A0A077ZGN0_TRITR Loading...

Swi5 dependent recombination DNA repair protein

AlphaFold DB , UniProt , Accession A0A077ZGN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64.4Low77.1Confident246 Ų246114.6 Ų114.6100%1.21258%0.578SS**  0133.20-77.4-167.2171.500109.2
2Y70.8Confident77Confident172 Ų172116.2 Ų116.268%0.67558%0.578SS**  trans-68.2143.3178.3-62.1-70.4000112.4L6Y2-L6 HydrophobicContact CD1-CD2 3.56Å; Y2-L6 HydrophobicContact CE1-CD2 4.26Å; Y2-L6 HydrophobicContact CG-CD2 4.29Å
3S79.8Confident76.5Confident64 Ų64116.1 Ų116.145%0.44858%0.575SS.*  trans-63150.5177.776.80000111.7A5 L6 K7S3-A5 PolarHBondContact O-N 3.44Å; S3-L6 PolarHBondContact O-N 3.29Å; S3-L6 VanDerWaalsContact O-N 3.09Å; S3-L6 PolarHBondContact OG-N 3.14Å; S3-K7 PolarHBondContact O-N 3.46Å
4P83.2Confident75.4Confident111 Ų111110 Ų11072%0.72156%0.557SS**Hα-helixtrans-54.1-37175.2-26.534.7000112.9K7 E8P4-K7 PolarHBondContact O-N 3.3Å; P4-E8 WeakPolarHBondContact O-CB 3.14Å; P4-E8 PolarHBondContact O-N 3.03Å
5A83.6Confident74Confident74 Ų74113.2 Ų113.261%0.61256%0.559SS**Hα-helixtrans-65.3-39.8177.600000112.8S3 E8 K9S3-A5 PolarHBondContact O-N 3.44Å; A5-E8 PolarHBondContact O-N 3.16Å; A5-K9 WeakPolarHBondContact O-CB 3.33Å; A5-K9 PolarHBondContact O-N 2.7Å
6L75.2Confident72.8Confident68 Ų68112.7 Ų112.736%0.35657%0.565SS.*Hα-helixtrans-71.5-39.7177.5-173.864.3000111.4Y2 S3 E8 K9 L10Y2-L6 HydrophobicContact CD1-CD2 3.56Å; Y2-L6 HydrophobicContact CE1-CD2 4.26Å; Y2-L6 HydrophobicContact CG-CD2 4.29Å; S3-L6 PolarHBondContact O-N 3.29Å; S3-L6 VanDerWaalsContact O-N 3.09Å; S3-L6 PolarHBondContact OG-N 3.14Å; L6-E8 VanDerWaalsContact C-N 3.29Å; L6-E8 PolarHBondContact O-N 2.84Å; L6-K9 PolarHBondContact O-N 3.18Å; L6-L10 HydrophobicContact CG-CD1 4.24Å; L6-L10 WeakPolarHBondContact O-CB 3.44Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.47Å
7K77.8Confident71.8Confident132 Ų132113.2 Ų113.257%0.57456%0.56SS**Hα-helixtrans-58.5-42.4171.5-76.7-175.3178.7179.90111.3S3 P4 R11S3-K7 PolarHBondContact O-N 3.46Å; P4-K7 PolarHBondContact O-N 3.3Å; K7-R11 VanDerWaalsContact O-CB 3.26Å; K7-R11 WeakPolarHBondContact O-CB 3.27Å; K7-R11 PolarHBondContact O-N 3.06Å
8E80.8Confident70.5Confident67 Ų67116.2 Ų116.231%0.31357%0.565SS.*Hα-helixtrans-68.6-39.6178.1-176.957.8-161.900112.4P4 A5 L6 R11 K12P4-E8 WeakPolarHBondContact O-CB 3.14Å; P4-E8 PolarHBondContact O-N 3.03Å; A5-E8 PolarHBondContact O-N 3.16Å; L6-E8 VanDerWaalsContact C-N 3.29Å; L6-E8 PolarHBondContact O-N 2.84Å; E8-R11 PolarHBondContact O-N 2.94Å; E8-R11 IonicContact OE1-CZ 3.24Å; E8-R11 IonicContact OE1-NE 2.77Å; E8-R11 PolarHBondContact OE1-NE 3.47Å; E8-R11 IonicContact OE1-NH2 3.96Å; E8-R11 PolarHBondContact OE1-NH2 2.94Å; E8-R11 IonicContact OE2-CZ 3.85Å; E8-R11 IonicContact OE2-NE 3.93Å; E8-R11 PolarHBondContact OE2-NE 2.85Å; E8-R11 IonicContact OE2-NH2 3.3Å; E8-R11 PolarHBondContact OE2-NH2 3.44Å; E8-K12 WeakPolarHBondContact O-CB 3.24Å; E8-K12 WeakPolarHBondContact O-CG 3.41Å; E8-K12 PolarHBondContact O-N 3.4Å; E8-K12 WeakPolarHBondContact OE1-CE 3.16Å
9K79.3Confident69.3Low131 Ų131115.6 Ų115.657%0.5757%0.574SS**Hα-helixtrans-63.9-44.6175.1-168.7175.4-178.8179.20111.5A5 L6 K12 Q13A5-K9 WeakPolarHBondContact O-CB 3.33Å; A5-K9 PolarHBondContact O-N 2.7Å; L6-K9 PolarHBondContact O-N 3.18Å; K9-K12 PolarHBondContact O-N 3.43Å; K9-Q13 WeakPolarHBondContact O-CB 3.26Å; K9-Q13 PolarHBondContact O-N 3.34Å
10L77.8Confident68.2Low96 Ų96117.6 Ų117.650%0.50358%0.581SS.*Hα-helixtrans-67.4-34.9174.7-69.7174.3000112L6 G14L6-L10 HydrophobicContact CG-CD1 4.24Å; L6-L10 WeakPolarHBondContact O-CB 3.44Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.47Å; L10-G14 WeakPolarHBondContact O-CA 3.13Å; L10-G14 PolarHBondContact O-N 3.09Å
11R75.1Confident67.1Low100 Ų100116.7 Ų116.738%0.37759%0.592SS.*Hα-helixtrans-65.2-43.5173.6-171.2-170.37496.46.5111.4K7 E8 G14 R15K7-R11 VanDerWaalsContact O-CB 3.26Å; K7-R11 WeakPolarHBondContact O-CB 3.27Å; K7-R11 PolarHBondContact O-N 3.06Å; E8-R11 PolarHBondContact O-N 2.94Å; E8-R11 IonicContact OE1-CZ 3.24Å; E8-R11 IonicContact OE1-NE 2.77Å; E8-R11 PolarHBondContact OE1-NE 3.47Å; E8-R11 IonicContact OE1-NH2 3.96Å; E8-R11 PolarHBondContact OE1-NH2 2.94Å; E8-R11 IonicContact OE2-CZ 3.85Å; E8-R11 IonicContact OE2-NE 3.93Å; E8-R11 PolarHBondContact OE2-NE 2.85Å; E8-R11 IonicContact OE2-NH2 3.3Å; E8-R11 PolarHBondContact OE2-NH2 3.44Å; R11-G14 PolarHBondContact O-N 3.22Å; R11-R15 VanDerWaalsContact O-CB 3.27Å; R11-R15 WeakPolarHBondContact O-CB 3.23Å; R11-R15 WeakPolarHBondContact O-CG 3.49Å; R11-R15 PolarHBondContact O-N 2.9Å
12K76.8Confident66.4Low133 Ų133112.6 Ų112.658%0.57857%0.568SS**Hα-helixtrans-65.5-45.1176-74.4-178.5-179.8-178.10111.5E8 K9E8-K12 WeakPolarHBondContact O-CB 3.24Å; E8-K12 WeakPolarHBondContact O-CG 3.41Å; E8-K12 PolarHBondContact O-N 3.4Å; E8-K12 WeakPolarHBondContact OE1-CE 3.16Å; K9-K12 PolarHBondContact O-N 3.43Å
