A0A077ZAS7_TRITR Loading...

AP complex subunit sigma

AlphaFold DB , UniProt , Accession A0A077ZAS7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 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
1M64.6Low53.9Low48 Ų4899.6 Ų99.624%0.23648%0.484CS..  0133.40-59.3-172166.300113.2F3 A26 I27 D31 C36 I39 G77M1-F3 HydrophobicContact CB-CE2 4.11Å; M1-A26 CarbonylContact C-O 3.47Å; M1-A26 VanDerWaalsContact CA-O 3.25Å; M1-A26 WeakPolarHBondContact CA-O 3.36Å; M1-I27 HydrophobicContact CE-CG2 4.01Å; M1-I27 HydrophobicContact CG-CG2 4.15Å; M1-I27 HydrophobicContact SD-CG2 4.4Å; M1-D31 HydrophobicContact CE-CB 3.85Å; M1-D31 VanDerWaalsContact CG-OD2 3.3Å; M1-D31 WeakPolarHBondContact CG-OD2 3.49Å; M1-C36 HydrophobicContact CE-CB 3.85Å; M1-C36 HydrophobicContact SD-CB 4.26Å; M1-I39 HydrophobicContact SD-CD1 3.92Å; M1-G77 WeakPolarHBondContact O-CA 3.22Å
2R67.7Low52.8Low188 Ų188109.4 Ų109.471%0.70952%0.522SS*.EExtended strand (participates in β ladder)trans-126.9121.8172.7-174.7170.6-176.4174.31.3110.6A26R2-A26 HydrophobicContact CB-CB 4.4Å; R2-A26 PolarHBondContact N-O 3.33Å; R2-A26 WeakPolarHBondContact O-CB 3.45Å; R2-A26 PolarHBondContact O-N 3.13Å
3F62.3Low51.7Low34 Ų34110.8 Ų110.815%0.14953%0.533CS..EExtended strand (participates in β ladder)trans-87.2134.4-179.4-73.4-99.4000110.5M1 C25 I39 I40 L70 M74M1-F3 HydrophobicContact CB-CE2 4.11Å; F3-C25 HydrophobicContact CD1-CB 4.25Å; F3-C25 HydrophobicContact CE1-CB 3.97Å; F3-C25 HydrophobicContact CZ-CB 4.37Å; F3-I39 HydrophobicContact CE1-CG2 3.76Å; F3-I39 HydrophobicContact CE2-CG2 4.19Å; F3-I39 HydrophobicContact CZ-CB 4.12Å; F3-I39 HydrophobicContact CZ-CG2 3.31Å; F3-I40 HydrophobicContact CE1-CG1 3.97Å; F3-L70 HydrophobicContact CB-CD2 4.06Å; F3-M74 HydrophobicContact CB-CE 4.5Å; F3-M74 HydrophobicContact CD1-CE 4.04Å; F3-M74 HydrophobicContact CD2-CE 3.06Å; F3-M74 HydrophobicContact CD2-SD 4.09Å; F3-M74 HydrophobicContact CE1-CE 4.04Å; F3-M74 HydrophobicContact CE2-CE 3.07Å; F3-M74 HydrophobicContact CE2-SD 3.47Å; F3-M74 WeakPolarHBondContact CE2-SD 3.47Å; F3-M74 HydrophobicContact CG-CE 3.59Å; F3-M74 HydrophobicContact CZ-CE 3.61Å; F3-M74 HydrophobicContact CZ-SD 3.82Å
4M63.1Low50.4Low101 Ų101118.5 Ų118.550%0.49855%0.554SS.*EExtended strand (participates in β ladder)trans-132.6111.2172.9-172172.8-69.300108.5L6 C24M4-L6 HydrophobicContact CG-CD2 3.84Å; M4-L6 HydrophobicContact CG-CG 4.1Å; M4-L6 PolarHBondContact O-N 3.32Å; M4-L6 HydrophobicContact SD-CD2 3.72Å; M4-L6 HydrophobicContact SD-CG 4.36Å; M4-C24 CarbonylContact C-O 3.54Å; M4-C24 PolarHBondContact N-O 3.16Å; M4-C24 PolarHBondContact O-N 3.17Å
5L60.5Low50Low17 Ų17122.3 Ų122.39%0.08958%0.578CS.*EExtended strand (participates in β ladder)trans-73.1106.8171-60176.4000108.1F7 F23 F43L5-F7 HydrophobicContact CB-CE2 3.77Å; L5-F7 HydrophobicContact CB-CZ 4.03Å; L5-F23 HydrophobicContact CD2-CD1 3.45Å; L5-F23 VanDerWaalsContact CD2-CD1 3.45Å; L5-F23 HydrophobicContact CD2-CE1 3.6Å; L5-F43 HydrophobicContact CD1-CE1 4.19Å; L5-F43 HydrophobicContact CD1-CZ 4.4Å; L5-F43 HydrophobicContact CD2-CD1 4.47Å; L5-F43 HydrophobicContact CD2-CE1 3.77Å
6L54.7Low49.9Very low85 Ų85125.2 Ų125.245%0.44559%0.591SS.*EExtended strand (participates in β ladder)trans-98.2102.8178.4-72.3-178.7000110M4 S8 Y22 C24M4-L6 HydrophobicContact CG-CD2 3.84Å; M4-L6 HydrophobicContact CG-CG 4.1Å; M4-L6 PolarHBondContact O-N 3.32Å; M4-L6 HydrophobicContact SD-CD2 3.72Å; M4-L6 HydrophobicContact SD-CG 4.36Å; L6-S8 PolarHBondContact O-N 2.91Å; L6-Y22 VanDerWaalsContact O-O 3.1Å; L6-C24 HydrophobicContact CD1-CB 3.98Å; L6-C24 HydrophobicContact CG-CB 4.35Å
7F55.9Low49.5Very low74 Ų74126.5 Ų126.533%0.32560%0.603SS.*  trans-83.7109.5166.9-56.9-79.4000108.8L5 R9 I59 I60L5-F7 HydrophobicContact CB-CE2 3.77Å; L5-F7 HydrophobicContact CB-CZ 4.03Å; F7-R9 PolarHBondContact O-N 2.9Å; F7-I59 HydrophobicContact CE1-CB 3.76Å; F7-I59 HydrophobicContact CE1-CD1 4.34Å; F7-I59 HydrophobicContact CE1-CG2 3.82Å; F7-I59 HydrophobicContact CE2-CG2 4.24Å; F7-I59 HydrophobicContact CZ-CB 3.76Å; F7-I59 HydrophobicContact CZ-CG2 3.26Å; F7-I60 HydrophobicContact CD1-CD1 4.36Å; F7-I60 HydrophobicContact CD1-CG1 3.84Å; F7-I60 HydrophobicContact CE1-CG1 4.35Å; F7-I60 HydrophobicContact CG-CG1 4.12Å
8S44.4Very low49Very low85 Ų85126.5 Ų126.559%0.59460%0.596SS**  trans-69.7102.7168.5-176.20000109.1L6L6-S8 PolarHBondContact O-N 2.91Å
9R41.9Very low49.2Very low240 Ų240127.3 Ų127.391%0.90660%0.604SS**  trans-8612.2166.2-122.5-177.179.5-177.85.4112.6F7 G11F7-R9 PolarHBondContact O-N 2.9Å; R9-G11 PolarHBondContact O-N 3.37Å
10Q41.5Very low49.5Very low167 Ų167125.9 Ų125.978%0.7860%0.6SS**  trans-71.589.4-171.6-69.1-80.626.600111.6
11G36.3Very low50.4Low57 Ų57121.3 Ų121.359%0.58858%0.583SS**  48.5108.7127.800000118.2R9 L13R9-G11 PolarHBondContact O-N 3.37Å; G11-L13 PolarHBondContact O-N 2.95Å; G11-L13 VanDerWaalsContact O-N 3.16Å
12K41.3Very low50.9Low217 Ų217125 Ų12594%0.94360%0.596SS**  trans66.119.9145.4-121.4179.3-172.5176.80118.3
13L37.3Very low51.5Low128 Ų128118.6 Ų118.667%0.6757%0.573SS**SBendtrans-108.388.7165.1-81.1157.8000110.8G11 W18G11-L13 PolarHBondContact O-N 2.95Å; G11-L13 VanDerWaalsContact O-N 3.16Å; L13-W18 HydrophobicContact CB-CZ2 4.12Å; L13-W18 WeakPolarHBondContact O-CZ2 3.29Å; L13-W18 PolarHBondContact O-NE1 3.44Å
14R33.4Very low52.3Low218 Ų218119.7 Ų119.782%0.82358%0.584SS**  trans44.297.3153-64.3-111.1-83.9-151-6.1116.4Q16 W18R14-Q16 VanDerWaalsContact C-N 3.26Å; R14-Q16 PolarHBondContact O-N 3.14Å; R14-W18 PolarHBondContact O-NE1 2.97Å
15L45.6Very low53.1Low175 Ų175116.1 Ų116.192%0.91657%0.569SS**  trans-64.254.1174-68158000115.1
16Q48Very low54.2Low169 Ų169118.4 Ų118.479%0.7959%0.59SS**SBendtrans-132.466.7173-72-164.9-18.300112.3R14R14-Q16 VanDerWaalsContact C-N 3.26Å; R14-Q16 PolarHBondContact O-N 3.14Å
17N42.2Very low55.5Low147 Ų147117 Ų11779%0.78658%0.583SS**  trans97.994.4174.1-44.6-21.6000113.2
18W40.8Very low57Low127 Ų127118.8 Ų118.848%0.48160%0.595SS.*  trans-125.763.6167-69.171.6000109.3L13 R14 L20 E56L13-W18 HydrophobicContact CB-CZ2 4.12Å; L13-W18 WeakPolarHBondContact O-CZ2 3.29Å; L13-W18 PolarHBondContact O-NE1 3.44Å; R14-W18 PolarHBondContact O-NE1 2.97Å; W18-L20 PolarHBondContact O-N 3.21Å; W18-E56 VanDerWaalsContact O-OE1 3.1Å
19N52.7Low59Low141 Ų141124 Ų12475%0.75461%0.61SS**  trans-69.722.1167-62.34.3000112E56N19-E56 WeakPolarHBondContact CA-OE2 3.42Å
20L56.4Low61.3Low99 Ų99120.3 Ų120.352%0.51861%0.608SS.*  trans-110.188.2-169.1-164.170.8000109.2W18 Y22W18-L20 PolarHBondContact O-N 3.21Å; L20-Y22 HydrophobicContact CD2-CE1 3.89Å; L20-Y22 HydrophobicContact CD2-CE2 3.8Å; L20-Y22 WeakPolarHBondContact CD2-OH 3.4Å; L20-Y22 HydrophobicContact CG-CE1 4.36Å; L20-Y22 HydrophobicContact CG-CE2 4.09Å
21A68.4Low63.4Low30 Ų30114.7 Ų114.725%0.24858%0.584CS.*PPolyproline II helixtrans-74.7132162.400000109F23A21-F23 HydrophobicContact CB-CE2 3.89Å; A21-F23 HydrophobicContact CB-CZ 4.24Å
22Y73.6Confident65.9Low126 Ų126115.9 Ų115.949%0.49458%0.577SS.*EExtended strand (participates in β ladder)trans-97.6120.1174.9-69.8-86.9000109.5L6 L20L6-Y22 VanDerWaalsContact O-O 3.1Å; L20-Y22 HydrophobicContact CD2-CE1 3.89Å; L20-Y22 HydrophobicContact CD2-CE2 3.8Å; L20-Y22 WeakPolarHBondContact CD2-OH 3.4Å; L20-Y22 HydrophobicContact CG-CE1 4.36Å; L20-Y22 HydrophobicContact CG-CE2 4.09Å
