 3.12Å; L48-V52 HydrophobicContact CD2-CG2 4.19Å; L48-V52 HydrophobicContact CG-CG2 4.23Å; L48-V52 WeakPolarHBondContact O-CG2 3.47Å; L48-V52 PolarHBondContact O-N 3.41Å
49W85.7Confident82.4Confident170 Ų170111 Ų11164%0.64456%0.561SS**Hα-helixtrans-58.1-43.8-175.3-74.7107.5000114.3M51 V52 G53W49-M51 VanDerWaalsContact C-N 3.3Å; W49-M51 PolarHBondContact O-N 3.45Å; W49-V52 PolarHBondContact O-N 2.95Å; W49-G53 PolarHBondContact O-N 3.35Å
50P89.1Confident84Confident75 Ų75109.5 Ų109.549%0.48756%0.563SS.*Hα-helixtrans-61.2-38.4175.6-23.434.5000112.5D47 G53 L54D47-P50 WeakPolarHBondContact O-CD 3.46Å; P50-G53 PolarHBondContact O-N 2.7Å; P50-L54 WeakPolarHBondContact O-CB 3.41Å; P50-L54 VanDerWaalsContact O-CG 3.32Å; P50-L54 WeakPolarHBondContact O-CG 3.5Å; P50-L54 PolarHBondContact O-N 2.79Å
51M87.2Confident85.4Confident106 Ų106100.8 Ų100.852%0.52254%0.539SS..Hα-helixtrans-68.5-42.9178.9-66.5-65.9170.500111.6L48 W49 G53 L54 M55L48-M51 WeakPolarHBondContact O-CB 3.49Å; L48-M51 PolarHBondContact O-N 2.76Å; L48-M51 VanDerWaalsContact O-N 3.12Å; W49-M51 VanDerWaalsContact C-N 3.3Å; W49-M51 PolarHBondContact O-N 3.45Å; M51-G53 VanDerWaalsContact C-N 3.34Å; M51-L54 PolarHBondContact O-N 2.97Å; M51-M55 WeakPolarHBondContact O-CG 3.28Å; M51-M55 PolarHBondContact O-N 3.05Å
52V88.8Confident86.5Confident72 Ų7297.5 Ų97.544%0.43652%0.519SS..Hα-helixtrans-63.2-41.6174.9176.20000110.7L48 W49 M55 A56L48-V52 HydrophobicContact CD2-CG2 4.19Å; L48-V52 HydrophobicContact CG-CG2 4.23Å; L48-V52 WeakPolarHBondContact O-CG2 3.47Å; L48-V52 PolarHBondContact O-N 3.41Å; W49-V52 PolarHBondContact O-N 2.95Å; V52-M55 PolarHBondContact O-N 2.95Å; V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3.4Å
53G93Very high87.7Confident44 Ų4499.3 Ų99.345%0.45452%0.524SS..Hα-helixtrans-62.6-42.9175.800000113.1W49 P50 M51 A56 G57W49-G53 PolarHBondContact O-N 3.35Å; P50-G53 PolarHBondContact O-N 2.7Å; M51-G53 VanDerWaalsContact C-N 3.34Å; G53-A56 PolarHBondContact O-N 2.54Å; G53-G57 PolarHBondContact O-N 2.73Å
54L93Very high88.9Confident113 Ų113104 Ų10459%0.59254%0.542SS*.Hα-helixtrans-63.7-42.5174.8-75170.7000112.1P50 M51 G57 F58P50-L54 WeakPolarHBondContact O-CB 3.41Å; P50-L54 VanDerWaalsContact O-CG 3.32Å; P50-L54 WeakPolarHBondContact O-CG 3.5Å; P50-L54 PolarHBondContact O-N 2.79Å; M51-L54 PolarHBondContact O-N 2.97Å; L54-G57 PolarHBondContact O-N 3.48Å; L54-F58 WeakPolarHBondContact O-CB 2.89Å; L54-F58 PolarHBondContact O-N 2.97Å
55M93.1Very high89.8Confident125 Ų12598.9 Ų98.962%0.61653%0.529SS*.Hα-helixtrans-64.4-43.2175.4-70.3-60.5104.700111.6M51 V52 F58 V59M51-M55 WeakPolarHBondContact O-CG 3.28Å; M51-M55 PolarHBondContact O-N 3.05Å; V52-M55 PolarHBondContact O-N 2.95Å; M55-F58 PolarHBondContact O-N 2.9Å; M55-V59 VanDerWaalsContact O-CG2 3.3Å; M55-V59 WeakPolarHBondContact O-CG2 3.43Å; M55-V59 PolarHBondContact O-N 2.88Å
56A94.3Very high90.6Very high57 Ų5794 Ų9447%0.47151%0.514SS..Hα-helixtrans-63.6-42.2175.900000111.8V52 G53 F58 V59 A60V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3.4Å; G53-A56 PolarHBondContact O-N 2.54Å; A56-F58 VanDerWaalsContact C-N 3.34Å; A56-F58 PolarHBondContact O-N 3.14Å; A56-V59 PolarHBondContact O-N 2.91Å; A56-A60 VanDerWaalsContact O-CB 3.25Å; A56-A60 WeakPolarHBondContact O-CB 3.08Å; A56-A60 PolarHBondContact O-N 2.92Å
57G96.1Very high90.8Very high45 Ų4588.1 Ų88.146%0.46450%0.501SS..Hα-helixtrans-63.4-39.3175.200000112.4G53 L54 G61G53-G57 PolarHBondContact O-N 2.73Å; L54-G57 PolarHBondContact O-N 3.48Å; G57-G61 PolarHBondContact O-N 3.3Å
58F95.1Very high90.7Very high140 Ų14086.6 Ų86.661%0.61449%0.488SS*.Hα-helixtrans-65.3-47.8174.9-172.3-98.4000111.6L54 M55 A56 A60 G61 T62L54-F58 WeakPolarHBondContact O-CB 2.89Å; L54-F58 PolarHBondContact O-N 2.97Å; M55-F58 PolarHBondContact O-N 2.9Å; A56-F58 VanDerWaalsContact C-N 3.34Å; A56-F58 PolarHBondContact O-N 3.14Å; F58-A60 PolarHBondContact O-N 2.59Å; F58-G61 PolarHBondContact O-N 3.27Å; F58-T62 HydrophobicContact CD1-CG2 4.13Å; F58-T62 HydrophobicContact CE1-CG2 3.75Å; F58-T62 HydrophobicContact CZ-CG2 3.98Å; F58-T62 WeakPolarHBondContact O-CG2 3.28Å; F58-T62 PolarHBondContact O-N 2.9Å; F58-T62 PolarHBondContact O-OG1 3.36Å
59V95.6Very high90.7Very high78 Ų7885.8 Ų85.847%0.47348%0.484SS..Hα-helixtrans-63-41.9177.3172.60000111.4M55 A56 G61 T62 I63M55-V59 VanDerWaalsContact O-CG2 3.3Å; M55-V59 WeakPolarHBondContact O-CG2 3.43Å; M55-V59 PolarHBondContact O-N 2.88Å; A56-V59 PolarHBondContact O-N 2.91Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 3.07Å; V59-T62 WeakPolarHBondContact CA-OG1 3.5Å; V59-T62 PolarHBondContact O-N 3.07Å; V59-T62 PolarHBondContact O-OG1 3.5Å; V59-I63 HydrophobicContact CG1-CD1 3.74Å; V59-I63 HydrophobicContact CG1-CG1 4.43Å; V59-I63 WeakPolarHBondContact O-CB 3.26Å; V59-I63 WeakPolarHBondContact O-CD1 3.38Å; V59-I63 WeakPolarHBondContact O-CG1 3.02Å; V59-I63 PolarHBondContact O-N 3.42Å
60A95.9Very high90.3Very high58 Ų5882.5 Ų82.548%0.47948%0.478SS..Hα-helixtrans-62.9-42174.700000111.5A56 F58 I63 F64A56-A60 VanDerWaalsContact O-CB 3.25Å; A56-A60 WeakPolarHBondContact O-CB 3.08Å; A56-A60 PolarHBondContact O-N 2.92Å; F58-A60 PolarHBondContact O-N 2.59Å; A60-I63 PolarHBondContact O-N 3.1Å; A60-F64 VanDerWaalsContact O-CB 3.31Å; A60-F64 WeakPolarHBondContact O-CB 3.09Å; A60-F64 PolarHBondContact O-N 3.28Å