13Q69.7Low65.3Low115 Ų115109.5 Ų109.554%0.53757%0.571SS.*Hα-helixtrans-70.8-28.2175.7-75.8-170.8-27.700113.1K9 T16 Y17K9-Q13 WeakPolarHBondContact O-CB 3.26Å; K9-Q13 PolarHBondContact O-N 3.34Å; Q13-T16 PolarHBondContact O-OG1 3.42Å; Q13-Y17 WeakPolarHBondContact O-CD2 3.41Å
14G60.9Low63.7Low31 Ų31114 Ų11432%0.3259%0.591SS.*Hα-helixtrans-81.9-31.9177.800000113.1L10 R11 T16 Y17 Y18L10-G14 WeakPolarHBondContact O-CA 3.13Å; L10-G14 PolarHBondContact O-N 3.09Å; R11-G14 PolarHBondContact O-N 3.22Å; G14-T16 VanDerWaalsContact C-N 3.29Å; G14-T16 PolarHBondContact O-N 2.68Å; G14-Y17 PolarHBondContact O-N 3.03Å; G14-Y18 PolarHBondContact O-N 3.48Å
15R54.6Low61.8Low158 Ų158118.5 Ų118.560%0.59660%0.601SS**Hα-helixtrans-67.6-25.7175.5-84.7-175.1175.9-157.30.4113.3R11 Y17 Y18 S19R11-R15 VanDerWaalsContact O-CB 3.27Å; R11-R15 WeakPolarHBondContact O-CB 3.23Å; R11-R15 WeakPolarHBondContact O-CG 3.49Å; R11-R15 PolarHBondContact O-N 2.9Å; R15-Y17 PolarHBondContact O-N 2.75Å; R15-Y18 CarbonylContact O-C 3.51Å; R15-S19 WeakPolarHBondContact O-CB 3.26Å; R15-S19 PolarHBondContact O-N 3.41Å
16T55.7Low59.6Low105 Ų105118.3 Ų118.364%0.64461%0.607SS**THydrogen-bonded Turntrans-72.2-16.6170.153.10000112.7Q13 G14Q13-T16 PolarHBondContact O-OG1 3.42Å; G14-T16 VanDerWaalsContact C-N 3.29Å; G14-T16 PolarHBondContact O-N 2.68Å
17Y54.8Low58.1Low122 Ų122120.6 Ų120.648%0.47863%0.629SS.*THydrogen-bonded Turntrans-97.9-23176.4-75.1-101.8000113.3Q13 G14 R15Q13-Y17 WeakPolarHBondContact O-CD2 3.41Å; G14-Y17 PolarHBondContact O-N 3.03Å; R15-Y17 PolarHBondContact O-N 2.75Å
18Y49.5Very low56.4Low166 Ų166123.7 Ų123.765%0.65164%0.644SS**  trans-133.764.7178.2-64.8-84.8000111.1G14 R15G14-Y18 PolarHBondContact O-N 3.48Å; R15-Y18 CarbonylContact O-C 3.51Å
19S47.5Very low54.6Low106 Ų106125.8 Ų125.874%0.74167%0.666SS**  trans-97.5116.6165.8172.70000108.6R15R15-S19 WeakPolarHBondContact O-CB 3.26Å; R15-S19 PolarHBondContact O-N 3.41Å
20H47.2Very low53.2Low154 Ų154126 Ų12671%0.71368%0.678SS**  trans-48.3127.5-174.8-92.8-79.1000114.7K22H20-K22 HydrophobicContact CB-CG 4.37Å; H20-K22 PolarHBondContact O-N 2.82Å
21A44.2Very low51.5Low99 Ų99126.4 Ų126.482%0.81869%0.689SS**  trans-63.2110.2140.600000108.3
22K50.6Low50Low160 Ų160126.5 Ų126.570%0.69671%0.712SS**  trans-143.389.6156.2-74.9-167.6179.1-173.90104.6H20H20-K22 HydrophobicContact CB-CG 4.37Å; H20-K22 PolarHBondContact O-N 2.82Å
23S47.2Very low48.6Very low108 Ų108125.5 Ų125.576%0.75572%0.721SS**  66.790.3102.568.20000111.4H25S23-H25 PolarHBondContact O-N 2.88Å; S23-H25 VanDerWaalsContact O-N 3.14Å
24D45.7Very low47.1Very low159 Ų159125.5 Ų125.585%0.8573%0.732SS**SBendtrans-57.5106.2157.2-73-46000108.6
25H43.7Very low46.8Very low204 Ų204133.4 Ų133.494%0.94476%0.757SS**  trans-175.9100.5150.3-88-43.1000107.3S23S23-H25 PolarHBondContact O-N 2.88Å; S23-H25 VanDerWaalsContact O-N 3.14Å
26G37.4Very low46.3Very low70 Ų70134.7 Ų134.772%0.72277%0.77SS**  trans-172.881.9-178.600000113.2
27S43.9Very low45.9Very low117 Ų117136 Ų13682%0.81878%0.778SS**  trans73.586.8144.8-51.20000118.6S29S27-S29 PolarHBondContact O-N 3.39Å
28H41.9Very low45.7Very low196 Ų196135.4 Ų135.491%0.90779%0.786SS**  trans-63.6111.1141.9-89.1-80.8000108.7
29S43.7Very low45.7Very low111 Ų111133.6 Ų133.678%0.77679%0.788SS**  trans-141.297.1162.2-176.70000106.6S27S27-S29 PolarHBondContact O-N 3.39Å
30V48.5Very low46Very low135 Ų135135.6 Ų135.682%0.81879%0.786SS**  trans-105.2108.3169.4-177.80000106A32V30-A32 PolarHBondContact O-N 3.31Å
31S43.5Very low46.3Very low105 Ų105136.3 Ų136.373%0.73479%0.789SS**PPolyproline II helixtrans-66119171.955.90000109.8
32A43.9Very low46.2Very low102 Ų102139.9 Ų139.984%0.84379%0.788SS**PPolyproline II helixtrans-80.3122.9164.500000109.1V30V30-A32 PolarHBondContact O-N 3.31Å
33S46.3Very low45.7Very low112 Ų112138.4 Ų138.478%0.78380%0.796SS**PPolyproline II helixtrans-88140.9176.2-162.70000110
34P39.4Very low45.4Very low116 Ų116138.7 Ų138.775%0.75379%0.794SS**PPolyproline II helixtrans-95.2129.3-174.435.1-28.7000111.8
35K52.9Low45.3Very low196 Ų196136 Ų13685%0.85279%0.787SS**  trans-15299.8156.3-67.8-166.8177.4-176.90106.3
36E44.3Very low45.5Very low186 Ų186133 Ų13387%0.86978%0.778SS**  63.5112.284.1-158.9173.5-138.400111.1
37V48.7Very low46Very low133 Ų133136.3 Ų136.381%0.80678%0.779SS**  trans160.799150.7160.20000110
38T50.5Low46.2Very low108 Ų108136 Ų13666%0.66378%0.778SS**  85.2107.7124.4-40.80000121.4
39D48.7Very low46.5Very low129 Ų129131.9 Ų131.969%0.6977%0.768SS**  trans69.6121.6133.4-59.2-17.9000124.7
40H54.7Low46.8Very low148 Ų148134 Ų13469%0.68577%0.769SS**  66.8107127.1-74.8-18.7000120.7
41H52.4Low47Very low169 Ų169134.9 Ų134.978%0.78277%0.768SS**  168.5144.390.2-91.2-59.7000112.2
42H41.5Very low47Very low174 Ų174134.4 Ų134.481%0.80677%0.77SS**  trans-50.4145.9170.1-89.6-66.4000114.1
43C40.5Very low47.1Very low128 Ų128133.9 Ų133.987%0.86577%0.766SS**  -175.6157.4106.5-1130000113.1
44T41.5Very low47.1Very low115 Ų115138.5 Ų138.571%0.70677%0.772SS**  trans-88.5143.5-157.748.20000115.4
45S44.1Very low47.4Very low101 Ų101138 Ų13871%0.70678%0.777SS**  trans57.7138.5133.2-64.40000123.2
