A0A077ZEL7_TRITR Loading...

40S ribosomal protein S25

AlphaFold DB , UniProt , Accession A0A077ZEL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 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
1M48.3Very low48.3Very low240 Ų240147.5 Ų147.5100%1.18287%0.867SS**  0112.50-65.3179.2169.100106.8
2P57.2Low47.3Very low129 Ų129151.9 Ų151.984%0.83887%0.868SS**  -153.6170.299.933-10.8000115.5
3P67.5Low46.7Very low120 Ų120147.9 Ų147.978%0.77986%0.864SS**  trans-104.7154.7-168.438-29.6000114.4
4K52.2Low45.8Very low207 Ų207146.7 Ų146.790%0.986%0.86SS**  trans179.4140.3142.8-122.5166.7175.1159.90114.6
5A52.5Low45.5Very low103 Ų103149.1 Ų149.185%0.85186%0.856SS**  trans67.7139.1152.900000118.8
6G50.2Low44.9Very low72 Ų72148.2 Ų148.274%0.74285%0.854SS**  cis175.8135.31.100000111.7
7K42.2Very low44.9Very low219 Ų219145.4 Ų145.495%0.95285%0.852SS**  53.7111.4130-132.7173.8-170.3179.90121
8G41Very low44.7Very low75 Ų75142.6 Ų142.677%0.77385%0.849SS**  124.1130.2126.400000120.2
9K40.5Very low44.5Very low204 Ų204145.9 Ų145.989%0.88785%0.851SS**  trans91.594.9148.8-72.1178.4172.8177.20120.3
10D39.3Very low44.2Very low157 Ų157144.5 Ų144.584%0.8485%0.847SS**  trans5.4148.1130.9-56.5-87.3000121.4
11A40.4Very low43.9Very low96 Ų96149.7 Ų149.779%0.79385%0.852SS**  trans91.878.7151.200000119.5
12K35.7Very low43.3Very low201 Ų201147.8 Ų147.887%0.87484%0.837SS**  57.381.7123.2-154.1172.6-174.8176.60118.6
13A39.5Very low42.4Very low100 Ų100150.5 Ų150.583%0.82684%0.838SS**  37.996.2124.600000118.8
14T34.8Very low40.9Very low131 Ų131148.7 Ų148.780%0.80484%0.842SS**  trans-80.6159.8149.9-11.80000110
15K41.3Very low40.2Very low183 Ų183142.8 Ų142.880%0.79684%0.84SS**  trans97.799.6162.2-58.6-174.8-178-176.40116.3
16T36.5Very low39.7Very low134 Ų134141.8 Ų141.882%0.82284%0.84SS**  101.4111.181.845.70000111.8
17A43.9Very low39.4Very low100 Ų100142.5 Ų142.583%0.82685%0.847SS**  trans173.8101.4148.400000108.3
18A41.6Very low39.7Very low96 Ų96135.7 Ų135.779%0.79384%0.839SS**  82.19999.800000115.1
19K40Very low40.2Very low206 Ų206142.4 Ų142.490%0.89685%0.846SS**  trans33.4158.5142.5-63.8-178.9179.7179.90121.3
20P40.3Very low41Very low117 Ų117137.5 Ų137.576%0.7684%0.844SS**  cis-129.9166.9-4.532.7-12000114.6K22P20-K22 PolarHBondContact O-N 3.18Å
21R36Very low41.8Very low254 Ų254140.3 Ų140.396%0.95885%0.849SS**  trans-57.1129.6164.5-66.4175.3169.6-170.6-4.3109.8
22K37.4Very low42.9Very low200 Ų200145.1 Ų145.187%0.8785%0.852SS**  trans-135.2121.4165.7-157.9171.5-174.9174.10108.8P20P20-K22 PolarHBondContact O-N 3.18Å
23E37.6Very low44.3Very low185 Ų185145 Ų14586%0.86485%0.851SS**  trans-49.7151.1168.1-72.4158109.100112
24G36.5Very low45.6Very low83 Ų83147.7 Ų147.786%0.85684%0.844SS**  trans6999146.700000116.8
25G37.3Very low46.6Very low83 Ų83153.2 Ų153.286%0.85685%0.851SS**  trans164.7126.1160.300000114.3
26G41.1Very low48Very low82 Ų82147.8 Ų147.885%0.84584%0.836SS**  trans105.598.9171.400000111.5
27G44Very low49.2Very low87 Ų87151.1 Ų151.190%0.89784%0.839SS**  cis89.198.946.100000108.8
28G49.7Very low50.3Low75 Ų75149.8 Ų149.877%0.77384%0.835SS**  trans149.9129.916400000116.6
29K50.1Low51.5Low216 Ų216154.4 Ų154.494%0.93984%0.837SS**  trans8947.3157.8-55.2-175.8177.5179.50119.1
30A57.6Low53Low101 Ų101151 Ų15184%0.83583%0.834SS**  trans-102.965.5160.400000112.1K32A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 3.47Å; A30-K32 VanDerWaalsContact O-N 3.11Å
31K55.4Low54.5Low217 Ų217155.8 Ų155.894%0.94384%0.836SS**  trans-7776.3161.9-97.8-176175.4177.70108.8
32K65Low56.5Low196 Ų196150.5 Ų150.585%0.85283%0.827SS**  trans-108.4108.3161.2-84.3-171.3175.6-1790108.1A30 K34A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 3.47Å; A30-K32 VanDerWaalsContact O-N 3.11Å; K32-K34 VanDerWaalsContact C-N 3.28Å; K32-K34 PolarHBondContact O-N 3.35Å
33K64.9Low58.3Low198 Ų198150 Ų15086%0.86183%0.825SS**  trans-6390168.5-78.5-168.8174.9-175.70108.3
34K65.9Low60.2Low157 Ų157147.4 Ų147.468%0.68382%0.816SS**  trans-98.285.6176.4-166.6171.4-178.5177.70108.9K32 S36K32-K34 VanDerWaalsContact C-N 3.28Å; K32-K34 PolarHBondContact O-N 3.35Å; K34-S36 PolarHBondContact O-N 3.25Å
35W56.1Low62.5Low247 Ų247150.6 Ų150.694%0.93681%0.814SS**SBendtrans-70.775.1162.6-86.4-44.3000109.2
36S70.7Confident65Low70 Ų70148.9 Ų148.949%0.4979%0.785SS.*  trans168.386.6155.3-164.10000106.9K34K34-S36 PolarHBondContact O-N 3.25Å
37K62.4Low67.3Low204 Ų204147.6 Ų147.689%0.88776%0.757SS**  trans-116.834-177.2-146.4-176.4-175.5-173.70112.7
38G66.8Low69.5Low72 Ų72147.5 Ų147.574%0.74274%0.739SS**  trans-145.923.1-173.500000116.8
39K67.4Low71.4Confident193 Ų193150.2 Ų150.284%0.83974%0.736SS**  trans-93.912-174.4-102.9-171.7-177.8-175.20116.1
40V70.1Confident73.3Confident135 Ų135142 Ų14282%0.81870%0.7SS**  trans-104.798.8173-174.90000107
41R71.9Confident74.9Confident216 Ų216141.1 Ų141.182%0.81568%0.681SS**  trans-57.4137.6164.7176.9165.2-84.9174.2-6.6107.4
42D77.8Confident76.5Confident143 Ų143135.9 Ų135.977%0.76567%0.669SS**  trans-49.9148.7179.9-67.1-62.8000111.7L44D42-L44 PolarHBondContact O-N 2.81Å
43K74.9Confident77.8Confident191 Ų191129.5 Ų129.583%0.8365%0.653SS**  trans-57.3110.4-179.6-72.5-177.3-177.6178.70109.2N45K43-N45 PolarHBondContact O-N 2.91Å; K43-N45 VanDerWaalsContact O-N 3.13Å
44L77.7Confident79Confident130 Ų130120.8 Ų120.868%0.68162%0.617SS**  trans-68.7108.7171.3-67.4174.5000108.4D42 N46D42-L44 PolarHBondContact O-N 2.81Å; L44-N46 PolarHBondContact O-N 2.76Å
45N86Confident80.3Confident150 Ų150116.8 Ų116.880%0.80260%0.598SS**  trans-79.869.6178.5-70.1-22.8000110.2K43K43-N45 PolarHBondContact O-N 2.91Å; K43-N45 VanDerWaalsContact O-N 3.13Å
