A0A077ZIW1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIW1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 143 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
1M72.7Confident78Confident123 Ų123102.1 Ų102.161%0.60650%0.502SS*.  0-60.60-175.2-173.866.900111E3 K4 L5 I50M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 3.33Å; M1-K4 WeakPolarHBondContact O-CB 2.93Å; M1-K4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-I50 HydrophobicContact CE-CG2 3.43Å; M1-I50 VanDerWaalsContact CE-CG2 3.43Å; M1-I50 WeakPolarHBondContact CE-O 2.97Å
2L75.5Confident77.9Confident59 Ų5996.8 Ų96.831%0.30948%0.479SS..Hα-helixtrans-55.1-38.9179.8-66.5170.4000113.6K4 L5 S6 V33 F53L2-K4 VanDerWaalsContact C-N 3.27Å; L2-K4 PolarHBondContact O-N 3.03Å; L2-L5 PolarHBondContact O-N 3.1Å; L2-L5 VanDerWaalsContact O-N 3.07Å; L2-S6 PolarHBondContact O-N 2.91Å; L2-V33 HydrophobicContact CD1-CG2 3.89Å; L2-F53 HydrophobicContact CD2-CD1 3.75Å; L2-F53 HydrophobicContact CD2-CD2 4.2Å; L2-F53 HydrophobicContact CD2-CE1 3.85Å; L2-F53 HydrophobicContact CD2-CE2 4.31Å; L2-F53 HydrophobicContact CD2-CG 3.94Å; L2-F53 HydrophobicContact CD2-CZ 4.15Å
3E77.8Confident77.8Confident152 Ų15295.2 Ų95.271%0.7150%0.503SS*.Hα-helixtrans-61.3-30.6174.1-69.6176.9167.600114.2M1 S6 Q7M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 3.33Å; E3-S6 PolarHBondContact O-OG 3.41Å; E3-Q7 WeakPolarHBondContact O-CG 3.04Å
4K81.8Confident78.1Confident152 Ų15293.2 Ų93.266%0.66149%0.488SS*.Hα-helixtrans-74.1-35.8174.5-66.9-172.4178.1-176.90110.7M1 L2 Q7 H8M1-K4 WeakPolarHBondContact O-CB 2.93Å; M1-K4 PolarHBondContact O-N 3.36Å; L2-K4 VanDerWaalsContact C-N 3.27Å; L2-K4 PolarHBondContact O-N 3.03Å; K4-Q7 PolarHBondContact O-N 3.05Å; K4-H8 PolarHBondContact O-N 2.93Å; K4-H8 PolarHBondContact O-ND1 2.91Å
5L79.4Confident78.2Confident12 Ų1295.7 Ų95.76%0.06351%0.509CS..Hα-helixtrans-70.7-36.5178.2-64.3175.2000111.4M1 L2 Q7 H8 Y9 F14 F53 E54M1-L5 PolarHBondContact O-N 3.2Å; L2-L5 PolarHBondContact O-N 3.1Å; L2-L5 VanDerWaalsContact O-N 3.07Å; L5-Q7 PolarHBondContact O-N 2.93Å; L5-H8 PolarHBondContact O-N 3.34Å; L5-Y9 HydrophobicContact CB-CD2 4.24Å; L5-Y9 HydrophobicContact CD2-CD2 4.26Å; L5-Y9 HydrophobicContact CD2-CE2 3.83Å; L5-Y9 WeakPolarHBondContact O-CD2 3.23Å; L5-Y9 PolarHBondContact O-N 3.04Å; L5-F14 HydrophobicContact CB-CZ 4.32Å; L5-F53 HydrophobicContact CD1-CD1 3.49Å; L5-F53 VanDerWaalsContact CD1-CD1 3.49Å; L5-F53 HydrophobicContact CD1-CE1 4.01Å; L5-E54 HydrophobicContact CD1-CB 4.33Å; L5-E54 HydrophobicContact CD2-CB 4.17Å; L5-E54 HydrophobicContact CD2-CG 4.07Å
6S80.5Confident78.4Confident47 Ų47101.3 Ų101.333%0.32953%0.527SS..Hα-helixtrans-62.5-24.5175.665.50000113.6L2 E3 F14L2-S6 PolarHBondContact O-N 2.91Å; E3-S6 PolarHBondContact O-OG 3.41Å; S6-F14 VanDerWaalsContact CA-CE2 3.48Å; S6-F14 VanDerWaalsContact CB-CD2 3.41Å
7Q80.8Confident77.9Confident148 Ų148100.4 Ų100.469%0.69253%0.526SS*.Hα-helixtrans-78.5-30.5173.8-66.6175.5-3.500112.8E3 K4 L5E3-Q7 WeakPolarHBondContact O-CG 3.04Å; K4-Q7 PolarHBondContact O-N 3.05Å; L5-Q7 PolarHBondContact O-N 2.93Å
8H80.1Confident77.5Confident143 Ų14399.9 Ų99.966%0.66253%0.525SS*.Hα-helixtrans-86.8-37-179-72.890.4000112.8K4 L5 T10K4-H8 PolarHBondContact O-N 2.93Å; K4-H8 PolarHBondContact O-ND1 2.91Å; L5-H8 PolarHBondContact O-N 3.34Å; H8-T10 PolarHBondContact O-N 3.1Å
9Y79.2Confident76.9Confident29 Ų2996.9 Ų96.911%0.11451%0.511CS..  trans-101.867.5-176.2-65.5-83.2000110.8L5 Q11 V12 E54 L57 L61L5-Y9 HydrophobicContact CB-CD2 4.24Å; L5-Y9 HydrophobicContact CD2-CD2 4.26Å; L5-Y9 HydrophobicContact CD2-CE2 3.83Å; L5-Y9 WeakPolarHBondContact O-CD2 3.23Å; L5-Y9 PolarHBondContact O-N 3.04Å; Y9-Q11 PolarHBondContact O-N 2.89Å; Y9-Q11 VanDerWaalsContact O-N 3.17Å; Y9-V12 PolarHBondContact O-N 3.26Å; Y9-E54 HydrophobicContact CE2-CG 4.17Å; Y9-E54 WeakPolarHBondContact OH-CG 3.4Å; Y9-E54 PolarHBondContact OH-OE1 3.43Å; Y9-L57 HydrophobicContact CD1-CD2 3.82Å; Y9-L57 HydrophobicContact CD2-CD2 3.63Å; Y9-L57 HydrophobicContact CE1-CD2 4.2Å; Y9-L57 HydrophobicContact CE2-CD2 4.08Å; Y9-L57 HydrophobicContact CG-CD2 3.49Å; Y9-L57 VanDerWaalsContact CG-CD2 3.49Å; Y9-L61 HydrophobicContact CD1-CD1 3.47Å; Y9-L61 VanDerWaalsContact CD1-CD1 3.47Å; Y9-L61 HydrophobicContact CE1-CD1 3.71Å
10T77.5Confident76.2Confident118 Ų118100.1 Ų100.172%0.72453%0.528SS*.THydrogen-bonded Turntrans-64.2-20.2-175.756.10000114H8 V12H8-T10 PolarHBondContact O-N 3.1Å; T10-V12 PolarHBondContact O-N 3.44Å
11Q73.1Confident75Confident140 Ų140103.6 Ų103.665%0.65454%0.541SS*.THydrogen-bonded Turntrans-77.8-2.2172.666.2-124.63000114.4Y9 L61Y9-Q11 PolarHBondContact O-N 2.89Å; Y9-Q11 VanDerWaalsContact O-N 3.17Å; Q11-L61 HydrophobicContact CG-CD2 3.78Å
12V76Confident73.8Confident38 Ų38101.7 Ų101.723%0.2353%0.533CS..SBendtrans-114.1127.6-179.7-1800000109.5Y9 T10 F14 L57 L61Y9-V12 PolarHBondContact O-N 3.26Å; T10-V12 PolarHBondContact O-N 3.44Å; V12-F14 HydrophobicContact CB-CD2 4.37Å; V12-F14 HydrophobicContact CB-CE2 3.76Å; V12-F14 HydrophobicContact CB-CZ 4.43Å; V12-F14 HydrophobicContact CG1-CD2 4.12Å; V12-F14 HydrophobicContact CG1-CE2 3.67Å; V12-F14 HydrophobicContact CG1-CZ 4.05Å; V12-F14 WeakPolarHBondContact O-CD2 3.43Å; V12-L57 HydrophobicContact CG1-CD1 4.06Å; V12-L57 HydrophobicContact CG2-CD1 4.11Å; V12-L57 HydrophobicContact CG2-CD2 4.38Å; V12-L57 HydrophobicContact CG2-CG 4.46Å; V12-L61 HydrophobicContact CG2-CD2 3.96Å
13G77Confident72.4Confident76 Ų76105 Ų10578%0.78456%0.558SS**  trans-77.7122.5171.500000111.1
14F81.8Confident71.1Confident68 Ų68100.7 Ų100.730%0.29854%0.539SS..  trans-104.3119.6173.7-72-98.5000109.7L5 S6 V12 F53 L57L5-F14 HydrophobicContact CB-CZ 4.32Å; S6-F14 VanDerWaalsContact CA-CE2 3.48Å; S6-F14 VanDerWaalsContact CB-CD2 3.41Å; V12-F14 HydrophobicContact CB-CD2 4.37Å; V12-F14 HydrophobicContact CB-CE2 3.76Å; V12-F14 HydrophobicContact CB-CZ 4.43Å; V12-F14 HydrophobicContact CG1-CD2 4.12Å; V12-F14 HydrophobicContact CG1-CE2 3.67Å; V12-F14 HydrophobicContact CG1-CZ 4.05Å; V12-F14 WeakPolarHBondContact O-CD2 3.43Å; F14-F53 AromaticContact CE1-CE1 3.72Å; F14-F53 HydrophobicContact CE1-CE1 3.72Å; F14-F53 AromaticContact CE1-CZ 3.77Å; F14-F53 HydrophobicContact CE1-CZ 3.77Å; F14-F53 HydrophobicContact CZ-CE1 4.09Å; F14-F53 HydrophobicContact CZ-CZ 4.33Å; F14-L57 HydrophobicContact CZ-CD2 4.21Å
15V79.3Confident69.6Low131 Ų13198.4 Ų98.479%0.79454%0.538SS*.  trans-116.2125.3175.4-178.30000108.3V17V15-V17 HydrophobicContact CG1-CG2 4.17Å
16K81.3Confident68.3Low185 Ų185105.3 Ų105.380%0.80458%0.575SS**  trans-95128.9170.7-171.5-177.9177-1690108.1
17V70.3Confident67Low85 Ų85110.3 Ų110.352%0.51559%0.593SS.*  trans-115123.4176.2-1790000107.4V15 I22V15-V17 HydrophobicContact CG1-CG2 4.17Å; V17-I22 HydrophobicContact CG1-CD1 3.27Å; V17-I22 HydrophobicContact CG1-CG1 4.44Å
18D71Confident65.8Low93 Ų93106 Ų10650%0.49757%0.574SS.*  trans-85.1124.7173.8-134-37.6000109.2
19V65.7Low65Low43 Ų43103.1 Ų103.126%0.26157%0.566SS.*G310 helixtrans-91.9-10.6-164.4-125.70000112.7E21 I22 I24 T30V19-E21 PolarHBondContact O-N 3.4Å; V19-I22 PolarHBondContact O-N 2.88Å; V19-I24 HydrophobicContact CB-CD1 3.65Å; V19-I24 HydrophobicContact CB-CG1 4.26Å; V19-I24 HydrophobicContact CG1-CD1 3.18Å; V19-I24 HydrophobicContact CG1-CG1 3.44Å; V19-I24 VanDerWaalsContact CG1-CG1 3.44Å; V19-T30 HydrophobicContact CB-CG2 4.35Å; V19-T30 HydrophobicContact CG2-CG2 3.61Å
20D64.1Low64.5Low160 Ų160105.9 Ų105.986%0.85659%0.586SS**G310 helixtrans-61.4-19.5167.6-67.7-16.4000112
21E50.2Low64.4Low173 Ų173103.3 Ų103.381%0.80857%0.572SS**G310 helixtrans-97.4-2.8179.9-60.8-170.8170.500114.1V19V19-E21 PolarHBondContact O-N 3.4Å
22I47.9Very low64.7Low83 Ų8398.3 Ų98.343%0.42655%0.551SS.*SBendtrans-128124.5-175.2-53.9179.6000109.5V17 V19 I24V17-I22 HydrophobicContact CG1-CD1 3.27Å; V17-I22 HydrophobicContact CG1-CG1 4.44Å; V19-I22 PolarHBondContact O-N 2.88Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 VanDerWaalsContact O-CG1 3.27Å; I22-I24 WeakPolarHBondContact O-CG1 3.37Å; I22-I24 PolarHBondContact O-N 3.4Å
23P45.4Very low64.9Low129 Ų12997.8 Ų97.884%0.83855%0.547SS*.  trans-67.893.6171.427.9-30.7000108.4
24I50.6Low65Low62 Ų6298.2 Ų98.232%0.31853%0.53SS..  trans-74.5139177.7-19.2167.3000108.1V19 I22 D26 I28V19-I24 HydrophobicContact CB-CD1 3.65Å; V19-I24 HydrophobicContact CB-CG1 4.26Å; V19-I24 HydrophobicContact CG1-CD1 3.18Å; V19-I24 HydrophobicContact CG1-CG1 3.44Å; V19-I24 VanDerWaalsContact CG1-CG1 3.44Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 VanDerWaalsContact O-CG1 3.27Å; I22-I24 WeakPolarHBondContact O-CG1 3.37Å; I22-I24 PolarHBondContact O-N 3.4Å; I24-D26 PolarHBondContact O-N 3.19Å; I24-I28 HydrophobicContact CG2-CB 3.85Å; I24-I28 HydrophobicContact CG2-CD1 3.87Å; I24-I28 HydrophobicContact CG2-CG1 4.21Å; I24-I28 HydrophobicContact CG2-CG2 4.44Å