23F80.7Confident68.1Low54 Ų54112.4 Ų112.424%0.23756%0.564CS.*EExtended strand (participates in β ladder)trans-94.4133.8174.5-64.4-92.5000109.2L5 A21 I40 F43 V44 L47 I59L5-F23 HydrophobicContact CD2-CD1 3.45Å; L5-F23 VanDerWaalsContact CD2-CD1 3.45Å; L5-F23 HydrophobicContact CD2-CE1 3.6Å; A21-F23 HydrophobicContact CB-CE2 3.89Å; A21-F23 HydrophobicContact CB-CZ 4.24Å; F23-I40 HydrophobicContact CB-CG2 3.59Å; F23-I40 HydrophobicContact CD2-CG2 4.49Å; F23-I40 HydrophobicContact CG-CG2 4Å; F23-F43 HydrophobicContact CD1-CD1 4.32Å; F23-F43 HydrophobicContact CE1-CD1 4.08Å; F23-F43 HydrophobicContact CE1-CE1 4.09Å; F23-V44 HydrophobicContact CD1-CG2 4.29Å; F23-V44 HydrophobicContact CD2-CG2 3.86Å; F23-V44 HydrophobicContact CE1-CG2 3.94Å; F23-V44 HydrophobicContact CE2-CG2 3.47Å; F23-V44 VanDerWaalsContact CE2-CG2 3.47Å; F23-V44 HydrophobicContact CG-CG2 4.27Å; F23-V44 HydrophobicContact CZ-CG2 3.54Å; F23-L47 HydrophobicContact CE1-CD1 4.18Å; F23-L47 HydrophobicContact CZ-CD1 4.33Å; F23-I59 HydrophobicContact CZ-CD1 4.35Å
24C80.3Confident70.7Confident57 Ų57112 Ų11239%0.38556%0.562SS.*EExtended strand (participates in β ladder)trans-126.5136.5175.3-690000110.4M4 L6M4-C24 CarbonylContact C-O 3.54Å; M4-C24 PolarHBondContact N-O 3.16Å; M4-C24 PolarHBondContact O-N 3.17Å; L6-C24 HydrophobicContact CD1-CB 3.98Å; L6-C24 HydrophobicContact CG-CB 4.35Å
25C78.7Confident73.3Confident26 Ų26106.1 Ų106.118%0.17655%0.546CS..EExtended strand (participates in β ladder)trans-128.8118.6-177.9165.30000106F3 I27 C36 I40F3-C25 HydrophobicContact CD1-CB 4.25Å; F3-C25 HydrophobicContact CE1-CB 3.97Å; F3-C25 HydrophobicContact CZ-CB 4.37Å; C25-I27 WeakPolarHBondContact SG-CG2 3.41Å; C25-C36 WeakPolarHBondContact CB-SG 3.26Å; C25-C36 WeakPolarHBondContact SG-CB 3.47Å; C25-C36 CovalentContact SG-SG 2.08Å; C25-C36 PolarHBondContact SG-SG 3.42Å; C25-I40 HydrophobicContact CB-CD1 3.75Å; C25-I40 HydrophobicContact CB-CG1 4.2Å
26A84.3Confident75.3Confident64 Ų6498.1 Ų98.153%0.52951%0.505SS..EExtended strand (participates in β ladder)trans-84.6116.3170.700000107.7M1 R2M1-A26 CarbonylContact C-O 3.47Å; M1-A26 VanDerWaalsContact CA-O 3.25Å; M1-A26 WeakPolarHBondContact CA-O 3.36Å; R2-A26 HydrophobicContact CB-CB 4.4Å; R2-A26 PolarHBondContact N-O 3.33Å; R2-A26 WeakPolarHBondContact O-CB 3.45Å; R2-A26 PolarHBondContact O-N 3.13Å
27I82.4Confident77.2Confident57 Ų5794.3 Ų94.329%0.29249%0.489SS..  trans-112.2153.2178.963.6175.6000109.9M1 C25 D31 E33 C36M1-I27 HydrophobicContact CE-CG2 4.01Å; M1-I27 HydrophobicContact CG-CG2 4.15Å; M1-I27 HydrophobicContact SD-CG2 4.4Å; C25-I27 WeakPolarHBondContact SG-CG2 3.41Å; I27-D31 HydrophobicContact CB-CB 3.89Å; I27-E33 HydrophobicContact CD1-CB 4.37Å; I27-E33 HydrophobicContact CD1-CG 3.69Å; I27-C36 HydrophobicContact CG2-CB 3.49Å; I27-C36 VanDerWaalsContact CG2-CB 3.49Å; I27-C36 WeakPolarHBondContact CG2-SG 3.11Å
28D86.7Confident79.5Confident110 Ų11092.7 Ų92.759%0.58848%0.477SS*.  trans-75.5162.4172-73.7-55.4000110.6D30 D31D28-D30 PolarHBondContact O-N 3.39Å; D28-D31 PolarHBondContact N-OD2 2.88Å; D28-D31 WeakPolarHBondContact O-CB 3.39Å; D28-D31 PolarHBondContact O-N 3.46Å; D28-D31 VanDerWaalsContact O-N 3.1Å
29Q87.6Confident81.8Confident195 Ų19587.3 Ų87.391%0.91146%0.457SS*.THydrogen-bonded Turntrans-62.4-27.8-176.2-173.7175.18.900113.2
30D89Confident83.6Confident162 Ų16281.7 Ų81.787%0.86643%0.427SS*.THydrogen-bonded Turntrans-92.4-5-179.9-61.2-45.9000112.9D28D28-D30 PolarHBondContact O-N 3.39Å
31D86.3Confident85.2Confident49 Ų4981.9 Ų81.926%0.26243%0.425SS..SBendtrans-73.3145.2178.5-79.9-26.7000111M1 I27 D28 E33M1-D31 HydrophobicContact CE-CB 3.85Å; M1-D31 VanDerWaalsContact CG-OD2 3.3Å; M1-D31 WeakPolarHBondContact CG-OD2 3.49Å; I27-D31 HydrophobicContact CB-CB 3.89Å; D28-D31 PolarHBondContact N-OD2 2.88Å; D28-D31 WeakPolarHBondContact O-CB 3.39Å; D28-D31 PolarHBondContact O-N 3.46Å; D28-D31 VanDerWaalsContact O-N 3.1Å; D31-E33 PolarHBondContact O-N 2.98Å
32N87.8Confident86.2Confident83 Ų8384.3 Ų84.344%0.44443%0.428SS..  trans-77.6113175.2-171.4-40.4000110.6L34 I35 C36N32-L34 VanDerWaalsContact C-N 3.25Å; N32-L34 PolarHBondContact O-N 3.36Å; N32-L34 WeakPolarHBondContact OD1-CA 3.5Å; N32-L34 VanDerWaalsContact OD1-CB 3.27Å; N32-L34 WeakPolarHBondContact OD1-CB 3.48Å; N32-L34 PolarHBondContact OD1-N 3.1Å; N32-I35 HydrophobicContact CB-CB 4.14Å; N32-I35 HydrophobicContact CB-CD1 3.73Å; N32-I35 HydrophobicContact CB-CG1 3.79Å; N32-I35 WeakPolarHBondContact O-CB 3.08Å; N32-I35 PolarHBondContact O-N 3.22Å; N32-I35 PolarHBondContact OD1-N 2.92Å; N32-C36 PolarHBondContact O-N 2.94Å
33E89.1Confident87.1Confident143 Ų14378.4 Ų78.467%0.66840%0.404SS*.Hα-helixtrans-52.7-39.8177.3-65.8168.917100113I27 D31 I35 C36 L37I27-E33 HydrophobicContact CD1-CB 4.37Å; I27-E33 HydrophobicContact CD1-CG 3.69Å; D31-E33 PolarHBondContact O-N 2.98Å; E33-I35 VanDerWaalsContact C-N 3.31Å; E33-I35 PolarHBondContact O-N 3.27Å; E33-C36 PolarHBondContact O-N 3.4Å; E33-L37 WeakPolarHBondContact O-CG 3.36Å; E33-L37 PolarHBondContact O-N 3.34Å
34L91.3Very high87.5Confident121 Ų12178 Ų7863%0.63441%0.406SS*.Hα-helixtrans-66.2-35.5178.6-62.2174.7000111.6N32 L37 E38N32-L34 VanDerWaalsContact C-N 3.25Å; N32-L34 PolarHBondContact O-N 3.36Å; N32-L34 WeakPolarHBondContact OD1-CA 3.5Å; N32-L34 VanDerWaalsContact OD1-CB 3.27Å; N32-L34 WeakPolarHBondContact OD1-CB 3.48Å; N32-L34 PolarHBondContact OD1-N 3.1Å; L34-L37 PolarHBondContact O-N 3.04Å; L34-E38 WeakPolarHBondContact O-CG 3.5Å; L34-E38 PolarHBondContact O-N 3.05Å
35I87.6Confident88.1Confident93 Ų9379 Ų7948%0.47741%0.406SS..Hα-helixtrans-66-44.8176.6-64-179.8000109.7N32 E33 L37 E38 I39N32-I35 HydrophobicContact CB-CB 4.14Å; N32-I35 HydrophobicContact CB-CD1 3.73Å; N32-I35 HydrophobicContact CB-CG1 3.79Å; N32-I35 WeakPolarHBondContact O-CB 3.08Å; N32-I35 PolarHBondContact O-N 3.22Å; N32-I35 PolarHBondContact OD1-N 2.92Å; E33-I35 VanDerWaalsContact C-N 3.31Å; E33-I35 PolarHBondContact O-N 3.27Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.85Å; I35-E38 PolarHBondContact O-N 3.39Å; I35-I39 HydrophobicContact CG2-CD1 3.85Å; I35-I39 HydrophobicContact CG2-CG1 4.37Å; I35-I39 VanDerWaalsContact O-CG1 3.24Å; I35-I39 WeakPolarHBondContact O-CG1 3.47Å; I35-I39 PolarHBondContact O-N 3.02Å
36C86.6Confident88.7Confident8 Ų877.8 Ų77.85%0.05440%0.397CS..Hα-helixtrans-62.6-39.9176.21610000111.9M1 C25 I27 N32 E33 E38 I39 I40M1-C36 HydrophobicContact CE-CB 3.85Å; M1-C36 HydrophobicContact SD-CB 4.26Å; C25-C36 WeakPolarHBondContact CB-SG 3.26Å; C25-C36 WeakPolarHBondContact SG-CB 3.47Å; C25-C36 CovalentContact SG-SG 2.08Å; C25-C36 PolarHBondContact SG-SG 3.42Å; I27-C36 HydrophobicContact CG2-CB 3.49Å; I27-C36 VanDerWaalsContact CG2-CB 3.49Å; I27-C36 WeakPolarHBondContact CG2-SG 3.11Å; N32-C36 PolarHBondContact O-N 2.94Å; E33-C36 PolarHBondContact O-N 3.4Å; C36-E38 PolarHBondContact O-N 2.92Å; C36-I39 PolarHBondContact O-N 3.17Å; C36-I40 WeakPolarHBondContact O-CG1 3.38Å; C36-I40 PolarHBondContact O-N 2.92Å
37L88.2Confident89Confident88 Ų8874.8 Ų74.846%0.46137%0.372SS..Hα-helixtrans-60.9-44174-72.5173.7000112.3E33 L34 I35 I39 I40 H41E33-L37 WeakPolarHBondContact O-CG 3.36Å; E33-L37 PolarHBondContact O-N 3.34Å; L34-L37 PolarHBondContact O-N 3.04Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.85Å; L37-I39 VanDerWaalsContact C-N 3.31Å; L37-I39 PolarHBondContact O-N 2.62Å; L37-I40 PolarHBondContact O-N 3Å; L37-H41 PolarHBondContact O-N 2.95Å