46N89.1Confident82Confident46 Ų46109.4 Ų109.425%0.24658%0.576CS.*  trans-69.8136.8176.4-65.91.1000110.5L44 K78 R80L44-N46 PolarHBondContact O-N 2.76Å; N46-K78 CarbonylContact C-O 3.57Å; N46-K78 VanDerWaalsContact CA-O 3.29Å; N46-K78 WeakPolarHBondContact CA-O 3.27Å; N46-R80 HydrophobicContact CB-CG 4.03Å
47M89.3Confident83Confident55 Ų55110.8 Ų110.827%0.27157%0.574SS.*BIsolated β-bridgetrans-64.3142.5178.4-66.7172.1-64.700111.2T54 L77 K78 V79 R80M47-T54 HydrophobicContact CE-CG2 3.6Å; M47-T54 HydrophobicContact SD-CG2 4.15Å; M47-L77 VanDerWaalsContact CE-O 3.24Å; M47-L77 WeakPolarHBondContact CE-O 3.46Å; M47-K78 HydrophobicContact CE-CB 4.48Å; M47-K78 PolarHBondContact N-O 2.74Å; M47-V79 HydrophobicContact CB-CG1 4.36Å; M47-V79 HydrophobicContact CE-CG1 3.96Å; M47-R80 PolarHBondContact O-N 2.8Å
48V89.9Confident84.3Confident85 Ų85101.1 Ų101.152%0.51553%0.532SS..SBendtrans-104.4-15.8-177.5-165.70000111.9L83V48-L83 WeakPolarHBondContact O-CD1 3.36Å
49L90.7Very high85.4Confident133 Ų133100.3 Ų100.370%0.69651%0.506SS*.SBendtrans-127.2152.6175.9-17162.8000108.6L83L49-L83 VanDerWaalsContact C-CD1 3.49Å
50F89.1Confident86.5Confident44 Ų4498.7 Ų98.719%0.19350%0.5CS..  trans-78.2125.9169.7-74.7-70.2000109.2Y55 L58 L83F50-Y55 HydrophobicContact CB-CD2 4.22Å; F50-Y55 HydrophobicContact CD1-CD2 4.43Å; F50-Y55 HydrophobicContact CD2-CD2 4.14Å; F50-Y55 HydrophobicContact CG-CD2 4.05Å; F50-L58 HydrophobicContact CE1-CB 4.46Å; F50-L58 HydrophobicContact CE1-CD1 3.51Å; F50-L58 HydrophobicContact CE2-CD1 4.37Å; F50-L58 HydrophobicContact CZ-CD1 3.27Å; F50-L83 HydrophobicContact CD1-CD2 3.8Å; F50-L83 HydrophobicContact CD2-CD1 3.87Å; F50-L83 HydrophobicContact CD2-CD2 3.81Å; F50-L83 HydrophobicContact CD2-CG 3.83Å; F50-L83 HydrophobicContact CE1-CD2 3.3Å; F50-L83 HydrophobicContact CE1-CG 4.36Å; F50-L83 HydrophobicContact CE2-CD1 4.1Å; F50-L83 HydrophobicContact CE2-CD2 3.31Å; F50-L83 HydrophobicContact CE2-CG 3.52Å; F50-L83 HydrophobicContact CG-CD1 4.14Å; F50-L83 HydrophobicContact CG-CD2 4.05Å; F50-L83 HydrophobicContact CG-CG 4.38Å; F50-L83 HydrophobicContact CZ-CD2 3.03Å; F50-L83 HydrophobicContact CZ-CG 3.83Å
51D90.8Very high87.4Confident81 Ų8196 Ų9643%0.43348%0.478SS..  trans-80.1155.5161.4-60.2-36.5000109A53 T54 Y55D51-A53 PolarHBondContact O-N 3.33Å; D51-A53 VanDerWaalsContact O-N 3.15Å; D51-T54 PolarHBondContact N-OG1 3.06Å; D51-T54 PolarHBondContact O-N 3.29Å; D51-T54 PolarHBondContact O-OG1 2.86Å; D51-Y55 PolarHBondContact O-N 3.38Å
52P90.7Very high88.2Confident108 Ų10885.7 Ų85.770%0.70144%0.439SS*.Hα-helixtrans-50.8-44.4178.7-28.135000113T54 Y55 D56P52-T54 VanDerWaalsContact C-N 3.33Å; P52-T54 PolarHBondContact O-N 3.21Å; P52-Y55 PolarHBondContact O-N 2.98Å; P52-D56 PolarHBondContact O-N 3.28Å
53A92.5Very high88.7Confident62 Ų6280.6 Ų80.651%0.51241%0.413SS..Hα-helixtrans-66.6-29.5179.100000114.1D51 K57D51-A53 PolarHBondContact O-N 3.33Å; D51-A53 VanDerWaalsContact O-N 3.15Å; A53-K57 VanDerWaalsContact O-CG 3.3Å; A53-K57 WeakPolarHBondContact O-CG 3.45Å; A53-K57 PolarHBondContact O-N 2.96Å
54T90.2Very high89.4Confident15 Ų1574.4 Ų74.49%0.09240%0.398CS..Hα-helixtrans-85.6-29.8178.954.80000111.5M47 D51 P52 K57 L58M47-T54 HydrophobicContact CE-CG2 3.6Å; M47-T54 HydrophobicContact SD-CG2 4.15Å; D51-T54 PolarHBondContact N-OG1 3.06Å; D51-T54 PolarHBondContact O-N 3.29Å; D51-T54 PolarHBondContact O-OG1 2.86Å; P52-T54 VanDerWaalsContact C-N 3.33Å; P52-T54 PolarHBondContact O-N 3.21Å; T54-K57 PolarHBondContact O-N 3.33Å; T54-L58 PolarHBondContact O-N 3.45Å; T54-L58 VanDerWaalsContact O-N 3.09Å
55Y92Very high90Very high73 Ų7369.9 Ų69.929%0.28637%0.372SS..Hα-helixtrans-62.5-47.9170.3-165.6-107.8000111F50 D51 P52 K57 L58 Y59 E90F50-Y55 HydrophobicContact CB-CD2 4.22Å; F50-Y55 HydrophobicContact CD1-CD2 4.43Å; F50-Y55 HydrophobicContact CD2-CD2 4.14Å; F50-Y55 HydrophobicContact CG-CD2 4.05Å; D51-Y55 PolarHBondContact O-N 3.38Å; P52-Y55 PolarHBondContact O-N 2.98Å; Y55-K57 VanDerWaalsContact C-N 3.28Å; Y55-K57 PolarHBondContact O-N 3.31Å; Y55-L58 VanDerWaalsContact O-CB 3.3Å; Y55-L58 WeakPolarHBondContact O-CB 3.41Å; Y55-L58 PolarHBondContact O-N 3.12Å; Y55-Y59 HydrophobicContact CD1-CD2 4.23Å; Y55-Y59 AromaticContact CD1-CE2 3.94Å; Y55-Y59 HydrophobicContact CD1-CE2 3.94Å; Y55-Y59 HydrophobicContact CD2-CE2 4.28Å; Y55-Y59 HydrophobicContact CE1-CD2 4.07Å; Y55-Y59 AromaticContact CE1-CE2 3.39Å; Y55-Y59 HydrophobicContact CE1-CE2 3.39Å; Y55-Y59 AromaticContact CE2-CE2 3.78Å; Y55-Y59 HydrophobicContact CE2-CE2 3.78Å; Y55-Y59 HydrophobicContact CG-CE2 4.36Å; Y55-Y59 AromaticContact CZ-CE2 3.31Å; Y55-Y59 AromaticContact CZ-CZ 3.9Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.38Å; Y55-Y59 PolarHBondContact O-N 3.28Å; Y55-Y59 PolarHBondContact OH-OH 3.34Å; Y55-E90 PolarHBondContact OH-OE1 3.35Å; Y55-E90 PolarHBondContact OH-OE2 3.05Å
56D91.7Very high90.3Very high91 Ų9172.9 Ų72.949%0.48737%0.372SS..Hα-helixtrans-60.1-38176.9-69.8-24.3000112.9P52 L58 Y59 K60P52-D56 PolarHBondContact O-N 3.28Å; D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 3.47Å; D56-Y59 PolarHBondContact O-N 3.32Å; D56-K60 PolarHBondContact O-N 3.18Å
57K91.1Very high90.4Very high100 Ų10075.3 Ų75.344%0.43538%0.384SS..Hα-helixtrans-63.9-36174.7-73.5175-174.4-177.20112.2A53 T54 Y55 Y59 K60 E61 L77A53-K57 VanDerWaalsContact O-CG 3.3Å; A53-K57 WeakPolarHBondContact O-CG 3.45Å; A53-K57 PolarHBondContact O-N 2.96Å; T54-K57 PolarHBondContact O-N 3.33Å; Y55-K57 VanDerWaalsContact C-N 3.28Å; Y55-K57 PolarHBondContact O-N 3.31Å; K57-Y59 VanDerWaalsContact C-N 3.32Å; K57-Y59 PolarHBondContact O-N 3.41Å; K57-K60 PolarHBondContact O-N 3.31Å; K57-E61 VanDerWaalsContact O-CB 3.28Å; K57-E61 WeakPolarHBondContact O-CB 3.3Å; K57-E61 PolarHBondContact O-N 3.29Å; K57-L77 HydrophobicContact CB-CD2 3.79Å