25V49.9Very low64.9Low104 Ų10495.8 Ų95.863%0.6352%0.52SS*.  trans-56.7136.3165.7-168.50000107.8H27 I28V25-H27 PolarHBondContact O-N 3.13Å; V25-I28 PolarHBondContact O-N 3.25Å
26D52.7Low64.5Low157 Ų15794.5 Ų94.584%0.8451%0.505SS*.THydrogen-bonded Turntrans-54.211.7-171.6-68.6-39.5000117I24I24-D26 PolarHBondContact O-N 3.19Å
27H53.1Low63.9Low151 Ų15187.2 Ų87.270%0.69948%0.475SS*.THydrogen-bonded Turntrans-123.61.6-168.6-53.1-35.3000114.1V25V25-H27 PolarHBondContact O-N 3.13Å
28I55.9Low63.8Low59 Ų5985.7 Ų85.730%0.30348%0.476SS..  trans-104.9110.2177.5-58.5-179.6000109.1I24 V25 T32 M34I24-I28 HydrophobicContact CG2-CB 3.85Å; I24-I28 HydrophobicContact CG2-CD1 3.87Å; I24-I28 HydrophobicContact CG2-CG1 4.21Å; I24-I28 HydrophobicContact CG2-CG2 4.44Å; V25-I28 PolarHBondContact O-N 3.25Å; I28-T32 HydrophobicContact CG2-CG2 4.13Å; I28-T32 WeakPolarHBondContact CG2-OG1 3.49Å; I28-M34 HydrophobicContact CD1-CE 3.94Å
29T62.5Low63.2Low82 Ų8283.5 Ų83.550%0.50347%0.465SS..PPolyproline II helixtrans-82130.8173.744.20000110.2P31 T32T29-P31 CarbonylContact O-C 3.6Å; T29-T32 PolarHBondContact O-OG1 2.73Å
30T69.6Low62.7Low86 Ų8682 Ų8253%0.52846%0.455SS..SBendtrans-87.5140.6174.352.20000110.8V19V19-T30 HydrophobicContact CB-CG2 4.35Å; V19-T30 HydrophobicContact CG2-CG2 3.61Å
31P74.7Confident62.8Low65 Ų6576.3 Ų76.342%0.42242%0.424SS..SBendcis-78.3138.5-1.930.7-33.3000112.5T29 E47 I50T29-P31 CarbonylContact O-C 3.6Å; P31-E47 HydrophobicContact CG-CB 4.27Å; P31-E47 HydrophobicContact CG-CG 3.99Å; P31-E47 PolarHBondContact O-N 2.91Å; P31-I50 HydrophobicContact CB-CD1 3.91Å; P31-I50 HydrophobicContact CG-CD1 3.94Å; P31-I50 WeakPolarHBondContact O-CD1 3.48Å
32T78.7Confident63.6Low35 Ų3568.4 Ų68.422%0.21539%0.388CS..  trans-121.3140.5168.1-750000108.7I28 T29 M34 L44 L45I28-T32 HydrophobicContact CG2-CG2 4.13Å; I28-T32 WeakPolarHBondContact CG2-OG1 3.49Å; T29-T32 PolarHBondContact O-OG1 2.73Å; T32-M34 HydrophobicContact CG2-CE 4.41Å; T32-M34 HydrophobicContact CG2-CG 4.32Å; T32-L44 HydrophobicContact CG2-CD1 4.23Å; T32-L44 HydrophobicContact CG2-CD2 4.05Å; T32-L44 HydrophobicContact CG2-CG 3.86Å; T32-L45 CarbonylContact C-O 3.58Å; T32-L45 VanDerWaalsContact CA-O 3.28Å; T32-L45 WeakPolarHBondContact CA-O 3.32Å
33V80.7Confident64.9Low26 Ų2666.1 Ų66.116%0.15838%0.376CS..EExtended strand (participates in β ladder)trans-117.2126.8172.7-176.40000109.6L2 L35 L45 I50 F53L2-V33 HydrophobicContact CD1-CG2 3.89Å; V33-L35 HydrophobicContact CG1-CD1 4.27Å; V33-L45 HydrophobicContact CB-CB 4.28Å; V33-L45 PolarHBondContact N-O 3.33Å; V33-L45 PolarHBondContact O-N 2.89Å; V33-I50 HydrophobicContact CB-CG1 4.47Å; V33-I50 HydrophobicContact CG2-CD1 3.73Å; V33-I50 HydrophobicContact CG2-CG1 3.89Å; V33-F53 HydrophobicContact CB-CD2 4.38Å; V33-F53 HydrophobicContact CB-CE2 4.31Å; V33-F53 HydrophobicContact CG1-CD2 3.95Å; V33-F53 HydrophobicContact CG1-CE2 3.41Å; V33-F53 VanDerWaalsContact CG1-CE2 3.41Å; V33-F53 HydrophobicContact CG1-CZ 4.33Å
34M80.5Confident66.3Low86 Ų8662.6 Ų62.642%0.42435%0.35SS..EExtended strand (participates in β ladder)trans-105.3118.6175.1-58.8178.2-17600109I28 T32 H36 M41 D43 L44I28-M34 HydrophobicContact CD1-CE 3.94Å; T32-M34 HydrophobicContact CG2-CE 4.41Å; T32-M34 HydrophobicContact CG2-CG 4.32Å; M34-H36 PolarHBondContact O-ND1 2.88Å; M34-M41 HydrophobicContact CB-CG 4.49Å; M34-M41 HydrophobicContact CB-SD 4.47Å; M34-M41 HydrophobicContact CG-SD 4.37Å; M34-M41 HydrophobicContact SD-SD 4.44Å; M34-D43 WeakPolarHBondContact CA-O 3.35Å; M34-L44 HydrophobicContact CE-CD1 4Å; M34-L44 HydrophobicContact CG-CD1 4.14Å; M34-L44 HydrophobicContact CG-CG 4.47Å
35L78.7Confident67.6Low16 Ų1659.8 Ų59.88%0.08434%0.336CS..EExtended strand (participates in β ladder)trans-86.2136.1172-98.280.7000110V33 M41 V42 D43 L45 F53 I56 L57 W60V33-L35 HydrophobicContact CG1-CD1 4.27Å; L35-M41 CarbonylContact O-C 3.52Å; L35-M41 WeakPolarHBondContact O-CA 3.33Å; L35-V42 HydrophobicContact CB-CG2 3.74Å; L35-V42 PolarHBondContact O-N 2.91Å; L35-D43 HydrophobicContact CB-CB 3.94Å; L35-D43 PolarHBondContact N-O 3.07Å; L35-D43 PolarHBondContact O-N 2.94Å; L35-L45 HydrophobicContact CD1-CD1 3.71Å; L35-F53 HydrophobicContact CD1-CD2 4.05Å; L35-F53 HydrophobicContact CD1-CE2 3.34Å; L35-F53 HydrophobicContact CD1-CZ 4.12Å; L35-F53 HydrophobicContact CG-CE2 4.48Å; L35-I56 HydrophobicContact CD2-CG2 4.45Å; L35-L57 HydrophobicContact CD2-CD1 4.1Å; L35-W60 HydrophobicContact CD2-CB 4.18Å; L35-W60 HydrophobicContact CD2-CG 3.91Å
36H70.9Confident68.9Low105 Ų10559 Ų5949%0.48633%0.325SS..EExtended strand (participates in β ladder)trans-126.4141.7174.8-63.977.4000110.5M34 V40M34-H36 PolarHBondContact O-ND1 2.88Å; H36-V40 CarbonylContact C-O 3.52Å; H36-V40 WeakPolarHBondContact CA-O 3.43Å
37I69.4Low69.9Low31 Ų3157.5 Ų57.516%0.15931%0.313CS..EExtended strand (participates in β ladder)trans-118.9111.6165.4-64.2170.2000106.4D39 V40 V42 W60 T64 M93I37-D39 PolarHBondContact O-N 3.47Å; I37-V40 PolarHBondContact N-O 2.87Å; I37-V40 PolarHBondContact O-N 3.31Å; I37-V42 HydrophobicContact CB-CG1 4.1Å; I37-V42 HydrophobicContact CD1-CG1 4.02Å; I37-V42 HydrophobicContact CD1-CG2 4.08Å; I37-V42 HydrophobicContact CG1-CG1 4.09Å; I37-V42 HydrophobicContact CG1-CG2 4.06Å; I37-W60 HydrophobicContact CD1-CB 4.44Å; I37-W60 HydrophobicContact CD1-CD2 4.3Å; I37-W60 HydrophobicContact CD1-CE3 3.64Å; I37-W60 HydrophobicContact CD1-CZ3 4.31Å; I37-T64 HydrophobicContact CD1-CG2 3.44Å; I37-T64 VanDerWaalsContact CD1-CG2 3.44Å; I37-T64 HydrophobicContact CG1-CG2 3.95Å; I37-T64 HydrophobicContact CG2-CG2 3.83Å; I37-M93 HydrophobicContact CB-SD 3.95Å; I37-M93 HydrophobicContact CG2-CB 4.44Å; I37-M93 HydrophobicContact CG2-CE 4.46Å; I37-M93 HydrophobicContact CG2-CG 4.39Å; I37-M93 HydrophobicContact CG2-SD 3.61Å
38G68.3Low70.9Confident53 Ų5353.8 Ų53.855%0.54631%0.309SS..THydrogen-bonded Turntrans57.6-120.3-165.900000109.9
39D57.1Low71.9Confident48 Ų4854.6 Ų54.626%0.25731%0.314SS..THydrogen-bonded Turntrans-980-172.7-57.1-4000112.7I37 I98I37-D39 PolarHBondContact O-N 3.47Å; D39-I98 HydrophobicContact CB-CG1 4.24Å; D39-I98 WeakPolarHBondContact OD1-CD1 3.18Å; D39-I98 WeakPolarHBondContact OD1-CG1 3.42Å; D39-I98 WeakPolarHBondContact OD2-CG1 3.37Å
40V54.6Low72.5Confident11 Ų1151.4 Ų51.47%0.06729%0.294CS..EExtended strand (participates in β ladder)trans-105124.1-171.9-177.30000109.8H36 I37 V42 V92 M93 I111H36-V40 CarbonylContact C-O 3.52Å; H36-V40 WeakPolarHBondContact CA-O 3.43Å; I37-V40 PolarHBondContact N-O 2.87Å; I37-V40 PolarHBondContact O-N 3.31Å; V40-V42 HydrophobicContact CG1-CG1 4.26Å; V40-V42 PolarHBondContact O-N 3.19Å; V40-V92 HydrophobicContact CG2-CG1 4.06Å; V40-M93 HydrophobicContact CB-CG 4.36Å; V40-M93 HydrophobicContact CG2-CG 4.05Å; V40-I111 HydrophobicContact CG1-CG2 4.49Å
41M66.4Low73Confident41 Ų4153.7 Ų53.720%0.20230%0.301CS..EExtended strand (participates in β ladder)trans-69.1119.4166.6-172.8-172.675.500108.5M34 L35 L44 Y112M34-M41 HydrophobicContact CB-CG 4.49Å; M34-M41 HydrophobicContact CB-SD 4.47Å; M34-M41 HydrophobicContact CG-SD 4.37Å; M34-M41 HydrophobicContact SD-SD 4.44Å; L35-M41 CarbonylContact O-C 3.52Å; L35-M41 WeakPolarHBondContact O-CA 3.33Å; M41-L44 HydrophobicContact CE-CB 4.41Å; M41-L44 HydrophobicContact SD-CB 4.3Å; M41-L44 HydrophobicContact SD-CD1 4.14Å; M41-Y112 HydrophobicContact CE-CD2 3.64Å; M41-Y112 HydrophobicContact CE-CE2 3.52Å; M41-Y112 HydrophobicContact CE-CG 4.23Å; M41-Y112 WeakPolarHBondContact O-CD2 3.39Å
42V68.4Low73.3Confident6 Ų654.2 Ų54.24%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-105.9-21-176.5-60.30000113.3L35 I37 V40 W60 F115L35-V42 HydrophobicContact CB-CG2 3.74Å; L35-V42 PolarHBondContact O-N 2.91Å; I37-V42 HydrophobicContact CB-CG1 4.1Å; I37-V42 HydrophobicContact CD1-CG1 4.02Å; I37-V42 HydrophobicContact CD1-CG2 4.08Å; I37-V42 HydrophobicContact CG1-CG1 4.09Å; I37-V42 HydrophobicContact CG1-CG2 4.06Å; V40-V42 HydrophobicContact CG1-CG1 4.26Å; V40-V42 PolarHBondContact O-N 3.19Å; V42-W60 HydrophobicContact CB-CD2 4.28Å; V42-W60 HydrophobicContact CB-CE3 4.3Å; V42-W60 HydrophobicContact CB-CH2 3.88Å; V42-W60 HydrophobicContact CB-CZ2 3.83Å; V42-W60 HydrophobicContact CB-CZ3 4.12Å; V42-W60 HydrophobicContact CG2-CD2 3.82Å; V42-W60 HydrophobicContact CG2-CE3 4.17Å; V42-W60 HydrophobicContact CG2-CG 4.23Å; V42-W60 HydrophobicContact CG2-CH2 4.46Å; V42-W60 HydrophobicContact CG2-CZ2 4.12Å; V42-W60 HydrophobicContact CG2-CZ3 4.49Å; V42-W60 VanDerWaalsContact O-CZ2 3.3Å; V42-W60 WeakPolarHBondContact O-CZ2 3.19Å; V42-F115 VanDerWaalsContact CA-CE1 3.47Å; V42-F115 HydrophobicContact CB-CE1 3.58Å; V42-F115 HydrophobicContact CB-CZ 3.55Å; V42-F115 HydrophobicContact CG1-CE1 3.76Å; V42-F115 HydrophobicContact CG1-CE2 4.21Å; V42-F115 HydrophobicContact CG1-CZ 3.35Å