38E90.7Very high89.4Confident113 Ų11375.6 Ų75.653%0.52838%0.377SS..Hα-helixtrans-65-35.1176.6-75.4-62.3106.600112.6L34 I35 C36 H41 R42L34-E38 WeakPolarHBondContact O-CG 3.5Å; L34-E38 PolarHBondContact O-N 3.05Å; I35-E38 PolarHBondContact O-N 3.39Å; C36-E38 PolarHBondContact O-N 2.92Å; E38-H41 PolarHBondContact O-N 3.17Å; E38-H41 IonicContact OE1-ND1 3.35Å; E38-H41 PolarHBondContact OE1-ND1 3.26Å; E38-R42 WeakPolarHBondContact O-CB 3.46Å; E38-R42 PolarHBondContact O-N 3.16Å
39I89.5Confident89.7Confident14 Ų1475.4 Ų75.47%0.07237%0.371CS..Hα-helixtrans-65-45.7173.7-68.6167.8000110.5M1 F3 I35 C36 L37 H41 R42 F43 F73 M74 V79M1-I39 HydrophobicContact SD-CD1 3.92Å; F3-I39 HydrophobicContact CE1-CG2 3.76Å; F3-I39 HydrophobicContact CE2-CG2 4.19Å; F3-I39 HydrophobicContact CZ-CB 4.12Å; F3-I39 HydrophobicContact CZ-CG2 3.31Å; I35-I39 HydrophobicContact CG2-CD1 3.85Å; I35-I39 HydrophobicContact CG2-CG1 4.37Å; I35-I39 VanDerWaalsContact O-CG1 3.24Å; I35-I39 WeakPolarHBondContact O-CG1 3.47Å; I35-I39 PolarHBondContact O-N 3.02Å; C36-I39 PolarHBondContact O-N 3.17Å; L37-I39 VanDerWaalsContact C-N 3.31Å; L37-I39 PolarHBondContact O-N 2.62Å; I39-H41 PolarHBondContact O-N 3.39Å; I39-R42 PolarHBondContact O-N 3.5Å; I39-F43 WeakPolarHBondContact O-CB 3.41Å; I39-F43 PolarHBondContact O-N 3.48Å; I39-F73 HydrophobicContact CG2-CE1 3.72Å; I39-F73 HydrophobicContact CG2-CZ 4.1Å; I39-M74 HydrophobicContact CG2-CE 4.2Å; I39-M74 HydrophobicContact CG2-SD 3.38Å; I39-M74 WeakPolarHBondContact CG2-SD 3.39Å; I39-V79 HydrophobicContact CD1-CG2 3.91Å; I39-V79 HydrophobicContact CG1-CG2 3.83Å
40I89.9Confident89.8Confident23 Ų2368.6 Ų68.612%0.11834%0.337CS..Hα-helixtrans-58.3-49.9175-68.4167.5000110.1F3 F23 C25 C36 L37 R42 F43 V44F3-I40 HydrophobicContact CE1-CG1 3.97Å; F23-I40 HydrophobicContact CB-CG2 3.59Å; F23-I40 HydrophobicContact CD2-CG2 4.49Å; F23-I40 HydrophobicContact CG-CG2 4Å; C25-I40 HydrophobicContact CB-CD1 3.75Å; C25-I40 HydrophobicContact CB-CG1 4.2Å; C36-I40 WeakPolarHBondContact O-CG1 3.38Å; C36-I40 PolarHBondContact O-N 2.92Å; L37-I40 PolarHBondContact O-N 3Å; I40-R42 VanDerWaalsContact C-N 3.3Å; I40-R42 PolarHBondContact O-N 3.31Å; I40-F43 PolarHBondContact O-N 2.92Å; I40-V44 HydrophobicContact CG2-CG2 4.46Å; I40-V44 WeakPolarHBondContact O-CG2 3.23Å; I40-V44 PolarHBondContact O-N 3.37Å
41H90.2Very high89.8Confident104 Ų10463.2 Ų63.248%0.48131%0.307SS..Hα-helixtrans-56.4-45.7178.5-71.2164.4000111.7L37 E38 I39 F43 V44 E45L37-H41 PolarHBondContact O-N 2.95Å; E38-H41 PolarHBondContact O-N 3.17Å; E38-H41 IonicContact OE1-ND1 3.35Å; E38-H41 PolarHBondContact OE1-ND1 3.26Å; I39-H41 PolarHBondContact O-N 3.39Å; H41-F43 PolarHBondContact O-N 3.16Å; H41-V44 PolarHBondContact O-N 2.91Å; H41-E45 WeakPolarHBondContact O-CG 3.45Å; H41-E45 PolarHBondContact O-N 3.14Å
42R90.7Very high89.9Confident80 Ų8063.7 Ų63.730%0.30232%0.323SS..Hα-helixtrans-64-40.1178.4-175.8165.2-64.8170.66.8112.5E38 I39 I40 E45 L46 F73 T82 K84E38-R42 WeakPolarHBondContact O-CB 3.46Å; E38-R42 PolarHBondContact O-N 3.16Å; I39-R42 PolarHBondContact O-N 3.5Å; I40-R42 VanDerWaalsContact C-N 3.3Å; I40-R42 PolarHBondContact O-N 3.31Å; R42-E45 PolarHBondContact O-N 3.35Å; R42-L46 HydrophobicContact CG-CD1 4.45Å; R42-L46 WeakPolarHBondContact O-CG 3.44Å; R42-L46 PolarHBondContact O-N 2.92Å; R42-F73 HydrophobicContact CB-CE1 4.4Å; R42-F73 HydrophobicContact CB-CZ 3.88Å; R42-F73 VanDerWaalsContact CD-CE2 3.45Å; R42-F73 HydrophobicContact CG-CE1 4.41Å; R42-F73 HydrophobicContact CG-CE2 3.85Å; R42-F73 HydrophobicContact CG-CZ 3.68Å; R42-T82 PolarHBondContact NH1-O 2.86Å; R42-K84 HydrophobicContact CG-CD 4.31Å; R42-K84 HydrophobicContact CG-CG 4.18Å
43F91.3Very high89.8Confident2 Ų264 Ų641%0.00933%0.331CS..Hα-helixtrans-63.1-43176.5-179.7-116.1000111.6L5 F23 I39 I40 H41 E45 L46 L47 A66 I69 L70 F73L5-F43 HydrophobicContact CD1-CE1 4.19Å; L5-F43 HydrophobicContact CD1-CZ 4.4Å; L5-F43 HydrophobicContact CD2-CD1 4.47Å; L5-F43 HydrophobicContact CD2-CE1 3.77Å; F23-F43 HydrophobicContact CD1-CD1 4.32Å; F23-F43 HydrophobicContact CE1-CD1 4.08Å; F23-F43 HydrophobicContact CE1-CE1 4.09Å; I39-F43 WeakPolarHBondContact O-CB 3.41Å; I39-F43 PolarHBondContact O-N 3.48Å; I40-F43 PolarHBondContact O-N 2.92Å; H41-F43 PolarHBondContact O-N 3.16Å; F43-E45 VanDerWaalsContact C-N 3.34Å; F43-E45 PolarHBondContact O-N 3.26Å; F43-L46 WeakPolarHBondContact O-CB 3.29Å; F43-L46 PolarHBondContact O-N 2.64Å; F43-L46 VanDerWaalsContact O-N 3.14Å; F43-L47 HydrophobicContact CD1-CD1 3.96Å; F43-L47 HydrophobicContact CE1-CD1 3.48Å; F43-L47 VanDerWaalsContact CE1-CD1 3.48Å; F43-L47 HydrophobicContact CE1-CG 4.11Å; F43-L47 HydrophobicContact CE2-CD1 4.43Å; F43-L47 HydrophobicContact CE2-CD2 4.25Å; F43-L47 HydrophobicContact CE2-CG 4.18Å; F43-L47 HydrophobicContact CZ-CD1 3.76Å; F43-L47 HydrophobicContact CZ-CD2 3.93Å; F43-L47 HydrophobicContact CZ-CG 3.93Å; F43-L47 WeakPolarHBondContact O-CG 3.42Å; F43-L47 PolarHBondContact O-N 3.46Å; F43-A66 WeakPolarHBondContact CZ-O 3.32Å; F43-I69 HydrophobicContact CD2-CG2 4.48Å; F43-I69 HydrophobicContact CE2-CB 4.41Å; F43-I69 HydrophobicContact CE2-CG2 4Å; F43-L70 HydrophobicContact CD1-CD1 4.31Å; F43-L70 HydrophobicContact CD2-CB 4.31Å; F43-L70 HydrophobicContact CD2-CD1 3.62Å; F43-L70 HydrophobicContact CE1-CD1 4.31Å; F43-L70 HydrophobicContact CE2-CB 3.54Å; F43-L70 HydrophobicContact CE2-CD1 3.63Å; F43-L70 HydrophobicContact CE2-CG 4.18Å; F43-L70 HydrophobicContact CG-CD1 3.97Å; F43-L70 HydrophobicContact CZ-CB 3.86Å; F43-L70 HydrophobicContact CZ-CD1 3.98Å; F43-L70 HydrophobicContact CZ-CG 4.4Å; F43-F73 HydrophobicContact CB-CD1 4.18Å; F43-F73 HydrophobicContact CB-CE1 4.07Å; F43-F73 HydrophobicContact CD2-CD1 4.2Å
44V90.2Very high89.7Confident46 Ų4658.9 Ų58.928%0.27931%0.31SS..Hα-helixtrans-61.1-42174.5176.80000111.6F23 I40 H41 L46 L47 D48F23-V44 HydrophobicContact CD1-CG2 4.29Å; F23-V44 HydrophobicContact CD2-CG2 3.86Å; F23-V44 HydrophobicContact CE1-CG2 3.94Å; F23-V44 HydrophobicContact CE2-CG2 3.47Å; F23-V44 VanDerWaalsContact CE2-CG2 3.47Å; F23-V44 HydrophobicContact CG-CG2 4.27Å; F23-V44 HydrophobicContact CZ-CG2 3.54Å; I40-V44 HydrophobicContact CG2-CG2 4.46Å; I40-V44 WeakPolarHBondContact O-CG2 3.23Å; I40-V44 PolarHBondContact O-N 3.37Å; H41-V44 PolarHBondContact O-N 2.91Å; V44-L46 VanDerWaalsContact C-N 3.3Å; V44-L46 PolarHBondContact O-N 2.77Å; V44-L47 PolarHBondContact O-N 3.24Å; V44-D48 WeakPolarHBondContact O-CB 3.38Å; V44-D48 PolarHBondContact O-N 3.33Å
45E91.6Very high89.3Confident79 Ų7955.4 Ų55.437%0.36930%0.295SS..Hα-helixtrans-63.8-33.4175.2-69.9-177110.300113.2H41 R42 F43 K49 K84H41-E45 WeakPolarHBondContact O-CG 3.45Å; H41-E45 PolarHBondContact O-N 3.14Å; R42-E45 PolarHBondContact O-N 3.35Å; F43-E45 VanDerWaalsContact C-N 3.34Å; F43-E45 PolarHBondContact O-N 3.26Å; E45-K49 VanDerWaalsContact O-CG 3.29Å; E45-K49 WeakPolarHBondContact O-CG 2.78Å; E45-K49 PolarHBondContact O-N 3.11Å; E45-K49 VanDerWaalsContact O-N 3.16Å; E45-K84 HydrophobicContact CB-CD 4.43Å; E45-K84 IonicContact OE1-NZ 2.77Å; E45-K84 PolarHBondContact OE1-NZ 3.06Å; E45-K84 WeakPolarHBondContact OE2-CD 3.24Å; E45-K84 IonicContact OE2-NZ 2.64Å; E45-K84 PolarHBondContact OE2-NZ 2.93Å