58L90.9Very high90.6Very high1 Ų172.7 Ų72.71%0.00537%0.371CS..Iπ-helixtrans-60.3-43.6176.5-177.5151.7000110.9F50 T54 Y55 D56 V62 L77 L91F50-L58 HydrophobicContact CE1-CB 4.46Å; F50-L58 HydrophobicContact CE1-CD1 3.51Å; F50-L58 HydrophobicContact CE2-CD1 4.37Å; F50-L58 HydrophobicContact CZ-CD1 3.27Å; T54-L58 PolarHBondContact O-N 3.45Å; T54-L58 VanDerWaalsContact O-N 3.09Å; Y55-L58 VanDerWaalsContact O-CB 3.3Å; Y55-L58 WeakPolarHBondContact O-CB 3.41Å; Y55-L58 PolarHBondContact O-N 3.12Å; D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 3.47Å; L58-V62 HydrophobicContact CB-CG2 4.49Å; L58-V62 HydrophobicContact CG-CG2 4.14Å; L58-V62 WeakPolarHBondContact O-CB 3.46Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 3Å; L58-L77 HydrophobicContact CB-CD1 3.98Å; L58-L77 HydrophobicContact CD1-CD1 4.37Å; L58-L77 HydrophobicContact CG-CD1 4.4Å; L58-L91 HydrophobicContact CD2-CD1 3.47Å; L58-L91 VanDerWaalsContact CD2-CD1 3.47Å; L58-L91 HydrophobicContact CD2-CD2 3.77Å; L58-L91 HydrophobicContact CD2-CG 3.58Å; L58-L91 HydrophobicContact CG-CD1 4.16Å
59Y90.3Very high90.8Very high54 Ų5469.3 Ų69.321%0.21235%0.351CS..Iπ-helixtrans-70.3-35179.7-79-89.8000113.9Y55 D56 K57 V63 E90 L91 K94 L96Y55-Y59 HydrophobicContact CD1-CD2 4.23Å; Y55-Y59 AromaticContact CD1-CE2 3.94Å; Y55-Y59 HydrophobicContact CD1-CE2 3.94Å; Y55-Y59 HydrophobicContact CD2-CE2 4.28Å; Y55-Y59 HydrophobicContact CE1-CD2 4.07Å; Y55-Y59 AromaticContact CE1-CE2 3.39Å; Y55-Y59 HydrophobicContact CE1-CE2 3.39Å; Y55-Y59 AromaticContact CE2-CE2 3.78Å; Y55-Y59 HydrophobicContact CE2-CE2 3.78Å; Y55-Y59 HydrophobicContact CG-CE2 4.36Å; Y55-Y59 AromaticContact CZ-CE2 3.31Å; Y55-Y59 AromaticContact CZ-CZ 3.9Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.38Å; Y55-Y59 PolarHBondContact O-N 3.28Å; Y55-Y59 PolarHBondContact OH-OH 3.34Å; D56-Y59 PolarHBondContact O-N 3.32Å; K57-Y59 VanDerWaalsContact C-N 3.32Å; K57-Y59 PolarHBondContact O-N 3.41Å; Y59-V63 WeakPolarHBondContact O-CG2 3.45Å; Y59-E90 PolarHBondContact OH-OE1 2.96Å; Y59-L91 HydrophobicContact CD1-CD2 3.95Å; Y59-L91 HydrophobicContact CE1-CD2 3.86Å; Y59-K94 HydrophobicContact CE1-CD 3.98Å; Y59-K94 PolarHBondContact OH-NZ 3.49Å; Y59-L96 HydrophobicContact CD1-CD1 3.87Å; Y59-L96 HydrophobicContact CE1-CD1 3.99Å
60K88.8Confident91Very high160 Ų16063.6 Ų63.670%0.69632%0.322SS*.Iπ-helixtrans-86.6-49.4-176.9-65.9176.5-176.1173.40112.5D56 K57D56-K60 PolarHBondContact O-N 3.18Å; K57-K60 PolarHBondContact O-N 3.31Å
61E89.3Confident91.1Very high77 Ų7764.5 Ų64.536%0.3633%0.333SS..Iπ-helixtrans-84.5-42.3-170.7-59-173.1-162.300112.6K57 V63 A64 Y65K57-E61 VanDerWaalsContact O-CB 3.28Å; K57-E61 WeakPolarHBondContact O-CB 3.3Å; K57-E61 PolarHBondContact O-N 3.29Å; E61-V63 VanDerWaalsContact C-N 3.3Å; E61-V63 PolarHBondContact O-N 3.13Å; E61-A64 WeakPolarHBondContact O-CB 3.43Å; E61-A64 PolarHBondContact O-N 3.18Å; E61-A64 VanDerWaalsContact O-N 3.14Å; E61-Y65 HydrophobicContact CB-CE1 4.31Å; E61-Y65 HydrophobicContact CB-CE2 4.5Å; E61-Y65 WeakPolarHBondContact CB-OH 3.19Å; E61-Y65 WeakPolarHBondContact O-CD1 3.47Å; E61-Y65 WeakPolarHBondContact O-CE1 3.19Å; E61-Y65 PolarHBondContact O-N 2.94Å; E61-Y65 PolarHBondContact OE2-OH 2.9Å
62V89.2Confident91.2Very high0 Ų061.9 Ų61.90%032%0.321CS..Iπ-helixtrans-66.7-37.3-174.4-179.10000110.9L58 A64 Y65 I68 V73 L77 L88 L91L58-V62 HydrophobicContact CB-CG2 4.49Å; L58-V62 HydrophobicContact CG-CG2 4.14Å; L58-V62 WeakPolarHBondContact O-CB 3.46Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 3Å; V62-A64 PolarHBondContact O-N 3.15Å; V62-Y65 HydrophobicContact CB-CD2 4.46Å; V62-Y65 HydrophobicContact CG2-CE2 4.21Å; V62-Y65 PolarHBondContact O-N 3.4Å; V62-I68 HydrophobicContact CG1-CD1 4.34Å; V62-I68 HydrophobicContact CG1-CG1 4.31Å; V62-I68 HydrophobicContact CG1-CG2 3.73Å; V62-I68 WeakPolarHBondContact O-CD1 3.26Å; V62-I68 WeakPolarHBondContact O-CG1 3.48Å; V62-V73 HydrophobicContact CG1-CG2 4.06Å; V62-V73 HydrophobicContact CG2-CG1 4.5Å; V62-V73 HydrophobicContact CG2-CG2 4.31Å; V62-L77 HydrophobicContact CG2-CD1 4.12Å; V62-L88 HydrophobicContact CG1-CD2 3.99Å; V62-L91 HydrophobicContact CB-CD1 4.06Å; V62-L91 HydrophobicContact CG1-CD1 3.81Å
63V89.3Confident91.3Very high37 Ų3756.8 Ų56.822%0.22429%0.287CS..Hα-helixtrans-65.6-28.8177.5-177.60000111.8Y59 E61 L91 L96 I97 R111Y59-V63 WeakPolarHBondContact O-CG2 3.45Å; E61-V63 VanDerWaalsContact C-N 3.3Å; E61-V63 PolarHBondContact O-N 3.13Å; V63-L91 HydrophobicContact CG2-CD2 4.18Å; V63-L96 HydrophobicContact CG1-CB 4.46Å; V63-L96 HydrophobicContact CG2-CB 3.94Å; V63-L96 HydrophobicContact CG2-CD1 4.37Å; V63-I97 HydrophobicContact CG2-CG2 4.48Å; V63-R111 WeakPolarHBondContact O-CB 3.05Å
64A89.7Confident91.3Very high61 Ų6154.5 Ų54.550%0.50427%0.267SS..Hα-helixtrans-76.6-21.1178.700000113.5E61 V62E61-A64 WeakPolarHBondContact O-CB 3.43Å; E61-A64 PolarHBondContact O-N 3.18Å; E61-A64 VanDerWaalsContact O-N 3.14Å; V62-A64 PolarHBondContact O-N 3.15Å
65Y90.2Very high91.3Very high35 Ų3560.9 Ų60.914%0.13730%0.296CS..  trans-71.5135.4-174.6-59.5-29.9000112.7E61 V62 R76 R111E61-Y65 HydrophobicContact CB-CE1 4.31Å; E61-Y65 HydrophobicContact CB-CE2 4.5Å; E61-Y65 WeakPolarHBondContact CB-OH 3.19Å; E61-Y65 WeakPolarHBondContact O-CD1 3.47Å; E61-Y65 WeakPolarHBondContact O-CE1 3.19Å; E61-Y65 PolarHBondContact O-N 2.94Å; E61-Y65 PolarHBondContact OE2-OH 2.9Å; V62-Y65 HydrophobicContact CB-CD2 4.46Å; V62-Y65 HydrophobicContact CG2-CE2 4.21Å; V62-Y65 PolarHBondContact O-N 3.4Å; Y65-R76 VanDerWaalsContact CE2-CD 3.43Å; Y65-R76 VanDerWaalsContact OH-CD 3.23Å; Y65-R76 WeakPolarHBondContact OH-CD 3.2Å; Y65-R111 WeakPolarHBondContact O-CB 3.44Å; Y65-R111 PolarHBondContact O-N 2.96Å
66R91.3Very high91.2Very high213 Ų21364.5 Ų64.580%0.80431%0.309SS*.SBendtrans-65-42.4173.5177.5-178.515595.21.2112.3T110R66-T110 PolarHBondContact O-OG1 3.11Å