43D73.7Confident73.4Confident35 Ų3552.8 Ų52.819%0.18729%0.291CS..EExtended strand (participates in β ladder)trans-152.9150.9177.3-132.3-38.7000110.9M34 L35 I56 W60M34-D43 WeakPolarHBondContact CA-O 3.35Å; L35-D43 HydrophobicContact CB-CB 3.94Å; L35-D43 PolarHBondContact N-O 3.07Å; L35-D43 PolarHBondContact O-N 2.94Å; D43-I56 VanDerWaalsContact OD2-CG2 3.31Å; D43-I56 WeakPolarHBondContact OD2-CG2 3.35Å; D43-W60 PolarHBondContact OD2-NE1 3.49Å
44L76.2Confident73.4Confident55 Ų5556.1 Ų56.129%0.28831%0.305SS..EExtended strand (participates in β ladder)trans-133.6115.1173.6-175.6143.9000108.2T32 M34 M41 Q46T32-L44 HydrophobicContact CG2-CD1 4.23Å; T32-L44 HydrophobicContact CG2-CD2 4.05Å; T32-L44 HydrophobicContact CG2-CG 3.86Å; M34-L44 HydrophobicContact CE-CD1 4Å; M34-L44 HydrophobicContact CG-CD1 4.14Å; M34-L44 HydrophobicContact CG-CG 4.47Å; M41-L44 HydrophobicContact CE-CB 4.41Å; M41-L44 HydrophobicContact SD-CB 4.3Å; M41-L44 HydrophobicContact SD-CD1 4.14Å; L44-Q46 HydrophobicContact CD2-CG 4.19Å
45L77.8Confident73.4Confident4 Ų456.7 Ų56.72%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-111.6119.5-170.6-60165.4000108.7T32 V33 L35 D49 I50 F53 I56T32-L45 CarbonylContact C-O 3.58Å; T32-L45 VanDerWaalsContact CA-O 3.28Å; T32-L45 WeakPolarHBondContact CA-O 3.32Å; V33-L45 HydrophobicContact CB-CB 4.28Å; V33-L45 PolarHBondContact N-O 3.33Å; V33-L45 PolarHBondContact O-N 2.89Å; L35-L45 HydrophobicContact CD1-CD1 3.71Å; L45-D49 HydrophobicContact CB-CB 4.3Å; L45-D49 HydrophobicContact CD2-CB 3.79Å; L45-I50 HydrophobicContact CB-CG1 4.19Å; L45-F53 HydrophobicContact CD1-CD2 3.48Å; L45-F53 VanDerWaalsContact CD1-CD2 3.48Å; L45-F53 HydrophobicContact CD1-CE2 4.11Å; L45-F53 HydrophobicContact CD1-CG 4.46Å; L45-I56 HydrophobicContact CD1-CD1 4.32Å; L45-I56 HydrophobicContact CD1-CG2 4.22Å; L45-I56 HydrophobicContact CD2-CD1 3.27Å; L45-I56 HydrophobicContact CD2-CG2 4.38Å; L45-I56 HydrophobicContact CG-CD1 4.44Å
46Q77.5Confident73.4Confident86 Ų8657.3 Ų57.340%0.40231%0.308SS..  trans-87.8171.5171.1-64.4-169.5-10.600110.2L44 A48 D49 I50L44-Q46 HydrophobicContact CD2-CG 4.19Å; Q46-A48 PolarHBondContact O-N 2.99Å; Q46-D49 PolarHBondContact O-N 2.91Å; Q46-I50 WeakPolarHBondContact O-CG1 3.32Å; Q46-I50 PolarHBondContact O-N 2.94Å
47E73.5Confident73.8Confident126 Ų12652.6 Ų52.659%0.58929%0.286SS*.Hα-helixtrans-45.9-42.5-172.1-168.7173.9-163.500114.7P31 D49 I50P31-E47 HydrophobicContact CG-CB 4.27Å; P31-E47 HydrophobicContact CG-CG 3.99Å; P31-E47 PolarHBondContact O-N 2.91Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.45Å; E47-I50 PolarHBondContact O-N 3.29Å
48A74.6Confident74.2Confident74 Ų7454.3 Ų54.361%0.61229%0.293SS*.Hα-helixtrans-66-34.717900000113.3Q46Q46-A48 PolarHBondContact O-N 2.99Å
49D75.7Confident74.5Confident76 Ų7654.1 Ų54.141%0.40628%0.277SS..Hα-helixtrans-86.1-22.2-177.1-57.3-54.8000112.4L45 Q46 E47 I51 N52 F53L45-D49 HydrophobicContact CB-CB 4.3Å; L45-D49 HydrophobicContact CD2-CB 3.79Å; Q46-D49 PolarHBondContact O-N 2.91Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.45Å; D49-I51 PolarHBondContact O-N 3.24Å; D49-I51 VanDerWaalsContact O-N 3.17Å; D49-N52 CarbonylContact O-C 3.44Å; D49-N52 WeakPolarHBondContact O-CA 3.18Å; D49-N52 WeakPolarHBondContact O-CB 3.35Å; D49-N52 PolarHBondContact O-N 2.85Å; D49-F53 PolarHBondContact O-N 3.37Å
50I76.2Confident75.3Confident15 Ų1552.2 Ų52.28%0.07727%0.266CS..Hα-helixtrans-57.9-30.8177.8-71.5172.4000111.1M1 P31 V33 L45 Q46 E47 N52 F53M1-I50 HydrophobicContact CE-CG2 3.43Å; M1-I50 VanDerWaalsContact CE-CG2 3.43Å; M1-I50 WeakPolarHBondContact CE-O 2.97Å; P31-I50 HydrophobicContact CB-CD1 3.91Å; P31-I50 HydrophobicContact CG-CD1 3.94Å; P31-I50 WeakPolarHBondContact O-CD1 3.48Å; V33-I50 HydrophobicContact CB-CG1 4.47Å; V33-I50 HydrophobicContact CG2-CD1 3.73Å; V33-I50 HydrophobicContact CG2-CG1 3.89Å; L45-I50 HydrophobicContact CB-CG1 4.19Å; Q46-I50 WeakPolarHBondContact O-CG1 3.32Å; Q46-I50 PolarHBondContact O-N 2.94Å; E47-I50 PolarHBondContact O-N 3.29Å; I50-N52 PolarHBondContact O-N 3.42Å; I50-F53 WeakPolarHBondContact O-CB 3.3Å; I50-F53 PolarHBondContact O-N 3.1Å
51I79.2Confident76.1Confident133 Ų13353.2 Ų53.268%0.68227%0.271SS*.THydrogen-bonded Turntrans-57.6-31.8174.1-66.1161.1000111.5D49D49-I51 PolarHBondContact O-N 3.24Å; D49-I51 VanDerWaalsContact O-N 3.17Å
52N80.5Confident76.2Confident77 Ų7752.7 Ų52.741%0.41227%0.267SS..THydrogen-bonded Turntrans-94.710.2177.6-63.3-51.4000113.2D49 I50 E54 K55 I56D49-N52 CarbonylContact O-C 3.44Å; D49-N52 WeakPolarHBondContact O-CA 3.18Å; D49-N52 WeakPolarHBondContact O-CB 3.35Å; D49-N52 PolarHBondContact O-N 2.85Å; I50-N52 PolarHBondContact O-N 3.42Å; N52-E54 PolarHBondContact O-N 3.44Å; N52-E54 VanDerWaalsContact O-N 3.16Å; N52-K55 PolarHBondContact O-N 3.18Å; N52-I56 HydrophobicContact CB-CD1 4.31Å; N52-I56 WeakPolarHBondContact O-CG1 3.22Å; N52-I56 PolarHBondContact O-N 2.8Å; N52-I56 VanDerWaalsContact O-N 3.11Å
53F81.8Confident76.1Confident5 Ų553.8 Ų53.82%0.02227%0.273CS..Hα-helixtrans-53.9-40-174.8177.6-90.5000112.5L2 L5 F14 V33 L35 L45 D49 I50 K55 I56 L57L2-F53 HydrophobicContact CD2-CD1 3.75Å; L2-F53 HydrophobicContact CD2-CD2 4.2Å; L2-F53 HydrophobicContact CD2-CE1 3.85Å; L2-F53 HydrophobicContact CD2-CE2 4.31Å; L2-F53 HydrophobicContact CD2-CG 3.94Å; L2-F53 HydrophobicContact CD2-CZ 4.15Å; L5-F53 HydrophobicContact CD1-CD1 3.49Å; L5-F53 VanDerWaalsContact CD1-CD1 3.49Å; L5-F53 HydrophobicContact CD1-CE1 4.01Å; F14-F53 AromaticContact CE1-CE1 3.72Å; F14-F53 HydrophobicContact CE1-CE1 3.72Å; F14-F53 AromaticContact CE1-CZ 3.77Å; F14-F53 HydrophobicContact CE1-CZ 3.77Å; F14-F53 HydrophobicContact CZ-CE1 4.09Å; F14-F53 HydrophobicContact CZ-CZ 4.33Å; V33-F53 HydrophobicContact CB-CD2 4.38Å; V33-F53 HydrophobicContact CB-CE2 4.31Å; V33-F53 HydrophobicContact CG1-CD2 3.95Å; V33-F53 HydrophobicContact CG1-CE2 3.41Å; V33-F53 VanDerWaalsContact CG1-CE2 3.41Å; V33-F53 HydrophobicContact CG1-CZ 4.33Å; L35-F53 HydrophobicContact CD1-CD2 4.05Å; L35-F53 HydrophobicContact CD1-CE2 3.34Å; L35-F53 HydrophobicContact CD1-CZ 4.12Å; L35-F53 HydrophobicContact CG-CE2 4.48Å; L45-F53 HydrophobicContact CD1-CD2 3.48Å; L45-F53 VanDerWaalsContact CD1-CD2 3.48Å; L45-F53 HydrophobicContact CD1-CE2 4.11Å; L45-F53 HydrophobicContact CD1-CG 4.46Å; D49-F53 PolarHBondContact O-N 3.37Å; I50-F53 WeakPolarHBondContact O-CB 3.3Å; I50-F53 PolarHBondContact O-N 3.1Å; F53-K55 PolarHBondContact O-N 3.18Å; F53-I56 PolarHBondContact O-N 3.39Å; F53-L57 HydrophobicContact CE1-CB 4.25Å; F53-L57 HydrophobicContact CE1-CD1 4.28Å; F53-L57 HydrophobicContact CE1-CD2 4.03Å; F53-L57 HydrophobicContact CE1-CG 4.43Å; F53-L57 HydrophobicContact CZ-CD1 4.07Å; F53-L57 VanDerWaalsContact O-CB 3.31Å; F53-L57 WeakPolarHBondContact O-CB 3.41Å; F53-L57 PolarHBondContact O-N 3.33Å
54E81.2Confident75.7Confident95 Ų9554.2 Ų54.244%0.44428%0.278SS..Hα-helixtrans-63.9-42.4179.6-175.5166.2-156.900112.6L5 Y9 N52 I56 L57 F58L5-E54 HydrophobicContact CD1-CB 4.33Å; L5-E54 HydrophobicContact CD2-CB 4.17Å; L5-E54 HydrophobicContact CD2-CG 4.07Å; Y9-E54 HydrophobicContact CE2-CG 4.17Å; Y9-E54 WeakPolarHBondContact OH-CG 3.4Å; Y9-E54 PolarHBondContact OH-OE1 3.43Å; N52-E54 PolarHBondContact O-N 3.44Å; N52-E54 VanDerWaalsContact O-N 3.16Å; E54-I56 VanDerWaalsContact C-N 3.28Å; E54-I56 PolarHBondContact O-N 3.48Å; E54-L57 PolarHBondContact O-N 2.79Å; E54-F58 WeakPolarHBondContact O-CB 3.37Å; E54-F58 PolarHBondContact O-N 3.13Å
55K79.7Confident75.2Confident98 Ų9854.7 Ų54.743%0.42628%0.28SS..Hα-helixtrans-63.1-38.7175.8-62.6-167.7-177.4-156.10111.2N52 F53 K59 E137N52-K55 PolarHBondContact O-N 3.18Å; F53-K55 PolarHBondContact O-N 3.18Å; K55-K59 WeakPolarHBondContact O-CB 3.27Å; K55-K59 PolarHBondContact O-N 2.97Å; K55-E137 WeakPolarHBondContact CE-OE1 3.15Å; K55-E137 IonicContact NZ-OE1 3.23Å; K55-E137 PolarHBondContact NZ-OE1 3.17Å; K55-E137 IonicContact NZ-OE2 3.66Å; K55-E137 PolarHBondContact NZ-OE2 3.17Å
56I79.1Confident74.4Confident29 Ų2958.3 Ų58.315%0.14930%0.304CS..Hα-helixtrans-71-42.5179.6-64.8170.1000110.5L35 D43 L45 N52 F53 E54 F58 K59 W60L35-I56 HydrophobicContact CD2-CG2 4.45Å; D43-I56 VanDerWaalsContact OD2-CG2 3.31Å; D43-I56 WeakPolarHBondContact OD2-CG2 3.35Å; L45-I56 HydrophobicContact CD1-CD1 4.32Å; L45-I56 HydrophobicContact CD1-CG2 4.22Å; L45-I56 HydrophobicContact CD2-CD1 3.27Å; L45-I56 HydrophobicContact CD2-CG2 4.38Å; L45-I56 HydrophobicContact CG-CD1 4.44Å; N52-I56 HydrophobicContact CB-CD1 4.31Å; N52-I56 WeakPolarHBondContact O-CG1 3.22Å; N52-I56 PolarHBondContact O-N 2.8Å; N52-I56 VanDerWaalsContact O-N 3.11Å; F53-I56 PolarHBondContact O-N 3.39Å; E54-I56 VanDerWaalsContact C-N 3.28Å; E54-I56 PolarHBondContact O-N 3.48Å; I56-F58 VanDerWaalsContact C-N 3.33Å; I56-F58 PolarHBondContact O-N 2.8Å; I56-K59 WeakPolarHBondContact O-CB 3.27Å; I56-K59 PolarHBondContact O-N 3.35Å; I56-W60 PolarHBondContact O-N 2.99Å