46L91.9Very high89.1Confident0 Ų053.8 Ų53.80%029%0.286CS..Hα-helixtrans-69.3-45.4176.3-73169.2000110.7R42 F43 V44 D48 K49 Y50 I69 F73 K84 V87 L88R42-L46 HydrophobicContact CG-CD1 4.45Å; R42-L46 WeakPolarHBondContact O-CG 3.44Å; R42-L46 PolarHBondContact O-N 2.92Å; F43-L46 WeakPolarHBondContact O-CB 3.29Å; F43-L46 PolarHBondContact O-N 2.64Å; F43-L46 VanDerWaalsContact O-N 3.14Å; V44-L46 VanDerWaalsContact C-N 3.3Å; V44-L46 PolarHBondContact O-N 2.77Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 3.45Å; L46-K49 PolarHBondContact O-N 3.02Å; L46-Y50 WeakPolarHBondContact O-CB 3.17Å; L46-Y50 PolarHBondContact O-N 2.77Å; L46-I69 HydrophobicContact CB-CG2 4.04Å; L46-F73 HydrophobicContact CD1-CB 3.88Å; L46-F73 HydrophobicContact CD1-CD1 4.08Å; L46-F73 HydrophobicContact CD1-CD2 3.82Å; L46-F73 HydrophobicContact CD1-CE2 4.45Å; L46-F73 HydrophobicContact CD1-CG 3.64Å; L46-K84 HydrophobicContact CD2-CB 4.19Å; L46-K84 HydrophobicContact CD2-CG 4.25Å; L46-V87 HydrophobicContact CD1-CB 4.5Å; L46-V87 HydrophobicContact CD1-CG1 3.82Å; L46-V87 HydrophobicContact CD2-CB 4Å; L46-V87 HydrophobicContact CD2-CG1 3.81Å; L46-V87 HydrophobicContact CG-CG1 4.44Å; L46-L88 HydrophobicContact CD2-CD2 4.25Å; L46-L88 HydrophobicContact CD2-CG 4.04Å
47L90.9Very high88.9Confident0 Ų057.8 Ų57.80%031%0.306CS..Hα-helixtrans-58.2-46.7174-69.1173.4000111.4F23 F43 V44 K49 Y50 F51 V54 I59 A66 I69F23-L47 HydrophobicContact CE1-CD1 4.18Å; F23-L47 HydrophobicContact CZ-CD1 4.33Å; F43-L47 HydrophobicContact CD1-CD1 3.96Å; F43-L47 HydrophobicContact CE1-CD1 3.48Å; F43-L47 VanDerWaalsContact CE1-CD1 3.48Å; F43-L47 HydrophobicContact CE1-CG 4.11Å; F43-L47 HydrophobicContact CE2-CD1 4.43Å; F43-L47 HydrophobicContact CE2-CD2 4.25Å; F43-L47 HydrophobicContact CE2-CG 4.18Å; F43-L47 HydrophobicContact CZ-CD1 3.76Å; F43-L47 HydrophobicContact CZ-CD2 3.93Å; F43-L47 HydrophobicContact CZ-CG 3.93Å; F43-L47 WeakPolarHBondContact O-CG 3.42Å; F43-L47 PolarHBondContact O-N 3.46Å; V44-L47 PolarHBondContact O-N 3.24Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.15Å; L47-Y50 PolarHBondContact O-N 3.04Å; L47-Y50 VanDerWaalsContact O-N 3.16Å; L47-F51 HydrophobicContact CD2-CE2 3.99Å; L47-F51 VanDerWaalsContact O-CD2 3.32Å; L47-F51 WeakPolarHBondContact O-CD2 3.13Å; L47-F51 PolarHBondContact O-N 3.45Å; L47-V54 HydrophobicContact CB-CB 4.38Å; L47-V54 HydrophobicContact CB-CG1 4.22Å; L47-V54 HydrophobicContact CB-CG2 4.24Å; L47-I59 HydrophobicContact CD1-CD1 4.09Å; L47-A66 HydrophobicContact CD2-CB 3.95Å; L47-I69 HydrophobicContact CD2-CD1 3.9Å; L47-I69 HydrophobicContact CD2-CG2 4.43Å
48D91.3Very high88.8Confident75 Ų7555.9 Ų55.940%0.40130%0.296SS..Hα-helixtrans-60.3-41.4180-170.458.7000112.2V44 L46 G52 S53 V54V44-D48 WeakPolarHBondContact O-CB 3.38Å; V44-D48 PolarHBondContact O-N 3.33Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 3.45Å; D48-G52 WeakPolarHBondContact O-CA 3Å; D48-G52 PolarHBondContact O-N 2.96Å; D48-S53 WeakPolarHBondContact OD1-CA 3.27Å; D48-V54 HydrophobicContact CB-CG1 4.02Å; D48-V54 PolarHBondContact OD1-N 3.08Å; D48-V54 VanDerWaalsContact OD1-N 3.14Å
49K91.2Very high88.6Confident105 Ų10550.6 Ų50.646%0.45727%0.272SS..Hα-helixtrans-70.3-32.8176.5-73.7177.9-175.5-178.40113.6E45 L46 L47 L88E45-K49 VanDerWaalsContact O-CG 3.29Å; E45-K49 WeakPolarHBondContact O-CG 2.78Å; E45-K49 PolarHBondContact O-N 3.11Å; E45-K49 VanDerWaalsContact O-N 3.16Å; L46-K49 PolarHBondContact O-N 3.02Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.15Å; K49-L88 HydrophobicContact CB-CD1 3.85Å; K49-L88 HydrophobicContact CB-CD2 4.04Å; K49-L88 HydrophobicContact CD-CD1 3.55Å; K49-L88 HydrophobicContact CG-CD1 4.35Å
50Y91.1Very high88.4Confident52 Ų5253.9 Ų53.920%0.20429%0.288CS..Hα-helixtrans-72.2-47.9178.1-177.9-94.1000111.7L46 L47 K65 I69 I91 D95L46-Y50 WeakPolarHBondContact O-CB 3.17Å; L46-Y50 PolarHBondContact O-N 2.77Å; L47-Y50 PolarHBondContact O-N 3.04Å; L47-Y50 VanDerWaalsContact O-N 3.16Å; Y50-K65 HydrophobicContact CE1-CB 4.32Å; Y50-K65 HydrophobicContact CE1-CD 4.11Å; Y50-K65 PolarHBondContact OH-NZ 3.49Å; Y50-I69 HydrophobicContact CD1-CD1 3.51Å; Y50-I69 HydrophobicContact CD2-CD1 3.95Å; Y50-I69 HydrophobicContact CD2-CG1 4.41Å; Y50-I69 HydrophobicContact CE1-CD1 4.04Å; Y50-I69 HydrophobicContact CE2-CD1 4.43Å; Y50-I69 HydrophobicContact CG-CD1 3.45Å; Y50-I69 VanDerWaalsContact CG-CD1 3.45Å; Y50-I69 HydrophobicContact CG-CG1 4.36Å; Y50-I91 HydrophobicContact CD2-CG2 3.55Å; Y50-I91 HydrophobicContact CE2-CG2 3.39Å; Y50-D95 WeakPolarHBondContact CE2-OD2 3.43Å; Y50-D95 VanDerWaalsContact CZ-OD2 3.27Å; Y50-D95 PolarHBondContact OH-OD1 2.08Å; Y50-D95 PolarHBondContact OH-OD2 3.04Å
51F89.1Confident88.2Confident50 Ų5060 Ų6022%0.21931%0.314CS..Hα-helixtrans-84.7-12.6-178.3-69.2-73.9000114L47 S53 V54 D58 N62 K65 I69L47-F51 HydrophobicContact CD2-CE2 3.99Å; L47-F51 VanDerWaalsContact O-CD2 3.32Å; L47-F51 WeakPolarHBondContact O-CD2 3.13Å; L47-F51 PolarHBondContact O-N 3.45Å; F51-S53 PolarHBondContact O-N 3.33Å; F51-V54 HydrophobicContact CB-CB 4.14Å; F51-V54 HydrophobicContact CB-CG2 4.43Å; F51-V54 HydrophobicContact CD2-CB 4.2Å; F51-V54 HydrophobicContact CD2-CG2 3.76Å; F51-V54 HydrophobicContact CE2-CG2 4.44Å; F51-V54 HydrophobicContact CG-CG2 4.32Å; F51-D58 HydrophobicContact CD1-CB 3.89Å; F51-D58 HydrophobicContact CE1-CB 4.08Å; F51-D58 HydrophobicContact CG-CB 4.13Å; F51-D58 HydrophobicContact CZ-CB 4.48Å; F51-N62 HydrophobicContact CE1-CB 4.13Å; F51-N62 HydrophobicContact CZ-CB 4.15Å; F51-K65 HydrophobicContact CZ-CB 4.39Å; F51-I69 HydrophobicContact CE2-CD1 4.39Å
52G88.1Confident88Confident58 Ų5857.8 Ų57.860%0.59831%0.306SS*.SBendtrans79.1-6.117900000115D48D48-G52 WeakPolarHBondContact O-CA 3Å; D48-G52 PolarHBondContact O-N 2.96Å
53S85.6Confident87.9Confident89 Ų8958.9 Ų58.962%0.62231%0.313SS*.SBendtrans173.189.9163.1-76.60000105.2D48 F51 C55D48-S53 WeakPolarHBondContact OD1-CA 3.27Å; F51-S53 PolarHBondContact O-N 3.33Å; S53-C55 PolarHBondContact O-N 3.34Å
54V86.1Confident87.9Confident37 Ų3765.7 Ų65.722%0.22435%0.345CS..  trans-68.4130-170.565.70000110.7L47 D48 F51 D58 I59L47-V54 HydrophobicContact CB-CB 4.38Å; L47-V54 HydrophobicContact CB-CG1 4.22Å; L47-V54 HydrophobicContact CB-CG2 4.24Å; D48-V54 HydrophobicContact CB-CG1 4.02Å; D48-V54 PolarHBondContact OD1-N 3.08Å; D48-V54 VanDerWaalsContact OD1-N 3.14Å; F51-V54 HydrophobicContact CB-CB 4.14Å; F51-V54 HydrophobicContact CB-CG2 4.43Å; F51-V54 HydrophobicContact CD2-CB 4.2Å; F51-V54 HydrophobicContact CD2-CG2 3.76Å; F51-V54 HydrophobicContact CE2-CG2 4.44Å; F51-V54 HydrophobicContact CG-CG2 4.32Å; V54-D58 HydrophobicContact CG2-CB 4.38Å; V54-I59 HydrophobicContact CG2-CD1 3.98Å; V54-I59 HydrophobicContact CG2-CG1 3.72Å
55C84.3Confident87.8Confident48 Ų4867.7 Ų67.732%0.32435%0.35SS..  trans-112.1162.3164.671.60000111.1S53 L57 D58S53-C55 PolarHBondContact O-N 3.34Å; C55-L57 PolarHBondContact O-N 3.13Å; C55-L57 VanDerWaalsContact O-N 3.11Å; C55-D58 PolarHBondContact N-OD2 3.41Å; C55-D58 WeakPolarHBondContact O-CB 3.42Å; C55-D58 PolarHBondContact O-N 3Å; C55-D58 VanDerWaalsContact SG-CG 3.53Å; C55-D58 PolarHBondContact SG-OD2 3.14Å
56E81.8Confident87.8Confident59 Ų5964 Ų6428%0.27633%0.333SS..Hα-helixtrans-56.4-29.5177.965.7-78.6-17900112.6W18 N19 I59 I60W18-E56 VanDerWaalsContact O-OE1 3.1Å; N19-E56 WeakPolarHBondContact CA-OE2 3.42Å; E56-I59 PolarHBondContact O-N 3.3Å; E56-I60 WeakPolarHBondContact O-CD1 2.88Å; E56-I60 VanDerWaalsContact O-CG1 3.24Å; E56-I60 WeakPolarHBondContact O-CG1 3.35Å; E56-I60 PolarHBondContact O-N 3.44Å