46N47.9Very low47.3Very low141 Ų141133.9 Ų133.975%0.75477%0.773SS**  trans77.1123.3156.4-641.8000114.6
47D46.4Very low47.4Very low140 Ų140132.9 Ų132.975%0.74977%0.774SS**  cis-157.3134.948.8-91.9-46.9000114.7
48S48.1Very low47.5Very low112 Ų112132.1 Ų132.178%0.78377%0.774SS**  trans75.7151.3134.7-73.90000123.4
49P49.9Very low47.8Very low109 Ų109137 Ų13771%0.70879%0.786SS**  trans-114.6-172.3-131.342-32.2000113.8
50I48.8Very low47.9Very low156 Ų156142 Ų14280%0.880%0.796SS**  trans166.1130.6142.6-82.1151.8000112
51I52.2Low47.7Very low153 Ų153141.8 Ų141.879%0.78580%0.799SS**  trans98.492162.3-40.2-162.5000121.5
52A43.8Very low47.7Very low94 Ų94141.3 Ų141.378%0.77780%0.801SS**  72.5112.9118.500000123.1
53A47.1Very low48.1Very low92 Ų92138.9 Ų138.976%0.7680%0.798SS**  trans-53.2147.4160.100000117
54K45.7Very low48.5Very low209 Ų209140.8 Ų140.891%0.90980%0.795SS**  153.5106.6118.3-88.9178.5174.9176.50111.2
55A45.9Very low48.7Very low104 Ų104142.4 Ų142.486%0.8680%0.799SS**  trans-153.579.5156.700000109.3
56S49.9Very low49.1Very low110 Ų110143 Ų14377%0.76980%0.799SS**  trans-123.9141.5160.6-79.80000107.1
57N47.8Very low49.1Very low165 Ų165144.2 Ų144.288%0.88280%0.8SS**  trans99.276.2173.7-51.3-20.9000116.2
58S50.5Low49.1Very low118 Ų118144.7 Ų144.783%0.82580%0.802SS**  trans-161.578.1148-167.10000110.3
59K55.7Low49.1Very low209 Ų209146.8 Ų146.891%0.90980%0.804SS**SBendtrans-139.419.5178.7-118.5-178.1-176-177.10113.9
60R52.5Low48.9Very low235 Ų235147.3 Ų147.389%0.88781%0.805SS**SBendtrans-127.53.4-174.1-76.3-171.2178162.70117.6
61D48.9Very low48.7Very low143 Ų143148.8 Ų148.877%0.76581%0.809SS**SBendtrans-110.66.7-174.6-85.2-31.4000116.9
62I53.1Low48.6Very low159 Ų159144.5 Ų144.582%0.81579%0.791SS**SBendtrans-88.9-9.4-170.2-62.8175.3000113.7
63T49.5Very low48.9Very low123 Ų123147.7 Ų147.776%0.75579%0.788SS**SBendtrans-100.7-1.6-170.349.10000116.7
64Q50Low49.4Very low169 Ų169145.8 Ų145.879%0.7978%0.777SS**SBendtrans-99.5-2.3-175.8-76.1-174.7-2.800116.1
65N45.3Very low50.6Low148 Ų148138.1 Ų138.179%0.79175%0.75SS**SBendtrans-10219.2-171.3-106.32.1000116.2
66T51.7Low52.3Low115 Ų115135.7 Ų135.771%0.70672%0.724SS**SBendtrans-101.3-0.9-175.558.30000115.5
67E48.4Very low53.9Low166 Ų166133.9 Ų133.978%0.77670%0.703SS**SBendtrans-1001.4-170.9-69.4-17716100115.7
68N46.3Very low55.5Low149 Ų149132.1 Ų132.180%0.79769%0.69SS**SBendtrans-110.317.3-177.6-71.3-41.5000115.2T70N68-T70 PolarHBondContact O-N 3.43Å
69L47.1Very low57.2Low156 Ų156132.5 Ų132.582%0.81768%0.677SS**  trans-96.529.1-175.1-129.985.9000114.7
70T47Very low58.8Low121 Ų121128.4 Ų128.474%0.74266%0.656SS**  trans-111.126.2-170.6-30.40000113.8N68N68-T70 PolarHBondContact O-N 3.43Å
71Q44Very low60.5Low187 Ų187120.1 Ų120.187%0.87463%0.629SS**  trans-146.877.8177.1-73.2-95.5-19.400111.3
72P50.6Low62.5Low62 Ų62117.9 Ų117.940%0.40362%0.616SS.*  trans-151.938.8150.139-19.6000116.1
73F50.1Low64.3Low162 Ų162114.6 Ų114.671%0.71160%0.599SS**Hα-helixtrans-86-3.5-177.1-70.7-73.9000116.1
74G58.3Low66.3Low52 Ų52113.9 Ų113.954%0.53658%0.583SS.*Hα-helixtrans-82.4-24.8169.600000114.3Q78G74-Q78 WeakPolarHBondContact O-CG 3.39Å; G74-Q78 PolarHBondContact O-NE2 2.71Å; G74-Q78 PolarHBondContact O-OE1 2.89Å
75S70.6Confident68.3Low48 Ų48114.6 Ų114.634%0.33658%0.578SS.*Hα-helixtrans-97-37.2-175.8-171.70000113.1K79S75-K79 VanDerWaalsContact O-CB 3.26Å; S75-K79 WeakPolarHBondContact O-CB 3.39Å; S75-K79 WeakPolarHBondContact O-CD 3.27Å; S75-K79 WeakPolarHBondContact O-CG 3.15Å; S75-K79 PolarHBondContact O-N 3Å; S75-K79 VanDerWaalsContact OG-CE 3.23Å; S75-K79 WeakPolarHBondContact OG-CE 3.39Å; S75-K79 PolarHBondContact OG-NZ 3.2Å
76V80.8Confident70.5Confident53 Ų53112.5 Ų112.532%0.32157%0.566SS.*Hα-helixtrans-71.6-45.3-173.9178.60000111.7K79 R80V76-K79 PolarHBondContact O-N 2.86Å; V76-R80 HydrophobicContact CG1-CG 4.45Å; V76-R80 WeakPolarHBondContact O-CB 3.38Å; V76-R80 VanDerWaalsContact O-CG 3.27Å; V76-R80 WeakPolarHBondContact O-CG 3.47Å; V76-R80 PolarHBondContact O-N 2.7Å
77E83.4Confident72.3Confident71 Ų71114 Ų11433%0.33256%0.559SS.*Hα-helixtrans-67.7-41178.7-67.1-52.8138.700111.9K79 R80 D81E77-K79 PolarHBondContact O-N 3.41Å; E77-R80 WeakPolarHBondContact O-CB 3.25Å; E77-R80 PolarHBondContact O-N 2.92Å; E77-R80 VanDerWaalsContact O-N 3.16Å; E77-R80 IonicContact OE1-CZ 3.6Å; E77-R80 IonicContact OE1-NE 2.66Å; E77-R80 IonicContact OE1-NH1 2.7Å; E77-R80 PolarHBondContact OE1-NH1 2.83Å; E77-R80 IonicContact OE2-NH1 3.94Å; E77-D81 PolarHBondContact O-N 3.43Å
78Q81.8Confident74.3Confident129 Ų129110 Ų11060%0.60354%0.542SS*.Hα-helixtrans-59.7-44.9172.3-70.2179.4-1.800111.9G74 R80 D81 I82G74-Q78 WeakPolarHBondContact O-CG 3.39Å; G74-Q78 PolarHBondContact O-NE2 2.71Å; G74-Q78 PolarHBondContact O-OE1 2.89Å; Q78-R80 VanDerWaalsContact C-N 3.34Å; Q78-R80 PolarHBondContact O-N 3.23Å; Q78-D81 PolarHBondContact O-N 3.33Å; Q78-I82 VanDerWaalsContact O-CG1 3.24Å; Q78-I82 WeakPolarHBondContact O-CG1 3.43Å; Q78-I82 PolarHBondContact O-N 3.27Å