57L78.4Confident73.6Confident6 Ų657.3 Ų57.33%0.03131%0.31CS..Hα-helixtrans-60.3-45174.9-168.472.7000111.2Y9 V12 F14 L35 F53 E54 K59 W60 L61Y9-L57 HydrophobicContact CD1-CD2 3.82Å; Y9-L57 HydrophobicContact CD2-CD2 3.63Å; Y9-L57 HydrophobicContact CE1-CD2 4.2Å; Y9-L57 HydrophobicContact CE2-CD2 4.08Å; Y9-L57 HydrophobicContact CG-CD2 3.49Å; Y9-L57 VanDerWaalsContact CG-CD2 3.49Å; V12-L57 HydrophobicContact CG1-CD1 4.06Å; V12-L57 HydrophobicContact CG2-CD1 4.11Å; V12-L57 HydrophobicContact CG2-CD2 4.38Å; V12-L57 HydrophobicContact CG2-CG 4.46Å; F14-L57 HydrophobicContact CZ-CD2 4.21Å; L35-L57 HydrophobicContact CD2-CD1 4.1Å; F53-L57 HydrophobicContact CE1-CB 4.25Å; F53-L57 HydrophobicContact CE1-CD1 4.28Å; F53-L57 HydrophobicContact CE1-CD2 4.03Å; F53-L57 HydrophobicContact CE1-CG 4.43Å; F53-L57 HydrophobicContact CZ-CD1 4.07Å; F53-L57 VanDerWaalsContact O-CB 3.31Å; F53-L57 WeakPolarHBondContact O-CB 3.41Å; F53-L57 PolarHBondContact O-N 3.33Å; E54-L57 PolarHBondContact O-N 2.79Å; L57-K59 PolarHBondContact O-N 2.99Å; L57-W60 PolarHBondContact O-N 3.24Å; L57-L61 HydrophobicContact CG-CD1 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.07Å
58F77.9Confident72.8Confident67 Ų6754.9 Ų54.929%0.29430%0.296SS..Hα-helixtrans-63.3-41.5178.1-172.6-108.6000112.5E54 I56 W60 L61 R62E54-F58 WeakPolarHBondContact O-CB 3.37Å; E54-F58 PolarHBondContact O-N 3.13Å; I56-F58 VanDerWaalsContact C-N 3.33Å; I56-F58 PolarHBondContact O-N 2.8Å; F58-W60 VanDerWaalsContact C-N 3.32Å; F58-W60 PolarHBondContact O-N 3.36Å; F58-L61 PolarHBondContact O-N 2.84Å; F58-R62 HydrophobicContact CE1-CG 4.47Å; F58-R62 VanDerWaalsContact CE1-NH2 3.33Å; F58-R62 PolarHBondContact O-N 3.12Å
59K75.2Confident71.9Confident50 Ų5054.9 Ų54.922%0.21728%0.28CS..Hα-helixtrans-54.5-48.4171.3173.3-165.3177-169.30110.9K55 I56 L57 R62 V63 F123K55-K59 WeakPolarHBondContact O-CB 3.27Å; K55-K59 PolarHBondContact O-N 2.97Å; I56-K59 WeakPolarHBondContact O-CB 3.27Å; I56-K59 PolarHBondContact O-N 3.35Å; L57-K59 PolarHBondContact O-N 2.99Å; K59-R62 PolarHBondContact O-N 2.94Å; K59-V63 WeakPolarHBondContact O-CG2 3.47Å; K59-V63 PolarHBondContact O-N 3.39Å; K59-F123 HydrophobicContact CD-CZ 4.43Å
60W74.7Confident70.7Confident8 Ų857.8 Ų57.83%0.0329%0.292CS..Hα-helixtrans-69.6-38.4-178.9-75.2115.4000113.2L35 I37 V42 D43 I56 L57 F58 R62 V63 T64 F115 L119L35-W60 HydrophobicContact CD2-CB 4.18Å; L35-W60 HydrophobicContact CD2-CG 3.91Å; I37-W60 HydrophobicContact CD1-CB 4.44Å; I37-W60 HydrophobicContact CD1-CD2 4.3Å; I37-W60 HydrophobicContact CD1-CE3 3.64Å; I37-W60 HydrophobicContact CD1-CZ3 4.31Å; V42-W60 HydrophobicContact CB-CD2 4.28Å; V42-W60 HydrophobicContact CB-CE3 4.3Å; V42-W60 HydrophobicContact CB-CH2 3.88Å; V42-W60 HydrophobicContact CB-CZ2 3.83Å; V42-W60 HydrophobicContact CB-CZ3 4.12Å; V42-W60 HydrophobicContact CG2-CD2 3.82Å; V42-W60 HydrophobicContact CG2-CE3 4.17Å; V42-W60 HydrophobicContact CG2-CG 4.23Å; V42-W60 HydrophobicContact CG2-CH2 4.46Å; V42-W60 HydrophobicContact CG2-CZ2 4.12Å; V42-W60 HydrophobicContact CG2-CZ3 4.49Å; V42-W60 VanDerWaalsContact O-CZ2 3.3Å; V42-W60 WeakPolarHBondContact O-CZ2 3.19Å; D43-W60 PolarHBondContact OD2-NE1 3.49Å; I56-W60 PolarHBondContact O-N 2.99Å; L57-W60 PolarHBondContact O-N 3.24Å; F58-W60 VanDerWaalsContact C-N 3.32Å; F58-W60 PolarHBondContact O-N 3.36Å; W60-R62 VanDerWaalsContact C-N 3.29Å; W60-R62 PolarHBondContact O-N 3.42Å; W60-V63 HydrophobicContact CE3-CB 4.2Å; W60-V63 HydrophobicContact CE3-CG1 4.38Å; W60-V63 HydrophobicContact CE3-CG2 4.32Å; W60-V63 HydrophobicContact CZ3-CG1 4.3Å; W60-V63 HydrophobicContact CZ3-CG2 4.48Å; W60-V63 PolarHBondContact O-N 3.22Å; W60-V63 VanDerWaalsContact O-N 3.13Å; W60-T64 PolarHBondContact O-N 2.97Å; W60-T64 PolarHBondContact O-OG1 3.41Å; W60-F115 AromaticContact CH2-CE1 3.63Å; W60-F115 HydrophobicContact CH2-CE1 3.63Å; W60-F115 HydrophobicContact CH2-CE2 4.35Å; W60-F115 AromaticContact CH2-CZ 3.29Å; W60-F115 HydrophobicContact CH2-CZ 3.29Å; W60-F115 HydrophobicContact CZ2-CE1 4.23Å; W60-F115 HydrophobicContact CZ2-CZ 4.25Å; W60-F115 HydrophobicContact CZ3-CE1 4.39Å; W60-F115 HydrophobicContact CZ3-CE2 4.44Å; W60-F115 AromaticContact CZ3-CZ 3.61Å; W60-F115 HydrophobicContact CZ3-CZ 3.61Å; W60-L119 HydrophobicContact CH2-CD1 3.56Å; W60-L119 HydrophobicContact CH2-CD2 3.89Å; W60-L119 HydrophobicContact CH2-CG 4.38Å; W60-L119 HydrophobicContact CZ2-CD1 4.23Å; W60-L119 HydrophobicContact CZ3-CD2 4.33Å
61L71.5Confident69.5Low31 Ų3164 Ų6416%0.16232%0.32CS..Hα-helixtrans-58-42.5173.3-75.7170.1000111.7Y9 Q11 V12 L57 F58 V63 T64 D65Y9-L61 HydrophobicContact CD1-CD1 3.47Å; Y9-L61 VanDerWaalsContact CD1-CD1 3.47Å; Y9-L61 HydrophobicContact CE1-CD1 3.71Å; Q11-L61 HydrophobicContact CG-CD2 3.78Å; V12-L61 HydrophobicContact CG2-CD2 3.96Å; L57-L61 HydrophobicContact CG-CD1 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.07Å; F58-L61 PolarHBondContact O-N 2.84Å; L61-V63 PolarHBondContact O-N 3.37Å; L61-T64 WeakPolarHBondContact CA-OG1 3.36Å; L61-T64 PolarHBondContact O-N 3.35Å; L61-T64 PolarHBondContact O-OG1 2.78Å; L61-D65 WeakPolarHBondContact O-CB 3.3Å; L61-D65 PolarHBondContact O-N 3.39Å
62R68.3Low67.9Low30 Ų3059.8 Ų59.811%0.11330%0.296CS..Hα-helixtrans-63.5-38.2175.1-76.2-174170-178.8-0.2113F58 K59 W60 T64 D65 Y68 D136F58-R62 HydrophobicContact CE1-CG 4.47Å; F58-R62 VanDerWaalsContact CE1-NH2 3.33Å; F58-R62 PolarHBondContact O-N 3.12Å; K59-R62 PolarHBondContact O-N 2.94Å; W60-R62 VanDerWaalsContact C-N 3.29Å; W60-R62 PolarHBondContact O-N 3.42Å; R62-T64 VanDerWaalsContact C-N 3.31Å; R62-D65 PolarHBondContact O-N 2.83Å; R62-Y68 HydrophobicContact CB-CD1 4.35Å; R62-Y68 HydrophobicContact CB-CG 4.21Å; R62-Y68 HydrophobicContact CG-CD1 4.22Å; R62-Y68 HydrophobicContact CG-CD2 4.16Å; R62-Y68 HydrophobicContact CG-CE1 4.32Å; R62-Y68 HydrophobicContact CG-CE2 4.25Å; R62-Y68 HydrophobicContact CG-CG 4.15Å; R62-Y68 VanDerWaalsContact CZ-OH 3.26Å; R62-Y68 PolarHBondContact NE-OH 2.8Å; R62-Y68 PolarHBondContact NH2-OH 3.34Å; R62-Y68 VanDerWaalsContact NH2-OH 3.1Å; R62-Y68 VanDerWaalsContact O-CB 3.24Å; R62-Y68 WeakPolarHBondContact O-CB 3.2Å; R62-D136 IonicContact CZ-OD2 3.83Å; R62-D136 IonicContact NH2-OD2 2.74Å; R62-D136 PolarHBondContact NH2-OD2 2.92Å
63V66.4Low66.1Low29 Ų2956.8 Ų56.818%0.17628%0.28CS..Hα-helixtrans-64.9-38.9175.4173.60000110.9K59 W60 L61K59-V63 WeakPolarHBondContact O-CG2 3.47Å; K59-V63 PolarHBondContact O-N 3.39Å; W60-V63 HydrophobicContact CE3-CB 4.2Å; W60-V63 HydrophobicContact CE3-CG1 4.38Å; W60-V63 HydrophobicContact CE3-CG2 4.32Å; W60-V63 HydrophobicContact CZ3-CG1 4.3Å; W60-V63 HydrophobicContact CZ3-CG2 4.48Å; W60-V63 PolarHBondContact O-N 3.22Å; W60-V63 VanDerWaalsContact O-N 3.13Å; L61-V63 PolarHBondContact O-N 3.37Å
64T64.5Low64.5Low45 Ų4560.6 Ų60.628%0.27631%0.307SS..Hα-helixtrans-75.6-21.8177.958.10000113.8I37 W60 L61 R62 P66 R69I37-T64 HydrophobicContact CD1-CG2 3.44Å; I37-T64 VanDerWaalsContact CD1-CG2 3.44Å; I37-T64 HydrophobicContact CG1-CG2 3.95Å; I37-T64 HydrophobicContact CG2-CG2 3.83Å; W60-T64 PolarHBondContact O-N 2.97Å; W60-T64 PolarHBondContact O-OG1 3.41Å; L61-T64 WeakPolarHBondContact CA-OG1 3.36Å; L61-T64 PolarHBondContact O-N 3.35Å; L61-T64 PolarHBondContact O-OG1 2.78Å; R62-T64 VanDerWaalsContact C-N 3.31Å; T64-P66 WeakPolarHBondContact O-CD 3.43Å; T64-R69 PolarHBondContact O-NE 3.24Å; T64-R69 PolarHBondContact O-NH2 2.9Å
65D65.3Low62.7Low65 Ų6564 Ų6435%0.34832%0.323SS..  trans-74115.3-177.8-176.8-14.3000111.5L61 R62 A67 Y68 R69L61-D65 WeakPolarHBondContact O-CB 3.3Å; L61-D65 PolarHBondContact O-N 3.39Å; R62-D65 PolarHBondContact O-N 2.83Å; D65-A67 PolarHBondContact O-N 2.97Å; D65-A67 VanDerWaalsContact O-N 3.12Å; D65-A67 WeakPolarHBondContact OD1-CB 3.48Å; D65-A67 PolarHBondContact OD1-N 3.42Å; D65-Y68 PolarHBondContact O-N 3.19Å; D65-Y68 VanDerWaalsContact O-N 3.13Å; D65-R69 WeakPolarHBondContact O-CG 3.03Å; D65-R69 PolarHBondContact O-N 2.92Å
66P61.2Low61Low79 Ų7960.5 Ų60.551%0.51331%0.309SS..Hα-helixtrans-52-32.5177.1-20.829.5000114.6T64 R69T64-P66 WeakPolarHBondContact O-CD 3.43Å; P66-R69 WeakPolarHBondContact O-CB 3.32Å
67A61.4Low59.2Low65 Ų6562.7 Ų62.754%0.53732%0.321SS..Hα-helixtrans-71.4-41.3-179.600000111.7D65 R69 H70D65-A67 PolarHBondContact O-N 2.97Å; D65-A67 VanDerWaalsContact O-N 3.12Å; D65-A67 WeakPolarHBondContact OD1-CB 3.48Å; D65-A67 PolarHBondContact OD1-N 3.42Å; A67-R69 VanDerWaalsContact C-N 3.34Å; A67-H70 PolarHBondContact O-N 2.92Å