57L83.9Confident87.7Confident92 Ų9268.5 Ų68.548%0.48235%0.35SS..Hα-helixtrans-67.6-38.5178.9-160.165.3000111.6C55 I59 I60 F61C55-L57 PolarHBondContact O-N 3.13Å; C55-L57 VanDerWaalsContact O-N 3.11Å; L57-I59 VanDerWaalsContact C-N 3.28Å; L57-I59 PolarHBondContact O-N 3.01Å; L57-I60 PolarHBondContact O-N 2.84Å; L57-F61 HydrophobicContact CD1-CD2 3.88Å; L57-F61 HydrophobicContact CD1-CE2 3.42Å; L57-F61 VanDerWaalsContact CD1-CE2 3.42Å; L57-F61 HydrophobicContact CD1-CZ 4.49Å; L57-F61 HydrophobicContact CD2-CD2 4.44Å; L57-F61 HydrophobicContact CD2-CE2 4.04Å; L57-F61 HydrophobicContact CG-CD2 3.65Å; L57-F61 HydrophobicContact CG-CE2 3.53Å; L57-F61 VanDerWaalsContact O-CD2 3.31Å; L57-F61 WeakPolarHBondContact O-CD2 3.47Å; L57-F61 PolarHBondContact O-N 2.91Å
58D85.8Confident87.7Confident47 Ų4770 Ų7025%0.25136%0.357SS..Hα-helixtrans-61.4-42177.5-62.7-43.5000110.8F51 V54 C55 N62F51-D58 HydrophobicContact CD1-CB 3.89Å; F51-D58 HydrophobicContact CE1-CB 4.08Å; F51-D58 HydrophobicContact CG-CB 4.13Å; F51-D58 HydrophobicContact CZ-CB 4.48Å; V54-D58 HydrophobicContact CG2-CB 4.38Å; C55-D58 PolarHBondContact N-OD2 3.41Å; C55-D58 WeakPolarHBondContact O-CB 3.42Å; C55-D58 PolarHBondContact O-N 3Å; C55-D58 VanDerWaalsContact SG-CG 3.53Å; C55-D58 PolarHBondContact SG-OD2 3.14Å; D58-N62 WeakPolarHBondContact O-CA 3.39Å; D58-N62 VanDerWaalsContact O-CB 3.24Å; D58-N62 WeakPolarHBondContact O-CB 3.18Å; D58-N62 PolarHBondContact O-N 3.19Å; D58-N62 PolarHBondContact O-ND2 3.36Å; D58-N62 VanDerWaalsContact O-ND2 3.13Å
59I85.5Confident87.7Confident3 Ų366.4 Ų66.42%0.01534%0.338CS..Hα-helixtrans-72.4-35.5179.9-42.6174.6000110.8F7 F23 L47 V54 E56 L57 N62 F63 A66F7-I59 HydrophobicContact CE1-CB 3.76Å; F7-I59 HydrophobicContact CE1-CD1 4.34Å; F7-I59 HydrophobicContact CE1-CG2 3.82Å; F7-I59 HydrophobicContact CE2-CG2 4.24Å; F7-I59 HydrophobicContact CZ-CB 3.76Å; F7-I59 HydrophobicContact CZ-CG2 3.26Å; F23-I59 HydrophobicContact CZ-CD1 4.35Å; L47-I59 HydrophobicContact CD1-CD1 4.09Å; V54-I59 HydrophobicContact CG2-CD1 3.98Å; V54-I59 HydrophobicContact CG2-CG1 3.72Å; E56-I59 PolarHBondContact O-N 3.3Å; L57-I59 VanDerWaalsContact C-N 3.28Å; L57-I59 PolarHBondContact O-N 3.01Å; I59-N62 CarbonylContact O-C 3.6Å; I59-F63 WeakPolarHBondContact O-CA 3.49Å; I59-F63 WeakPolarHBondContact O-CB 3.31Å; I59-F63 PolarHBondContact O-N 2.98Å; I59-A66 HydrophobicContact CG2-CB 3.65Å
60I85.7Confident87.7Confident82 Ų8262 Ų6242%0.42132%0.319SS..Hα-helixtrans-66.1-44.4176.3-70.7166.2000111.4F7 E56 L57F7-I60 HydrophobicContact CD1-CD1 4.36Å; F7-I60 HydrophobicContact CD1-CG1 3.84Å; F7-I60 HydrophobicContact CE1-CG1 4.35Å; F7-I60 HydrophobicContact CG-CG1 4.12Å; E56-I60 WeakPolarHBondContact O-CD1 2.88Å; E56-I60 VanDerWaalsContact O-CG1 3.24Å; E56-I60 WeakPolarHBondContact O-CG1 3.35Å; E56-I60 PolarHBondContact O-N 3.44Å; L57-I60 PolarHBondContact O-N 2.84Å
61F85.9Confident87.7Confident151 Ų15164.4 Ų64.466%0.66234%0.336SS*.Hα-helixtrans-79.6-31.2-179.4-79-71.6000113.3L57L57-F61 HydrophobicContact CD1-CD2 3.88Å; L57-F61 HydrophobicContact CD1-CE2 3.42Å; L57-F61 VanDerWaalsContact CD1-CE2 3.42Å; L57-F61 HydrophobicContact CD1-CZ 4.49Å; L57-F61 HydrophobicContact CD2-CD2 4.44Å; L57-F61 HydrophobicContact CD2-CE2 4.04Å; L57-F61 HydrophobicContact CG-CD2 3.65Å; L57-F61 HydrophobicContact CG-CE2 3.53Å; L57-F61 VanDerWaalsContact O-CD2 3.31Å; L57-F61 WeakPolarHBondContact O-CD2 3.47Å; L57-F61 PolarHBondContact O-N 2.91Å
62N86.6Confident87.8Confident59 Ų5964.4 Ų64.432%0.31634%0.336SS..THydrogen-bonded Turntrans-11946.6-176.6-52-77.4000111F51 D58 I59 E64 K65 A66F51-N62 HydrophobicContact CE1-CB 4.13Å; F51-N62 HydrophobicContact CZ-CB 4.15Å; D58-N62 WeakPolarHBondContact O-CA 3.39Å; D58-N62 VanDerWaalsContact O-CB 3.24Å; D58-N62 WeakPolarHBondContact O-CB 3.18Å; D58-N62 PolarHBondContact O-N 3.19Å; D58-N62 PolarHBondContact O-ND2 3.36Å; D58-N62 VanDerWaalsContact O-ND2 3.13Å; I59-N62 CarbonylContact O-C 3.6Å; N62-E64 PolarHBondContact O-N 2.98Å; N62-K65 HydrophobicContact CB-CB 4.16Å; N62-K65 HydrophobicContact CB-CD 4.12Å; N62-K65 HydrophobicContact CB-CG 4.2Å; N62-K65 PolarHBondContact O-N 3.42Å; N62-K65 VanDerWaalsContact O-N 3.15Å; N62-A66 PolarHBondContact O-N 3.47Å; N62-A66 VanDerWaalsContact O-N 3.08Å
63F88.3Confident88Confident103 Ų10361.6 Ų61.645%0.45231%0.308SS..Hα-helixtrans-60.5-36-17968.5-89.4000111.4I59 K65 A66 Y67I59-F63 WeakPolarHBondContact O-CA 3.49Å; I59-F63 WeakPolarHBondContact O-CB 3.31Å; I59-F63 PolarHBondContact O-N 2.98Å; F63-K65 VanDerWaalsContact C-N 3.33Å; F63-K65 PolarHBondContact O-N 3.06Å; F63-A66 PolarHBondContact O-N 3.11Å; F63-A66 VanDerWaalsContact O-N 3.13Å; F63-Y67 HydrophobicContact CB-CD2 4.4Å; F63-Y67 HydrophobicContact CB-CE2 4.29Å; F63-Y67 AromaticContact CD2-CD2 3.96Å; F63-Y67 HydrophobicContact CD2-CD2 3.96Å; F63-Y67 AromaticContact CD2-CE2 3.99Å; F63-Y67 HydrophobicContact CD2-CE2 3.99Å; F63-Y67 WeakPolarHBondContact O-CD2 3.31Å; F63-Y67 PolarHBondContact O-N 3.36Å
64E90.2Very high88.2Confident144 Ų14458 Ų5867%0.67328%0.281SS*.Hα-helixtrans-57.6-45.8176.2-62.6179.8167.900111.3N62 A66 Y67 F68N62-E64 PolarHBondContact O-N 2.98Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3.31Å; E64-Y67 PolarHBondContact O-N 3.42Å; E64-F68 WeakPolarHBondContact O-CB 3.38Å; E64-F68 PolarHBondContact O-N 3.09Å
65K89.2Confident88.4Confident89 Ų8961.7 Ų61.739%0.38730%0.299SS..Hα-helixtrans-63.8-40.1175.2-61.7-170.3168-145.40112Y50 F51 N62 F63 F68 I69Y50-K65 HydrophobicContact CE1-CB 4.32Å; Y50-K65 HydrophobicContact CE1-CD 4.11Å; Y50-K65 PolarHBondContact OH-NZ 3.49Å; F51-K65 HydrophobicContact CZ-CB 4.39Å; N62-K65 HydrophobicContact CB-CB 4.16Å; N62-K65 HydrophobicContact CB-CD 4.12Å; N62-K65 HydrophobicContact CB-CG 4.2Å; N62-K65 PolarHBondContact O-N 3.42Å; N62-K65 VanDerWaalsContact O-N 3.15Å; F63-K65 VanDerWaalsContact C-N 3.33Å; F63-K65 PolarHBondContact O-N 3.06Å; K65-F68 WeakPolarHBondContact O-CB 3.44Å; K65-F68 PolarHBondContact O-N 3.24Å; K65-I69 WeakPolarHBondContact O-CD1 3.47Å; K65-I69 WeakPolarHBondContact O-CG1 3.35Å; K65-I69 PolarHBondContact O-N 3.49Å
66A90.4Very high88.5Confident0 Ų063.4 Ų63.40%033%0.325CS..Hα-helixtrans-66.1-38.8177.500000112.7F43 L47 I59 N62 F63 E64 L70F43-A66 WeakPolarHBondContact CZ-O 3.32Å; L47-A66 HydrophobicContact CD2-CB 3.95Å; I59-A66 HydrophobicContact CG2-CB 3.65Å; N62-A66 PolarHBondContact O-N 3.47Å; N62-A66 VanDerWaalsContact O-N 3.08Å; F63-A66 PolarHBondContact O-N 3.11Å; F63-A66 VanDerWaalsContact O-N 3.13Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3.31Å; A66-L70 PolarHBondContact O-N 3.17Å; A66-L70 VanDerWaalsContact O-N 3.1Å
67Y90.5Very high88.7Confident95 Ų9561.3 Ų61.337%0.37332%0.319SS..Hα-helixtrans-67.5-40172.6-78.1-67.3000111.7F63 E64 I69 L70 D71F63-Y67 HydrophobicContact CB-CD2 4.4Å; F63-Y67 HydrophobicContact CB-CE2 4.29Å; F63-Y67 AromaticContact CD2-CD2 3.96Å; F63-Y67 HydrophobicContact CD2-CD2 3.96Å; F63-Y67 AromaticContact CD2-CE2 3.99Å; F63-Y67 HydrophobicContact CD2-CE2 3.99Å; F63-Y67 WeakPolarHBondContact O-CD2 3.31Å; F63-Y67 PolarHBondContact O-N 3.36Å; E64-Y67 PolarHBondContact O-N 3.42Å; Y67-I69 PolarHBondContact O-N 3.23Å; Y67-L70 HydrophobicContact CD1-CD2 4.38Å; Y67-L70 WeakPolarHBondContact O-CA 3.24Å; Y67-L70 VanDerWaalsContact O-CB 3.3Å; Y67-L70 WeakPolarHBondContact O-CB 3.42Å; Y67-L70 PolarHBondContact O-N 2.93Å; Y67-D71 PolarHBondContact O-N 3.03Å