61G94.7Very high89.5Confident29 Ų2982.2 Ų82.230%0.29948%0.475SS..Hα-helixtrans-61.8-45.6175.100000112.8G57 F58 V59 F64 I65G57-G61 PolarHBondContact O-N 3.3Å; F58-G61 PolarHBondContact O-N 3.27Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 3.07Å; G61-F64 PolarHBondContact O-N 3.36Å; G61-I65 WeakPolarHBondContact O-CB 3.35Å; G61-I65 WeakPolarHBondContact O-CD1 2.96Å; G61-I65 WeakPolarHBondContact O-CG1 3.36Å; G61-I65 PolarHBondContact O-N 3.34Å
62T93.8Very high88.6Confident56 Ų5680.7 Ų80.734%0.34447%0.466SS..Hα-helixtrans-67.8-36.9178.156.80000112.3F58 V59 S66F58-T62 HydrophobicContact CD1-CG2 4.13Å; F58-T62 HydrophobicContact CE1-CG2 3.75Å; F58-T62 HydrophobicContact CZ-CG2 3.98Å; F58-T62 WeakPolarHBondContact O-CG2 3.28Å; F58-T62 PolarHBondContact O-N 2.9Å; F58-T62 PolarHBondContact O-OG1 3.36Å; V59-T62 WeakPolarHBondContact CA-OG1 3.5Å; V59-T62 PolarHBondContact O-N 3.07Å; V59-T62 PolarHBondContact O-OG1 3.5Å; T62-S66 VanDerWaalsContact O-CB 3.29Å; T62-S66 WeakPolarHBondContact O-CB 3.27Å; T62-S66 PolarHBondContact O-N 3.33Å; T62-S66 PolarHBondContact O-OG 3.49Å
63I93.7Very high87.4Confident98 Ų9883.4 Ų83.450%0.50347%0.469SS..Hα-helixtrans-64.2-48.3173.5-68.1165.6000110V59 A60 I65 S66 V67V59-I63 HydrophobicContact CG1-CD1 3.74Å; V59-I63 HydrophobicContact CG1-CG1 4.43Å; V59-I63 WeakPolarHBondContact O-CB 3.26Å; V59-I63 WeakPolarHBondContact O-CD1 3.38Å; V59-I63 WeakPolarHBondContact O-CG1 3.02Å; V59-I63 PolarHBondContact O-N 3.42Å; A60-I63 PolarHBondContact O-N 3.1Å; I63-I65 PolarHBondContact O-N 3.36Å; I63-S66 PolarHBondContact O-N 2.72Å; I63-S66 VanDerWaalsContact O-N 3.16Å; I63-V67 HydrophobicContact CG2-CG2 4.3Å; I63-V67 WeakPolarHBondContact O-CG2 3.17Å; I63-V67 PolarHBondContact O-N 2.68Å
64F90.5Very high86.1Confident145 Ų14586.1 Ų86.164%0.63647%0.473SS*.Hα-helixtrans-57.8-47178.4179.8-99.8000112A60 G61 S66 V67 Y68A60-F64 VanDerWaalsContact O-CB 3.31Å; A60-F64 WeakPolarHBondContact O-CB 3.09Å; A60-F64 PolarHBondContact O-N 3.28Å; G61-F64 PolarHBondContact O-N 3.36Å; F64-S66 VanDerWaalsContact C-N 3.34Å; F64-S66 PolarHBondContact O-N 3.37Å; F64-V67 PolarHBondContact O-N 3.45Å; F64-Y68 WeakPolarHBondContact O-CB 3.19Å; F64-Y68 PolarHBondContact O-N 2.85Å
65I89.6Confident84.7Confident98 Ų9881.5 Ų81.550%0.50345%0.45SS..Hα-helixtrans-63.4-41.6177.1-67163000110.7G61 I63 Y68 N69G61-I65 WeakPolarHBondContact O-CB 3.35Å; G61-I65 WeakPolarHBondContact O-CD1 2.96Å; G61-I65 WeakPolarHBondContact O-CG1 3.36Å; G61-I65 PolarHBondContact O-N 3.34Å; I63-I65 PolarHBondContact O-N 3.36Å; I65-Y68 PolarHBondContact O-N 3.21Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.4Å; I65-N69 PolarHBondContact O-N 3.12Å; I65-N69 PolarHBondContact O-ND2 3.33Å
66S87.7Confident83.5Confident66 Ų6681.8 Ų81.846%0.46244%0.444SS..Hα-helixtrans-63.8-47.8179.1-60.60000111.3T62 I63 F64 Y68 N69 L70T62-S66 VanDerWaalsContact O-CB 3.29Å; T62-S66 WeakPolarHBondContact O-CB 3.27Å; T62-S66 PolarHBondContact O-N 3.33Å; T62-S66 PolarHBondContact O-OG 3.49Å; I63-S66 PolarHBondContact O-N 2.72Å; I63-S66 VanDerWaalsContact O-N 3.16Å; F64-S66 VanDerWaalsContact C-N 3.34Å; F64-S66 PolarHBondContact O-N 3.37Å; S66-Y68 VanDerWaalsContact C-N 3.32Å; S66-Y68 PolarHBondContact O-N 3.25Å; S66-N69 PolarHBondContact O-N 3.47Å; S66-L70 VanDerWaalsContact O-CG 3.32Å; S66-L70 WeakPolarHBondContact O-CG 3.46Å; S66-L70 PolarHBondContact O-N 2.79Å
67V84Confident82.2Confident85 Ų8585.2 Ų85.252%0.51545%0.454SS..Hα-helixtrans-59.9-44176.4174.60000110.6I63 F64 N69 L70 T71I63-V67 HydrophobicContact CG2-CG2 4.3Å; I63-V67 WeakPolarHBondContact O-CG2 3.17Å; I63-V67 PolarHBondContact O-N 2.68Å; F64-V67 PolarHBondContact O-N 3.45Å; V67-N69 VanDerWaalsContact C-N 3.32Å; V67-N69 PolarHBondContact O-N 3.16Å; V67-L70 PolarHBondContact O-N 3.09Å; V67-T71 PolarHBondContact O-N 3Å
68Y81.7Confident81Confident77 Ų7784.8 Ų84.830%0.30244%0.441SS..Hα-helixtrans-59.7-42.1176.5-169.7-100.7000112.4F64 I65 S66 T71 T99F64-Y68 WeakPolarHBondContact O-CB 3.19Å; F64-Y68 PolarHBondContact O-N 2.85Å; I65-Y68 PolarHBondContact O-N 3.21Å; S66-Y68 VanDerWaalsContact C-N 3.32Å; S66-Y68 PolarHBondContact O-N 3.25Å; Y68-T71 PolarHBondContact O-N 3.38Å; Y68-T71 PolarHBondContact O-OG1 2.91Å; Y68-T99 PolarHBondContact OH-O 2.89Å
69N81.4Confident80Confident64 Ų6486.8 Ų86.834%0.34244%0.444SS..Hα-helixtrans-70.9-35.1177.9-78.9-73.6000112.8I65 S66 V67 T71 K72 Y73I65-N69 WeakPolarHBondContact CG2-ND2 3.4Å; I65-N69 PolarHBondContact O-N 3.12Å; I65-N69 PolarHBondContact O-ND2 3.33Å; S66-N69 PolarHBondContact O-N 3.47Å; V67-N69 VanDerWaalsContact C-N 3.32Å; V67-N69 PolarHBondContact O-N 3.16Å; N69-T71 PolarHBondContact O-N 2.56Å; N69-K72 WeakPolarHBondContact O-CA 3.19Å; N69-K72 VanDerWaalsContact O-CB 3.27Å; N69-K72 WeakPolarHBondContact O-CB 3.37Å; N69-K72 PolarHBondContact O-N 3.14Å; N69-Y73 HydrophobicContact CB-CE2 4.28Å; N69-Y73 WeakPolarHBondContact O-CD2 3.39Å; N69-Y73 PolarHBondContact O-N 2.92Å