68Y57Low57.7Low75 Ų7571.5 Ų71.529%0.29436%0.364SS..Hα-helixtrans-72.2-26.6175.5-99.7-86.6000112.9R62 D65 H70 H71 Y72R62-Y68 HydrophobicContact CB-CD1 4.35Å; R62-Y68 HydrophobicContact CB-CG 4.21Å; R62-Y68 HydrophobicContact CG-CD1 4.22Å; R62-Y68 HydrophobicContact CG-CD2 4.16Å; R62-Y68 HydrophobicContact CG-CE1 4.32Å; R62-Y68 HydrophobicContact CG-CE2 4.25Å; R62-Y68 HydrophobicContact CG-CG 4.15Å; R62-Y68 VanDerWaalsContact CZ-OH 3.26Å; R62-Y68 PolarHBondContact NE-OH 2.8Å; R62-Y68 PolarHBondContact NH2-OH 3.34Å; R62-Y68 VanDerWaalsContact NH2-OH 3.1Å; R62-Y68 VanDerWaalsContact O-CB 3.24Å; R62-Y68 WeakPolarHBondContact O-CB 3.2Å; D65-Y68 PolarHBondContact O-N 3.19Å; D65-Y68 VanDerWaalsContact O-N 3.13Å; Y68-H70 PolarHBondContact O-N 3.07Å; Y68-H71 WeakPolarHBondContact O-CB 3.48Å; Y68-H71 PolarHBondContact O-N 3.43Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.33Å; Y68-Y72 PolarHBondContact O-N 2.7Å
69R54.1Low56.3Low74 Ų7471.8 Ų71.828%0.27937%0.369SS..Hα-helixtrans-56.7-33.5173.2-68.5177.8-137171.23.5112.2T64 D65 P66 A67 H71 Y72 T73T64-R69 PolarHBondContact O-NE 3.24Å; T64-R69 PolarHBondContact O-NH2 2.9Å; D65-R69 WeakPolarHBondContact O-CG 3.03Å; D65-R69 PolarHBondContact O-N 2.92Å; P66-R69 WeakPolarHBondContact O-CB 3.32Å; A67-R69 VanDerWaalsContact C-N 3.34Å; R69-H71 VanDerWaalsContact C-N 3.29Å; R69-H71 PolarHBondContact O-N 3.01Å; R69-Y72 PolarHBondContact O-N 2.68Å; R69-T73 WeakPolarHBondContact O-CB 3.36Å; R69-T73 WeakPolarHBondContact O-CG2 3.48Å; R69-T73 PolarHBondContact O-N 3.12Å; R69-T73 PolarHBondContact O-OG1 2.94Å
70H51.7Low55.3Low138 Ų13878.3 Ų78.364%0.63940%0.397SS*.Hα-helixtrans-64.8-32.2175-84.2-54.8000113.1A67 Y68 T73 S74A67-H70 PolarHBondContact O-N 2.92Å; Y68-H70 PolarHBondContact O-N 3.07Å; H70-T73 WeakPolarHBondContact CA-OG1 3.16Å; H70-T73 PolarHBondContact O-OG1 3.02Å; H70-S74 VanDerWaalsContact O-CB 3.29Å; H70-S74 WeakPolarHBondContact O-CB 2.87Å; H70-S74 PolarHBondContact O-N 3.47Å
71H50.2Low54.2Low144 Ų14481.6 Ų81.667%0.66742%0.418SS*.Hα-helixtrans-70.5-42.3175.6-95.8-46.8000112.8Y68 R69Y68-H71 WeakPolarHBondContact O-CB 3.48Å; Y68-H71 PolarHBondContact O-N 3.43Å; R69-H71 VanDerWaalsContact C-N 3.29Å; R69-H71 PolarHBondContact O-N 3.01Å
72Y45.2Very low53.1Low46 Ų4680.3 Ų80.318%0.1841%0.412CS..Hα-helixtrans-66.7-43.3174.3-72-75.4000111.5Y68 R69 L76 I128Y68-Y72 WeakPolarHBondContact O-CD2 3.33Å; Y68-Y72 PolarHBondContact O-N 2.7Å; R69-Y72 PolarHBondContact O-N 2.68Å; Y72-L76 VanDerWaalsContact O-CB 3.31Å; Y72-L76 WeakPolarHBondContact O-CB 3.37Å; Y72-L76 WeakPolarHBondContact O-CD1 3.33Å; Y72-L76 PolarHBondContact O-N 2.87Å; Y72-I128 HydrophobicContact CD1-CD1 4.4Å; Y72-I128 HydrophobicContact CE1-CD1 3.62Å; Y72-I128 HydrophobicContact CE1-CG1 4.1Å
73T44.4Very low52.3Low14 Ų1484.4 Ų84.49%0.08643%0.427CS..Hα-helixtrans-71.4-34.7-176.951.70000112.4R69 H70 E75 L76 L77 L86R69-T73 WeakPolarHBondContact O-CB 3.36Å; R69-T73 WeakPolarHBondContact O-CG2 3.48Å; R69-T73 PolarHBondContact O-N 3.12Å; R69-T73 PolarHBondContact O-OG1 2.94Å; H70-T73 WeakPolarHBondContact CA-OG1 3.16Å; H70-T73 PolarHBondContact O-OG1 3.02Å; T73-E75 PolarHBondContact O-N 3.19Å; T73-L76 PolarHBondContact O-N 3.48Å; T73-L77 WeakPolarHBondContact O-CA 3.5Å; T73-L77 WeakPolarHBondContact O-CB 3.35Å; T73-L77 WeakPolarHBondContact O-CD1 3.47Å; T73-L77 WeakPolarHBondContact O-CG 3.39Å; T73-L77 PolarHBondContact O-N 2.81Å; T73-L86 HydrophobicContact CG2-CD2 4.13Å
74S46.4Very low51.9Low85 Ų8585.9 Ų85.959%0.59444%0.443SS*.Hα-helixtrans-46.6-41.1-178177.50000114.6H70H70-S74 VanDerWaalsContact O-CB 3.29Å; H70-S74 WeakPolarHBondContact O-CB 2.87Å; H70-S74 PolarHBondContact O-N 3.47Å
75E45.2Very low51.4Low165 Ų16589.1 Ų89.177%0.77145%0.453SS*.Hα-helixtrans-101-32.2176.9-71.6-173.2162.400113.6T73 L77 M78T73-E75 PolarHBondContact O-N 3.19Å; E75-L77 PolarHBondContact O-N 2.89Å; E75-M78 PolarHBondContact O-N 3.39Å
76L42.7Very low50.9Low26 Ų2687.5 Ų87.514%0.13644%0.444CS..Hα-helixtrans-64.4-19.7172.1-91.1136.4000113.4Y72 T73 M78 D79 A82 I122 C126Y72-L76 VanDerWaalsContact O-CB 3.31Å; Y72-L76 WeakPolarHBondContact O-CB 3.37Å; Y72-L76 WeakPolarHBondContact O-CD1 3.33Å; Y72-L76 PolarHBondContact O-N 2.87Å; T73-L76 PolarHBondContact O-N 3.48Å; L76-M78 PolarHBondContact O-N 3.42Å; L76-M78 VanDerWaalsContact O-N 3.1Å; L76-D79 PolarHBondContact O-N 2.66Å; L76-A82 HydrophobicContact CD2-CB 3.39Å; L76-I122 HydrophobicContact CD1-CG2 4.44Å; L76-I122 HydrophobicContact CD2-CG1 4.29Å; L76-C126 WeakPolarHBondContact CD1-SG 3.24Å; L76-C126 WeakPolarHBondContact CG-SG 3.06Å
77L42Very low50.9Low75 Ų7587.9 Ų87.939%0.39344%0.442SS..THydrogen-bonded Turntrans-65.7-7.2-179.3-84.2165.6000114.4T73 E75 D79T73-L77 WeakPolarHBondContact O-CA 3.5Å; T73-L77 WeakPolarHBondContact O-CB 3.35Å; T73-L77 WeakPolarHBondContact O-CD1 3.47Å; T73-L77 WeakPolarHBondContact O-CG 3.39Å; T73-L77 PolarHBondContact O-N 2.81Å; E75-L77 PolarHBondContact O-N 2.89Å; L77-D79 VanDerWaalsContact C-N 3.27Å
78M46.2Very low50.7Low190 Ų19091.7 Ų91.794%0.93645%0.446SS*.THydrogen-bonded Turntrans-72.9-21.1168.1-66.8-151.7168.600112.7E75 L76E75-M78 PolarHBondContact O-N 3.39Å; L76-M78 PolarHBondContact O-N 3.42Å; L76-M78 VanDerWaalsContact O-N 3.1Å
79D49.3Very low50.8Low74 Ų7489.2 Ų89.240%0.39644%0.438SS..  trans-114100.6173.5-163.5-20.7000111.1L76 L77 T81 A82L76-D79 PolarHBondContact O-N 2.66Å; L77-D79 VanDerWaalsContact C-N 3.27Å; D79-T81 PolarHBondContact O-N 3.49Å; D79-T81 VanDerWaalsContact OD1-CB 3.24Å; D79-T81 WeakPolarHBondContact OD1-CB 3.49Å; D79-T81 PolarHBondContact OD1-N 2.86Å; D79-T81 VanDerWaalsContact OD1-N 3.12Å; D79-T81 PolarHBondContact OD1-OG1 3.18Å; D79-A82 PolarHBondContact O-N 2.99Å
80K52.8Low51Low187 Ų18786.8 Ų86.881%0.81343%0.43SS*.Hα-helixtrans-49.7-27178.4-73.5-179.1176.3178.30113A84K80-A84 PolarHBondContact O-N 3.13Å
81T52.8Low51.4Low77 Ų7786.8 Ų86.847%0.47243%0.43SS..Hα-helixtrans-68.9-38.1-178-34.90000112D79 K85D79-T81 PolarHBondContact O-N 3.49Å; D79-T81 VanDerWaalsContact OD1-CB 3.24Å; D79-T81 WeakPolarHBondContact OD1-CB 3.49Å; D79-T81 PolarHBondContact OD1-N 2.86Å; D79-T81 VanDerWaalsContact OD1-N 3.12Å; D79-T81 PolarHBondContact OD1-OG1 3.18Å; T81-K85 WeakPolarHBondContact O-CG 3.31Å; T81-K85 PolarHBondContact O-N 3.2Å; T81-K85 VanDerWaalsContact O-N 3.1Å
82A47.3Very low51.6Low4 Ų482.2 Ų82.23%0.03341%0.413CS..Hα-helixtrans-72.9-39.2-176.600000111.9L76 D79 K85 L86 F118 F121L76-A82 HydrophobicContact CD2-CB 3.39Å; D79-A82 PolarHBondContact O-N 2.99Å; A82-K85 PolarHBondContact O-N 3.37Å; A82-L86 WeakPolarHBondContact O-CB 3.37Å; A82-L86 PolarHBondContact O-N 3.43Å; A82-F118 HydrophobicContact CB-CE2 4.46Å; A82-F118 WeakPolarHBondContact O-CZ 3.03Å; A82-F121 HydrophobicContact CB-CE1 4.41Å
83R51.9Low52Low116 Ų11680.6 Ų80.644%0.43841%0.407SS..Hα-helixtrans-64.7-44.5173.7-177.7159.7-178.5-171.48112.4K85 L86 D87R83-K85 VanDerWaalsContact C-N 3.29Å; R83-K85 PolarHBondContact O-N 3.37Å; R83-L86 PolarHBondContact O-N 3.38Å; R83-D87 PolarHBondContact O-N 3.05Å
84A58.5Low52.4Low60 Ų6085.1 Ų85.150%0.49643%0.43SS..Hα-helixtrans-61.7-37.7177.800000112.4K80 K88K80-A84 PolarHBondContact O-N 3.13Å; A84-K88 VanDerWaalsContact O-CB 3.27Å; A84-K88 WeakPolarHBondContact O-CB 3.42Å; A84-K88 PolarHBondContact O-N 3.28Å
85K53.4Low52.6Low113 Ų11384.1 Ų84.149%0.49142%0.424SS..Hα-helixtrans-68.3-40.2174.4-75.4179.9179.1-177.30112.4T81 A82 R83 L89 F118T81-K85 WeakPolarHBondContact O-CG 3.31Å; T81-K85 PolarHBondContact O-N 3.2Å; T81-K85 VanDerWaalsContact O-N 3.1Å; A82-K85 PolarHBondContact O-N 3.37Å; R83-K85 VanDerWaalsContact C-N 3.29Å; R83-K85 PolarHBondContact O-N 3.37Å; K85-L89 VanDerWaalsContact O-CB 3.3Å; K85-L89 WeakPolarHBondContact O-CB 3.3Å; K85-L89 PolarHBondContact O-N 2.95Å; K85-F118 HydrophobicContact CB-CD2 3.81Å; K85-F118 HydrophobicContact CB-CE1 4.37Å; K85-F118 HydrophobicContact CB-CE2 3.37Å; K85-F118 HydrophobicContact CB-CG 4.48Å; K85-F118 HydrophobicContact CB-CZ 3.68Å; K85-F118 HydrophobicContact CD-CD2 3.62Å; K85-F118 HydrophobicContact CD-CE2 3.74Å; K85-F118 HydrophobicContact CG-CD2 4.36Å; K85-F118 HydrophobicContact CG-CE2 4.2Å
86L55.7Low52.4Low30 Ų3082.2 Ų82.216%0.15742%0.423CS..Hα-helixtrans-64.1-44.7174.7-176.766.1000111.7T73 A82 R83 L89 M90 F118T73-L86 HydrophobicContact CG2-CD2 4.13Å; A82-L86 WeakPolarHBondContact O-CB 3.37Å; A82-L86 PolarHBondContact O-N 3.43Å; R83-L86 PolarHBondContact O-N 3.38Å; L86-L89 HydrophobicContact CD1-CD2 4.41Å; L86-L89 WeakPolarHBondContact O-CB 3.48Å; L86-L89 PolarHBondContact O-N 3Å; L86-M90 VanDerWaalsContact O-CG 3.32Å; L86-M90 WeakPolarHBondContact O-CG 3.43Å; L86-M90 PolarHBondContact O-N 2.76Å; L86-F118 HydrophobicContact CB-CE1 4.31Å; L86-F118 HydrophobicContact CB-CZ 4.22Å; L86-F118 HydrophobicContact CD1-CE1 4.44Å
87D61.3Low52.4Low88 Ų8886.3 Ų86.347%0.47145%0.445SS..Hα-helixtrans-65.2-41.8178.5-72.5-25.4000111.2R83 L89 M90 E91R83-D87 PolarHBondContact O-N 3.05Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.04Å; D87-M90 WeakPolarHBondContact O-CB 3.24Å; D87-M90 PolarHBondContact O-N 3.21Å; D87-E91 PolarHBondContact O-N 2.8Å