67L92.3Very high91.2Very high97 Ų9760.7 Ų60.751%0.50829%0.289SS..SBendtrans-115.4118.7179.3176.565.2000109T69 V108L67-T69 HydrophobicContact CD1-CG2 3.98Å; L67-T69 HydrophobicContact CG-CG2 4.23Å; L67-V108 HydrophobicContact CD1-CG1 3.77Å
68I93.3Very high91.2Very high0 Ų062.9 Ų62.90%030%0.298CS..BIsolated β-bridgetrans-120.2110.9-178.2-59.5165.5000107.7V62 V73 L88 I97 F109V62-I68 HydrophobicContact CG1-CD1 4.34Å; V62-I68 HydrophobicContact CG1-CG1 4.31Å; V62-I68 HydrophobicContact CG1-CG2 3.73Å; V62-I68 WeakPolarHBondContact O-CD1 3.26Å; V62-I68 WeakPolarHBondContact O-CG1 3.48Å; I68-V73 HydrophobicContact CG2-CG2 4.34Å; I68-L88 HydrophobicContact CG2-CD1 4.33Å; I68-L88 HydrophobicContact CG2-CD2 3.25Å; I68-L88 HydrophobicContact CG2-CG 4.43Å; I68-I97 HydrophobicContact CD1-CB 4.19Å; I68-I97 HydrophobicContact CD1-CG2 3.6Å; I68-F109 HydrophobicContact CB-CB 3.81Å; I68-F109 WeakPolarHBondContact CB-O 3.47Å; I68-F109 HydrophobicContact CG2-CB 3.94Å; I68-F109 HydrophobicContact CG2-CD2 4.46Å; I68-F109 PolarHBondContact N-O 2.95Å; I68-F109 PolarHBondContact O-N 3.13Å
69T94.1Very high91.3Very high14 Ų1462.8 Ų62.89%0.08630%0.298CS..  trans-131.8156.1174.165.20000109.6L67 S71 V72 V73 V108L67-T69 HydrophobicContact CD1-CG2 3.98Å; L67-T69 HydrophobicContact CG-CG2 4.23Å; T69-S71 PolarHBondContact O-N 2.96Å; T69-S71 VanDerWaalsContact O-N 3.14Å; T69-S71 PolarHBondContact OG1-OG 3.46Å; T69-V72 PolarHBondContact O-N 2.85Å; T69-V72 VanDerWaalsContact O-N 3.12Å; T69-V72 WeakPolarHBondContact OG1-CB 3.28Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.21Å; T69-V72 PolarHBondContact OG1-N 3.15Å; T69-V73 WeakPolarHBondContact O-CG2 3.47Å; T69-V73 PolarHBondContact O-N 2.93Å; T69-V108 HydrophobicContact CG2-CG2 4.37Å
70P93.2Very high91.4Very high12 Ų1266.3 Ų66.38%0.07831%0.311CS..Hα-helixtrans-56-31.4177.3-26.133.9000113.7S74 V81 K85 L88 W107P70-S74 WeakPolarHBondContact O-CB 3.37Å; P70-S74 PolarHBondContact O-N 3.45Å; P70-S74 VanDerWaalsContact O-N 3.14Å; P70-V81 HydrophobicContact CB-CG1 3.83Å; P70-K85 HydrophobicContact CB-CG 3.97Å; P70-K85 HydrophobicContact CG-CG 4Å; P70-L88 HydrophobicContact CB-CD1 4.45Å; P70-L88 HydrophobicContact CG-CD1 4Å; P70-W107 WeakPolarHBondContact CD-O 3.3Å; P70-W107 HydrophobicContact CG-CB 4.12Å; P70-W107 HydrophobicContact CG-CE3 4.15Å
71S92.7Very high91.6Very high63 Ų6361.8 Ų61.844%0.44130%0.297SS..Hα-helixtrans-70-47.4175.445.90000112.3T69 V73 S74 E75T69-S71 PolarHBondContact O-N 2.96Å; T69-S71 VanDerWaalsContact O-N 3.14Å; T69-S71 PolarHBondContact OG1-OG 3.46Å; S71-V73 VanDerWaalsContact C-N 3.31Å; S71-V73 PolarHBondContact O-N 3.09Å; S71-S74 WeakPolarHBondContact O-CB 3.5Å; S71-S74 PolarHBondContact O-N 3.26Å; S71-S74 VanDerWaalsContact O-N 3.14Å; S71-E75 WeakPolarHBondContact O-CG 3.36Å; S71-E75 PolarHBondContact O-N 3.14Å
72V93.1Very high91.7Very high27 Ų2762 Ų6216%0.16431%0.306CS..Hα-helixtrans-61.4-41178.6171.40000111.2T69 E75 R76T69-V72 PolarHBondContact O-N 2.85Å; T69-V72 VanDerWaalsContact O-N 3.12Å; T69-V72 WeakPolarHBondContact OG1-CB 3.28Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.21Å; T69-V72 PolarHBondContact OG1-N 3.15Å; V72-E75 PolarHBondContact O-N 2.92Å; V72-R76 WeakPolarHBondContact O-CG 3.34Å; V72-R76 PolarHBondContact O-N 2.94Å; V72-R76 VanDerWaalsContact O-N 3.15Å
73V92.6Very high91.9Very high1 Ų162.8 Ų62.81%0.00631%0.311CS..Hα-helixtrans-65.2-40.6176.71770000111.1V62 I68 T69 S71 E75 R76 L77 V79 A84 L88V62-V73 HydrophobicContact CG1-CG2 4.06Å; V62-V73 HydrophobicContact CG2-CG1 4.5Å; V62-V73 HydrophobicContact CG2-CG2 4.31Å; I68-V73 HydrophobicContact CG2-CG2 4.34Å; T69-V73 WeakPolarHBondContact O-CG2 3.47Å; T69-V73 PolarHBondContact O-N 2.93Å; S71-V73 VanDerWaalsContact C-N 3.31Å; S71-V73 PolarHBondContact O-N 3.09Å; V73-E75 PolarHBondContact O-N 3.43Å; V73-R76 PolarHBondContact O-N 2.82Å; V73-L77 HydrophobicContact CG1-CD1 3.86Å; V73-L77 HydrophobicContact CG1-CG 4.45Å; V73-L77 WeakPolarHBondContact O-CB 3.14Å; V73-L77 PolarHBondContact O-N 3.36Å; V73-V79 HydrophobicContact CG1-CG2 4.47Å; V73-A84 HydrophobicContact CB-CB 3.96Å; V73-A84 HydrophobicContact CG1-CB 3.69Å; V73-L88 HydrophobicContact CG2-CD1 4.23Å; V73-L88 HydrophobicContact CG2-CD2 4.15Å; V73-L88 HydrophobicContact CG2-CG 4.38Å
74S91.7Very high92.1Very high13 Ų1361 Ų619%0.09130%0.3CS..Hα-helixtrans-62.8-41.2178-173.80000112.3P70 S71 K78 V79P70-S74 WeakPolarHBondContact O-CB 3.37Å; P70-S74 PolarHBondContact O-N 3.45Å; P70-S74 VanDerWaalsContact O-N 3.14Å; S71-S74 WeakPolarHBondContact O-CB 3.5Å; S71-S74 PolarHBondContact O-N 3.26Å; S71-S74 VanDerWaalsContact O-N 3.14Å; S74-K78 WeakPolarHBondContact O-CA 3.45Å; S74-K78 PolarHBondContact O-N 3.4Å; S74-K78 VanDerWaalsContact O-N 3.14Å; S74-V79 WeakPolarHBondContact CA-O 3.44Å; S74-V79 WeakPolarHBondContact CB-O 3.5Å; S74-V79 PolarHBondContact O-N 3.43Å; S74-V79 PolarHBondContact OG-O 2.92Å
75E90.8Very high92.3Very high150 Ų15061.1 Ų61.170%0.70129%0.289SS*.Hα-helixtrans-67.1-41.2178.7-72.5172.1-161.700112.6S71 V72 V73S71-E75 WeakPolarHBondContact O-CG 3.36Å; S71-E75 PolarHBondContact O-N 3.14Å; V72-E75 PolarHBondContact O-N 2.92Å; V73-E75 PolarHBondContact O-N 3.43Å
76R90.6Very high92.4Very high148 Ų14862 Ų6256%0.55830%0.304SS*.Hα-helixtrans-80.7-47-174.4-66.5-175.4-178.2-104.1-0.1113.3Y65 V72 V73 K78Y65-R76 VanDerWaalsContact CE2-CD 3.43Å; Y65-R76 VanDerWaalsContact OH-CD 3.23Å; Y65-R76 WeakPolarHBondContact OH-CD 3.2Å; V72-R76 WeakPolarHBondContact O-CG 3.34Å; V72-R76 PolarHBondContact O-N 2.94Å; V72-R76 VanDerWaalsContact O-N 3.15Å; V73-R76 PolarHBondContact O-N 2.82Å; R76-K78 VanDerWaalsContact C-N 3.33Å