70L78.7Confident79.2Confident102 Ų10289.1 Ų89.153%0.53446%0.459SS..Hα-helixtrans-59.1-33.1175.6-72.2173.3000112.5S66 V67 K72 Y73 D74S66-L70 VanDerWaalsContact O-CG 3.32Å; S66-L70 WeakPolarHBondContact O-CG 3.46Å; S66-L70 PolarHBondContact O-N 2.79Å; V67-L70 PolarHBondContact O-N 3.09Å; L70-K72 PolarHBondContact O-N 3.07Å; L70-K72 VanDerWaalsContact O-N 3.16Å; L70-Y73 HydrophobicContact CD2-CD2 4.36Å; L70-Y73 PolarHBondContact O-N 2.78Å; L70-D74 PolarHBondContact O-N 2.88Å
71T72.3Confident78Confident69 Ų6992.1 Ų92.142%0.42346%0.461SS..Hα-helixtrans-61.7-23.3173.672.40000113.6V67 Y68 N69 K94V67-T71 PolarHBondContact O-N 3Å; Y68-T71 PolarHBondContact O-N 3.38Å; Y68-T71 PolarHBondContact O-OG1 2.91Å; N69-T71 PolarHBondContact O-N 2.56Å; T71-K94 PolarHBondContact O-NZ 3.33Å
72K68.2Low77.2Confident73 Ų7396.7 Ų96.732%0.31749%0.488SS..Hα-helixtrans-79.4-41.4171.5-47.4-142.9175170.90111.4N69 L70 D74 V75 Q98N69-K72 WeakPolarHBondContact O-CA 3.19Å; N69-K72 VanDerWaalsContact O-CB 3.27Å; N69-K72 WeakPolarHBondContact O-CB 3.37Å; N69-K72 PolarHBondContact O-N 3.14Å; L70-K72 PolarHBondContact O-N 3.07Å; L70-K72 VanDerWaalsContact O-N 3.16Å; K72-D74 VanDerWaalsContact C-N 3.26Å; K72-D74 PolarHBondContact O-N 3.31Å; K72-V75 PolarHBondContact O-N 2.57Å; K72-Q98 VanDerWaalsContact CG-NE2 3.28Å
73Y62.9Low76.4Confident130 Ų13096.3 Ų96.351%0.5149%0.486SS..Hα-helixtrans-68.7-21.4179.9-72.3-71.4000114N69 L70 V75 W76 L77N69-Y73 HydrophobicContact CB-CE2 4.28Å; N69-Y73 WeakPolarHBondContact O-CD2 3.39Å; N69-Y73 PolarHBondContact O-N 2.92Å; L70-Y73 HydrophobicContact CD2-CD2 4.36Å; L70-Y73 PolarHBondContact O-N 2.78Å; Y73-V75 PolarHBondContact O-N 3.39Å; Y73-V75 VanDerWaalsContact O-N 3.09Å; Y73-W76 WeakPolarHBondContact O-CA 3.19Å; Y73-W76 WeakPolarHBondContact O-CB 3.38Å; Y73-W76 PolarHBondContact O-N 2.96Å; Y73-L77 PolarHBondContact O-N 2.93Å
74D65.5Low75.7Confident100 Ų10093.9 Ų93.954%0.53548%0.476SS..Hα-helixtrans-55.2-30.2177.1-154.212.7000112.2L70 K72 W76 D78L70-D74 PolarHBondContact O-N 2.88Å; K72-D74 VanDerWaalsContact C-N 3.26Å; K72-D74 PolarHBondContact O-N 3.31Å; D74-W76 VanDerWaalsContact C-N 3.26Å; D74-W76 PolarHBondContact O-N 3.41Å; D74-D78 WeakPolarHBondContact O-CB 3.39Å; D74-D78 PolarHBondContact O-N 3.45Å
75V63.3Low74.7Confident17 Ų1787.5 Ų87.510%0.10345%0.449CS..Hα-helixtrans-63.8-32.3173.2-170.70000112.6K72 Y73 F91 K94K72-V75 PolarHBondContact O-N 2.57Å; Y73-V75 PolarHBondContact O-N 3.39Å; Y73-V75 VanDerWaalsContact O-N 3.09Å; V75-F91 HydrophobicContact CB-CE1 4.14Å; V75-F91 HydrophobicContact CG1-CD1 4.11Å; V75-F91 HydrophobicContact CG1-CE1 3.53Å; V75-F91 HydrophobicContact CG1-CZ 3.77Å; V75-K94 HydrophobicContact CG2-CD 3.51Å
76W68.3Low74.1Confident130 Ų13091.8 Ų91.849%0.49246%0.459SS..Hα-helixtrans-88.4-32.3-177.3-67.688.5000113.1Y73 D74 P85 F91Y73-W76 WeakPolarHBondContact O-CA 3.19Å; Y73-W76 WeakPolarHBondContact O-CB 3.38Å; Y73-W76 PolarHBondContact O-N 2.96Å; D74-W76 VanDerWaalsContact C-N 3.26Å; D74-W76 PolarHBondContact O-N 3.41Å; W76-P85 HydrophobicContact CE3-CB 4.2Å; W76-F91 HydrophobicContact CZ2-CZ 4.11Å
77L67.7Low73.5Confident130 Ų13091.3 Ų91.368%0.68145%0.452SS*.Hα-helixtrans-85.4-24.6179.7-71172.6000112.8Y73 R79Y73-L77 PolarHBondContact O-N 2.93Å; L77-R79 PolarHBondContact O-N 3.34Å
78D70.7Confident73Confident36 Ų3691.2 Ų91.219%0.19344%0.442CS..  trans-71.191.8177.5-175.315.9000112D74 T80 K81 R90D74-D78 WeakPolarHBondContact O-CB 3.39Å; D74-D78 PolarHBondContact O-N 3.45Å; D78-T80 VanDerWaalsContact C-N 3.35Å; D78-T80 WeakPolarHBondContact OD1-CB 3.45Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.32Å; D78-T80 PolarHBondContact OD1-N 3.27Å; D78-T80 VanDerWaalsContact OD1-N 3.11Å; D78-T80 PolarHBondContact OD1-OG1 3.26Å; D78-K81 WeakPolarHBondContact OD2-CE 3.31Å; D78-K81 IonicContact OD2-NZ 3.83Å; D78-R90 PolarHBondContact O-NH1 3.32Å; D78-R90 VanDerWaalsContact O-NH1 3.14Å
79R73.5Confident72.5Confident182 Ų18290 Ų9069%0.68745%0.445SS*.  trans-85.2-1.6174.6-61.9-60.6-177.2179.5-2113.7L77 K81L77-R79 PolarHBondContact O-N 3.34Å; R79-K81 VanDerWaalsContact C-N 3.27Å; R79-K81 PolarHBondContact O-N 2.9Å
80T80Confident72.1Confident126 Ų12688.7 Ų88.777%0.77344%0.435SS*.SBendtrans-70.2-27.1-17666.40000112.8D78D78-T80 VanDerWaalsContact C-N 3.35Å; D78-T80 WeakPolarHBondContact OD1-CB 3.45Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.32Å; D78-T80 PolarHBondContact OD1-N 3.27Å; D78-T80 VanDerWaalsContact OD1-N 3.11Å; D78-T80 PolarHBondContact OD1-OG1 3.26Å
81K69.1Low71.8Confident121 Ų12185.3 Ų85.353%0.52642%0.416SS..SBendtrans-84.8136.9-178-73.7169.8-168.3173.70111.1D78 R79 V83 R90D78-K81 WeakPolarHBondContact OD2-CE 3.31Å; D78-K81 IonicContact OD2-NZ 3.83Å; R79-K81 VanDerWaalsContact C-N 3.27Å; R79-K81 PolarHBondContact O-N 2.9Å; K81-V83 VanDerWaalsContact C-N 3.26Å; K81-V83 PolarHBondContact O-N 3.25Å; K81-R90 VanDerWaalsContact CB-CZ 3.47Å; K81-R90 PolarHBondContact O-NH2 3.5Å
82S79.5Confident71.8Confident125 Ų12585.7 Ų85.787%0.87441%0.41SS*.SBendtrans-64.9-25.8-178.155.90000114.5