88K57.7Low52.3Low144 Ų14488 Ų8863%0.62645%0.454SS*.Hα-helixtrans-63.8-37.5175.1-166.1173.8-175-176.30112.2A84 E91 V92A84-K88 VanDerWaalsContact O-CB 3.27Å; A84-K88 WeakPolarHBondContact O-CB 3.42Å; A84-K88 PolarHBondContact O-N 3.28Å; K88-E91 WeakPolarHBondContact O-CB 3.3Å; K88-E91 PolarHBondContact O-N 3.27Å; K88-V92 WeakPolarHBondContact O-CG2 3.37Å; K88-V92 PolarHBondContact O-N 3.31Å; K88-V92 VanDerWaalsContact O-N 3.1Å
89L58.1Low51.9Low23 Ų2383.4 Ų83.412%0.1245%0.445CS..Hα-helixtrans-63.9-44.4172.6175.270.5000111.3K85 L86 D87 E91 V92 M93 F115K85-L89 VanDerWaalsContact O-CB 3.3Å; K85-L89 WeakPolarHBondContact O-CB 3.3Å; K85-L89 PolarHBondContact O-N 2.95Å; L86-L89 HydrophobicContact CD1-CD2 4.41Å; L86-L89 WeakPolarHBondContact O-CB 3.48Å; L86-L89 PolarHBondContact O-N 3Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.04Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 PolarHBondContact O-N 2.84Å; L89-V92 PolarHBondContact O-N 2.92Å; L89-M93 HydrophobicContact CD1-CG 4.46Å; L89-M93 HydrophobicContact CD1-SD 4.49Å; L89-M93 HydrophobicContact CD2-CE 4.27Å; L89-M93 HydrophobicContact CG-CE 3.96Å; L89-M93 HydrophobicContact CG-SD 4.25Å; L89-M93 WeakPolarHBondContact O-CG 3.41Å; L89-M93 PolarHBondContact O-N 2.87Å; L89-F115 HydrophobicContact CD1-CD2 3.42Å; L89-F115 VanDerWaalsContact CD1-CD2 3.42Å; L89-F115 HydrophobicContact CD1-CE2 3.77Å; L89-F115 HydrophobicContact CD2-CD2 3.78Å; L89-F115 HydrophobicContact CD2-CE2 3.61Å; L89-F115 HydrophobicContact CG-CD2 4.21Å; L89-F115 HydrophobicContact CG-CE2 4.25Å
90M58.7Low51.6Low23 Ų2385.8 Ų85.811%0.11346%0.458CS..Hα-helixtrans-63.1-36.4176.2-69.5-63.1-43.800112L86 D87 M93 N94L86-M90 VanDerWaalsContact O-CG 3.32Å; L86-M90 WeakPolarHBondContact O-CG 3.43Å; L86-M90 PolarHBondContact O-N 2.76Å; D87-M90 WeakPolarHBondContact O-CB 3.24Å; D87-M90 PolarHBondContact O-N 3.21Å; M90-M93 HydrophobicContact CE-CE 3.98Å; M90-M93 HydrophobicContact CG-CE 4.16Å; M90-M93 PolarHBondContact O-N 3.46Å; M90-M93 HydrophobicContact SD-CE 3.18Å; M90-M93 WeakPolarHBondContact SD-CE 3.34Å; M90-N94 VanDerWaalsContact O-CB 3.23Å; M90-N94 WeakPolarHBondContact O-CB 3.28Å; M90-N94 VanDerWaalsContact O-CG 3.24Å; M90-N94 PolarHBondContact O-N 3.22Å; M90-N94 PolarHBondContact O-ND2 2.82Å; M90-N94 VanDerWaalsContact O-ND2 3.13Å
91E60.6Low51Low138 Ų13879.5 Ų79.565%0.64544%0.436SS*.Hα-helixtrans-61.7-46174.3-169.9178.4-169.800111D87 K88 L89 N94 S95D87-E91 PolarHBondContact O-N 2.8Å; K88-E91 WeakPolarHBondContact O-CB 3.3Å; K88-E91 PolarHBondContact O-N 3.27Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 PolarHBondContact O-N 2.84Å; E91-N94 PolarHBondContact O-N 2.78Å; E91-S95 WeakPolarHBondContact O-CB 3.17Å; E91-S95 PolarHBondContact O-N 2.99Å
92V53.8Low50.3Low49 Ų4988.3 Ų88.330%0.29746%0.46SS..Hα-helixtrans-65.6-38.8175.7174.10000112.1V40 K88 L89 N94 S95 I111V40-V92 HydrophobicContact CG2-CG1 4.06Å; K88-V92 WeakPolarHBondContact O-CG2 3.37Å; K88-V92 PolarHBondContact O-N 3.31Å; K88-V92 VanDerWaalsContact O-N 3.1Å; L89-V92 PolarHBondContact O-N 2.92Å; V92-N94 VanDerWaalsContact C-N 3.34Å; V92-S95 PolarHBondContact O-OG 3.1Å; V92-I111 HydrophobicContact CG1-CD1 4.25Å; V92-I111 HydrophobicContact CG1-CG2 4.41Å
93M53.3Low49.9Very low11 Ų1191.6 Ų91.65%0.05450%0.495CS..Hα-helixtrans-71-28.9177.3-70.7-173.8-53.900112.9I37 V40 L89 M90I37-M93 HydrophobicContact CB-SD 3.95Å; I37-M93 HydrophobicContact CG2-CB 4.44Å; I37-M93 HydrophobicContact CG2-CE 4.46Å; I37-M93 HydrophobicContact CG2-CG 4.39Å; I37-M93 HydrophobicContact CG2-SD 3.61Å; V40-M93 HydrophobicContact CB-CG 4.36Å; V40-M93 HydrophobicContact CG2-CG 4.05Å; L89-M93 HydrophobicContact CD1-CG 4.46Å; L89-M93 HydrophobicContact CD1-SD 4.49Å; L89-M93 HydrophobicContact CD2-CE 4.27Å; L89-M93 HydrophobicContact CG-CE 3.96Å; L89-M93 HydrophobicContact CG-SD 4.25Å; L89-M93 WeakPolarHBondContact O-CG 3.41Å; L89-M93 PolarHBondContact O-N 2.87Å; M90-M93 HydrophobicContact CE-CE 3.98Å; M90-M93 HydrophobicContact CG-CE 4.16Å; M90-M93 PolarHBondContact O-N 3.46Å; M90-M93 HydrophobicContact SD-CE 3.18Å; M90-M93 WeakPolarHBondContact SD-CE 3.34Å
94N53.6Low49.2Very low109 Ų10991 Ų9158%0.58350%0.497SS*.Hα-helixtrans-91.8-18.6-179.9-73.6-32.6000113.5M90 E91 V92 T96M90-N94 VanDerWaalsContact O-CB 3.23Å; M90-N94 WeakPolarHBondContact O-CB 3.28Å; M90-N94 VanDerWaalsContact O-CG 3.24Å; M90-N94 PolarHBondContact O-N 3.22Å; M90-N94 PolarHBondContact O-ND2 2.82Å; M90-N94 VanDerWaalsContact O-ND2 3.13Å; E91-N94 PolarHBondContact O-N 2.78Å; V92-N94 VanDerWaalsContact C-N 3.34Å; N94-T96 PolarHBondContact O-N 3.23Å; N94-T96 PolarHBondContact O-OG1 3.48Å
95S49.7Very low48.4Very low65 Ų6595.6 Ų95.646%0.45551%0.506SS..  trans-67.898.8177.1620000109.5E91 V92 D97E91-S95 WeakPolarHBondContact O-CB 3.17Å; E91-S95 PolarHBondContact O-N 2.99Å; V92-S95 PolarHBondContact O-OG 3.1Å; S95-D97 PolarHBondContact O-N 3.02Å
96T41.9Very low47.7Very low125 Ų12598.7 Ų98.777%0.76752%0.52SS*.  trans-75.583.6-179.6-41.10000109.1N94N94-T96 PolarHBondContact O-N 3.23Å; N94-T96 PolarHBondContact O-OG1 3.48Å
97D41.5Very low46.9Very low111 Ų11198.8 Ų98.859%0.59453%0.525SS*.  trans-142.347.8175.6-103.5-23.7000112.4S95 A99 N100S95-D97 PolarHBondContact O-N 3.02Å; D97-A99 PolarHBondContact O-N 3.25Å; D97-A99 VanDerWaalsContact O-N 3.1Å; D97-N100 PolarHBondContact O-N 3.25Å
98I40.6Very low46Very low112 Ų11296.5 Ų96.557%0.57452%0.518SS*.G310 helixtrans-58.2-18.5171.1-57.8-179.7000112.8D39 N100 V101D39-I98 HydrophobicContact CB-CG1 4.24Å; D39-I98 WeakPolarHBondContact OD1-CD1 3.18Å; D39-I98 WeakPolarHBondContact OD1-CG1 3.42Å; D39-I98 WeakPolarHBondContact OD2-CG1 3.37Å; I98-N100 PolarHBondContact O-N 2.93Å; I98-V101 PolarHBondContact O-N 3.31Å
99A38.1Very low45.2Very low92 Ų9294 Ų9476%0.7651%0.508SS*.G310 helixtrans-60.5-20.9179.700000113.5D97D97-A99 PolarHBondContact O-N 3.25Å; D97-A99 VanDerWaalsContact O-N 3.1Å
100N41.8Very low44.6Very low124 Ų12499.5 Ų99.566%0.66353%0.533SS*.G310 helixtrans-111.3-3.2-176.5-81.1-28.8000115.8D97 I98 R102D97-N100 PolarHBondContact O-N 3.25Å; I98-N100 PolarHBondContact O-N 2.93Å; N100-R102 VanDerWaalsContact C-N 3.32Å; N100-R102 PolarHBondContact O-N 2.84Å
101V41Very low44Very low56 Ų56101.5 Ų101.534%0.33954%0.543SS..G310 helixtrans-81.3-5.6-170.6-1770000114I98 G103 Q104I98-V101 PolarHBondContact O-N 3.31Å; V101-G103 PolarHBondContact O-N 2.64Å; V101-Q104 HydrophobicContact CG1-CB 4.31Å; V101-Q104 PolarHBondContact O-N 2.84Å
102R38.1Very low43.3Very low261 Ų26197.9 Ų97.999%0.98552%0.524SS*.G310 helixtrans-57.8-15.3174.4-108.7-176.8179.8-171.60.1114.4N100N100-R102 VanDerWaalsContact C-N 3.32Å; N100-R102 PolarHBondContact O-N 2.84Å
103G38.1Very low42.9Very low74 Ų74101.4 Ų101.476%0.76354%0.535SS*.G310 helixtrans-107.71.2173.800000115.9V101V101-G103 PolarHBondContact O-N 2.64Å
104Q38.7Very low42.7Very low104 Ų104108 Ų10849%0.48657%0.566SS.*  trans-121.226.9-165.6-77.8-162.32100114.7V101 F106 A107 A108V101-Q104 HydrophobicContact CG1-CB 4.31Å; V101-Q104 PolarHBondContact O-N 2.84Å; Q104-F106 PolarHBondContact O-N 2.85Å; Q104-A107 HydrophobicContact CB-CB 4.02Å; Q104-A107 HydrophobicContact CG-CB 4.27Å; Q104-A107 PolarHBondContact O-N 3.3Å; Q104-A108 PolarHBondContact O-N 3.33Å
105F41.7Very low42.5Very low156 Ų156103.1 Ų103.168%0.68454%0.54SS*.Hα-helixtrans-50-37.3173.3-164.8-94.4000111.9F109F105-F109 HydrophobicContact CE1-CD2 4.02Å; F105-F109 HydrophobicContact CE1-CE2 4.44Å; F105-F109 WeakPolarHBondContact O-CB 3.31Å; F105-F109 PolarHBondContact O-N 3.16Å
106F37.1Very low42.6Very low177 Ų177101.8 Ų101.878%0.77653%0.533SS*.Hα-helixtrans-70.4-36.6174.9-87.6-81.9000114.7Q104 F109 Q110Q104-F106 PolarHBondContact O-N 2.85Å; F106-F109 PolarHBondContact O-N 2.77Å; F106-Q110 WeakPolarHBondContact O-CB 3.29Å; F106-Q110 PolarHBondContact O-N 3.37Å
107A40.3Very low43Very low32 Ų32100.5 Ų100.526%0.26452%0.521SS..Hα-helixtrans-70.5-39.6176.600000110.4Q104 F109 Q110 I111Q104-A107 HydrophobicContact CB-CB 4.02Å; Q104-A107 HydrophobicContact CG-CB 4.27Å; Q104-A107 PolarHBondContact O-N 3.3Å; A107-F109 VanDerWaalsContact C-N 3.32Å; A107-F109 PolarHBondContact O-N 3.03Å; A107-Q110 PolarHBondContact O-N 3.45Å; A107-I111 WeakPolarHBondContact O-CB 3.31Å; A107-I111 WeakPolarHBondContact O-CD1 3.38Å; A107-I111 WeakPolarHBondContact O-CG1 3.38Å; A107-I111 PolarHBondContact O-N 3.24Å
108A41.6Very low43.4Very low40 Ų4096 Ų9633%0.33150%0.496SS..Hα-helixtrans-62-38.9171.100000111.8Q104 Y112Q104-A108 PolarHBondContact O-N 3.33Å; A108-Y112 VanDerWaalsContact O-CB 3.3Å; A108-Y112 WeakPolarHBondContact O-CB 3.42Å; A108-Y112 PolarHBondContact O-N 3.41Å
109F40.5Very low44Very low92 Ų9291.9 Ų91.940%0.40448%0.475SS..Hα-helixtrans-69.2-34.8176-143.2-88.9000113.1F105 F106 A107 Y112 F113F105-F109 HydrophobicContact CE1-CD2 4.02Å; F105-F109 HydrophobicContact CE1-CE2 4.44Å; F105-F109 WeakPolarHBondContact O-CB 3.31Å; F105-F109 PolarHBondContact O-N 3.16Å; F106-F109 PolarHBondContact O-N 2.77Å; A107-F109 VanDerWaalsContact C-N 3.32Å; A107-F109 PolarHBondContact O-N 3.03Å; F109-Y112 WeakPolarHBondContact O-CB 3.38Å; F109-Y112 PolarHBondContact O-N 3.49Å; F109-F113 HydrophobicContact CD1-CD2 4.3Å; F109-F113 HydrophobicContact CE1-CD2 4.25Å; F109-F113 HydrophobicContact CE1-CE2 4.3Å; F109-F113 PolarHBondContact O-N 3.11Å