68F90.7Very high88.8Confident31 Ų3163.6 Ų63.614%0.13633%0.327CS..Hα-helixtrans-58.4-47174.9174.3-115000112.3E64 K65 L70 D71 E72 I91 E94E64-F68 WeakPolarHBondContact O-CB 3.38Å; E64-F68 PolarHBondContact O-N 3.09Å; K65-F68 WeakPolarHBondContact O-CB 3.44Å; K65-F68 PolarHBondContact O-N 3.24Å; F68-L70 PolarHBondContact O-N 3.28Å; F68-D71 PolarHBondContact O-N 3.21Å; F68-E72 PolarHBondContact O-N 2.86Å; F68-I91 HydrophobicContact CD1-CG2 4.35Å; F68-I91 HydrophobicContact CE1-CB 4.2Å; F68-I91 HydrophobicContact CE1-CG1 4.23Å; F68-I91 HydrophobicContact CE1-CG2 3.9Å; F68-E94 WeakPolarHBondContact CD2-OE1 3.29Å; F68-E94 HydrophobicContact CE1-CB 4.02Å; F68-E94 HydrophobicContact CE1-CG 4.37Å; F68-E94 HydrophobicContact CE2-CB 4.37Å; F68-E94 HydrophobicContact CE2-CG 4.14Å; F68-E94 WeakPolarHBondContact CE2-OE1 3.43Å; F68-E94 WeakPolarHBondContact CE2-OE2 3.49Å; F68-E94 HydrophobicContact CZ-CB 3.49Å; F68-E94 VanDerWaalsContact CZ-CB 3.49Å; F68-E94 HydrophobicContact CZ-CG 3.7Å; F68-E94 VanDerWaalsContact CZ-OE1 3.27Å; F68-E94 WeakPolarHBondContact CZ-OE1 3.27Å; F68-E94 WeakPolarHBondContact CZ-OE2 3.38Å
69I91.3Very high89Confident0 Ų063.8 Ų63.80%033%0.33CS..Hα-helixtrans-60-36.7174.3-65.1162.2000111.4F43 L46 L47 Y50 F51 K65 Y67 F73 I91F43-I69 HydrophobicContact CD2-CG2 4.48Å; F43-I69 HydrophobicContact CE2-CB 4.41Å; F43-I69 HydrophobicContact CE2-CG2 4Å; L46-I69 HydrophobicContact CB-CG2 4.04Å; L47-I69 HydrophobicContact CD2-CD1 3.9Å; L47-I69 HydrophobicContact CD2-CG2 4.43Å; Y50-I69 HydrophobicContact CD1-CD1 3.51Å; Y50-I69 HydrophobicContact CD2-CD1 3.95Å; Y50-I69 HydrophobicContact CD2-CG1 4.41Å; Y50-I69 HydrophobicContact CE1-CD1 4.04Å; Y50-I69 HydrophobicContact CE2-CD1 4.43Å; Y50-I69 HydrophobicContact CG-CD1 3.45Å; Y50-I69 VanDerWaalsContact CG-CD1 3.45Å; Y50-I69 HydrophobicContact CG-CG1 4.36Å; F51-I69 HydrophobicContact CE2-CD1 4.39Å; K65-I69 WeakPolarHBondContact O-CD1 3.47Å; K65-I69 WeakPolarHBondContact O-CG1 3.35Å; K65-I69 PolarHBondContact O-N 3.49Å; Y67-I69 PolarHBondContact O-N 3.23Å; I69-F73 VanDerWaalsContact O-CB 3.31Å; I69-F73 WeakPolarHBondContact O-CB 3.45Å; I69-F73 PolarHBondContact O-N 2.86Å; I69-F73 VanDerWaalsContact O-N 3.17Å; I69-I91 HydrophobicContact CB-CD1 4.14Å; I69-I91 HydrophobicContact CG1-CD1 3.9Å; I69-I91 HydrophobicContact CG1-CG1 4.35Å; I69-I91 HydrophobicContact CG1-CG2 4.17Å; I69-I91 HydrophobicContact CG2-CD1 3.83Å
70L91.2Very high89.3Confident13 Ų1368.1 Ų68.17%0.06835%0.35CS..Hα-helixtrans-67.9-42.2178.5-174.766.3000111.3F3 F43 A66 Y67 F68 F73 M74F3-L70 HydrophobicContact CB-CD2 4.06Å; F43-L70 HydrophobicContact CD1-CD1 4.31Å; F43-L70 HydrophobicContact CD2-CB 4.31Å; F43-L70 HydrophobicContact CD2-CD1 3.62Å; F43-L70 HydrophobicContact CE1-CD1 4.31Å; F43-L70 HydrophobicContact CE2-CB 3.54Å; F43-L70 HydrophobicContact CE2-CD1 3.63Å; F43-L70 HydrophobicContact CE2-CG 4.18Å; F43-L70 HydrophobicContact CG-CD1 3.97Å; F43-L70 HydrophobicContact CZ-CB 3.86Å; F43-L70 HydrophobicContact CZ-CD1 3.98Å; F43-L70 HydrophobicContact CZ-CG 4.4Å; A66-L70 PolarHBondContact O-N 3.17Å; A66-L70 VanDerWaalsContact O-N 3.1Å; Y67-L70 HydrophobicContact CD1-CD2 4.38Å; Y67-L70 WeakPolarHBondContact O-CA 3.24Å; Y67-L70 VanDerWaalsContact O-CB 3.3Å; Y67-L70 WeakPolarHBondContact O-CB 3.42Å; Y67-L70 PolarHBondContact O-N 2.93Å; F68-L70 PolarHBondContact O-N 3.28Å; L70-F73 PolarHBondContact O-N 3.06Å; L70-M74 HydrophobicContact CD1-CE 3.47Å; L70-M74 VanDerWaalsContact CD1-CE 3.47Å; L70-M74 HydrophobicContact CG-CE 4.23Å; L70-M74 PolarHBondContact O-N 3.15Å
71D91Very high89.5Confident103 Ų10367.2 Ų67.255%0.55134%0.344SS*.Hα-helixtrans-68.6-36.4-179.3-72.6-18.9000111.7Y67 F68 F73 Q80Y67-D71 PolarHBondContact O-N 3.03Å; F68-D71 PolarHBondContact O-N 3.21Å; D71-F73 VanDerWaalsContact C-N 3.29Å; D71-F73 PolarHBondContact O-N 3.43Å; D71-Q80 PolarHBondContact O-OE1 2.84Å
72E91.7Very high89.7Confident49 Ų4964.9 Ų64.923%0.22934%0.342CS..Hα-helixtrans-71.9-26.5173.4-171.856.6-152.600112.3F68 Q80 V87 A90 I91F68-E72 PolarHBondContact O-N 2.86Å; E72-Q80 PolarHBondContact O-OE1 3.31Å; E72-V87 HydrophobicContact CG-CG1 4.38Å; E72-A90 HydrophobicContact CG-CB 3.8Å; E72-A90 WeakPolarHBondContact OE1-CB 3.47Å; E72-I91 HydrophobicContact CB-CG1 4.11Å; E72-I91 HydrophobicContact CG-CG1 4.06Å
73F92.3Very high89.8Confident0 Ų064.2 Ų64.20%034%0.342CS..Hα-helixtrans-81.4-38177.4174.4-134.5000112.4I39 R42 F43 L46 I69 L70 D71 V79 Q80 V87I39-F73 HydrophobicContact CG2-CE1 3.72Å; I39-F73 HydrophobicContact CG2-CZ 4.1Å; R42-F73 HydrophobicContact CB-CE1 4.4Å; R42-F73 HydrophobicContact CB-CZ 3.88Å; R42-F73 VanDerWaalsContact CD-CE2 3.45Å; R42-F73 HydrophobicContact CG-CE1 4.41Å; R42-F73 HydrophobicContact CG-CE2 3.85Å; R42-F73 HydrophobicContact CG-CZ 3.68Å; F43-F73 HydrophobicContact CB-CD1 4.18Å; F43-F73 HydrophobicContact CB-CE1 4.07Å; F43-F73 HydrophobicContact CD2-CD1 4.2Å; L46-F73 HydrophobicContact CD1-CB 3.88Å; L46-F73 HydrophobicContact CD1-CD1 4.08Å; L46-F73 HydrophobicContact CD1-CD2 3.82Å; L46-F73 HydrophobicContact CD1-CE2 4.45Å; L46-F73 HydrophobicContact CD1-CG 3.64Å; I69-F73 VanDerWaalsContact O-CB 3.31Å; I69-F73 WeakPolarHBondContact O-CB 3.45Å; I69-F73 PolarHBondContact O-N 2.86Å; I69-F73 VanDerWaalsContact O-N 3.17Å; L70-F73 PolarHBondContact O-N 3.06Å; D71-F73 VanDerWaalsContact C-N 3.29Å; D71-F73 PolarHBondContact O-N 3.43Å; F73-V79 HydrophobicContact CD2-CG1 4.44Å; F73-V79 HydrophobicContact CE2-CG1 3.82Å; F73-V79 HydrophobicContact CE2-CG2 4.42Å; F73-V79 HydrophobicContact CZ-CG1 4.48Å; F73-V79 HydrophobicContact CZ-CG2 4.28Å; F73-Q80 PolarHBondContact O-N 2.98Å; F73-V87 HydrophobicContact CB-CG1 4.34Å; F73-V87 HydrophobicContact CD2-CG2 4.43Å
74M90Very high89.9Confident13 Ų1362.1 Ų62.16%0.06433%0.333CS..EExtended strand (participates in β ladder)trans-136.9140.4-174.2-66.6-162.9-5900113.1F3 I39 L70 E78F3-M74 HydrophobicContact CB-CE 4.5Å; F3-M74 HydrophobicContact CD1-CE 4.04Å; F3-M74 HydrophobicContact CD2-CE 3.06Å; F3-M74 HydrophobicContact CD2-SD 4.09Å; F3-M74 HydrophobicContact CE1-CE 4.04Å; F3-M74 HydrophobicContact CE2-CE 3.07Å; F3-M74 HydrophobicContact CE2-SD 3.47Å; F3-M74 WeakPolarHBondContact CE2-SD 3.47Å; F3-M74 HydrophobicContact CG-CE 3.59Å; F3-M74 HydrophobicContact CZ-CE 3.61Å; F3-M74 HydrophobicContact CZ-SD 3.82Å; I39-M74 HydrophobicContact CG2-CE 4.2Å; I39-M74 HydrophobicContact CG2-SD 3.38Å; I39-M74 WeakPolarHBondContact CG2-SD 3.39Å; L70-M74 HydrophobicContact CD1-CE 3.47Å; L70-M74 VanDerWaalsContact CD1-CE 3.47Å; L70-M74 HydrophobicContact CG-CE 4.23Å; L70-M74 PolarHBondContact O-N 3.15Å; M74-E78 CarbonylContact C-O 3.57Å; M74-E78 VanDerWaalsContact CA-O 3.22Å; M74-E78 WeakPolarHBondContact CA-O 3.48Å; M74-E78 WeakPolarHBondContact CB-O 3.3Å
75L89.9Confident89.9Confident115 Ų11563.6 Ų63.660%0.60234%0.337SS*.EExtended strand (participates in β ladder)trans-130.4127178.1-171.967.4000110.1G77 E78 Q80L75-G77 PolarHBondContact O-N 3.47Å; L75-E78 PolarHBondContact N-O 3.32Å; L75-E78 PolarHBondContact O-N 3.3Å; L75-E78 VanDerWaalsContact O-N 3.08Å; L75-Q80 HydrophobicContact CB-CB 4.06Å; L75-Q80 HydrophobicContact CB-CG 4.31Å
76G87.3Confident90Very high84 Ų8464 Ų6487%0.86634%0.34SS*.THydrogen-bonded Turntrans64.119.5178.100000114.7E78G76-E78 VanDerWaalsContact C-N 3.34Å
77G84.1Confident90.1Very high14 Ų1464 Ų6414%0.14434%0.34CS..THydrogen-bonded Turntrans86.92.2-17600000114.5M1 L75M1-G77 WeakPolarHBondContact O-CA 3.22Å; L75-G77 PolarHBondContact O-N 3.47Å