83V75.9Confident71.8Confident48 Ų4887.7 Ų87.729%0.29142%0.424SS..SBendtrans-72.1139.9-179.4-179.30000109.7K81 D87 R90K81-V83 VanDerWaalsContact C-N 3.26Å; K81-V83 PolarHBondContact O-N 3.25Å; V83-D87 HydrophobicContact CG1-CB 3.37Å; V83-D87 WeakPolarHBondContact CG1-OD2 3.35Å; V83-R90 HydrophobicContact CB-CG 4.26Å; V83-R90 HydrophobicContact CG1-CG 3.88Å; V83-R90 PolarHBondContact O-NE 3.11Å; V83-R90 PolarHBondContact O-NH2 2.89Å
84P78.8Confident72Confident47 Ų4784.3 Ų84.331%0.30541%0.412SS..  trans-67.3156.1178.522.4-28.5000113.3W86 D87 R90P84-W86 HydrophobicContact CB-CD2 3.69Å; P84-W86 VanDerWaalsContact CB-CE2 3.4Å; P84-W86 HydrophobicContact CB-CE3 3.78Å; P84-W86 HydrophobicContact CB-CH2 3.36Å; P84-W86 HydrophobicContact CB-CZ2 3.25Å; P84-W86 HydrophobicContact CB-CZ3 3.62Å; P84-W86 HydrophobicContact CG-CD2 4.31Å; P84-W86 HydrophobicContact CG-CH2 4.22Å; P84-W86 HydrophobicContact CG-CZ2 3.62Å; P84-W86 PolarHBondContact O-N 3.39Å; P84-D87 HydrophobicContact CG-CB 4.14Å; P84-D87 WeakPolarHBondContact O-CB 3.43Å; P84-D87 PolarHBondContact O-N 3.01Å; P84-D87 VanDerWaalsContact O-N 3.12Å; P84-R90 PolarHBondContact O-NE 3.18Å
85P70.2Confident71.8Confident11 Ų1185.3 Ų85.37%0.07141%0.409CS..THydrogen-bonded Turntrans-69.2-18.2-174.630.2-38.9000114.2W76 F91W76-P85 HydrophobicContact CE3-CB 4.2Å; P85-F91 WeakPolarHBondContact O-CE2 3.25Å; P85-F91 WeakPolarHBondContact O-CZ 3.34Å
86W75.9Confident71.6Confident188 Ų18890.2 Ų90.271%0.71243%0.426SS*.THydrogen-bonded Turntrans-89-4.7175.863.382.4000112.9P84 W88P84-W86 HydrophobicContact CB-CD2 3.69Å; P84-W86 VanDerWaalsContact CB-CE2 3.4Å; P84-W86 HydrophobicContact CB-CE3 3.78Å; P84-W86 HydrophobicContact CB-CH2 3.36Å; P84-W86 HydrophobicContact CB-CZ2 3.25Å; P84-W86 HydrophobicContact CB-CZ3 3.62Å; P84-W86 HydrophobicContact CG-CD2 4.31Å; P84-W86 HydrophobicContact CG-CH2 4.22Å; P84-W86 HydrophobicContact CG-CZ2 3.62Å; P84-W86 PolarHBondContact O-N 3.39Å; W86-W88 PolarHBondContact O-N 3.42Å
87D76.5Confident71.2Confident56 Ų5688.5 Ų88.530%0.29943%0.43SS..  trans-68.7128.1-176.6-168.118.3000110.9V83 P84 S89 R90 F91V83-D87 HydrophobicContact CG1-CB 3.37Å; V83-D87 WeakPolarHBondContact CG1-OD2 3.35Å; P84-D87 HydrophobicContact CG-CB 4.14Å; P84-D87 WeakPolarHBondContact O-CB 3.43Å; P84-D87 PolarHBondContact O-N 3.01Å; P84-D87 VanDerWaalsContact O-N 3.12Å; D87-S89 VanDerWaalsContact CG-OG 3.31Å; D87-S89 PolarHBondContact O-N 3.4Å; D87-S89 WeakPolarHBondContact OD2-CB 3.43Å; D87-S89 PolarHBondContact OD2-OG 2.94Å; D87-R90 PolarHBondContact O-N 3.02Å; D87-F91 WeakPolarHBondContact O-CD2 3.29Å
88W72.5Confident71.1Confident83 Ų8384.3 Ų84.331%0.31441%0.407SS..Hα-helixtrans-58.3-35.3-179.2157.3-121.4000112.1W86 R90 F91 R92 Y95 E120 E123W86-W88 PolarHBondContact O-N 3.42Å; W88-R90 PolarHBondContact O-N 2.99Å; W88-R90 VanDerWaalsContact O-N 3.14Å; W88-F91 HydrophobicContact CE3-CB 4.23Å; W88-F91 PolarHBondContact O-N 2.9Å; W88-R92 HydrophobicContact CD2-CB 4.36Å; W88-R92 HydrophobicContact CH2-CB 4.04Å; W88-R92 HydrophobicContact CH2-CG 4.02Å; W88-R92 HydrophobicContact CZ2-CB 3.82Å; W88-R92 HydrophobicContact CZ2-CG 3.61Å; W88-R92 HydrophobicContact CZ3-CB 4.39Å; W88-R92 PolarHBondContact O-N 2.88Å; W88-Y95 HydrophobicContact CZ3-CD2 4.34Å; W88-E120 HydrophobicContact CZ2-CG 4.11Å; W88-E123 WeakPolarHBondContact CZ2-OE2 3.39Å; W88-E123 PolarHBondContact NE1-OE2 3.48Å
89S72.7Confident70.5Confident52 Ų5285.1 Ų85.136%0.36441%0.413SS..Hα-helixtrans-54.7-35.8179.6730000113D87D87-S89 VanDerWaalsContact CG-OG 3.31Å; D87-S89 PolarHBondContact O-N 3.4Å; D87-S89 WeakPolarHBondContact OD2-CB 3.43Å; D87-S89 PolarHBondContact OD2-OG 2.94Å
90R71.7Confident69.8Low37 Ų3780.5 Ų80.514%0.1441%0.406CS..Hα-helixtrans-70.6-32.1176.8-72.5-175.3171.3-138.811112.9D78 K81 V83 P84 D87 W88D78-R90 PolarHBondContact O-NH1 3.32Å; D78-R90 VanDerWaalsContact O-NH1 3.14Å; K81-R90 VanDerWaalsContact CB-CZ 3.47Å; K81-R90 PolarHBondContact O-NH2 3.5Å; V83-R90 HydrophobicContact CB-CG 4.26Å; V83-R90 HydrophobicContact CG1-CG 3.88Å; V83-R90 PolarHBondContact O-NE 3.11Å; V83-R90 PolarHBondContact O-NH2 2.89Å; P84-R90 PolarHBondContact O-NE 3.18Å; D87-R90 PolarHBondContact O-N 3.02Å; W88-R90 PolarHBondContact O-N 2.99Å; W88-R90 VanDerWaalsContact O-N 3.14Å
91F72Confident68.6Low30 Ų3083.3 Ų83.313%0.13240%0.402CS..Hα-helixtrans-86.1-31.6-174.6-74.6-70.4000112.7V75 W76 P85 D87 W88 D93 K94 Y95V75-F91 HydrophobicContact CB-CE1 4.14Å; V75-F91 HydrophobicContact CG1-CD1 4.11Å; V75-F91 HydrophobicContact CG1-CE1 3.53Å; V75-F91 HydrophobicContact CG1-CZ 3.77Å; W76-F91 HydrophobicContact CZ2-CZ 4.11Å; P85-F91 WeakPolarHBondContact O-CE2 3.25Å; P85-F91 WeakPolarHBondContact O-CZ 3.34Å; D87-F91 WeakPolarHBondContact O-CD2 3.29Å; W88-F91 HydrophobicContact CE3-CB 4.23Å; W88-F91 PolarHBondContact O-N 2.9Å; F91-D93 PolarHBondContact O-N 2.96Å; F91-K94 PolarHBondContact O-N 2.86Å; F91-K94 VanDerWaalsContact O-N 3.1Å; F91-Y95 HydrophobicContact CB-CD2 3.74Å; F91-Y95 HydrophobicContact CB-CE2 3.64Å; F91-Y95 AromaticContact CD1-CE2 3.88Å; F91-Y95 HydrophobicContact CD1-CE2 3.88Å; F91-Y95 HydrophobicContact CG-CE2 4.01Å; F91-Y95 VanDerWaalsContact O-CD2 3.28Å; F91-Y95 WeakPolarHBondContact O-CD2 3.32Å; F91-Y95 PolarHBondContact O-N 3.22Å