79K86.4Confident76.2Confident126 Ų126106.1 Ų106.155%0.54852%0.524SS..Hα-helixtrans-62.3-40.2174.7-77168.6177.1165.20111.8S75 V76 E77 I82 L83S75-K79 VanDerWaalsContact O-CB 3.26Å; S75-K79 WeakPolarHBondContact O-CB 3.39Å; S75-K79 WeakPolarHBondContact O-CD 3.27Å; S75-K79 WeakPolarHBondContact O-CG 3.15Å; S75-K79 PolarHBondContact O-N 3Å; S75-K79 VanDerWaalsContact OG-CE 3.23Å; S75-K79 WeakPolarHBondContact OG-CE 3.39Å; S75-K79 PolarHBondContact OG-NZ 3.2Å; V76-K79 PolarHBondContact O-N 2.86Å; E77-K79 PolarHBondContact O-N 3.41Å; K79-I82 PolarHBondContact O-N 3.2Å; K79-L83 WeakPolarHBondContact O-CB 3.43Å; K79-L83 VanDerWaalsContact O-CG 3.25Å; K79-L83 WeakPolarHBondContact O-CG 3.34Å; K79-L83 PolarHBondContact O-N 2.9Å
80R88.5Confident78.1Confident123 Ų123103.2 Ų103.246%0.46451%0.506SS..Hα-helixtrans-62.8-42.3175.3-76.8172.7176.5-179.8-1.9111.6V76 E77 Q78 L83 R84V76-R80 HydrophobicContact CG1-CG 4.45Å; V76-R80 WeakPolarHBondContact O-CB 3.38Å; V76-R80 VanDerWaalsContact O-CG 3.27Å; V76-R80 WeakPolarHBondContact O-CG 3.47Å; V76-R80 PolarHBondContact O-N 2.7Å; E77-R80 WeakPolarHBondContact O-CB 3.25Å; E77-R80 PolarHBondContact O-N 2.92Å; E77-R80 VanDerWaalsContact O-N 3.16Å; E77-R80 IonicContact OE1-CZ 3.6Å; E77-R80 IonicContact OE1-NE 2.66Å; E77-R80 IonicContact OE1-NH1 2.7Å; E77-R80 PolarHBondContact OE1-NH1 2.83Å; E77-R80 IonicContact OE2-NH1 3.94Å; Q78-R80 VanDerWaalsContact C-N 3.34Å; Q78-R80 PolarHBondContact O-N 3.23Å; R80-L83 PolarHBondContact O-N 3.29Å; R80-R84 WeakPolarHBondContact O-CB 3.42Å; R80-R84 PolarHBondContact O-N 3.41Å
81D89.7Confident79.9Confident61 Ų61103.9 Ų103.933%0.32650%0.495SS..Hα-helixtrans-67.2-41.3177-77.4-20.8000112E77 Q78 R84 R85E77-D81 PolarHBondContact O-N 3.43Å; Q78-D81 PolarHBondContact O-N 3.33Å; D81-R84 WeakPolarHBondContact O-CB 3.44Å; D81-R84 PolarHBondContact O-N 3.42Å; D81-R84 IonicContact OD1-CZ 2.75Å; D81-R84 IonicContact OD1-NH1 3.41Å; D81-R84 PolarHBondContact OD1-NH1 2.99Å; D81-R84 IonicContact OD1-NH2 3.45Å; D81-R84 PolarHBondContact OD1-NH2 3.19Å; D81-R85 WeakPolarHBondContact O-CG 3.39Å; D81-R85 PolarHBondContact O-N 2.88Å
82I89.5Confident81.7Confident95 Ų95100.7 Ų100.749%0.48748%0.476SS..Hα-helixtrans-60.5-49.3173.1-68.3164.1000109.9Q78 K79 R84 R85 L86Q78-I82 VanDerWaalsContact O-CG1 3.24Å; Q78-I82 WeakPolarHBondContact O-CG1 3.43Å; Q78-I82 PolarHBondContact O-N 3.27Å; K79-I82 PolarHBondContact O-N 3.2Å; I82-R84 VanDerWaalsContact C-N 3.27Å; I82-R84 PolarHBondContact O-N 2.89Å; I82-R85 PolarHBondContact O-N 3.46Å; I82-L86 HydrophobicContact CG2-CD1 3.9Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CB 3.27Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.95Å
83L91.5Very high83.1Confident90 Ų90106.9 Ų106.947%0.47149%0.491SS..Hα-helixtrans-60.3-37.2176.4-72.7172.5000111.9K79 R80 L86 R87K79-L83 WeakPolarHBondContact O-CB 3.43Å; K79-L83 VanDerWaalsContact O-CG 3.25Å; K79-L83 WeakPolarHBondContact O-CG 3.34Å; K79-L83 PolarHBondContact O-N 2.9Å; R80-L83 PolarHBondContact O-N 3.29Å; L83-L86 PolarHBondContact O-N 3.48Å; L83-R87 WeakPolarHBondContact O-CB 3.49Å; L83-R87 VanDerWaalsContact O-CG 3.27Å; L83-R87 WeakPolarHBondContact O-CG 3.47Å; L83-R87 PolarHBondContact O-N 2.86Å
84R91.8Very high84.4Confident108 Ų108106.3 Ų106.341%0.40849%0.488SS..Hα-helixtrans-62.2-48.5174.8-169.9-170.4-61.3133.99.2110.8R80 D81 I82 R87 I88R80-R84 WeakPolarHBondContact O-CB 3.42Å; R80-R84 PolarHBondContact O-N 3.41Å; D81-R84 WeakPolarHBondContact O-CB 3.44Å; D81-R84 PolarHBondContact O-N 3.42Å; D81-R84 IonicContact OD1-CZ 2.75Å; D81-R84 IonicContact OD1-NH1 3.41Å; D81-R84 PolarHBondContact OD1-NH1 2.99Å; D81-R84 IonicContact OD1-NH2 3.45Å; D81-R84 PolarHBondContact OD1-NH2 3.19Å; I82-R84 VanDerWaalsContact C-N 3.27Å; I82-R84 PolarHBondContact O-N 2.89Å; R84-R87 PolarHBondContact O-N 3.3Å; R84-I88 HydrophobicContact CG-CD1 4.42Å; R84-I88 WeakPolarHBondContact O-CG1 3.45Å; R84-I88 PolarHBondContact O-N 2.9Å; R84-I88 VanDerWaalsContact O-N 3.12Å
85R91.5Very high85.2Confident185 Ų185108.6 Ų108.670%0.69849%0.485SS*.Hα-helixtrans-61.3-44.8176.9-69.1175.9-173.7-167.12111.5D81 I82 R87 I88 V89D81-R85 WeakPolarHBondContact O-CG 3.39Å; D81-R85 PolarHBondContact O-N 2.88Å; I82-R85 PolarHBondContact O-N 3.46Å; R85-R87 PolarHBondContact O-N 3.18Å; R85-I88 WeakPolarHBondContact O-CB 3.41Å; R85-I88 PolarHBondContact O-N 3.12Å; R85-V89 WeakPolarHBondContact O-CG2 3.35Å; R85-V89 PolarHBondContact O-N 3.38Å
86L91.2Very high85.5Confident103 Ų103112.2 Ų112.254%0.53950%0.497SS..Hα-helixtrans-61.8-42.3178-71175.1000112.2I82 L83 I88 V89 E90I82-L86 HydrophobicContact CG2-CD1 3.9Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CB 3.27Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.95Å; L83-L86 PolarHBondContact O-N 3.48Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 PolarHBondContact O-N 2.66Å; L86-V89 PolarHBondContact O-N 3.01Å; L86-E90 WeakPolarHBondContact O-CB 3.46Å; L86-E90 PolarHBondContact O-N 3.43Å