110Q46.4Very low44.7Very low139 Ų13992.6 Ų92.665%0.6546%0.463SS*.Hα-helixtrans-74.7-38.2177.3-160167.8-3.200111.2F106 A107 Y112 F113 E114F106-Q110 WeakPolarHBondContact O-CB 3.29Å; F106-Q110 PolarHBondContact O-N 3.37Å; A107-Q110 PolarHBondContact O-N 3.45Å; Q110-Y112 VanDerWaalsContact C-N 3.33Å; Q110-F113 PolarHBondContact O-N 3.02Å; Q110-E114 PolarHBondContact O-N 2.74Å
111I45.1Very low45.1Very low65 Ų6590.2 Ų90.233%0.33345%0.447SS..Hα-helixtrans-61.4-42.3167.3-68.1164.1000109.8V40 V92 A107 F113 E114 F115V40-I111 HydrophobicContact CG1-CG2 4.49Å; V92-I111 HydrophobicContact CG1-CD1 4.25Å; V92-I111 HydrophobicContact CG1-CG2 4.41Å; A107-I111 WeakPolarHBondContact O-CB 3.31Å; A107-I111 WeakPolarHBondContact O-CD1 3.38Å; A107-I111 WeakPolarHBondContact O-CG1 3.38Å; A107-I111 PolarHBondContact O-N 3.24Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 3.44Å; I111-E114 PolarHBondContact O-N 3.41Å; I111-F115 WeakPolarHBondContact O-CB 3.39Å; I111-F115 PolarHBondContact O-N 3.36Å
112Y46.1Very low45.4Very low62 Ų6288.5 Ų88.524%0.24344%0.435CS..Hα-helixtrans-59.2-39.4173.2174.2-94000112.5M41 A108 F109 Q110 F115 A116M41-Y112 HydrophobicContact CE-CD2 3.64Å; M41-Y112 HydrophobicContact CE-CE2 3.52Å; M41-Y112 HydrophobicContact CE-CG 4.23Å; M41-Y112 WeakPolarHBondContact O-CD2 3.39Å; A108-Y112 VanDerWaalsContact O-CB 3.3Å; A108-Y112 WeakPolarHBondContact O-CB 3.42Å; A108-Y112 PolarHBondContact O-N 3.41Å; F109-Y112 WeakPolarHBondContact O-CB 3.38Å; F109-Y112 PolarHBondContact O-N 3.49Å; Q110-Y112 VanDerWaalsContact C-N 3.33Å; Y112-F115 WeakPolarHBondContact O-CB 3.31Å; Y112-F115 PolarHBondContact O-N 3.2Å; Y112-A116 VanDerWaalsContact O-CB 3.28Å; Y112-A116 WeakPolarHBondContact O-CB 3.28Å; Y112-A116 PolarHBondContact O-N 2.92Å
113F46.4Very low45.9Very low122 Ų12280.1 Ų80.154%0.53541%0.406SS..Hα-helixtrans-71.5-40.7177.4-119.5-82.4000112.6F109 Q110 I111 F115 N117F109-F113 HydrophobicContact CD1-CD2 4.3Å; F109-F113 HydrophobicContact CE1-CD2 4.25Å; F109-F113 HydrophobicContact CE1-CE2 4.3Å; F109-F113 PolarHBondContact O-N 3.11Å; Q110-F113 PolarHBondContact O-N 3.02Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 3.44Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-N117 WeakPolarHBondContact O-CB 3.44Å; F113-N117 PolarHBondContact O-N 3.1Å; F113-N117 PolarHBondContact O-ND2 2.74Å
114E49.1Very low46.3Very low149 Ų14985.6 Ų85.670%0.69640%0.404SS*.Hα-helixtrans-65.3-35.6171.4-72.4-156.5178.100111.6Q110 I111 F118Q110-E114 PolarHBondContact O-N 2.74Å; I111-E114 PolarHBondContact O-N 3.41Å; E114-F118 WeakPolarHBondContact O-CB 3.03Å; E114-F118 PolarHBondContact O-N 3.49Å
115F49.2Very low46.5Very low7 Ų786.8 Ų86.83%0.03141%0.409CS..Hα-helixtrans-67.1-47.7176179.1-105.2000112.5V42 W60 L89 I111 Y112 F113 N117 F118 L119V42-F115 VanDerWaalsContact CA-CE1 3.47Å; V42-F115 HydrophobicContact CB-CE1 3.58Å; V42-F115 HydrophobicContact CB-CZ 3.55Å; V42-F115 HydrophobicContact CG1-CE1 3.76Å; V42-F115 HydrophobicContact CG1-CE2 4.21Å; V42-F115 HydrophobicContact CG1-CZ 3.35Å; W60-F115 AromaticContact CH2-CE1 3.63Å; W60-F115 HydrophobicContact CH2-CE1 3.63Å; W60-F115 HydrophobicContact CH2-CE2 4.35Å; W60-F115 AromaticContact CH2-CZ 3.29Å; W60-F115 HydrophobicContact CH2-CZ 3.29Å; W60-F115 HydrophobicContact CZ2-CE1 4.23Å; W60-F115 HydrophobicContact CZ2-CZ 4.25Å; W60-F115 HydrophobicContact CZ3-CE1 4.39Å; W60-F115 HydrophobicContact CZ3-CE2 4.44Å; W60-F115 AromaticContact CZ3-CZ 3.61Å; W60-F115 HydrophobicContact CZ3-CZ 3.61Å; L89-F115 HydrophobicContact CD1-CD2 3.42Å; L89-F115 VanDerWaalsContact CD1-CD2 3.42Å; L89-F115 HydrophobicContact CD1-CE2 3.77Å; L89-F115 HydrophobicContact CD2-CD2 3.78Å; L89-F115 HydrophobicContact CD2-CE2 3.61Å; L89-F115 HydrophobicContact CG-CD2 4.21Å; L89-F115 HydrophobicContact CG-CE2 4.25Å; I111-F115 WeakPolarHBondContact O-CB 3.39Å; I111-F115 PolarHBondContact O-N 3.36Å; Y112-F115 WeakPolarHBondContact O-CB 3.31Å; Y112-F115 PolarHBondContact O-N 3.2Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F115-N117 VanDerWaalsContact C-N 3.32Å; F115-N117 PolarHBondContact O-N 3.46Å; F115-F118 PolarHBondContact O-N 2.88Å; F115-L119 HydrophobicContact CD1-CD1 3.48Å; F115-L119 VanDerWaalsContact CD1-CD1 3.48Å; F115-L119 HydrophobicContact CD2-CD1 4.2Å; F115-L119 HydrophobicContact CE1-CD1 3.24Å; F115-L119 HydrophobicContact CE1-CG 4.45Å; F115-L119 HydrophobicContact CE2-CD1 4.03Å; F115-L119 HydrophobicContact CG-CD1 3.98Å; F115-L119 HydrophobicContact CZ-CD1 3.58Å; F115-L119 HydrophobicContact CZ-CG 4.46Å; F115-L119 WeakPolarHBondContact O-CB 3.47Å; F115-L119 WeakPolarHBondContact O-CD1 3.05Å; F115-L119 VanDerWaalsContact O-CG 3.3Å; F115-L119 WeakPolarHBondContact O-CG 3.37Å; F115-L119 PolarHBondContact O-N 2.75Å
116A50.5Low46.4Very low37 Ų3780.6 Ų80.631%0.30639%0.385SS..Hα-helixtrans-62.8-40.2175.700000111.1Y112 H120Y112-A116 VanDerWaalsContact O-CB 3.28Å; Y112-A116 WeakPolarHBondContact O-CB 3.28Å; Y112-A116 PolarHBondContact O-N 2.92Å; A116-H120 WeakPolarHBondContact O-CB 3.37Å; A116-H120 PolarHBondContact O-N 2.87Å
117N50.5Low46.5Very low98 Ų9877.6 Ų77.652%0.52438%0.383SS..Hα-helixtrans-68.2-37.1174.1-78-41.8000112.6F113 F115 H120 F121F113-N117 WeakPolarHBondContact O-CB 3.44Å; F113-N117 PolarHBondContact O-N 3.1Å; F113-N117 PolarHBondContact O-ND2 2.74Å; F115-N117 VanDerWaalsContact C-N 3.32Å; F115-N117 PolarHBondContact O-N 3.46Å; N117-H120 PolarHBondContact O-N 2.93Å; N117-F121 WeakPolarHBondContact O-CB 3.37Å; N117-F121 PolarHBondContact O-N 3.27Å
118F50.7Low46.5Very low17 Ų1778.6 Ų78.68%0.07538%0.383CS..Hα-helixtrans-71.8-39.9177.3-179.1-112.4000112.5A82 K85 L86 E114 F115 F121 I122A82-F118 HydrophobicContact CB-CE2 4.46Å; A82-F118 WeakPolarHBondContact O-CZ 3.03Å; K85-F118 HydrophobicContact CB-CD2 3.81Å; K85-F118 HydrophobicContact CB-CE1 4.37Å; K85-F118 HydrophobicContact CB-CE2 3.37Å; K85-F118 HydrophobicContact CB-CG 4.48Å; K85-F118 HydrophobicContact CB-CZ 3.68Å; K85-F118 HydrophobicContact CD-CD2 3.62Å; K85-F118 HydrophobicContact CD-CE2 3.74Å; K85-F118 HydrophobicContact CG-CD2 4.36Å; K85-F118 HydrophobicContact CG-CE2 4.2Å; L86-F118 HydrophobicContact CB-CE1 4.31Å; L86-F118 HydrophobicContact CB-CZ 4.22Å; L86-F118 HydrophobicContact CD1-CE1 4.44Å; E114-F118 WeakPolarHBondContact O-CB 3.03Å; E114-F118 PolarHBondContact O-N 3.49Å; F115-F118 PolarHBondContact O-N 2.88Å; F118-F121 WeakPolarHBondContact O-CB 3.45Å; F118-F121 PolarHBondContact O-N 2.81Å; F118-I122 HydrophobicContact CD1-CD1 4.2Å; F118-I122 HydrophobicContact CE1-CD1 3.49Å; F118-I122 VanDerWaalsContact CE1-CD1 3.49Å; F118-I122 HydrophobicContact CE1-CG1 4.25Å; F118-I122 HydrophobicContact CE2-CD1 4.3Å; F118-I122 HydrophobicContact CE2-CG1 4.35Å; F118-I122 HydrophobicContact CZ-CD1 3.56Å; F118-I122 HydrophobicContact CZ-CG1 4.09Å; F118-I122 PolarHBondContact O-N 3.48Å
119L52.6Low46.5Very low25 Ų2583.8 Ų83.813%0.13140%0.395CS..Hα-helixtrans-66.3-41.7170.9-71.4159.7000110.8W60 F115 F121 I122 F123W60-L119 HydrophobicContact CH2-CD1 3.56Å; W60-L119 HydrophobicContact CH2-CD2 3.89Å; W60-L119 HydrophobicContact CH2-CG 4.38Å; W60-L119 HydrophobicContact CZ2-CD1 4.23Å; W60-L119 HydrophobicContact CZ3-CD2 4.33Å; F115-L119 HydrophobicContact CD1-CD1 3.48Å; F115-L119 VanDerWaalsContact CD1-CD1 3.48Å; F115-L119 HydrophobicContact CD2-CD1 4.2Å; F115-L119 HydrophobicContact CE1-CD1 3.24Å; F115-L119 HydrophobicContact CE1-CG 4.45Å; F115-L119 HydrophobicContact CE2-CD1 4.03Å; F115-L119 HydrophobicContact CG-CD1 3.98Å; F115-L119 HydrophobicContact CZ-CD1 3.58Å; F115-L119 HydrophobicContact CZ-CG 4.46Å; F115-L119 WeakPolarHBondContact O-CB 3.47Å; F115-L119 WeakPolarHBondContact O-CD1 3.05Å; F115-L119 VanDerWaalsContact O-CG 3.3Å; F115-L119 WeakPolarHBondContact O-CG 3.37Å; F115-L119 PolarHBondContact O-N 2.75Å; L119-F121 PolarHBondContact O-N 3.45Å; L119-I122 PolarHBondContact O-N 3.17Å; L119-F123 HydrophobicContact CB-CD2 4.08Å; L119-F123 HydrophobicContact CB-CE2 4.09Å; L119-F123 HydrophobicContact CD2-CE2 3.88Å; L119-F123 WeakPolarHBondContact O-CB 3.35Å; L119-F123 WeakPolarHBondContact O-CD2 3.5Å; L119-F123 PolarHBondContact O-N 2.84Å
120H52.3Low46.5Very low107 Ų10787.6 Ų87.650%0.49541%0.411SS..Hα-helixtrans-60.6-38.1174.5-169.222.4000110.7A116 N117 R124A116-H120 WeakPolarHBondContact O-CB 3.37Å; A116-H120 PolarHBondContact O-N 2.87Å; N117-H120 PolarHBondContact O-N 2.93Å; H120-R124 WeakPolarHBondContact O-CB 3.35Å; H120-R124 PolarHBondContact O-N 2.85Å