92R72.2Confident68.1Low78 Ų7886 Ų8629%0.29442%0.421SS..Hα-helixtrans-50-53-176.7-170.717170.6173.22.6112.8W88 K94 D124W88-R92 HydrophobicContact CD2-CB 4.36Å; W88-R92 HydrophobicContact CH2-CB 4.04Å; W88-R92 HydrophobicContact CH2-CG 4.02Å; W88-R92 HydrophobicContact CZ2-CB 3.82Å; W88-R92 HydrophobicContact CZ2-CG 3.61Å; W88-R92 HydrophobicContact CZ3-CB 4.39Å; W88-R92 PolarHBondContact O-N 2.88Å; R92-K94 VanDerWaalsContact C-N 3.35Å; R92-K94 PolarHBondContact O-N 3.4Å; R92-D124 IonicContact NH1-OD1 2.73Å; R92-D124 PolarHBondContact NH1-OD1 3.03Å; R92-D124 IonicContact NH1-OD2 3.05Å
93D68.6Low67Low115 Ų11582.9 Ų82.962%0.61540%0.397SS*.Hα-helixtrans-69.3-33.1-178.3-62.7-22.1000112.8F91 T97F91-D93 PolarHBondContact O-N 2.96Å; D93-T97 PolarHBondContact O-OG1 3.44Å
94K67.9Low66.5Low59 Ų5982.8 Ų82.826%0.25741%0.405SS..Hα-helixtrans-77.3-37.5-177.1-159.8175.2-176.6175.90111.8T71 V75 F91 R92 R96 T97 Q98T71-K94 PolarHBondContact O-NZ 3.33Å; V75-K94 HydrophobicContact CG2-CD 3.51Å; F91-K94 PolarHBondContact O-N 2.86Å; F91-K94 VanDerWaalsContact O-N 3.1Å; R92-K94 VanDerWaalsContact C-N 3.35Å; R92-K94 PolarHBondContact O-N 3.4Å; K94-R96 VanDerWaalsContact C-N 3.28Å; K94-R96 PolarHBondContact O-N 2.7Å; K94-T97 PolarHBondContact O-N 2.92Å; K94-T97 VanDerWaalsContact O-N 3.07Å; K94-T97 PolarHBondContact O-OG1 3.38Å; K94-T97 VanDerWaalsContact O-OG1 3.07Å; K94-Q98 VanDerWaalsContact O-CB 3.26Å; K94-Q98 WeakPolarHBondContact O-CB 3.45Å; K94-Q98 PolarHBondContact O-N 3.16Å
95Y60.9Low65.8Low120 Ų12088.8 Ų88.847%0.47142%0.422SS..Hα-helixtrans-62.7-34.8178.3-85.7-63.1000112.7W88 F91 T97W88-Y95 HydrophobicContact CZ3-CD2 4.34Å; F91-Y95 HydrophobicContact CB-CD2 3.74Å; F91-Y95 HydrophobicContact CB-CE2 3.64Å; F91-Y95 AromaticContact CD1-CE2 3.88Å; F91-Y95 HydrophobicContact CD1-CE2 3.88Å; F91-Y95 HydrophobicContact CG-CE2 4.01Å; F91-Y95 VanDerWaalsContact O-CD2 3.28Å; F91-Y95 WeakPolarHBondContact O-CD2 3.32Å; F91-Y95 PolarHBondContact O-N 3.22Å; Y95-T97 PolarHBondContact O-N 3.49Å
96R59.4Low65.9Low120 Ų12097 Ų9745%0.45346%0.457SS..Hα-helixtrans-60.3-30.6173.4-113.9-172.7177.7960.6113.4K94 Y109 Y112 E120K94-R96 VanDerWaalsContact C-N 3.28Å; K94-R96 PolarHBondContact O-N 2.7Å; R96-Y109 WeakPolarHBondContact O-CE1 3.49Å; R96-Y112 HydrophobicContact CG-CD1 4.26Å; R96-Y112 HydrophobicContact CG-CE1 3.84Å; R96-E120 IonicContact CZ-OE2 3.64Å; R96-E120 IonicContact NH1-OE1 3.51Å; R96-E120 PolarHBondContact NH1-OE1 3.31Å; R96-E120 IonicContact NH1-OE2 3.59Å; R96-E120 PolarHBondContact NH1-OE2 3.13Å; R96-E120 IonicContact NH2-OE2 3.48Å
97T60.5Low65.6Low94 Ų9494.5 Ų94.558%0.57745%0.453SS*.Hα-helixtrans-104.9-21.5-172.153.70000113.7D93 K94 Y95 T99D93-T97 PolarHBondContact O-OG1 3.44Å; K94-T97 PolarHBondContact O-N 2.92Å; K94-T97 VanDerWaalsContact O-N 3.07Å; K94-T97 PolarHBondContact O-OG1 3.38Å; K94-T97 VanDerWaalsContact O-OG1 3.07Å; Y95-T97 PolarHBondContact O-N 3.49Å; T97-T99 PolarHBondContact O-N 3.49Å
98Q64.3Low65.1Low42 Ų4294.2 Ų94.220%0.19645%0.451CS..  trans-84.9111.5-172.2-166.5164.5-9.400111.6K72 K94 T100K72-Q98 VanDerWaalsContact CG-NE2 3.28Å; K94-Q98 VanDerWaalsContact O-CB 3.26Å; K94-Q98 WeakPolarHBondContact O-CB 3.45Å; K94-Q98 PolarHBondContact O-N 3.16Å; Q98-T100 PolarHBondContact O-N 3.47Å
99T59.3Low65Low53 Ų5394.8 Ų94.833%0.32545%0.454SS..  trans-62.9100.5171.949.70000109.5Y68 T97 R101Y68-T99 PolarHBondContact OH-O 2.89Å; T97-T99 PolarHBondContact O-N 3.49Å; T99-R101 PolarHBondContact O-N 2.81Å
100T58.2Low65.1Low86 Ų8698.6 Ų98.653%0.52846%0.464SS..SBendtrans-69.4-18.8175.746.90000112.1Q98Q98-T100 PolarHBondContact O-N 3.47Å
101R55.2Low65.2Low184 Ų184100.1 Ų100.169%0.69448%0.479SS*.SBendtrans-140150.6-177.7-128.9168.6-176.9147-1.1109.9T99 V103T99-R101 PolarHBondContact O-N 2.81Å; R101-V103 HydrophobicContact CB-CB 4.42Å; R101-V103 HydrophobicContact CB-CG2 4.1Å; R101-V103 HydrophobicContact CG-CG2 4.24Å; R101-V103 PolarHBondContact O-N 2.92Å
102L57.9Low65.1Low178 Ų178101 Ų10193%0.93248%0.482SS*.SBendtrans-63.49.8171.9-65.5170.1000113.9
103V56.3Low65.3Low59 Ų59104.1 Ų104.136%0.35850%0.5SS..SBendtrans-77.8142.9178.1-178.40000108.5R101 R105 E107R101-V103 HydrophobicContact CB-CB 4.42Å; R101-V103 HydrophobicContact CB-CG2 4.1Å; R101-V103 HydrophobicContact CG-CG2 4.24Å; R101-V103 PolarHBondContact O-N 2.92Å; V103-R105 PolarHBondContact O-N 3.41Å; V103-E107 HydrophobicContact CG1-CB 4.4Å; V103-E107 VanDerWaalsContact CG1-OE2 3.28Å; V103-E107 WeakPolarHBondContact CG1-OE2 3.3Å
104G64.5Low65.8Low46 Ų46104.6 Ų104.647%0.47450%0.499SS..  trans-48.1131.4-173.400000112.6K106 E107G104-K106 PolarHBondContact O-N 2.97Å; G104-E107 PolarHBondContact O-N 3.41Å
105R65.4Low66.2Low173 Ų173105.8 Ų105.865%0.65351%0.511SS*.Hα-helixtrans-45.2-38.4-174.4-160.5-163.5-74.7-160.6-5.9113.6V103 Y109V103-R105 PolarHBondContact O-N 3.41Å; R105-Y109 HydrophobicContact CG-CD2 4.09Å; R105-Y109 HydrophobicContact CG-CE2 3.46Å; R105-Y109 VanDerWaalsContact CG-CE2 3.46Å; R105-Y109 WeakPolarHBondContact O-CD2 3.4Å; R105-Y109 PolarHBondContact O-N 2.81Å