78E87.1Confident90.2Very high141 Ų14161.5 Ų61.566%0.65933%0.333SS*.EExtended strand (participates in β ladder)trans-107.4153.1174.5-63.6-63.9161.300110.5M74 L75 G76 Q80M74-E78 CarbonylContact C-O 3.57Å; M74-E78 VanDerWaalsContact CA-O 3.22Å; M74-E78 WeakPolarHBondContact CA-O 3.48Å; M74-E78 WeakPolarHBondContact CB-O 3.3Å; L75-E78 PolarHBondContact N-O 3.32Å; L75-E78 PolarHBondContact O-N 3.3Å; L75-E78 VanDerWaalsContact O-N 3.08Å; G76-E78 VanDerWaalsContact C-N 3.34Å; E78-Q80 PolarHBondContact O-N 3.21Å
79V90.5Very high90.3Very high50 Ų5067 Ų6730%0.30336%0.357SS..EExtended strand (participates in β ladder)trans-68.8116.1173.5177.20000109.1I39 F73 E81 T82I39-V79 HydrophobicContact CD1-CG2 3.91Å; I39-V79 HydrophobicContact CG1-CG2 3.83Å; F73-V79 HydrophobicContact CD2-CG1 4.44Å; F73-V79 HydrophobicContact CE2-CG1 3.82Å; F73-V79 HydrophobicContact CE2-CG2 4.42Å; F73-V79 HydrophobicContact CZ-CG1 4.48Å; F73-V79 HydrophobicContact CZ-CG2 4.28Å; V79-E81 WeakPolarHBondContact CG1-O 3.48Å; V79-T82 HydrophobicContact CG1-CG2 4.36Å
80Q91.2Very high90.3Very high95 Ų9568.5 Ų68.544%0.44437%0.369SS..SBendtrans-78.7-49.8180-177.2178.415.700110.8D71 E72 F73 L75 E78D71-Q80 PolarHBondContact O-OE1 2.84Å; E72-Q80 PolarHBondContact O-OE1 3.31Å; F73-Q80 PolarHBondContact O-N 2.98Å; L75-Q80 HydrophobicContact CB-CB 4.06Å; L75-Q80 HydrophobicContact CB-CG 4.31Å; E78-Q80 PolarHBondContact O-N 3.21Å
81E90.2Very high90.3Very high63 Ų6367.9 Ų67.929%0.29437%0.366SS..  trans-123.5122.5-176.8179.556.6-112.400110.4V79 S83 Q86 V87V79-E81 WeakPolarHBondContact CG1-O 3.48Å; E81-S83 WeakPolarHBondContact OE1-CB 3.4Å; E81-S83 PolarHBondContact OE1-N 3.1Å; E81-Q86 HydrophobicContact CG-CB 3.8Å; E81-V87 HydrophobicContact CB-CG2 3.65Å; E81-V87 HydrophobicContact CG-CG2 3.51Å
82T89.2Confident90.3Very high102 Ų10265.8 Ų65.863%0.62636%0.363SS*.  trans-83.9-26.1-174.560.40000112.1R42 V79R42-T82 PolarHBondContact NH1-O 2.86Å; V79-T82 HydrophobicContact CG1-CG2 4.36Å
83S90.3Very high90.2Very high44 Ų4465.6 Ų65.631%0.30837%0.37SS..  trans-88.5111.2-177.1-179.90000111.5E81 K85 Q86 V87E81-S83 WeakPolarHBondContact OE1-CB 3.4Å; E81-S83 PolarHBondContact OE1-N 3.1Å; S83-K85 PolarHBondContact O-N 3.49Å; S83-K85 PolarHBondContact OG-N 3.13Å; S83-Q86 PolarHBondContact O-N 3.03Å; S83-V87 WeakPolarHBondContact O-CG2 3.2Å; S83-V87 PolarHBondContact O-N 3.47Å
84K88.5Confident90Very high59 Ų5968.8 Ų68.826%0.25739%0.385SS..Hα-helixtrans-50.5-31.9172.1-67.9-172.7-78.6-163.50113.2R42 E45 L46 L88R42-K84 HydrophobicContact CG-CD 4.31Å; R42-K84 HydrophobicContact CG-CG 4.18Å; E45-K84 HydrophobicContact CB-CD 4.43Å; E45-K84 IonicContact OE1-NZ 2.77Å; E45-K84 PolarHBondContact OE1-NZ 3.06Å; E45-K84 WeakPolarHBondContact OE2-CD 3.24Å; E45-K84 IonicContact OE2-NZ 2.64Å; E45-K84 PolarHBondContact OE2-NZ 2.93Å; L46-K84 HydrophobicContact CD2-CB 4.19Å; L46-K84 HydrophobicContact CD2-CG 4.25Å; K84-L88 WeakPolarHBondContact O-CB 3.4Å; K84-L88 WeakPolarHBondContact O-CD1 3.14Å; K84-L88 VanDerWaalsContact O-CG 3.23Å; K84-L88 WeakPolarHBondContact O-CG 3.38Å; K84-L88 PolarHBondContact O-N 3.49Å
85K90.9Very high89.9Confident175 Ų17569.8 Ų69.876%0.76139%0.39SS*.Hα-helixtrans-72.4-36.9178.9-68.5-176.4179.8179.10112.4S83 K89S83-K85 PolarHBondContact O-N 3.49Å; S83-K85 PolarHBondContact OG-N 3.13Å; K85-K89 WeakPolarHBondContact O-CB 3.47Å; K85-K89 PolarHBondContact O-N 3.29Å
86Q92Very high89.9Confident98 Ų9869.7 Ų69.746%0.45839%0.39SS..Hα-helixtrans-73.7-43.9178.1-67-67.714.800110.5E81 S83 L88 K89 A90E81-Q86 HydrophobicContact CG-CB 3.8Å; S83-Q86 PolarHBondContact O-N 3.03Å; Q86-L88 PolarHBondContact O-N 3.26Å; Q86-K89 WeakPolarHBondContact O-CB 3.08Å; Q86-K89 PolarHBondContact O-N 2.91Å; Q86-A90 PolarHBondContact O-N 3.45Å
87V92.6Very high89.8Confident1 Ų171.3 Ų71.31%0.00638%0.376CS..Hα-helixtrans-53.1-53.3174.2179.10000110.9L46 E72 F73 E81 S83 K89 A90 I91L46-V87 HydrophobicContact CD1-CB 4.5Å; L46-V87 HydrophobicContact CD1-CG1 3.82Å; L46-V87 HydrophobicContact CD2-CB 4Å; L46-V87 HydrophobicContact CD2-CG1 3.81Å; L46-V87 HydrophobicContact CG-CG1 4.44Å; E72-V87 HydrophobicContact CG-CG1 4.38Å; F73-V87 HydrophobicContact CB-CG1 4.34Å; F73-V87 HydrophobicContact CD2-CG2 4.43Å; E81-V87 HydrophobicContact CB-CG2 3.65Å; E81-V87 HydrophobicContact CG-CG2 3.51Å; S83-V87 WeakPolarHBondContact O-CG2 3.2Å; S83-V87 PolarHBondContact O-N 3.47Å; V87-K89 VanDerWaalsContact C-N 3.26Å; V87-K89 PolarHBondContact O-N 2.97Å; V87-A90 PolarHBondContact O-N 3.27Å; V87-A90 VanDerWaalsContact O-N 3.17Å; V87-I91 HydrophobicContact CG1-CD1 3.53Å; V87-I91 HydrophobicContact CG1-CG1 4.37Å; V87-I91 WeakPolarHBondContact O-CD1 3.5Å; V87-I91 VanDerWaalsContact O-CG1 3.26Å; V87-I91 WeakPolarHBondContact O-CG1 3.24Å; V87-I91 PolarHBondContact O-N 3.03Å
88L91.6Very high89.5Confident42 Ų4274.8 Ų74.822%0.2239%0.389CS..Hα-helixtrans-61.5-33.6178.5-72171.9000113.7L46 K49 K84 Q86 A92L46-L88 HydrophobicContact CD2-CD2 4.25Å; L46-L88 HydrophobicContact CD2-CG 4.04Å; K49-L88 HydrophobicContact CB-CD1 3.85Å; K49-L88 HydrophobicContact CB-CD2 4.04Å; K49-L88 HydrophobicContact CD-CD1 3.55Å; K49-L88 HydrophobicContact CG-CD1 4.35Å; K84-L88 WeakPolarHBondContact O-CB 3.4Å; K84-L88 WeakPolarHBondContact O-CD1 3.14Å; K84-L88 VanDerWaalsContact O-CG 3.23Å; K84-L88 WeakPolarHBondContact O-CG 3.38Å; K84-L88 PolarHBondContact O-N 3.49Å; Q86-L88 PolarHBondContact O-N 3.26Å; L88-A92 VanDerWaalsContact O-CB 3.29Å; L88-A92 WeakPolarHBondContact O-CB 3.38Å; L88-A92 PolarHBondContact O-N 3.24Å
89K92.8Very high88.9Confident146 Ų14674.3 Ų74.364%0.63539%0.391SS*.Hα-helixtrans-71.2-39.9177.4-174.7-174.8176.1-168.70111.3K85 Q86 V87 A93K85-K89 WeakPolarHBondContact O-CB 3.47Å; K85-K89 PolarHBondContact O-N 3.29Å; Q86-K89 WeakPolarHBondContact O-CB 3.08Å; Q86-K89 PolarHBondContact O-N 2.91Å; V87-K89 VanDerWaalsContact C-N 3.26Å; V87-K89 PolarHBondContact O-N 2.97Å; K89-A93 WeakPolarHBondContact O-CB 3.47Å; K89-A93 PolarHBondContact O-N 2.91Å
90A91.6Very high87.7Confident32 Ų3279.8 Ų79.826%0.26441%0.413SS..Hα-helixtrans-65.7-47.6176.600000110.7E72 Q86 V87 A92 A93 E94E72-A90 HydrophobicContact CG-CB 3.8Å; E72-A90 WeakPolarHBondContact OE1-CB 3.47Å; Q86-A90 PolarHBondContact O-N 3.45Å; V87-A90 PolarHBondContact O-N 3.27Å; V87-A90 VanDerWaalsContact O-N 3.17Å; A90-A92 VanDerWaalsContact C-N 3.34Å; A90-A92 PolarHBondContact O-N 2.93Å; A90-A93 WeakPolarHBondContact O-CB 3.35Å; A90-A93 PolarHBondContact O-N 3.35Å; A90-A93 VanDerWaalsContact O-N 3.1Å; A90-E94 PolarHBondContact O-N 2.89Å
91I91.7Very high86Confident0 Ų082.3 Ų82.30%043%0.425CS..Hα-helixtrans-54.8-48.9174-66.1158.1000111.1Y50 F68 I69 E72 V87 A93 E94 D95Y50-I91 HydrophobicContact CD2-CG2 3.55Å; Y50-I91 HydrophobicContact CE2-CG2 3.39Å; F68-I91 HydrophobicContact CD1-CG2 4.35Å; F68-I91 HydrophobicContact CE1-CB 4.2Å; F68-I91 HydrophobicContact CE1-CG1 4.23Å; F68-I91 HydrophobicContact CE1-CG2 3.9Å; I69-I91 HydrophobicContact CB-CD1 4.14Å; I69-I91 HydrophobicContact CG1-CD1 3.9Å; I69-I91 HydrophobicContact CG1-CG1 4.35Å; I69-I91 HydrophobicContact CG1-CG2 4.17Å; I69-I91 HydrophobicContact CG2-CD1 3.83Å; E72-I91 HydrophobicContact CB-CG1 4.11Å; E72-I91 HydrophobicContact CG-CG1 4.06Å; V87-I91 HydrophobicContact CG1-CD1 3.53Å; V87-I91 HydrophobicContact CG1-CG1 4.37Å; V87-I91 WeakPolarHBondContact O-CD1 3.5Å; V87-I91 VanDerWaalsContact O-CG1 3.26Å; V87-I91 WeakPolarHBondContact O-CG1 3.24Å; V87-I91 PolarHBondContact O-N 3.03Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 2.9Å; I91-E94 PolarHBondContact O-N 3.08Å; I91-D95 PolarHBondContact O-N 2.91Å