87R90.5Very high85.2Confident147 Ų147110.5 Ų110.556%0.55549%0.488SS*.Hα-helixtrans-63.4-35.9175.3-74.1175.2-172.5175.33.2112.8L83 R84 R85 R91L83-R87 WeakPolarHBondContact O-CB 3.49Å; L83-R87 VanDerWaalsContact O-CG 3.27Å; L83-R87 WeakPolarHBondContact O-CG 3.47Å; L83-R87 PolarHBondContact O-N 2.86Å; R84-R87 PolarHBondContact O-N 3.3Å; R85-R87 PolarHBondContact O-N 3.18Å; R87-R91 WeakPolarHBondContact O-CB 3.14Å; R87-R91 PolarHBondContact O-N 2.82Å
88I89.3Confident84.8Confident81 Ų81111.9 Ų111.942%0.41550%0.497SS..Hα-helixtrans-64.4-48.7174.7-69.4166.9000109.7R84 R85 L86 E90 R91 Y92R84-I88 HydrophobicContact CG-CD1 4.42Å; R84-I88 WeakPolarHBondContact O-CG1 3.45Å; R84-I88 PolarHBondContact O-N 2.9Å; R84-I88 VanDerWaalsContact O-N 3.12Å; R85-I88 WeakPolarHBondContact O-CB 3.41Å; R85-I88 PolarHBondContact O-N 3.12Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 PolarHBondContact O-N 2.66Å; I88-E90 PolarHBondContact O-N 3.47Å; I88-R91 PolarHBondContact O-N 3.27Å; I88-Y92 HydrophobicContact CG2-CD2 3.58Å; I88-Y92 HydrophobicContact CG2-CE2 3.33Å; I88-Y92 WeakPolarHBondContact O-CD2 3.23Å; I88-Y92 PolarHBondContact O-N 3.27Å
89V86.6Confident84.6Confident68 Ų68110.7 Ų110.741%0.41250%0.495SS..Hα-helixtrans-60.6-44.5177173.90000111.4R85 L86 R91 Y92 R93R85-V89 WeakPolarHBondContact O-CG2 3.35Å; R85-V89 PolarHBondContact O-N 3.38Å; L86-V89 PolarHBondContact O-N 3.01Å; V89-R91 VanDerWaalsContact C-N 3.32Å; V89-R91 PolarHBondContact O-N 3.01Å; V89-Y92 PolarHBondContact O-N 2.99Å; V89-R93 HydrophobicContact CG1-CG 4.47Å; V89-R93 WeakPolarHBondContact O-CG 3.46Å; V89-R93 PolarHBondContact O-N 2.94Å
90E86.5Confident84.4Confident95 Ų95110.8 Ų110.844%0.44450%0.495SS..Hα-helixtrans-60.7-41.6177.8-169.8-171.9170.100111.7L86 I88 R93 K94L86-E90 WeakPolarHBondContact O-CB 3.46Å; L86-E90 PolarHBondContact O-N 3.43Å; I88-E90 PolarHBondContact O-N 3.47Å; E90-R93 PolarHBondContact O-N 3.4Å; E90-K94 HydrophobicContact CG-CD 4.4Å; E90-K94 WeakPolarHBondContact O-CG 3.36Å; E90-K94 PolarHBondContact O-N 3.36Å; E90-K94 WeakPolarHBondContact OE1-CE 3.37Å; E90-K94 IonicContact OE1-NZ 2.68Å; E90-K94 PolarHBondContact OE1-NZ 3.29Å
91R84.6Confident84.1Confident136 Ų136108.7 Ų108.751%0.51350%0.495SS..Hα-helixtrans-61.3-50.8174.6-175.4-172.1-60.9-167.20.2111.5R87 I88 V89 R93 K94 E95R87-R91 WeakPolarHBondContact O-CB 3.14Å; R87-R91 PolarHBondContact O-N 2.82Å; I88-R91 PolarHBondContact O-N 3.27Å; V89-R91 VanDerWaalsContact C-N 3.32Å; V89-R91 PolarHBondContact O-N 3.01Å; R91-R93 PolarHBondContact O-N 3.43Å; R91-K94 PolarHBondContact O-N 3.3Å; R91-K94 VanDerWaalsContact O-N 3.13Å; R91-E95 WeakPolarHBondContact CD-OE1 3.38Å; R91-E95 HydrophobicContact CG-CG 4.43Å; R91-E95 VanDerWaalsContact CG-OE1 3.23Å; R91-E95 WeakPolarHBondContact CG-OE1 3.18Å; R91-E95 PolarHBondContact O-N 3.13Å
92Y82.1Confident83.8Confident120 Ų120111.6 Ų111.647%0.47151%0.507SS..Hα-helixtrans-61.9-32.7-179.9-76.6-59.4000112.6I88 V89 A97I88-Y92 HydrophobicContact CG2-CD2 3.58Å; I88-Y92 HydrophobicContact CG2-CE2 3.33Å; I88-Y92 WeakPolarHBondContact O-CD2 3.23Å; I88-Y92 PolarHBondContact O-N 3.27Å; V89-Y92 PolarHBondContact O-N 2.99Å; Y92-A97 HydrophobicContact CD1-CB 4.04Å; Y92-A97 PolarHBondContact O-N 3.48Å
93R80.1Confident83.6Confident191 Ų191112.5 Ų112.572%0.72151%0.509SS*.Hα-helixtrans-67.7-46.9171.7-73.8179.7177.7-169.6-1.2112.3V89 E90 R91 E95 E96V89-R93 HydrophobicContact CG1-CG 4.47Å; V89-R93 WeakPolarHBondContact O-CG 3.46Å; V89-R93 PolarHBondContact O-N 2.94Å; E90-R93 PolarHBondContact O-N 3.4Å; R91-R93 PolarHBondContact O-N 3.43Å; R93-E95 PolarHBondContact O-N 2.94Å; R93-E96 PolarHBondContact O-N 2.95Å
94K77.6Confident83.5Confident151 Ų151112 Ų11266%0.65751%0.506SS*.Hα-helixtrans-64.5-37.2-179.2-77179.2-177.3172.30113.5E90 R91 E96E90-K94 HydrophobicContact CG-CD 4.4Å; E90-K94 WeakPolarHBondContact O-CG 3.36Å; E90-K94 PolarHBondContact O-N 3.36Å; E90-K94 WeakPolarHBondContact OE1-CE 3.37Å; E90-K94 IonicContact OE1-NZ 2.68Å; E90-K94 PolarHBondContact OE1-NZ 3.29Å; R91-K94 PolarHBondContact O-N 3.3Å; R91-K94 VanDerWaalsContact O-N 3.13Å; K94-E96 PolarHBondContact O-N 3.02Å
95E76Confident83.3Confident100 Ų100111.3 Ų111.347%0.46751%0.51SS..THydrogen-bonded Turntrans-79.2-5.4-178.3-71.4175-16800113.2R91 R93 A97 K100R91-E95 WeakPolarHBondContact CD-OE1 3.38Å; R91-E95 HydrophobicContact CG-CG 4.43Å; R91-E95 VanDerWaalsContact CG-OE1 3.23Å; R91-E95 WeakPolarHBondContact CG-OE1 3.18Å; R91-E95 PolarHBondContact O-N 3.13Å; R93-E95 PolarHBondContact O-N 2.94Å; E95-A97 HydrophobicContact CB-CB 3.98Å; E95-A97 PolarHBondContact O-N 3.3Å; E95-K100 PolarHBondContact O-NZ 3.39Å
96E77Confident83.1Confident123 Ų123105.3 Ų105.358%0.57550%0.495SS*.THydrogen-bonded Turntrans46.531.5-166.9-66.7178175.700111.1R93 K94 L98 L99 K100R93-E96 PolarHBondContact O-N 2.95Å; K94-E96 PolarHBondContact O-N 3.02Å; E96-L98 PolarHBondContact O-N 3.21Å; E96-L99 HydrophobicContact CB-CD1 4.25Å; E96-L99 HydrophobicContact CG-CD1 4.38Å; E96-L99 PolarHBondContact O-N 3.3Å; E96-L99 VanDerWaalsContact O-N 3.17Å; E96-K100 PolarHBondContact O-N 2.94Å