106K71.5Confident67.1Low185 Ų185101 Ų10180%0.80450%0.496SS*.Hα-helixtrans-66.2-41-177.1-67-175.5178.9-178.40114G104 Y109 K110G104-K106 PolarHBondContact O-N 2.97Å; K106-Y109 PolarHBondContact O-N 3.35Å; K106-K110 PolarHBondContact O-N 3.38Å
107E69.4Low68.1Low135 Ų13595.9 Ų95.963%0.63148%0.481SS*.Hα-helixtrans-71.5-35-177.1-65.6-179.7167.200111.4V103 G104 K110 C111V103-E107 HydrophobicContact CG1-CB 4.4Å; V103-E107 VanDerWaalsContact CG1-OE2 3.28Å; V103-E107 WeakPolarHBondContact CG1-OE2 3.3Å; G104-E107 PolarHBondContact O-N 3.41Å; E107-K110 PolarHBondContact O-N 2.92Å; E107-C111 PolarHBondContact O-N 3.12Å
108L65.9Low69.2Low50 Ų5094.2 Ų94.226%0.26247%0.471SS..Hα-helixtrans-65.6-39.8174.7-70.8175.7000112.1K110 C111 Y112L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 3.38Å; L108-C111 PolarHBondContact O-N 3.38Å; L108-Y112 WeakPolarHBondContact O-CB 3.48Å; L108-Y112 PolarHBondContact O-N 2.95Å
109Y70.7Confident70.2Confident94 Ų9497 Ų9737%0.36949%0.487SS..Hα-helixtrans-59.5-44.1175.5-80.3-62.2000112.1R96 R105 K106 Y112 E113R96-Y109 WeakPolarHBondContact O-CE1 3.49Å; R105-Y109 HydrophobicContact CG-CD2 4.09Å; R105-Y109 HydrophobicContact CG-CE2 3.46Å; R105-Y109 VanDerWaalsContact CG-CE2 3.46Å; R105-Y109 WeakPolarHBondContact O-CD2 3.4Å; R105-Y109 PolarHBondContact O-N 2.81Å; K106-Y109 PolarHBondContact O-N 3.35Å; Y109-Y112 PolarHBondContact O-N 2.86Å; Y109-E113 WeakPolarHBondContact O-CB 3.44Å; Y109-E113 PolarHBondContact O-N 3.46Å
110K75.4Confident71.2Confident133 Ų13395.3 Ų95.358%0.57848%0.475SS*.Hα-helixtrans-61.8-48179.4-172-179.2175.6-174.20111.6K106 E107 L108 Y112 E113 E114K106-K110 PolarHBondContact O-N 3.38Å; E107-K110 PolarHBondContact O-N 2.92Å; L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 3.38Å; K110-Y112 VanDerWaalsContact C-N 3.32Å; K110-Y112 PolarHBondContact O-N 2.89Å; K110-E113 PolarHBondContact O-N 2.86Å; K110-E114 WeakPolarHBondContact CE-OE1 3.47Å; K110-E114 WeakPolarHBondContact O-CG 3.19Å; K110-E114 PolarHBondContact O-N 3.39Å; K110-E114 VanDerWaalsContact O-N 3.08Å
111C73.4Confident72.6Confident69 Ų6997.3 Ų97.347%0.46648%0.478SS..Hα-helixtrans-63.8-37.8179-1740000112.2E107 L108 T115E107-C111 PolarHBondContact O-N 3.12Å; L108-C111 PolarHBondContact O-N 3.38Å; C111-T115 PolarHBondContact O-N 3.3Å; C111-T115 PolarHBondContact O-OG1 3.41Å
112Y71.5Confident74.3Confident47 Ų4793.3 Ų93.318%0.18447%0.47CS..Hα-helixtrans-64.3-48.1175.7-174.7-91.1000112R96 L108 Y109 K110 E114 T115 A116 G117 E120R96-Y112 HydrophobicContact CG-CD1 4.26Å; R96-Y112 HydrophobicContact CG-CE1 3.84Å; L108-Y112 WeakPolarHBondContact O-CB 3.48Å; L108-Y112 PolarHBondContact O-N 2.95Å; Y109-Y112 PolarHBondContact O-N 2.86Å; K110-Y112 VanDerWaalsContact C-N 3.32Å; K110-Y112 PolarHBondContact O-N 2.89Å; Y112-E114 VanDerWaalsContact C-N 3.27Å; Y112-E114 PolarHBondContact O-N 3.42Å; Y112-T115 PolarHBondContact O-N 3.42Å; Y112-A116 HydrophobicContact CD1-CB 4.14Å; Y112-A116 HydrophobicContact CD2-CB 3.7Å; Y112-A116 HydrophobicContact CE1-CB 3.87Å; Y112-A116 HydrophobicContact CE2-CB 3.42Å; Y112-A116 VanDerWaalsContact CE2-CB 3.42Å; Y112-A116 HydrophobicContact CG-CB 4.07Å; Y112-A116 WeakPolarHBondContact O-CA 3.35Å; Y112-A116 WeakPolarHBondContact O-CB 3.34Å; Y112-A116 PolarHBondContact O-N 3.22Å; Y112-G117 PolarHBondContact O-N 3.35Å; Y112-E120 PolarHBondContact OH-OE1 2.98Å
113E75.9Confident75.7Confident144 Ų14488 Ų8867%0.67344%0.44SS*.Hα-helixtrans-61-38.3179.8-170.5170.1-162.100111.8Y109 K110 T115Y109-E113 WeakPolarHBondContact O-CB 3.44Å; Y109-E113 PolarHBondContact O-N 3.46Å; K110-E113 PolarHBondContact O-N 2.86Å; E113-T115 PolarHBondContact O-N 2.86Å
114E78.6Confident77.3Confident126 Ų12688.2 Ų88.259%0.58944%0.44SS*.Hα-helixtrans-68.9-29.7177-73.1173.6179.900113.7K110 Y112K110-E114 WeakPolarHBondContact CE-OE1 3.47Å; K110-E114 WeakPolarHBondContact O-CG 3.19Å; K110-E114 PolarHBondContact O-N 3.39Å; K110-E114 VanDerWaalsContact O-N 3.08Å; Y112-E114 VanDerWaalsContact C-N 3.27Å; Y112-E114 PolarHBondContact O-N 3.42Å
115T76.3Confident78.7Confident83 Ų8391.7 Ų91.751%0.50944%0.444SS..Hα-helixtrans-110.2-52.5-170.953.90000113.8C111 Y112 E113 I119C111-T115 PolarHBondContact O-N 3.3Å; C111-T115 PolarHBondContact O-OG1 3.41Å; Y112-T115 PolarHBondContact O-N 3.42Å; E113-T115 PolarHBondContact O-N 2.86Å; T115-I119 WeakPolarHBondContact O-CD1 3.5Å
116A79.4Confident80Confident20 Ų2089 Ų8917%0.16544%0.441CS..Hα-helixtrans-87.2-26.9-176.700000112.5Y112 I119 E120Y112-A116 HydrophobicContact CD1-CB 4.14Å; Y112-A116 HydrophobicContact CD2-CB 3.7Å; Y112-A116 HydrophobicContact CE1-CB 3.87Å; Y112-A116 HydrophobicContact CE2-CB 3.42Å; Y112-A116 VanDerWaalsContact CE2-CB 3.42Å; Y112-A116 HydrophobicContact CG-CB 4.07Å; Y112-A116 WeakPolarHBondContact O-CA 3.35Å; Y112-A116 WeakPolarHBondContact O-CB 3.34Å; Y112-A116 PolarHBondContact O-N 3.22Å; A116-I119 PolarHBondContact O-N 3.39Å; A116-I119 VanDerWaalsContact O-N 3.12Å; A116-E120 PolarHBondContact O-N 3.27Å