77L90.6Very high92.5Very high11 Ų1152 Ų526%0.05827%0.266CS..Hα-helixtrans-86.6-4.9-177.9-62.7-179.1000113.1M47 K57 L58 V62 V73 V79M47-L77 VanDerWaalsContact CE-O 3.24Å; M47-L77 WeakPolarHBondContact CE-O 3.46Å; K57-L77 HydrophobicContact CB-CD2 3.79Å; L58-L77 HydrophobicContact CB-CD1 3.98Å; L58-L77 HydrophobicContact CD1-CD1 4.37Å; L58-L77 HydrophobicContact CG-CD1 4.4Å; V62-L77 HydrophobicContact CG2-CD1 4.12Å; V73-L77 HydrophobicContact CG1-CD1 3.86Å; V73-L77 HydrophobicContact CG1-CG 4.45Å; V73-L77 WeakPolarHBondContact O-CB 3.14Å; V73-L77 PolarHBondContact O-N 3.36Å; L77-V79 HydrophobicContact CB-CG1 4.03Å; L77-V79 HydrophobicContact CB-CG2 4.03Å; L77-V79 PolarHBondContact O-N 3.39Å
78K90.8Very high92.6Very high146 Ų14647.4 Ų47.464%0.63524%0.242SC*.THydrogen-bonded Turntrans54.638.4-175-58.5179.3178.1175.80112.5N46 M47 S74 R76N46-K78 CarbonylContact C-O 3.57Å; N46-K78 VanDerWaalsContact CA-O 3.29Å; N46-K78 WeakPolarHBondContact CA-O 3.27Å; M47-K78 HydrophobicContact CE-CB 4.48Å; M47-K78 PolarHBondContact N-O 2.74Å; S74-K78 WeakPolarHBondContact O-CA 3.45Å; S74-K78 PolarHBondContact O-N 3.4Å; S74-K78 VanDerWaalsContact O-N 3.14Å; R76-K78 VanDerWaalsContact C-N 3.33Å
79V92.7Very high92.5Very high0 Ų054.6 Ų54.60%027%0.269CS..BIsolated β-bridgetrans-109.9158.1178.2-61.60000111.2M47 V73 S74 L77 L83 A84M47-V79 HydrophobicContact CB-CG1 4.36Å; M47-V79 HydrophobicContact CE-CG1 3.96Å; V73-V79 HydrophobicContact CG1-CG2 4.47Å; S74-V79 WeakPolarHBondContact CA-O 3.44Å; S74-V79 WeakPolarHBondContact CB-O 3.5Å; S74-V79 PolarHBondContact O-N 3.43Å; S74-V79 PolarHBondContact OG-O 2.92Å; L77-V79 HydrophobicContact CB-CG1 4.03Å; L77-V79 HydrophobicContact CB-CG2 4.03Å; L77-V79 PolarHBondContact O-N 3.39Å; V79-L83 HydrophobicContact CB-CD2 3.68Å; V79-L83 HydrophobicContact CG1-CD2 3.94Å; V79-L83 HydrophobicContact CG2-CD2 3.8Å; V79-A84 HydrophobicContact CG2-CB 4.23Å
80R93.4Very high92.5Very high127 Ų12756.9 Ų56.948%0.47928%0.279SS..  trans-65.5148.7174-73.5-171.2179.2170.33111.8N46 M47 S82 L83 A84N46-R80 HydrophobicContact CB-CG 4.03Å; M47-R80 PolarHBondContact O-N 2.8Å; R80-S82 PolarHBondContact O-N 3.11Å; R80-L83 PolarHBondContact O-N 3.4Å; R80-L83 VanDerWaalsContact O-N 3.1Å; R80-A84 PolarHBondContact O-N 3.47Å
81V92.8Very high92.4Very high65 Ų6556.3 Ų56.339%0.39428%0.275SS..Hα-helixtrans-59.9-33.8178.5-178.30000112P70 L83 A84 K85P70-V81 HydrophobicContact CB-CG1 3.83Å; V81-L83 VanDerWaalsContact C-N 3.33Å; V81-L83 PolarHBondContact O-N 3.1Å; V81-A84 PolarHBondContact O-N 3.16Å; V81-K85 HydrophobicContact CG1-CG 4.43Å; V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 WeakPolarHBondContact O-CG 3.23Å; V81-K85 PolarHBondContact O-N 2.85Å
82S92.5Very high92.3Very high81 Ų8156.8 Ų56.857%0.56627%0.27SS*.Hα-helixtrans-59.6-43.9175.752.50000112.1R80 K85 A86R80-S82 PolarHBondContact O-N 3.11Å; S82-K85 PolarHBondContact O-N 3.47Å; S82-A86 PolarHBondContact O-N 3.38Å; S82-A86 VanDerWaalsContact O-N 3.16Å
83L92.7Very high92.2Very high17 Ų1760.5 Ų60.59%0.08930%0.298CS..Hα-helixtrans-75.4-37.6178.7175156.6000111.2V48 L49 F50 V79 R80 V81 K85 A86 G87V48-L83 WeakPolarHBondContact O-CD1 3.36Å; L49-L83 VanDerWaalsContact C-CD1 3.49Å; F50-L83 HydrophobicContact CD1-CD2 3.8Å; F50-L83 HydrophobicContact CD2-CD1 3.87Å; F50-L83 HydrophobicContact CD2-CD2 3.81Å; F50-L83 HydrophobicContact CD2-CG 3.83Å; F50-L83 HydrophobicContact CE1-CD2 3.3Å; F50-L83 HydrophobicContact CE1-CG 4.36Å; F50-L83 HydrophobicContact CE2-CD1 4.1Å; F50-L83 HydrophobicContact CE2-CD2 3.31Å; F50-L83 HydrophobicContact CE2-CG 3.52Å; F50-L83 HydrophobicContact CG-CD1 4.14Å; F50-L83 HydrophobicContact CG-CD2 4.05Å; F50-L83 HydrophobicContact CG-CG 4.38Å; F50-L83 HydrophobicContact CZ-CD2 3.03Å; F50-L83 HydrophobicContact CZ-CG 3.83Å; V79-L83 HydrophobicContact CB-CD2 3.68Å; V79-L83 HydrophobicContact CG1-CD2 3.94Å; V79-L83 HydrophobicContact CG2-CD2 3.8Å; R80-L83 PolarHBondContact O-N 3.4Å; R80-L83 VanDerWaalsContact O-N 3.1Å; V81-L83 VanDerWaalsContact C-N 3.33Å; V81-L83 PolarHBondContact O-N 3.1Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.46Å; L83-A86 WeakPolarHBondContact O-CB 3.37Å; L83-A86 PolarHBondContact O-N 2.94Å; L83-A86 VanDerWaalsContact O-N 3.11Å; L83-G87 PolarHBondContact O-N 3.41Å
84A93.6Very high92.1Very high0 Ų065.7 Ų65.70%032%0.32CS..Hα-helixtrans-58.4-42.1170.600000112V73 V79 R80 V81 A86 G87 L88V73-A84 HydrophobicContact CB-CB 3.96Å; V73-A84 HydrophobicContact CG1-CB 3.69Å; V79-A84 HydrophobicContact CG2-CB 4.23Å; R80-A84 PolarHBondContact O-N 3.47Å; V81-A84 PolarHBondContact O-N 3.16Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 2.92Å; A84-G87 PolarHBondContact O-N 2.8Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 VanDerWaalsContact O-CG 3.27Å; A84-L88 WeakPolarHBondContact O-CG 3.24Å; A84-L88 PolarHBondContact O-N 2.84Å
85K93.4Very high92Very high64 Ų6467 Ų6728%0.27834%0.335SS..Hα-helixtrans-60.7-41.3173.7-78.1-173177.2-169.40111.7P70 V81 S82 L83 R89 W107P70-K85 HydrophobicContact CB-CG 3.97Å; P70-K85 HydrophobicContact CG-CG 4Å; V81-K85 HydrophobicContact CG1-CG 4.43Å; V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 WeakPolarHBondContact O-CG 3.23Å; V81-K85 PolarHBondContact O-N 2.85Å; S82-K85 PolarHBondContact O-N 3.47Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.46Å; K85-R89 WeakPolarHBondContact O-CG 3.44Å; K85-R89 PolarHBondContact O-N 3.37Å; K85-R89 VanDerWaalsContact O-N 3.15Å; K85-W107 HydrophobicContact CB-CE3 4.42Å; K85-W107 HydrophobicContact CB-CH2 4.12Å; K85-W107 HydrophobicContact CB-CZ3 3.62Å; K85-W107 HydrophobicContact CD-CE3 4.48Å; K85-W107 HydrophobicContact CD-CH2 4Å; K85-W107 HydrophobicContact CD-CZ3 4Å; K85-W107 HydrophobicContact CG-CE3 4.01Å; K85-W107 HydrophobicContact CG-CH2 4.12Å; K85-W107 HydrophobicContact CG-CZ3 3.6Å