92A90.1Very high83.9Confident58 Ų5884.2 Ų84.248%0.47944%0.441SS..Hα-helixtrans-67.2-30.3179.900000113.5L88 A90 L96L88-A92 VanDerWaalsContact O-CB 3.29Å; L88-A92 WeakPolarHBondContact O-CB 3.38Å; L88-A92 PolarHBondContact O-N 3.24Å; A90-A92 VanDerWaalsContact C-N 3.34Å; A90-A92 PolarHBondContact O-N 2.93Å; A92-L96 PolarHBondContact O-N 3.23Å
93A90.8Very high81.9Confident46 Ų4683.2 Ų83.238%0.3844%0.436SS..Hα-helixtrans-71.1-39.1174.900000111.1K89 A90 I91 M97K89-A93 WeakPolarHBondContact O-CB 3.47Å; K89-A93 PolarHBondContact O-N 2.91Å; A90-A93 WeakPolarHBondContact O-CB 3.35Å; A90-A93 PolarHBondContact O-N 3.35Å; A90-A93 VanDerWaalsContact O-N 3.1Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 2.9Å; A93-M97 WeakPolarHBondContact O-CG 3.47Å; A93-M97 PolarHBondContact O-N 3.45Å
94E87.6Confident79.8Confident67 Ų6789.6 Ų89.631%0.31346%0.461SS..Hα-helixtrans-71.1-43.3177.2-167.4174.3132.300112.2F68 A90 I91 L96 M97 Q98F68-E94 WeakPolarHBondContact CD2-OE1 3.29Å; F68-E94 HydrophobicContact CE1-CB 4.02Å; F68-E94 HydrophobicContact CE1-CG 4.37Å; F68-E94 HydrophobicContact CE2-CB 4.37Å; F68-E94 HydrophobicContact CE2-CG 4.14Å; F68-E94 WeakPolarHBondContact CE2-OE1 3.43Å; F68-E94 WeakPolarHBondContact CE2-OE2 3.49Å; F68-E94 HydrophobicContact CZ-CB 3.49Å; F68-E94 VanDerWaalsContact CZ-CB 3.49Å; F68-E94 HydrophobicContact CZ-CG 3.7Å; F68-E94 VanDerWaalsContact CZ-OE1 3.27Å; F68-E94 WeakPolarHBondContact CZ-OE1 3.27Å; F68-E94 WeakPolarHBondContact CZ-OE2 3.38Å; A90-E94 PolarHBondContact O-N 2.89Å; I91-E94 PolarHBondContact O-N 3.08Å; E94-L96 PolarHBondContact O-N 3.44Å; E94-M97 WeakPolarHBondContact O-CA 3.47Å; E94-M97 WeakPolarHBondContact O-CB 2.92Å; E94-M97 PolarHBondContact O-N 3Å; E94-Q98 HydrophobicContact CG-CG 4.23Å; E94-Q98 WeakPolarHBondContact O-CG 3.44Å; E94-Q98 PolarHBondContact O-N 3.45Å; E94-Q98 PolarHBondContact OE1-NE2 3.17Å
95D88.7Confident77.8Confident33 Ų3388.5 Ų88.518%0.17647%0.466CS..Hα-helixtrans-53.4-41.8174.2-86-10.2000111.4Y50 I91 Q98 D99Y50-D95 WeakPolarHBondContact CE2-OD2 3.43Å; Y50-D95 VanDerWaalsContact CZ-OD2 3.27Å; Y50-D95 PolarHBondContact OH-OD1 2.08Å; Y50-D95 PolarHBondContact OH-OD2 3.04Å; I91-D95 PolarHBondContact O-N 2.91Å; D95-Q98 PolarHBondContact O-N 2.9Å; D95-D99 PolarHBondContact O-N 3.21Å; D95-D99 VanDerWaalsContact O-N 3.13Å
96L89.4Confident75.8Confident113 Ų11386.9 Ų86.959%0.59246%0.46SS*.Hα-helixtrans-64.9-39.2176.7-178.964.4000112.2A92 E94 E100A92-L96 PolarHBondContact O-N 3.23Å; E94-L96 PolarHBondContact O-N 3.44Å; L96-E100 PolarHBondContact O-N 3.18Å
97M84.9Confident73.9Confident119 Ų11990.6 Ų90.659%0.58647%0.474SS*.Hα-helixtrans-68.5-42.4177.5-69.4179-174.900111.5A93 E94 D99 E100 E101A93-M97 WeakPolarHBondContact O-CG 3.47Å; A93-M97 PolarHBondContact O-N 3.45Å; E94-M97 WeakPolarHBondContact O-CA 3.47Å; E94-M97 WeakPolarHBondContact O-CB 2.92Å; E94-M97 PolarHBondContact O-N 3Å; M97-D99 VanDerWaalsContact C-N 3.32Å; M97-D99 PolarHBondContact O-N 3.44Å; M97-E100 PolarHBondContact O-N 3.4Å; M97-E100 VanDerWaalsContact O-N 3.16Å; M97-E101 WeakPolarHBondContact O-CB 3.4Å; M97-E101 WeakPolarHBondContact O-CG 3.3Å; M97-E101 PolarHBondContact O-N 3Å
98Q78Confident72.2Confident87 Ų8798 Ų9841%0.40751%0.509SS..Hα-helixtrans-63.8-36.6179.5-68.5-176.99.700112.3E94 D95 E101 T102E94-Q98 HydrophobicContact CG-CG 4.23Å; E94-Q98 WeakPolarHBondContact O-CG 3.44Å; E94-Q98 PolarHBondContact O-N 3.45Å; E94-Q98 PolarHBondContact OE1-NE2 3.17Å; D95-Q98 PolarHBondContact O-N 2.9Å; Q98-E101 PolarHBondContact O-N 3.32Å; Q98-T102 PolarHBondContact O-N 3.44Å; Q98-T102 PolarHBondContact O-OG1 3.24Å
99D75Confident70.4Confident131 Ų131102.6 Ų102.670%0.70153%0.534SS*.Hα-helixtrans-66-36.9174.1-80.8-17.5000112.1D95 M97D95-D99 PolarHBondContact O-N 3.21Å; D95-D99 VanDerWaalsContact O-N 3.13Å; M97-D99 VanDerWaalsContact C-N 3.32Å; M97-D99 PolarHBondContact O-N 3.44Å
100E63.9Low68.9Low165 Ų165101.8 Ų101.877%0.77153%0.532SS*.Hα-helixtrans-73.4-29175.4-68-154126.900112.9L96 M97L96-E100 PolarHBondContact O-N 3.18Å; M97-E100 PolarHBondContact O-N 3.4Å; M97-E100 VanDerWaalsContact O-N 3.16Å
101E56Low66.8Low147 Ų147103 Ų10369%0.68755%0.547SS*.THydrogen-bonded Turntrans-82.8-3.2-177.7-76.9-167.4150.500114.6M97 Q98 P103M97-E101 WeakPolarHBondContact O-CB 3.4Å; M97-E101 WeakPolarHBondContact O-CG 3.3Å; M97-E101 PolarHBondContact O-N 3Å; Q98-E101 PolarHBondContact O-N 3.32Å; E101-P103 WeakPolarHBondContact O-CD 3.5Å; E101-P103 WeakPolarHBondContact O-CG 3.25Å
102T47Very low65Low104 Ų104110.9 Ų110.964%0.63859%0.589SS**  trans-73.293.3173.4-530000109.3Q98 Q104Q98-T102 PolarHBondContact O-N 3.44Å; Q98-T102 PolarHBondContact O-OG1 3.24Å; T102-Q104 PolarHBondContact O-N 3.01Å; T102-Q104 VanDerWaalsContact O-N 3.14Å
103P46.6Very low63.3Low81 Ų81114.8 Ų114.853%0.52664%0.635SS.*  trans-88.9102.2-174.111.912.4000104.8E101 G105 F106E101-P103 WeakPolarHBondContact O-CD 3.5Å; E101-P103 WeakPolarHBondContact O-CG 3.25Å; P103-G105 PolarHBondContact O-N 2.81Å; P103-F106 HydrophobicContact CG-CB 4.4Å; P103-F106 PolarHBondContact O-N 2.91Å; P103-F106 VanDerWaalsContact O-N 3.15Å
104Q47Very low61.9Low178 Ų178118.3 Ų118.383%0.83265%0.647SS**THydrogen-bonded Turntrans-50.8-16.2161.4-79-173-40.400111.8T102T102-Q104 PolarHBondContact O-N 3.01Å; T102-Q104 VanDerWaalsContact O-N 3.14Å
105G45Very low60.6Low35 Ų35120.9 Ų120.936%0.36167%0.665SS.*THydrogen-bonded Turntrans-86.8-8.2177.500000118.6P103 F107 E108 D109P103-G105 PolarHBondContact O-N 2.81Å; G105-F107 VanDerWaalsContact C-N 3.27Å; G105-F107 PolarHBondContact O-N 2.87Å; G105-E108 PolarHBondContact O-N 3.26Å; G105-D109 PolarHBondContact O-N 3.16Å
106F49.8Very low59Low142 Ų142125.8 Ų125.862%0.62369%0.692SS**Hα-helixtrans-66.7-31.3-177.7-169.7-98.8000112.5P103P103-F106 HydrophobicContact CG-CB 4.4Å; P103-F106 PolarHBondContact O-N 2.91Å; P103-F106 VanDerWaalsContact O-N 3.15Å
107F52.7Low57.2Low175 Ų175126.6 Ų126.677%0.76870%0.698SS**Hα-helixtrans-81.8-28.6174.5-70.3-79.1000113.2G105G105-F107 VanDerWaalsContact C-N 3.27Å; G105-F107 PolarHBondContact O-N 2.87Å
108E55.7Low55.5Low157 Ų157127.1 Ų127.173%0.73471%0.705SS**Hα-helixtrans-74.1-33.1176.9-76.6179108.500112.2G105 H110 G111G105-E108 PolarHBondContact O-N 3.26Å; E108-H110 PolarHBondContact O-N 3.1Å; E108-G111 PolarHBondContact O-N 2.84Å
109D55.2Low54Low138 Ų138129.7 Ų129.774%0.73873%0.725SS**Hα-helixtrans-75-24.2-174.8-154.1-109.3000113.8G105G105-D109 PolarHBondContact O-N 3.16Å
110H59.2Low52.5Low130 Ų130129.6 Ų129.660%0.60273%0.727SS**THydrogen-bonded Turntrans-100.74.2176.7-76.572.8000114.5E108 L112E108-H110 PolarHBondContact O-N 3.1Å; H110-L112 PolarHBondContact O-N 3.2Å; H110-L112 VanDerWaalsContact O-N 3.09Å
111G48.5Very low51.6Low56 Ų56126.9 Ų126.958%0.57772%0.723SS**THydrogen-bonded Turntrans55.234.1166.500000115.3E108E108-G111 PolarHBondContact O-N 2.84Å
112L53.4Low51.3Low167 Ų167125.3 Ų125.387%0.87473%0.726SS**  trans-98.729.3177.3-65.1-176.1000113.4H110H110-L112 PolarHBondContact O-N 3.2Å; H110-L112 VanDerWaalsContact O-N 3.09Å
113G55.5Low51.7Low140 Ų140127.2 Ų127.2100%1.44373%0.734SS**  trans-105.90165.600000110.9

Retrieved 113 of 113 residues in 83.1 ms (Link to these results)

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