117G80Confident80.9Confident12 Ų1284.4 Ų84.412%0.12443%0.425CS..Hα-helixtrans-53.6-51.4-179.800000113.9Y112 I119 E120 Q121Y112-G117 PolarHBondContact O-N 3.35Å; G117-I119 VanDerWaalsContact C-N 3.32Å; G117-I119 PolarHBondContact O-N 2.94Å; G117-E120 PolarHBondContact O-N 3.06Å; G117-Q121 PolarHBondContact O-N 3.3Å
118P84.1Confident82Confident59 Ų5984.5 Ų84.538%0.38343%0.426SS..Hα-helixtrans-64.2-34.9176.5-2434.7000113.3Q121 L122P118-Q121 PolarHBondContact O-N 3.37Å; P118-L122 WeakPolarHBondContact O-CD1 3.34Å; P118-L122 PolarHBondContact O-N 3.48Å; P118-L122 VanDerWaalsContact O-N 3.12Å
119I85.1Confident83.4Confident101 Ų10186.1 Ų86.152%0.51843%0.434SS..Hα-helixtrans-65.8-42.6-179.7-59.8173.4000110.2T115 A116 G117 Q121 L122 E123T115-I119 WeakPolarHBondContact O-CD1 3.5Å; A116-I119 PolarHBondContact O-N 3.39Å; A116-I119 VanDerWaalsContact O-N 3.12Å; G117-I119 VanDerWaalsContact C-N 3.32Å; G117-I119 PolarHBondContact O-N 2.94Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 3.44Å; I119-L122 PolarHBondContact O-N 3.37Å; I119-E123 WeakPolarHBondContact O-CG 3.44Å; I119-E123 PolarHBondContact O-N 3.04Å
120E81.7Confident84.4Confident18 Ų1884 Ų848%0.08443%0.433CS..Hα-helixtrans-58.7-42.1175.6-70.6-176.2166.700112W88 R96 Y112 A116 G117 E123 D124W88-E120 HydrophobicContact CZ2-CG 4.11Å; R96-E120 IonicContact CZ-OE2 3.64Å; R96-E120 IonicContact NH1-OE1 3.51Å; R96-E120 PolarHBondContact NH1-OE1 3.31Å; R96-E120 IonicContact NH1-OE2 3.59Å; R96-E120 PolarHBondContact NH1-OE2 3.13Å; R96-E120 IonicContact NH2-OE2 3.48Å; Y112-E120 PolarHBondContact OH-OE1 2.98Å; A116-E120 PolarHBondContact O-N 3.27Å; G117-E120 PolarHBondContact O-N 3.06Å; E120-E123 PolarHBondContact O-N 3.49Å; E120-D124 PolarHBondContact O-N 3.4Å
121Q87Confident85.2Confident127 Ų12782.8 Ų82.859%0.59343%0.43SS*.Hα-helixtrans-63.8-44.8178.4-69176.1-16.400111.7G117 P118 I119 E123 D124 E125G117-Q121 PolarHBondContact O-N 3.3Å; P118-Q121 PolarHBondContact O-N 3.37Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 3.44Å; Q121-E123 VanDerWaalsContact C-N 3.29Å; Q121-E123 PolarHBondContact O-N 2.89Å; Q121-D124 PolarHBondContact O-N 3.04Å; Q121-E125 WeakPolarHBondContact O-CG 3.45Å; Q121-E125 PolarHBondContact O-N 2.99Å
122L90.5Very high86.2Confident101 Ų10186.2 Ų86.253%0.52944%0.437SS..Hα-helixtrans-62.7-36.9176-9082.3000112P118 I119 E125 L126P118-L122 WeakPolarHBondContact O-CD1 3.34Å; P118-L122 PolarHBondContact O-N 3.48Å; P118-L122 VanDerWaalsContact O-N 3.12Å; I119-L122 PolarHBondContact O-N 3.37Å; L122-E125 PolarHBondContact O-N 3.01Å; L122-L126 WeakPolarHBondContact O-CB 3.22Å; L122-L126 VanDerWaalsContact O-CG 3.24Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 2.87Å
123E87.2Confident87.2Confident65 Ų6590.9 Ų90.930%0.30446%0.455SS..Hα-helixtrans-66.3-41.2176.5-73.8176.4170.200112.3W88 I119 E120 Q121 L126 L127W88-E123 WeakPolarHBondContact CZ2-OE2 3.39Å; W88-E123 PolarHBondContact NE1-OE2 3.48Å; I119-E123 WeakPolarHBondContact O-CG 3.44Å; I119-E123 PolarHBondContact O-N 3.04Å; E120-E123 PolarHBondContact O-N 3.49Å; Q121-E123 VanDerWaalsContact C-N 3.29Å; Q121-E123 PolarHBondContact O-N 2.89Å; E123-L126 PolarHBondContact O-N 3.35Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 WeakPolarHBondContact O-CG 3.5Å; E123-L127 PolarHBondContact O-N 2.99Å
124D89.3Confident88Confident65 Ų6589.1 Ų89.135%0.34845%0.45SS..Hα-helixtrans-63.7-42.9175.6-72.4-31.4000110.6R92 E120 Q121 L126 L127 E128R92-D124 IonicContact NH1-OD1 2.73Å; R92-D124 PolarHBondContact NH1-OD1 3.03Å; R92-D124 IonicContact NH1-OD2 3.05Å; E120-D124 PolarHBondContact O-N 3.4Å; Q121-D124 PolarHBondContact O-N 3.04Å; D124-L126 PolarHBondContact O-N 3.38Å; D124-L127 PolarHBondContact O-N 3.39Å; D124-E128 WeakPolarHBondContact O-CG 3.44Å; D124-E128 PolarHBondContact O-N 3.06Å
125E94Very high88.6Confident119 Ų11991.3 Ų91.356%0.55646%0.457SS*.Hα-helixtrans-60.2-43.9173.8-72.4179.7-176.700112.3Q121 L122 L127 E128 L129Q121-E125 WeakPolarHBondContact O-CG 3.45Å; Q121-E125 PolarHBondContact O-N 2.99Å; L122-E125 PolarHBondContact O-N 3.01Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 3.09Å; E125-E128 PolarHBondContact O-N 3.36Å; E125-L129 WeakPolarHBondContact O-CB 3.31Å; E125-L129 VanDerWaalsContact O-CG 3.29Å; E125-L129 WeakPolarHBondContact O-CG 3.23Å; E125-L129 PolarHBondContact O-N 2.68Å
126L93.2Very high89.4Confident115 Ų11594 Ų9460%0.60246%0.464SS*.Hα-helixtrans-65.8-36.9177.5-74.2172.4000112.2L122 E123 D124 S130L122-L126 WeakPolarHBondContact O-CB 3.22Å; L122-L126 VanDerWaalsContact O-CG 3.24Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 2.87Å; E123-L126 PolarHBondContact O-N 3.35Å; D124-L126 PolarHBondContact O-N 3.38Å; L126-S130 WeakPolarHBondContact O-CB 3.4Å; L126-S130 PolarHBondContact O-N 3.11Å
127L89.6Confident89.8Confident89 Ų8999.6 Ų99.647%0.46649%0.486SS..Hα-helixtrans-64.9-45.3175.1-80.9169.8000111.1E123 D124 E125 S130 Q131E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 WeakPolarHBondContact O-CG 3.5Å; E123-L127 PolarHBondContact O-N 2.99Å; D124-L127 PolarHBondContact O-N 3.39Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 3.09Å; L127-S130 PolarHBondContact O-N 2.99Å; L127-S130 PolarHBondContact O-OG 3.3Å; L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 3.33Å