121F50.7Low46.1Very low75 Ų7586.6 Ų86.633%0.32941%0.41SS..Hα-helixtrans-62.2-51.4171.1-179.5-93.4000111.8A82 N117 F118 L119 F123 R124 E125A82-F121 HydrophobicContact CB-CE1 4.41Å; N117-F121 WeakPolarHBondContact O-CB 3.37Å; N117-F121 PolarHBondContact O-N 3.27Å; F118-F121 WeakPolarHBondContact O-CB 3.45Å; F118-F121 PolarHBondContact O-N 2.81Å; L119-F121 PolarHBondContact O-N 3.45Å; F121-F123 PolarHBondContact O-N 3.43Å; F121-R124 PolarHBondContact O-N 3.05Å; F121-E125 HydrophobicContact CD2-CG 3.79Å; F121-E125 HydrophobicContact CE2-CB 4.46Å; F121-E125 HydrophobicContact CE2-CG 3.66Å; F121-E125 HydrophobicContact CG-CG 4.31Å; F121-E125 HydrophobicContact CZ-CB 4.42Å; F121-E125 HydrophobicContact CZ-CG 4.08Å; F121-E125 VanDerWaalsContact O-CB 3.23Å; F121-E125 WeakPolarHBondContact O-CB 3.23Å; F121-E125 PolarHBondContact O-N 3.18Å
122I48Very low45.8Very low19 Ų1988.8 Ų88.810%0.09742%0.419CS..Hα-helixtrans-59.3-44.6176.3-70.2-172.5000111.3L76 F118 L119 R124 C126L76-I122 HydrophobicContact CD1-CG2 4.44Å; L76-I122 HydrophobicContact CD2-CG1 4.29Å; F118-I122 HydrophobicContact CD1-CD1 4.2Å; F118-I122 HydrophobicContact CE1-CD1 3.49Å; F118-I122 VanDerWaalsContact CE1-CD1 3.49Å; F118-I122 HydrophobicContact CE1-CG1 4.25Å; F118-I122 HydrophobicContact CE2-CD1 4.3Å; F118-I122 HydrophobicContact CE2-CG1 4.35Å; F118-I122 HydrophobicContact CZ-CD1 3.56Å; F118-I122 HydrophobicContact CZ-CG1 4.09Å; F118-I122 PolarHBondContact O-N 3.48Å; L119-I122 PolarHBondContact O-N 3.17Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 3.03Å; I122-C126 WeakPolarHBondContact O-CA 2.97Å; I122-C126 WeakPolarHBondContact O-CB 3.26Å; I122-C126 PolarHBondContact O-N 3.05Å
123F48.2Very low45.4Very low86 Ų8689.2 Ų89.238%0.37742%0.422SS..Hα-helixtrans-75.3-20.1-178.9-73.4-62.4000114.1K59 L119 F121 I128K59-F123 HydrophobicContact CD-CZ 4.43Å; L119-F123 HydrophobicContact CB-CD2 4.08Å; L119-F123 HydrophobicContact CB-CE2 4.09Å; L119-F123 HydrophobicContact CD2-CE2 3.88Å; L119-F123 WeakPolarHBondContact O-CB 3.35Å; L119-F123 WeakPolarHBondContact O-CD2 3.5Å; L119-F123 PolarHBondContact O-N 2.84Å; F121-F123 PolarHBondContact O-N 3.43Å; F123-I128 HydrophobicContact CD1-CD1 3.92Å; F123-I128 HydrophobicContact CE1-CD1 3.82Å
124R46.4Very low44.9Very low189 Ų18989 Ų8971%0.71342%0.424SS*.Hα-helixtrans-95.7-36.1179.7-170.6-179.8175.8-178.6-2.9112.4H120 F121 I122H120-R124 WeakPolarHBondContact O-CB 3.35Å; H120-R124 PolarHBondContact O-N 2.85Å; F121-R124 PolarHBondContact O-N 3.05Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 3.03Å
125E44.1Very low44.6Very low129 Ų12984.2 Ų84.260%0.60341%0.411SS*.Hα-helixtrans-97.7-24.8-177.6-65.4-81147.300112.6F121 P127F121-E125 HydrophobicContact CD2-CG 3.79Å; F121-E125 HydrophobicContact CE2-CB 4.46Å; F121-E125 HydrophobicContact CE2-CG 3.66Å; F121-E125 HydrophobicContact CG-CG 4.31Å; F121-E125 HydrophobicContact CZ-CB 4.42Å; F121-E125 HydrophobicContact CZ-CG 4.08Å; F121-E125 VanDerWaalsContact O-CB 3.23Å; F121-E125 WeakPolarHBondContact O-CB 3.23Å; F121-E125 PolarHBondContact O-N 3.18Å; E125-P127 VanDerWaalsContact O-CD 3.26Å; E125-P127 WeakPolarHBondContact O-CD 3.42Å
126C38.9Very low44.1Very low25 Ų2587.8 Ų87.817%0.16943%0.43CS..SBendtrans-90.4111.3162.2-60.60000108.3L76 I122 I128L76-C126 WeakPolarHBondContact CD1-SG 3.24Å; L76-C126 WeakPolarHBondContact CG-SG 3.06Å; I122-C126 WeakPolarHBondContact O-CA 2.97Å; I122-C126 WeakPolarHBondContact O-CB 3.26Å; I122-C126 PolarHBondContact O-N 3.05Å; C126-I128 HydrophobicContact CB-CG1 4.12Å; C126-I128 PolarHBondContact O-N 3.4Å
127P38.4Very low43.5Very low114 Ų11489.4 Ų89.474%0.7443%0.431SS*.  trans-71.272.4160.733.5-30.1000105.9E125 R129E125-P127 VanDerWaalsContact O-CD 3.26Å; E125-P127 WeakPolarHBondContact O-CD 3.42Å; P127-R129 PolarHBondContact O-N 3.5Å
128I41.5Very low42.8Very low53 Ų5389 Ų8927%0.27243%0.433SS..  trans-55.3104.6155.7-61.3158.8000102.1Y72 F123 C126 K130Y72-I128 HydrophobicContact CD1-CD1 4.4Å; Y72-I128 HydrophobicContact CE1-CD1 3.62Å; Y72-I128 HydrophobicContact CE1-CG1 4.1Å; F123-I128 HydrophobicContact CD1-CD1 3.92Å; F123-I128 HydrophobicContact CE1-CD1 3.82Å; C126-I128 HydrophobicContact CB-CG1 4.12Å; C126-I128 PolarHBondContact O-N 3.4Å; I128-K130 PolarHBondContact O-N 3.19Å
129R41.1Very low42.3Very low149 Ų14993 Ų9356%0.56246%0.458SS*.  trans-44.2110.7180-80.1169.3167.6-172.3-3.7105.7P127 D131 E132 F133P127-R129 PolarHBondContact O-N 3.5Å; R129-D131 HydrophobicContact CB-CB 4.23Å; R129-D131 PolarHBondContact O-N 2.97Å; R129-E132 HydrophobicContact CB-CB 3.97Å; R129-E132 HydrophobicContact CB-CG 3.99Å; R129-E132 WeakPolarHBondContact CD-OE1 3.19Å; R129-E132 IonicContact CZ-OE1 2.79Å; R129-E132 IonicContact NE-OE1 2.66Å; R129-E132 IonicContact NH1-OE1 3.81Å; R129-E132 PolarHBondContact NH1-OE1 2.78Å; R129-E132 PolarHBondContact O-N 2.85Å; R129-F133 PolarHBondContact O-N 2.83Å
130K39.7Very low41.7Very low172 Ų172101.3 Ų101.375%0.74849%0.487SS*.Hα-helixtrans-45.2-32.5165.8-103.9178.1169.81780109.2I128 F133 M134I128-K130 PolarHBondContact O-N 3.19Å; K130-F133 PolarHBondContact O-N 2.79Å; K130-M134 WeakPolarHBondContact O-CB 3.07Å; K130-M134 WeakPolarHBondContact O-CG 3.48Å; K130-M134 PolarHBondContact O-N 2.66Å; K130-M134 VanDerWaalsContact O-N 3.08Å
131D38.7Very low41.1Very low118 Ų118102.9 Ų102.963%0.63150%0.5SS*.Hα-helixtrans-66.6-36.2177.9-35.9-29.9000113.7R129 A135R129-D131 HydrophobicContact CB-CB 4.23Å; R129-D131 PolarHBondContact O-N 2.97Å; D131-A135 WeakPolarHBondContact O-CB 3.1Å; D131-A135 PolarHBondContact O-N 3.23Å
132E39.8Very low40.6Very low111 Ų111106.3 Ų106.352%0.51952%0.521SS..Hα-helixtrans-82-28.1176.5-78.2176-168.400112.5R129 M134R129-E132 HydrophobicContact CB-CB 3.97Å; R129-E132 HydrophobicContact CB-CG 3.99Å; R129-E132 WeakPolarHBondContact CD-OE1 3.19Å; R129-E132 IonicContact CZ-OE1 2.79Å; R129-E132 IonicContact NE-OE1 2.66Å; R129-E132 IonicContact NH1-OE1 3.81Å; R129-E132 PolarHBondContact NH1-OE1 2.78Å; R129-E132 PolarHBondContact O-N 2.85Å; E132-M134 VanDerWaalsContact C-N 3.28Å
133F37.2Very low40.2Very low72 Ų72113.3 Ų113.332%0.31657%0.572SS.*Hα-helixtrans-68.3-32.2170.5-152.1-89.4000111.5R129 K130R129-F133 PolarHBondContact O-N 2.83Å; K130-F133 PolarHBondContact O-N 2.79Å
134M36.2Very low39.8Very low116 Ų116114.7 Ų114.757%0.57158%0.582SS**Hα-helixtrans-87.2-30.7178.3-66.5-80.8-169.300113.4K130 E132 D136 E137K130-M134 WeakPolarHBondContact O-CB 3.07Å; K130-M134 WeakPolarHBondContact O-CG 3.48Å; K130-M134 PolarHBondContact O-N 2.66Å; K130-M134 VanDerWaalsContact O-N 3.08Å; E132-M134 VanDerWaalsContact C-N 3.28Å; M134-D136 VanDerWaalsContact C-N 3.32Å; M134-D136 PolarHBondContact O-N 3.48Å; M134-E137 WeakPolarHBondContact O-CB 3.41Å; M134-E137 PolarHBondContact O-N 3.4Å; M134-E137 VanDerWaalsContact O-N 3.17Å
135A41.6Very low39.4Very low50 Ų50110.8 Ų110.841%0.41358%0.575SS.*Hα-helixtrans-67.6-30.2-177.800000113.2D131 E137 T138D131-A135 WeakPolarHBondContact O-CB 3.1Å; D131-A135 PolarHBondContact O-N 3.23Å; A135-E137 VanDerWaalsContact C-N 3.32Å; A135-T138 PolarHBondContact O-N 3.08Å; A135-T138 PolarHBondContact O-OG1 2.75Å
136D39Very low39.2Very low82 Ų82109.8 Ų109.844%0.43957%0.574SS.*Hα-helixtrans-73-24.3175.2-147.920.6000112R62 M134 T138R62-D136 IonicContact CZ-OD2 3.83Å; R62-D136 IonicContact NH2-OD2 2.74Å; R62-D136 PolarHBondContact NH2-OD2 2.92Å; M134-D136 VanDerWaalsContact C-N 3.32Å; M134-D136 PolarHBondContact O-N 3.48Å; D136-T138 VanDerWaalsContact C-N 3.35Å
137E37.2Very low39.2Very low71 Ų71114.8 Ų114.833%0.33260%0.597SS.*Hα-helixtrans-70.9-29.4173.3-77.7-169.9164.700112.4K55 M134 A135K55-E137 WeakPolarHBondContact CE-OE1 3.15Å; K55-E137 IonicContact NZ-OE1 3.23Å; K55-E137 PolarHBondContact NZ-OE1 3.17Å; K55-E137 IonicContact NZ-OE2 3.66Å; K55-E137 PolarHBondContact NZ-OE2 3.17Å; M134-E137 WeakPolarHBondContact O-CB 3.41Å; M134-E137 PolarHBondContact O-N 3.4Å; M134-E137 VanDerWaalsContact O-N 3.17Å; A135-E137 VanDerWaalsContact C-N 3.32Å
138T37Very low39.2Very low90 Ų90114.8 Ų114.855%0.55259%0.588SS**Hα-helixtrans-74.2-30.1176.525.90000113.7A135 D136 R140A135-T138 PolarHBondContact O-N 3.08Å; A135-T138 PolarHBondContact O-OG1 2.75Å; D136-T138 VanDerWaalsContact C-N 3.35Å; T138-R140 VanDerWaalsContact C-N 3.34Å; T138-R140 PolarHBondContact O-N 2.85Å
139V40.1Very low39.1Very low100 Ų100118.9 Ų118.961%0.60661%0.609SS**Hα-helixtrans-76-24.2-178.4-178.80000112.1
140R40Very low38.9Very low199 Ų199116.8 Ų116.875%0.75161%0.613SS**Hα-helixtrans-89.7-15.4-178.8-119.8179.2178.7-172.8-0.7115.3T138T138-R140 VanDerWaalsContact C-N 3.34Å; T138-R140 PolarHBondContact O-N 2.85Å
141N39.6Very low38.9Very low141 Ų141112.5 Ų112.575%0.75460%0.602SS**SBendtrans-93.9-5.3176.7-79.6-28.1000113.8
142D40.6Very low38.9Very low146 Ų146112.1 Ų112.178%0.78160%0.6SS**  trans-109.117.7178.2-76.2-15.1000113.4
143S38.6Very low38.8Very low167 Ų167112.2 Ų112.2100%1.16861%0.607SS**  trans-120.60177.7-60.90000113.5

Retrieved 143 of 143 residues in 190.5 ms (Link to these results)