86A93.2Very high91.9Very high54 Ų5462.8 Ų62.845%0.44632%0.318SS..Hα-helixtrans-64-48.7176.900000111.7S82 L83 A84 L88 R89 E90S82-A86 PolarHBondContact O-N 3.38Å; S82-A86 VanDerWaalsContact O-N 3.16Å; L83-A86 WeakPolarHBondContact O-CB 3.37Å; L83-A86 PolarHBondContact O-N 2.94Å; L83-A86 VanDerWaalsContact O-N 3.11Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 2.92Å; A86-L88 VanDerWaalsContact C-N 3.34Å; A86-L88 PolarHBondContact O-N 2.93Å; A86-R89 WeakPolarHBondContact O-CB 3.4Å; A86-R89 PolarHBondContact O-N 3.14Å; A86-E90 PolarHBondContact O-N 3.1Å; A86-E90 VanDerWaalsContact O-N 3.13Å
87G93.3Very high92Very high1 Ų155.9 Ų55.91%0.0129%0.292CS..Hα-helixtrans-63.7-35.8178.400000113.6L83 A84 E90 L91L83-G87 PolarHBondContact O-N 3.41Å; A84-G87 PolarHBondContact O-N 2.8Å; G87-E90 PolarHBondContact O-N 3.31Å; G87-L91 WeakPolarHBondContact O-CG 3.5Å; G87-L91 PolarHBondContact O-N 3.26Å
88L93.1Very high92Very high2 Ų261.6 Ų61.61%0.0132%0.316CS..Hα-helixtrans-67.7-35.6174.4-71.8175.8000112.9V62 I68 P70 V73 A84 A86 E90 L91 H92 I97 F109V62-L88 HydrophobicContact CG1-CD2 3.99Å; I68-L88 HydrophobicContact CG2-CD1 4.33Å; I68-L88 HydrophobicContact CG2-CD2 3.25Å; I68-L88 HydrophobicContact CG2-CG 4.43Å; P70-L88 HydrophobicContact CB-CD1 4.45Å; P70-L88 HydrophobicContact CG-CD1 4Å; V73-L88 HydrophobicContact CG2-CD1 4.23Å; V73-L88 HydrophobicContact CG2-CD2 4.15Å; V73-L88 HydrophobicContact CG2-CG 4.38Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 VanDerWaalsContact O-CG 3.27Å; A84-L88 WeakPolarHBondContact O-CG 3.24Å; A84-L88 PolarHBondContact O-N 2.84Å; A86-L88 VanDerWaalsContact C-N 3.34Å; A86-L88 PolarHBondContact O-N 2.93Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-L91 HydrophobicContact CD2-CD1 4.38Å; L88-H92 VanDerWaalsContact O-CB 3.26Å; L88-H92 WeakPolarHBondContact O-CB 3.37Å; L88-H92 PolarHBondContact O-N 2.63Å; L88-I97 HydrophobicContact CB-CD1 4.45Å; L88-I97 HydrophobicContact CD2-CD1 3.7Å; L88-F109 HydrophobicContact CB-CD2 4.47Å; L88-F109 HydrophobicContact CB-CE2 3.97Å; L88-F109 HydrophobicContact CB-CZ 4.37Å; L88-F109 HydrophobicContact CD1-CD2 4.08Å; L88-F109 HydrophobicContact CD1-CE2 4Å; L88-F109 HydrophobicContact CD2-CD2 4.41Å; L88-F109 HydrophobicContact CG-CE2 4.45Å
89R92.8Very high92Very high150 Ų15057.7 Ų57.757%0.56630%0.3SS*.Hα-helixtrans-62.1-43.6171.9-70.2178.9-156-115.513.7110.6K85 A86 H92 S93 W107K85-R89 WeakPolarHBondContact O-CG 3.44Å; K85-R89 PolarHBondContact O-N 3.37Å; K85-R89 VanDerWaalsContact O-N 3.15Å; A86-R89 WeakPolarHBondContact O-CB 3.4Å; A86-R89 PolarHBondContact O-N 3.14Å; R89-H92 PolarHBondContact O-N 3.25Å; R89-S93 WeakPolarHBondContact O-CB 3.39Å; R89-S93 PolarHBondContact O-N 3.48Å; R89-S93 PolarHBondContact O-OG 3.22Å; R89-S93 VanDerWaalsContact O-OG 3.12Å; R89-W107 HydrophobicContact CG-CH2 4.39Å; R89-W107 HydrophobicContact CG-CZ3 4.24Å
90E92.4Very high92Very high62 Ų6262.6 Ų62.629%0.2933%0.325SS..Hα-helixtrans-63.1-46.6178.2-167.9-176.2172.100112.2Y55 Y59 A86 G87 L88 H92 S93 K94Y55-E90 PolarHBondContact OH-OE1 3.35Å; Y55-E90 PolarHBondContact OH-OE2 3.05Å; Y59-E90 PolarHBondContact OH-OE1 2.96Å; A86-E90 PolarHBondContact O-N 3.1Å; A86-E90 VanDerWaalsContact O-N 3.13Å; G87-E90 PolarHBondContact O-N 3.31Å; L88-E90 VanDerWaalsContact C-N 3.32Å; E90-H92 VanDerWaalsContact C-N 3.28Å; E90-H92 PolarHBondContact O-N 2.99Å; E90-S93 PolarHBondContact O-N 2.97Å; E90-K94 HydrophobicContact CG-CD 4.35Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.14Å; E90-K94 WeakPolarHBondContact OE1-CE 3.35Å; E90-K94 IonicContact OE1-NZ 2.76Å; E90-K94 PolarHBondContact OE1-NZ 3.38Å
91L91.8Very high91.9Very high0 Ų059.5 Ų59.50%032%0.32CS..Hα-helixtrans-61.7-36.6175.9-73.6177.6000112.6L58 Y59 V62 V63 G87 L88 G95 L96 I97L58-L91 HydrophobicContact CD2-CD1 3.47Å; L58-L91 VanDerWaalsContact CD2-CD1 3.47Å; L58-L91 HydrophobicContact CD2-CD2 3.77Å; L58-L91 HydrophobicContact CD2-CG 3.58Å; L58-L91 HydrophobicContact CG-CD1 4.16Å; Y59-L91 HydrophobicContact CD1-CD2 3.95Å; Y59-L91 HydrophobicContact CE1-CD2 3.86Å; V62-L91 HydrophobicContact CB-CD1 4.06Å; V62-L91 HydrophobicContact CG1-CD1 3.81Å; V63-L91 HydrophobicContact CG2-CD2 4.18Å; G87-L91 WeakPolarHBondContact O-CG 3.5Å; G87-L91 PolarHBondContact O-N 3.26Å; L88-L91 HydrophobicContact CD2-CD1 4.38Å; L91-G95 PolarHBondContact O-N 3.04Å; L91-L96 HydrophobicContact CD2-CB 4.28Å; L91-L96 HydrophobicContact CD2-CD1 3.59Å; L91-L96 PolarHBondContact O-N 3.26Å; L91-I97 HydrophobicContact CB-CD1 3.69Å; L91-I97 HydrophobicContact CB-CG1 3.87Å; L91-I97 HydrophobicContact CB-CG2 4.31Å; L91-I97 HydrophobicContact CD1-CD1 4.44Å; L91-I97 HydrophobicContact CD1-CG2 4.4Å
92H91.1Very high91.6Very high73 Ų7361.1 Ų61.134%0.33834%0.335SS..Hα-helixtrans-69.2-44.9176.3-176.4-108.8000111.3L88 R89 E90 K94 G95 I97 Q99 F109L88-H92 VanDerWaalsContact O-CB 3.26Å; L88-H92 WeakPolarHBondContact O-CB 3.37Å; L88-H92 PolarHBondContact O-N 2.63Å; R89-H92 PolarHBondContact O-N 3.25Å; E90-H92 VanDerWaalsContact C-N 3.28Å; E90-H92 PolarHBondContact O-N 2.99Å; H92-K94 PolarHBondContact O-N 3.14Å; H92-G95 PolarHBondContact O-N 3.15Å; H92-I97 HydrophobicContact CB-CD1 4.39Å; H92-I97 HydrophobicContact CB-CG1 4.13Å; H92-Q99 WeakPolarHBondContact NE2-CB 3.21Å; H92-F109 HydrophobicContact CB-CE1 3.97Å; H92-F109 AromaticContact CD2-CE1 3.87Å; H92-F109 AromaticContact CG-CE1 3.93Å
93S91.2Very high91.6Very high105 Ų10562.2 Ų62.273%0.73433%0.331SS*.Hα-helixtrans-60.6-32.9174.6-67.40000112.8R89 E90 G95R89-S93 WeakPolarHBondContact O-CB 3.39Å; R89-S93 PolarHBondContact O-N 3.48Å; R89-S93 PolarHBondContact O-OG 3.22Å; R89-S93 VanDerWaalsContact O-OG 3.12Å; E90-S93 PolarHBondContact O-N 2.97Å; S93-G95 VanDerWaalsContact C-N 3.29Å