128E93.4Very high89.5Confident138 Ų138106.5 Ų106.565%0.64551%0.513SS*.Hα-helixtrans-60.9-45.5175.8-72.2-176.1-178.800112D124 E125 S130 Q131 K132D124-E128 WeakPolarHBondContact O-CG 3.44Å; D124-E128 PolarHBondContact O-N 3.06Å; E125-E128 PolarHBondContact O-N 3.36Å; E128-S130 PolarHBondContact O-N 3.49Å; E128-Q131 PolarHBondContact O-N 2.96Å; E128-K132 WeakPolarHBondContact O-CB 3.37Å; E128-K132 PolarHBondContact O-N 3.21Å
129L94.8Very high88.6Confident83 Ų83112.8 Ų112.844%0.43555%0.554SS.*Hα-helixtrans-59.9-46.4175.1-71.8174.6000111E125 Q131 K132 Y133E125-L129 WeakPolarHBondContact O-CB 3.31Å; E125-L129 VanDerWaalsContact O-CG 3.29Å; E125-L129 WeakPolarHBondContact O-CG 3.23Å; E125-L129 PolarHBondContact O-N 2.68Å; L129-Q131 VanDerWaalsContact C-N 3.29Å; L129-Q131 PolarHBondContact O-N 3.02Å; L129-K132 WeakPolarHBondContact O-CB 3.49Å; L129-K132 PolarHBondContact O-N 3.32Å; L129-K132 VanDerWaalsContact O-N 3.1Å; L129-Y133 HydrophobicContact CB-CD2 4.45Å; L129-Y133 HydrophobicContact CB-CE2 4.38Å; L129-Y133 WeakPolarHBondContact O-CD2 3.46Å; L129-Y133 PolarHBondContact O-N 3.4Å
130S92.9Very high88.8Confident50 Ų50113.4 Ų113.435%0.3556%0.556SS.*Hα-helixtrans-58.5-41.5179.179.90000112.3L126 L127 E128 K132 Y133 L134L126-S130 WeakPolarHBondContact O-CB 3.4Å; L126-S130 PolarHBondContact O-N 3.11Å; L127-S130 PolarHBondContact O-N 2.99Å; L127-S130 PolarHBondContact O-OG 3.3Å; E128-S130 PolarHBondContact O-N 3.49Å; S130-K132 VanDerWaalsContact C-N 3.34Å; S130-Y133 PolarHBondContact O-N 3.05Å; S130-L134 WeakPolarHBondContact O-CB 3.5Å; S130-L134 WeakPolarHBondContact O-CG 3.49Å; S130-L134 PolarHBondContact O-N 3.13Å
131Q91.5Very high89.1Confident107 Ų107118.4 Ų118.450%0.558%0.581SS.*Hα-helixtrans-68.4-36.3177.9-70.4178.411.900111.6L127 E128 L129 K135L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 3.33Å; E128-Q131 PolarHBondContact O-N 2.96Å; L129-Q131 VanDerWaalsContact C-N 3.29Å; L129-Q131 PolarHBondContact O-N 3.02Å; Q131-K135 WeakPolarHBondContact O-CG 3.34Å; Q131-K135 PolarHBondContact O-N 2.99Å
132K94.4Very high89.2Confident141 Ų141117.9 Ų117.961%0.61358%0.58SS**Hα-helixtrans-64.2-49174.4-172-180176.9-176.50111.3E128 L129 S130 L134 K135 E136E128-K132 WeakPolarHBondContact O-CB 3.37Å; E128-K132 PolarHBondContact O-N 3.21Å; L129-K132 WeakPolarHBondContact O-CB 3.49Å; L129-K132 PolarHBondContact O-N 3.32Å; L129-K132 VanDerWaalsContact O-N 3.1Å; S130-K132 VanDerWaalsContact C-N 3.34Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 3.42Å; K132-K135 PolarHBondContact O-N 2.99Å; K132-K135 VanDerWaalsContact O-N 3.15Å; K132-E136 PolarHBondContact O-N 3.35Å; K132-E136 VanDerWaalsContact O-N 3.16Å
133Y92.4Very high89.2Confident145 Ų145118.9 Ų118.957%0.56958%0.583SS**Hα-helixtrans-59.1-41.1175.7-80.5-72.1000112.3L129 S130 K135 E136 H137L129-Y133 HydrophobicContact CB-CD2 4.45Å; L129-Y133 HydrophobicContact CB-CE2 4.38Å; L129-Y133 WeakPolarHBondContact O-CD2 3.46Å; L129-Y133 PolarHBondContact O-N 3.4Å; S130-Y133 PolarHBondContact O-N 3.05Å; Y133-K135 PolarHBondContact O-N 3.42Å; Y133-E136 PolarHBondContact O-N 3.45Å; Y133-H137 WeakPolarHBondContact O-CB 3.45Å; Y133-H137 PolarHBondContact O-CD2 3.32Å; Y133-H137 PolarHBondContact O-N 3.33Å
134L92.9Very high89.3Confident108 Ų108122.3 Ų122.357%0.56560%0.6SS**Hα-helixtrans-65.8-35.6176.5-76171.3000112.5S130 K132 E136 K138S130-L134 WeakPolarHBondContact O-CB 3.5Å; S130-L134 WeakPolarHBondContact O-CG 3.49Å; S130-L134 PolarHBondContact O-N 3.13Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 3.42Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-K138 WeakPolarHBondContact O-CA 3.47Å; L134-K138 WeakPolarHBondContact O-CB 3.5Å; L134-K138 PolarHBondContact O-N 3.39Å
135K91.4Very high89.3Confident172 Ų172126.1 Ų126.175%0.74862%0.617SS**Hα-helixtrans-69.3-33.1176.6-73.8171.5-176.4174.80112.7Q131 K132 Y133Q131-K135 WeakPolarHBondContact O-CG 3.34Å; Q131-K135 PolarHBondContact O-N 2.99Å; K132-K135 PolarHBondContact O-N 2.99Å; K132-K135 VanDerWaalsContact O-N 3.15Å; Y133-K135 PolarHBondContact O-N 3.42Å
136E92.2Very high89Confident139 Ų139126.6 Ų126.665%0.6562%0.622SS**Hα-helixtrans-79.9-35.4-178.8-171.9170.9179.800112.8K132 Y133 L134K132-E136 PolarHBondContact O-N 3.35Å; K132-E136 VanDerWaalsContact O-N 3.16Å; Y133-E136 PolarHBondContact O-N 3.45Å; L134-E136 VanDerWaalsContact C-N 3.34Å
137H88.9Confident88.6Confident137 Ų137127.5 Ų127.563%0.63462%0.623SS**Hα-helixtrans-111.4-5.6-173.1-67.3-67.3000115.5Y133 P139Y133-H137 WeakPolarHBondContact O-CB 3.45Å; Y133-H137 PolarHBondContact O-CD2 3.32Å; Y133-H137 PolarHBondContact O-N 3.33Å; H137-P139 WeakPolarHBondContact O-CD 3.49Å
138K73.1Confident88.5Confident158 Ų158130.8 Ų130.869%0.68764%0.636SS**  trans-78.2119173.8-168.3173.8-167.1179.60108.4L134L134-K138 WeakPolarHBondContact O-CA 3.47Å; L134-K138 WeakPolarHBondContact O-CB 3.5Å; L134-K138 PolarHBondContact O-N 3.39Å
139P64.7Low88.1Confident191 Ų191130.1 Ų130.1100%1.2464%0.635SS**  trans-64.10179.429.8-36.4000112.2H137H137-P139 WeakPolarHBondContact O-CD 3.49Å

Retrieved 139 of 139 residues in 393.5 ms (Link to these results)