97A74.3Confident83Confident17 Ų17105.5 Ų105.514%0.1449%0.491CS..Hα-helixtrans-66.8-31.4-170.400000110.9Y92 E95 K100 V101Y92-A97 HydrophobicContact CD1-CB 4.04Å; Y92-A97 PolarHBondContact O-N 3.48Å; E95-A97 HydrophobicContact CB-CB 3.98Å; E95-A97 PolarHBondContact O-N 3.3Å; A97-K100 PolarHBondContact O-N 3.33Å; A97-V101 VanDerWaalsContact O-CG2 3.32Å; A97-V101 WeakPolarHBondContact O-CG2 3.32Å; A97-V101 PolarHBondContact O-N 3.17Å
98L73.8Confident83.1Confident100 Ų100106.4 Ų106.452%0.52450%0.495SS..Hα-helixtrans-63.2-44.2175.1-64.1179.1000111.5E96 K100 V101 E102E96-L98 PolarHBondContact O-N 3.21Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.42Å; L98-V101 PolarHBondContact O-N 3.24Å; L98-V101 VanDerWaalsContact O-N 3.17Å; L98-E102 WeakPolarHBondContact O-CB 3.32Å; L98-E102 WeakPolarHBondContact O-CG 3.21Å; L98-E102 PolarHBondContact O-N 2.96Å
99L78.2Confident83.1Confident105 Ų105103.7 Ų103.755%0.5548%0.481SS..Hα-helixtrans-62.7-38176.6-64177.9000111.8E96 H103E96-L99 HydrophobicContact CB-CD1 4.25Å; E96-L99 HydrophobicContact CG-CD1 4.38Å; E96-L99 PolarHBondContact O-N 3.3Å; E96-L99 VanDerWaalsContact O-N 3.17Å; L99-H103 WeakPolarHBondContact O-CB 3.46Å; L99-H103 PolarHBondContact O-N 3.03Å
100K81.4Confident83.2Confident128 Ų128104.4 Ų104.456%0.55748%0.483SS*.Hα-helixtrans-65.2-43.1175.2-68.9169.9-177.4151.70111.6E95 E96 A97 L98 H103 L104E95-K100 PolarHBondContact O-NZ 3.39Å; E96-K100 PolarHBondContact O-N 2.94Å; A97-K100 PolarHBondContact O-N 3.33Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.42Å; K100-H103 PolarHBondContact O-N 3.4Å; K100-L104 WeakPolarHBondContact O-CB 3.42Å; K100-L104 WeakPolarHBondContact O-CG 3.4Å; K100-L104 PolarHBondContact O-N 3.16Å
101V83.1Confident83.4Confident78 Ų78103.5 Ų103.547%0.47348%0.483SS..Hα-helixtrans-66.5-46.3177.61720000110.4A97 L98 H103 L104 I105A97-V101 VanDerWaalsContact O-CG2 3.32Å; A97-V101 WeakPolarHBondContact O-CG2 3.32Å; A97-V101 PolarHBondContact O-N 3.17Å; L98-V101 PolarHBondContact O-N 3.24Å; L98-V101 VanDerWaalsContact O-N 3.17Å; V101-H103 PolarHBondContact O-N 3.1Å; V101-L104 WeakPolarHBondContact O-CA 3.35Å; V101-L104 PolarHBondContact O-N 3.18Å; V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 HydrophobicContact CG1-CG1 4.26Å; V101-I105 VanDerWaalsContact O-CG1 3.32Å; V101-I105 WeakPolarHBondContact O-CG1 3.49Å; V101-I105 PolarHBondContact O-N 2.88Å
102E84.1Confident83.6Confident123 Ų123100 Ų10058%0.57548%0.479SS*.Hα-helixtrans-56.8-36.6175.8-75.7173.5-173.900112.3L98 P106L98-E102 WeakPolarHBondContact O-CB 3.32Å; L98-E102 WeakPolarHBondContact O-CG 3.21Å; L98-E102 PolarHBondContact O-N 2.96Å; E102-P106 WeakPolarHBondContact O-CD 3.38Å
103H84.7Confident83.9Confident113 Ų11395.1 Ų95.152%0.52346%0.461SS..Hα-helixtrans-77.3-25.4174.7-172.866.5000113.9L99 K100 V101 K107L99-H103 WeakPolarHBondContact O-CB 3.46Å; L99-H103 PolarHBondContact O-N 3.03Å; K100-H103 PolarHBondContact O-N 3.4Å; V101-H103 PolarHBondContact O-N 3.1Å; H103-K107 PolarHBondContact CD2-NZ 3.26Å; H103-K107 WeakPolarHBondContact NE2-CE 3.43Å; H103-K107 PolarHBondContact NE2-NZ 2.82Å
104L88.4Confident84.3Confident80 Ų8090 Ų9042%0.41945%0.448SS..Hα-helixtrans-80.4-33177-75.1170.7000112.2K100 V101 K107 W108K100-L104 WeakPolarHBondContact O-CB 3.42Å; K100-L104 WeakPolarHBondContact O-CG 3.4Å; K100-L104 PolarHBondContact O-N 3.16Å; V101-L104 WeakPolarHBondContact O-CA 3.35Å; V101-L104 PolarHBondContact O-N 3.18Å; L104-K107 WeakPolarHBondContact O-CB 3.49Å; L104-K107 PolarHBondContact O-N 3.17Å; L104-K107 VanDerWaalsContact O-N 3.17Å; L104-W108 PolarHBondContact O-N 3.02Å
105I87.5Confident84.9Confident94 Ų9486.5 Ų86.548%0.48244%0.439SS..Hα-helixtrans-50.4-56.1178-72.3166.5000112.1V101 K107 W108 L109V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 HydrophobicContact CG1-CG1 4.26Å; V101-I105 VanDerWaalsContact O-CG1 3.32Å; V101-I105 WeakPolarHBondContact O-CG1 3.49Å; V101-I105 PolarHBondContact O-N 2.88Å; I105-K107 VanDerWaalsContact C-N 3.29Å; I105-K107 PolarHBondContact O-N 3.36Å; I105-W108 PolarHBondContact O-N 3.33Å; I105-L109 VanDerWaalsContact O-CB 3.24Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 PolarHBondContact O-N 3.46Å
106P87.8Confident85.4Confident59 Ų5982.2 Ų82.238%0.38342%0.42SS..Hα-helixtrans-65.7-32.1-178.725.7-34.5000112.3E102 L109 N110E102-P106 WeakPolarHBondContact O-CD 3.38Å; P106-L109 PolarHBondContact O-N 3.12Å; P106-N110 WeakPolarHBondContact O-CB 3.08Å; P106-N110 PolarHBondContact O-N 3.48Å; P106-N110 PolarHBondContact O-ND2 3.21Å; P106-N110 PolarHBondContact O-OD1 3.33Å
107K89.3Confident85.9Confident106 Ų10680.9 Ų80.946%0.46141%0.414SS..Hα-helixtrans-64.5-47.8175.7-68-176.9-176.7176.30111.6H103 L104 I105 V111H103-K107 PolarHBondContact CD2-NZ 3.26Å; H103-K107 WeakPolarHBondContact NE2-CE 3.43Å; H103-K107 PolarHBondContact NE2-NZ 2.82Å; L104-K107 WeakPolarHBondContact O-CB 3.49Å; L104-K107 PolarHBondContact O-N 3.17Å; L104-K107 VanDerWaalsContact O-N 3.17Å; I105-K107 VanDerWaalsContact C-N 3.29Å; I105-K107 PolarHBondContact O-N 3.36Å; K107-V111 VanDerWaalsContact O-CG2 3.28Å; K107-V111 WeakPolarHBondContact O-CG2 3.44Å; K107-V111 PolarHBondContact O-N 2.86Å; K107-V111 VanDerWaalsContact O-N 3.11Å