94K90.4Very high91.4Very high110 Ų11067.5 Ų67.548%0.47836%0.359SS..THydrogen-bonded Turntrans-79.9-4.6174.2-70177.6177.7175.60113.9Y59 E90 H92 L96Y59-K94 HydrophobicContact CE1-CD 3.98Å; Y59-K94 PolarHBondContact OH-NZ 3.49Å; E90-K94 HydrophobicContact CG-CD 4.35Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.14Å; E90-K94 WeakPolarHBondContact OE1-CE 3.35Å; E90-K94 IonicContact OE1-NZ 2.76Å; E90-K94 PolarHBondContact OE1-NZ 3.38Å; H92-K94 PolarHBondContact O-N 3.14Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 HydrophobicContact CB-CD1 4.24Å; K94-L96 HydrophobicContact CB-CG 4.21Å; K94-L96 PolarHBondContact O-N 3.44Å
95G89Confident91.1Very high40 Ų4074 Ų7441%0.41239%0.394SS..THydrogen-bonded Turntrans72.713.1-18000000115.3L91 H92 S93 N112L91-G95 PolarHBondContact O-N 3.04Å; H92-G95 PolarHBondContact O-N 3.15Å; S93-G95 VanDerWaalsContact C-N 3.29Å; G95-N112 PolarHBondContact O-ND2 3.44Å
96L89.3Confident90.9Very high62 Ų6276.6 Ų76.633%0.32541%0.407SS..SBendtrans-77.5-25.3-179.5-65.7171.6000112.5Y59 V63 L91 K94Y59-L96 HydrophobicContact CD1-CD1 3.87Å; Y59-L96 HydrophobicContact CE1-CD1 3.99Å; V63-L96 HydrophobicContact CG1-CB 4.46Å; V63-L96 HydrophobicContact CG2-CB 3.94Å; V63-L96 HydrophobicContact CG2-CD1 4.37Å; L91-L96 HydrophobicContact CD2-CB 4.28Å; L91-L96 HydrophobicContact CD2-CD1 3.59Å; L91-L96 PolarHBondContact O-N 3.26Å; K94-L96 VanDerWaalsContact C-N 3.28Å; K94-L96 HydrophobicContact CB-CD1 4.24Å; K94-L96 HydrophobicContact CB-CG 4.21Å; K94-L96 PolarHBondContact O-N 3.44Å
97I91.7Very high90.8Very high4 Ų475.7 Ų75.72%0.02139%0.392CS..EExtended strand (participates in β ladder)trans-128.7148.5178.466.1176.6000109.8V63 I68 L88 L91 H92 F109V63-I97 HydrophobicContact CG2-CG2 4.48Å; I68-I97 HydrophobicContact CD1-CB 4.19Å; I68-I97 HydrophobicContact CD1-CG2 3.6Å; L88-I97 HydrophobicContact CB-CD1 4.45Å; L88-I97 HydrophobicContact CD2-CD1 3.7Å; L91-I97 HydrophobicContact CB-CD1 3.69Å; L91-I97 HydrophobicContact CB-CG1 3.87Å; L91-I97 HydrophobicContact CB-CG2 4.31Å; L91-I97 HydrophobicContact CD1-CD1 4.44Å; L91-I97 HydrophobicContact CD1-CG2 4.4Å; H92-I97 HydrophobicContact CB-CD1 4.39Å; H92-I97 HydrophobicContact CB-CG1 4.13Å; I97-F109 HydrophobicContact CB-CB 4.45Å; I97-F109 HydrophobicContact CD1-CB 3.96Å; I97-F109 HydrophobicContact CD1-CD1 3.65Å; I97-F109 HydrophobicContact CD1-CD2 4.33Å; I97-F109 HydrophobicContact CD1-CE1 4.19Å; I97-F109 HydrophobicContact CD1-CG 3.74Å; I97-F109 HydrophobicContact CG1-CB 4.43Å; I97-F109 HydrophobicContact CG1-CD1 4Å; I97-F109 HydrophobicContact CG1-CG 4.41Å
98K91.1Very high90.9Very high130 Ų13076.6 Ų76.657%0.56540%0.397SS*.EExtended strand (participates in β ladder)trans-103.9130177.5178.4177.1179.3176.50110.3F109 T110K98-F109 CarbonylContact O-C 3.5Å; K98-F109 WeakPolarHBondContact O-CA 3.29Å; K98-T110 HydrophobicContact CB-CG2 3.89Å; K98-T110 HydrophobicContact CG-CG2 4.38Å; K98-T110 PolarHBondContact N-O 2.9Å; K98-T110 PolarHBondContact O-N 3.14Å
99Q91.4Very high90.9Very high64 Ų6476.8 Ų76.830%0.29940%0.398SS..EExtended strand (participates in β ladder)trans-76132172.2-1701663.400110.8H92 F109H92-Q99 WeakPolarHBondContact NE2-CB 3.21Å; Q99-F109 HydrophobicContact CB-CD1 3.78Å; Q99-F109 HydrophobicContact CB-CE1 3.76Å; Q99-F109 HydrophobicContact CG-CD1 4.14Å; Q99-F109 HydrophobicContact CG-CE1 3.88Å
100I91.2Very high90.9Very high103 Ų10371.1 Ų71.153%0.52838%0.38SS..EExtended strand (participates in β ladder)trans-102.7-48.5175.6-57.4167.3000110V108 T110I100-V108 HydrophobicContact CB-CG1 4.44Å; I100-V108 HydrophobicContact CD1-CG1 4.17Å; I100-V108 PolarHBondContact N-O 3.14Å; I100-T110 HydrophobicContact CD1-CG2 3.69Å; I100-T110 HydrophobicContact CG1-CG2 3.79Å
101V91Very high90.8Very high62 Ų6274 Ų7438%0.37639%0.388SS..EExtended strand (participates in β ladder)trans-128.7130-175.2-176.50000110.1V108V101-V108 HydrophobicContact CB-CB 4.1Å; V101-V108 HydrophobicContact CB-CG2 4.2Å; V101-V108 HydrophobicContact CG2-CB 4.28Å; V101-V108 HydrophobicContact CG2-CG2 4.41Å; V101-V108 PolarHBondContact N-O 3.01Å; V101-V108 PolarHBondContact O-N 2.95Å
102S87.7Confident90.5Very high99 Ų9977.4 Ų77.469%0.69241%0.406SS*.EExtended strand (participates in β ladder)trans-115.182.2176.4610000111
103H93.1Very high89.8Confident105 Ų10579.3 Ų79.349%0.48642%0.423SS..  trans-112.8150.6170-175.9-102.2000110.3N105 Q106 W107H103-N105 PolarHBondContact ND1-N 3.21Å; H103-N105 PolarHBondContact O-N 3.22Å; H103-Q106 HydrophobicContact CB-CB 4.34Å; H103-Q106 WeakPolarHBondContact CB-O 3.34Å; H103-Q106 PolarHBondContact N-O 3.12Å; H103-Q106 VanDerWaalsContact N-O 3.1Å; H103-Q106 CarbonylContact O-C 3.51Å; H103-Q106 PolarHBondContact O-N 2.97Å; H103-W107 PolarHBondContact O-NE1 2.91Å; H103-W107 VanDerWaalsContact O-NE1 3.14Å
104N87.7Confident88.5Confident128 Ų12881.9 Ų81.968%0.68442%0.421SS*.SBendtrans-56.3-41.2-177.9-173.320.4000112.4
105N86.3Confident86.6Confident136 Ų13686.1 Ų86.173%0.72744%0.443SS*.SBendtrans-92.2-18-178.1-64.3-14000113.9H103H103-N105 PolarHBondContact ND1-N 3.21Å; H103-N105 PolarHBondContact O-N 3.22Å
106Q89.4Confident84.6Confident118 Ų11887.8 Ų87.855%0.55146%0.46SS*.  trans-136.1116.4-173.5-170.1174.116.900110.8H103 V108H103-Q106 HydrophobicContact CB-CB 4.34Å; H103-Q106 WeakPolarHBondContact CB-O 3.34Å; H103-Q106 PolarHBondContact N-O 3.12Å; H103-Q106 VanDerWaalsContact N-O 3.1Å; H103-Q106 CarbonylContact O-C 3.51Å; H103-Q106 PolarHBondContact O-N 2.97Å; Q106-V108 HydrophobicContact CG-CG2 4.05Å