108W92.2Very high86.6Confident167 Ų16788.3 Ų88.363%0.63344%0.438SS*.Hα-helixtrans-67.4-39.5177.8-77111.5000111.6L104 I105 V111 C112L104-W108 PolarHBondContact O-N 3.02Å; I105-W108 PolarHBondContact O-N 3.33Å; W108-V111 PolarHBondContact O-N 3.2Å; W108-C112 WeakPolarHBondContact O-CB 3.24Å; W108-C112 PolarHBondContact O-N 3.37Å; W108-C112 PolarHBondContact O-SG 2.88Å
109L90Very high87.2Confident24 Ų2486.7 Ų86.713%0.12643%0.432CS..Hα-helixtrans-59.8-50176-176.7134.1000111.1I105 P106 V111 C112 Q113 L143 Q145I105-L109 VanDerWaalsContact O-CB 3.24Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 PolarHBondContact O-N 3.46Å; P106-L109 PolarHBondContact O-N 3.12Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 3.28Å; L109-C112 PolarHBondContact O-N 2.93Å; L109-C112 VanDerWaalsContact O-N 3.15Å; L109-Q113 HydrophobicContact CD2-CG 4.43Å; L109-Q113 WeakPolarHBondContact O-CB 3.38Å; L109-Q113 VanDerWaalsContact O-CG 3.28Å; L109-Q113 WeakPolarHBondContact O-CG 3.08Å; L109-Q113 PolarHBondContact O-N 3.38Å; L109-L143 WeakPolarHBondContact CD1-O 3.5Å; L109-Q145 HydrophobicContact CD1-CG 4.01Å
110N87.9Confident87.6Confident83 Ų8383.8 Ų83.844%0.44441%0.414SS..Hα-helixtrans-58.3-44.7176.2-68.8-5000112P106 C112 Q113 D114P106-N110 WeakPolarHBondContact O-CB 3.08Å; P106-N110 PolarHBondContact O-N 3.48Å; P106-N110 PolarHBondContact O-ND2 3.21Å; P106-N110 PolarHBondContact O-OD1 3.33Å; N110-C112 VanDerWaalsContact C-N 3.34Å; N110-C112 PolarHBondContact O-N 3.17Å; N110-Q113 PolarHBondContact O-N 2.88Å; N110-D114 WeakPolarHBondContact O-CB 3.26Å; N110-D114 PolarHBondContact O-N 3.32Å
111V90.7Very high87.8Confident75 Ų7581.3 Ų81.346%0.45541%0.407SS..Hα-helixtrans-62.7-42.5177.3171.70000111.2K107 W108 L109 V115K107-V111 VanDerWaalsContact O-CG2 3.28Å; K107-V111 WeakPolarHBondContact O-CG2 3.44Å; K107-V111 PolarHBondContact O-N 2.86Å; K107-V111 VanDerWaalsContact O-N 3.11Å; W108-V111 PolarHBondContact O-N 3.2Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 3.28Å; V111-V115 HydrophobicContact CG1-CG2 4.32Å; V111-V115 WeakPolarHBondContact O-CB 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.18Å; V111-V115 PolarHBondContact O-N 3.15Å
112C89.1Confident88Confident64 Ų6484.7 Ų84.743%0.43242%0.422SS..Hα-helixtrans-64.3-43.1177.3-72.50000111.8W108 L109 N110 V115 A116W108-C112 WeakPolarHBondContact O-CB 3.24Å; W108-C112 PolarHBondContact O-N 3.37Å; W108-C112 PolarHBondContact O-SG 2.88Å; L109-C112 PolarHBondContact O-N 2.93Å; L109-C112 VanDerWaalsContact O-N 3.15Å; N110-C112 VanDerWaalsContact C-N 3.34Å; N110-C112 PolarHBondContact O-N 3.17Å; C112-V115 PolarHBondContact O-N 3.1Å; C112-A116 WeakPolarHBondContact O-CB 2.94Å; C112-A116 PolarHBondContact O-N 3.33Å
113Q88.5Confident88Confident17 Ų1781.4 Ų81.48%0.07941%0.408CS..Hα-helixtrans-62.2-48.3176.1-71.4176.3-16.100111.3L109 N110 V115 A116 Q117 I144 F153L109-Q113 HydrophobicContact CD2-CG 4.43Å; L109-Q113 WeakPolarHBondContact O-CB 3.38Å; L109-Q113 VanDerWaalsContact O-CG 3.28Å; L109-Q113 WeakPolarHBondContact O-CG 3.08Å; L109-Q113 PolarHBondContact O-N 3.38Å; N110-Q113 PolarHBondContact O-N 2.88Å; Q113-V115 PolarHBondContact O-N 3.04Å; Q113-A116 PolarHBondContact O-N 3.3Å; Q113-Q117 WeakPolarHBondContact O-CB 3.43Å; Q113-Q117 PolarHBondContact O-N 3.41Å; Q113-I144 HydrophobicContact CG-CG2 3.68Å; Q113-I144 PolarHBondContact NE2-O 3.44Å; Q113-F153 HydrophobicContact CB-CD1 4.24Å; Q113-F153 HydrophobicContact CB-CD2 3.97Å; Q113-F153 HydrophobicContact CB-CE1 4.11Å; Q113-F153 HydrophobicContact CB-CE2 3.8Å; Q113-F153 HydrophobicContact CB-CG 4.19Å; Q113-F153 HydrophobicContact CB-CZ 3.88Å; Q113-F153 HydrophobicContact CG-CD1 3.54Å; Q113-F153 HydrophobicContact CG-CD2 4.1Å; Q113-F153 HydrophobicContact CG-CE1 3.66Å; Q113-F153 HydrophobicContact CG-CE2 4.19Å; Q113-F153 HydrophobicContact CG-CG 3.79Å; Q113-F153 HydrophobicContact CG-CZ 3.98Å
114D89.2Confident87.8Confident84 Ų8481 Ų8145%0.44942%0.416SS..Hα-helixtrans-58.8-46.6177-80.4-14.6000111.6N110 R118N110-D114 WeakPolarHBondContact O-CB 3.26Å; N110-D114 PolarHBondContact O-N 3.32Å; D114-R118 WeakPolarHBondContact O-CB 3.28Å; D114-R118 WeakPolarHBondContact O-CG 3.44Å; D114-R118 PolarHBondContact O-N 3.44Å
115V89.8Confident87.2Confident77 Ų7785.8 Ų85.847%0.46744%0.436SS..Hα-helixtrans-65.6-44.7178.7170.60000110.3V111 C112 Q113 Q117 R118 V119V111-V115 HydrophobicContact CG1-CG2 4.32Å; V111-V115 WeakPolarHBondContact O-CB 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.18Å; V111-V115 PolarHBondContact O-N 3.15Å; C112-V115 PolarHBondContact O-N 3.1Å; Q113-V115 PolarHBondContact O-N 3.04Å; V115-Q117 PolarHBondContact O-N 3.32Å; V115-R118 PolarHBondContact O-N 2.84Å; V115-V119 HydrophobicContact CG1-CG2 4.22Å; V115-V119 VanDerWaalsContact O-CG2 3.26Å; V115-V119 WeakPolarHBondContact O-CG2 3.28Å; V115-V119 PolarHBondContact O-N 3.48Å