107W92.4Very high82.2Confident36 Ų3692.7 Ų92.714%0.13648%0.479CS..EExtended strand (participates in β ladder)trans-111.1129.5170.7-62.2-11.1000109P70 K85 R89 H103 F109P70-W107 WeakPolarHBondContact CD-O 3.3Å; P70-W107 HydrophobicContact CG-CB 4.12Å; P70-W107 HydrophobicContact CG-CE3 4.15Å; K85-W107 HydrophobicContact CB-CE3 4.42Å; K85-W107 HydrophobicContact CB-CH2 4.12Å; K85-W107 HydrophobicContact CB-CZ3 3.62Å; K85-W107 HydrophobicContact CD-CE3 4.48Å; K85-W107 HydrophobicContact CD-CH2 4Å; K85-W107 HydrophobicContact CD-CZ3 4Å; K85-W107 HydrophobicContact CG-CE3 4.01Å; K85-W107 HydrophobicContact CG-CH2 4.12Å; K85-W107 HydrophobicContact CG-CZ3 3.6Å; R89-W107 HydrophobicContact CG-CH2 4.39Å; R89-W107 HydrophobicContact CG-CZ3 4.24Å; H103-W107 PolarHBondContact O-NE1 2.91Å; H103-W107 VanDerWaalsContact O-NE1 3.14Å; W107-F109 HydrophobicContact CB-CD2 4.41Å; W107-F109 HydrophobicContact CB-CE2 3.75Å; W107-F109 HydrophobicContact CB-CZ 4.45Å; W107-F109 HydrophobicContact CE3-CE2 4.14Å; W107-F109 HydrophobicContact CE3-CZ 4.37Å; W107-F109 HydrophobicContact CG-CE2 4.46Å
108V94.3Very high79.5Confident20 Ų20101.7 Ų101.712%0.12152%0.521CS..EExtended strand (participates in β ladder)trans-126119.5176.6-173.60000107.9L67 T69 I100 V101 Q106L67-V108 HydrophobicContact CD1-CG1 3.77Å; T69-V108 HydrophobicContact CG2-CG2 4.37Å; I100-V108 HydrophobicContact CB-CG1 4.44Å; I100-V108 HydrophobicContact CD1-CG1 4.17Å; I100-V108 PolarHBondContact N-O 3.14Å; V101-V108 HydrophobicContact CB-CB 4.1Å; V101-V108 HydrophobicContact CB-CG2 4.2Å; V101-V108 HydrophobicContact CG2-CB 4.28Å; V101-V108 HydrophobicContact CG2-CG2 4.41Å; V101-V108 PolarHBondContact N-O 3.01Å; V101-V108 PolarHBondContact O-N 2.95Å; Q106-V108 HydrophobicContact CG-CG2 4.05Å
109F93.7Very high77.3Confident5 Ų5101.4 Ų101.42%0.02253%0.526CS..EExtended strand (participates in β ladder)trans-114.8159172.3-56-93.5000109.5I68 L88 H92 I97 K98 Q99 W107I68-F109 HydrophobicContact CB-CB 3.81Å; I68-F109 WeakPolarHBondContact CB-O 3.47Å; I68-F109 HydrophobicContact CG2-CB 3.94Å; I68-F109 HydrophobicContact CG2-CD2 4.46Å; I68-F109 PolarHBondContact N-O 2.95Å; I68-F109 PolarHBondContact O-N 3.13Å; L88-F109 HydrophobicContact CB-CD2 4.47Å; L88-F109 HydrophobicContact CB-CE2 3.97Å; L88-F109 HydrophobicContact CB-CZ 4.37Å; L88-F109 HydrophobicContact CD1-CD2 4.08Å; L88-F109 HydrophobicContact CD1-CE2 4Å; L88-F109 HydrophobicContact CD2-CD2 4.41Å; L88-F109 HydrophobicContact CG-CE2 4.45Å; H92-F109 HydrophobicContact CB-CE1 3.97Å; H92-F109 AromaticContact CD2-CE1 3.87Å; H92-F109 AromaticContact CG-CE1 3.93Å; I97-F109 HydrophobicContact CB-CB 4.45Å; I97-F109 HydrophobicContact CD1-CB 3.96Å; I97-F109 HydrophobicContact CD1-CD1 3.65Å; I97-F109 HydrophobicContact CD1-CD2 4.33Å; I97-F109 HydrophobicContact CD1-CE1 4.19Å; I97-F109 HydrophobicContact CD1-CG 3.74Å; I97-F109 HydrophobicContact CG1-CB 4.43Å; I97-F109 HydrophobicContact CG1-CD1 4Å; I97-F109 HydrophobicContact CG1-CG 4.41Å; K98-F109 CarbonylContact O-C 3.5Å; K98-F109 WeakPolarHBondContact O-CA 3.29Å; Q99-F109 HydrophobicContact CB-CD1 3.78Å; Q99-F109 HydrophobicContact CB-CE1 3.76Å; Q99-F109 HydrophobicContact CG-CD1 4.14Å; Q99-F109 HydrophobicContact CG-CE1 3.88Å; W107-F109 HydrophobicContact CB-CD2 4.41Å; W107-F109 HydrophobicContact CB-CE2 3.75Å; W107-F109 HydrophobicContact CB-CZ 4.45Å; W107-F109 HydrophobicContact CE3-CE2 4.14Å; W107-F109 HydrophobicContact CE3-CZ 4.37Å; W107-F109 HydrophobicContact CG-CE2 4.46Å
110T93.1Very high74.5Confident31 Ų31107.9 Ų107.919%0.1956%0.556CS.*EExtended strand (participates in β ladder)trans-126.6154.9170.7178.10000109.4R66 K98 I100R66-T110 PolarHBondContact O-OG1 3.11Å; K98-T110 HydrophobicContact CB-CG2 3.89Å; K98-T110 HydrophobicContact CG-CG2 4.38Å; K98-T110 PolarHBondContact N-O 2.9Å; K98-T110 PolarHBondContact O-N 3.14Å; I100-T110 HydrophobicContact CD1-CG2 3.69Å; I100-T110 HydrophobicContact CG1-CG2 3.79Å
111R90.5Very high72.3Confident123 Ų123107.7 Ų107.746%0.46457%0.57SS.*EExtended strand (participates in β ladder)trans-53149.5164.568.8-179.5-171.6-175.66.4111.1V63 Y65 T113V63-R111 WeakPolarHBondContact O-CB 3.05Å; Y65-R111 WeakPolarHBondContact O-CB 3.44Å; Y65-R111 PolarHBondContact O-N 2.96Å; R111-T113 HydrophobicContact CG-CG2 4.4Å
112N84.2Confident69.8Low71 Ų71108.1 Ų108.138%0.3859%0.587SS.*  trans-78.2123.9169.9-148.29.2000108.8G95 K114G95-N112 PolarHBondContact O-ND2 3.44Å; N112-K114 VanDerWaalsContact C-N 3.33Å
113T76.3Confident67.4Low113 Ų113112.8 Ų112.869%0.69360%0.598SS**  trans-91.53.5-179.3530000113R111R111-T113 HydrophobicContact CG-CG2 4.4Å
114K65.3Low64.7Low160 Ų160119.2 Ų119.270%0.69664%0.635SS**  trans-98.585.8176.2-65.7-175.2177.6-178.30108.7N112 G116N112-K114 VanDerWaalsContact C-N 3.33Å; K114-G116 PolarHBondContact O-N 2.85Å
115E49.2Very low63.5Low198 Ų198118.8 Ų118.893%0.92563%0.633SS**  trans-68.6119.8158.8-70.2178.516200107.1
116G48.6Very low62.3Low76 Ų76117.8 Ų117.878%0.78463%0.628SS**  trans84.349.3162.100000119.3K114K114-G116 PolarHBondContact O-N 2.85Å
117K38.3Very low60.8Low165 Ų165117.8 Ų117.872%0.71763%0.632SS**  trans-123.589.8150.6-84.9-166.7171.6-169.10110.3D119K117-D119 VanDerWaalsContact C-N 3.28Å; K117-D119 PolarHBondContact O-N 3.46Å
118E35.3Very low59Low193 Ų193122.6 Ų122.690%0.90266%0.661SS**  trans-54.6102.9138.5-68.8179.1147.700105.8
119D45Very low56.8Low124 Ų124129.1 Ų129.166%0.66370%0.695SS**  trans-163.2117.7163.9-85.8-46.8000108.7K117K117-D119 VanDerWaalsContact C-N 3.28Å; K117-D119 PolarHBondContact O-N 3.46Å
120Q32.9Very low54.3Low200 Ų200137.3 Ų137.394%0.93574%0.74SS**  trans-42.8133.8167.1-61.7160.92400111.3
121A43.4Very low51.5Low99 Ų99144.9 Ų144.982%0.81878%0.779SS**  trans-154.199.2163.500000110.7
122G38.9Very low48.5Very low71 Ų71146.6 Ų146.673%0.73280%0.803SS**  trans73.6107.515300000115.8
123E38.3Very low45.6Very low197 Ų197152.9 Ų152.992%0.92184%0.839SS**  66.285.271.3-158.2163.3135.300112.1
124D35.4Very low42.8Very low239 Ų239156.5 Ų156.5100%1.27885%0.852SS**  -139.20112.4-102.2-67.2000107.8

Retrieved 124 of 124 residues in 31.3 ms (Link to these results)