116A87.1Confident86.5Confident10 Ų1087.3 Ų87.38%0.08345%0.452CS..Hα-helixtrans-60.8-44.6178.500000111.8C112 Q113 R118 V119 W120 F133 F134C112-A116 WeakPolarHBondContact O-CB 2.94Å; C112-A116 PolarHBondContact O-N 3.33Å; Q113-A116 PolarHBondContact O-N 3.3Å; A116-R118 PolarHBondContact O-N 2.92Å; A116-V119 PolarHBondContact O-N 3.01Å; A116-W120 VanDerWaalsContact O-CB 3.28Å; A116-W120 WeakPolarHBondContact O-CB 3.33Å; A116-W120 PolarHBondContact O-N 3.11Å; A116-F133 HydrophobicContact CB-CE1 4.37Å; A116-F134 HydrophobicContact CB-CE1 3.44Å; A116-F134 VanDerWaalsContact CB-CE1 3.44Å; A116-F134 HydrophobicContact CB-CZ 3.49Å; A116-F134 VanDerWaalsContact CB-CZ 3.49Å
117Q86.4Confident85.8Confident94 Ų9489.2 Ų89.244%0.43945%0.451SS..Hα-helixtrans-64.6-39.9177.3-167.1178.514.100111.7Q113 V115 W120 N121Q113-Q117 WeakPolarHBondContact O-CB 3.43Å; Q113-Q117 PolarHBondContact O-N 3.41Å; V115-Q117 PolarHBondContact O-N 3.32Å; Q117-W120 PolarHBondContact O-N 3.28Å; Q117-N121 WeakPolarHBondContact O-CB 3.21Å; Q117-N121 VanDerWaalsContact O-CG 3.26Å; Q117-N121 PolarHBondContact O-N 3.33Å; Q117-N121 PolarHBondContact O-ND2 3.49Å; Q117-N121 VanDerWaalsContact O-ND2 3.1Å
118R88.5Confident85.3Confident173 Ų17385.7 Ų85.765%0.65344%0.439SS*.Hα-helixtrans-63.4-45.4174.5-74169.7-171.8-127.53.8111.9D114 V115 A116 N121 L122D114-R118 WeakPolarHBondContact O-CB 3.28Å; D114-R118 WeakPolarHBondContact O-CG 3.44Å; D114-R118 PolarHBondContact O-N 3.44Å; V115-R118 PolarHBondContact O-N 2.84Å; A116-R118 PolarHBondContact O-N 2.92Å; R118-N121 PolarHBondContact O-N 3.48Å; R118-L122 WeakPolarHBondContact O-CG 3.42Å; R118-L122 PolarHBondContact O-N 2.84Å
119V87.8Confident84.8Confident66 Ų6680.1 Ų80.140%0.443%0.426SS..Hα-helixtrans-64.2-44.4178.5174.20000110.2V115 A116 N121 L122 L123 F133V115-V119 HydrophobicContact CG1-CG2 4.22Å; V115-V119 VanDerWaalsContact O-CG2 3.26Å; V115-V119 WeakPolarHBondContact O-CG2 3.28Å; V115-V119 PolarHBondContact O-N 3.48Å; A116-V119 PolarHBondContact O-N 3.01Å; V119-N121 VanDerWaalsContact C-N 3.31Å; V119-N121 PolarHBondContact O-N 2.85Å; V119-L122 PolarHBondContact O-N 2.87Å; V119-L122 VanDerWaalsContact O-N 3.07Å; V119-L123 PolarHBondContact O-N 3.46Å; V119-F133 HydrophobicContact CB-CZ 4.06Å; V119-F133 HydrophobicContact CG1-CE2 4Å; V119-F133 HydrophobicContact CG1-CZ 3.56Å
120W85.7Confident84.4Confident44 Ų4479.4 Ų79.417%0.16742%0.422CS..Hα-helixtrans-60.6-39.2176.5-176.681000112.4A116 Q117 L122 L123 R127 P128 L130 F133A116-W120 VanDerWaalsContact O-CB 3.28Å; A116-W120 WeakPolarHBondContact O-CB 3.33Å; A116-W120 PolarHBondContact O-N 3.11Å; Q117-W120 PolarHBondContact O-N 3.28Å; W120-L122 PolarHBondContact O-N 3.26Å; W120-L123 WeakPolarHBondContact O-CB 3.48Å; W120-L123 PolarHBondContact O-N 3.47Å; W120-R127 HydrophobicContact CD2-CG 4.29Å; W120-R127 HydrophobicContact CH2-CG 4.41Å; W120-R127 HydrophobicContact CZ2-CG 3.71Å; W120-P128 PolarHBondContact NE1-O 2.8Å; W120-L130 HydrophobicContact CB-CD1 3.88Å; W120-L130 HydrophobicContact CD2-CD1 4.11Å; W120-L130 HydrophobicContact CG-CD1 3.65Å; W120-L130 HydrophobicContact CZ2-CB 4.49Å; W120-F133 HydrophobicContact CB-CD1 4.29Å; W120-F133 HydrophobicContact CB-CE1 4.36Å; W120-F133 AromaticContact CD1-CG 3.88Å
121N85.6Confident84.1Confident77 Ų7775.7 Ų75.741%0.41240%0.403SS..Hα-helixtrans-66.8-21.8175.4-79.4-35.3000114.4Q117 R118 V119 R127Q117-N121 WeakPolarHBondContact O-CB 3.21Å; Q117-N121 VanDerWaalsContact O-CG 3.26Å; Q117-N121 PolarHBondContact O-N 3.33Å; Q117-N121 PolarHBondContact O-ND2 3.49Å; Q117-N121 VanDerWaalsContact O-ND2 3.1Å; R118-N121 PolarHBondContact O-N 3.48Å; V119-N121 VanDerWaalsContact C-N 3.31Å; V119-N121 PolarHBondContact O-N 2.85Å; N121-R127 PolarHBondContact O-NH2 3.27Å; N121-R127 PolarHBondContact OD1-NH1 2.92Å
122L88.1Confident83.8Confident148 Ų14876.7 Ų76.778%0.77540%0.402SS*.THydrogen-bonded Turntrans-89-5.9178.2-69170.5000113.3R118 V119 W120R118-L122 WeakPolarHBondContact O-CG 3.42Å; R118-L122 PolarHBondContact O-N 2.84Å; V119-L122 PolarHBondContact O-N 2.87Å; V119-L122 VanDerWaalsContact O-N 3.07Å; W120-L122 PolarHBondContact O-N 3.26Å
123L82.9Confident83.6Confident55 Ų5574.3 Ų74.329%0.28839%0.385SS..SBendtrans-71136.9179.7-68.6171.5000111.4V119 W120 P128 F133V119-L123 PolarHBondContact O-N 3.46Å; W120-L123 WeakPolarHBondContact O-CB 3.48Å; W120-L123 PolarHBondContact O-N 3.47Å; L123-P128 HydrophobicContact CD1-CG 4.15Å; L123-F133 HydrophobicContact CD1-CD2 3.67Å; L123-F133 HydrophobicContact CD1-CE2 3.93Å; L123-F133 HydrophobicContact CD1-CG 4.49Å
124P81.3Confident83.5Confident105 Ų10573.6 Ų73.668%0.68238%0.381SS*.PPolyproline II helixtrans-68.3152.7174.130-34.3000111.2
125E75.2Confident83.3Confident180 Ų18075.9 Ų75.984%0.84138%0.384SS*.SBendtrans-69.1141.7176-68.4-177.4-179.200111.6
126P72.8Confident83.1Confident126 Ų12679.2 Ų79.282%0.81839%0.394SS*.SBendcis-79.6127.76.831.5-33.5000112.6
127R73.4Confident83.1Confident98 Ų9883.2 Ų83.237%0.3741%0.414SS..PPolyproline II helixtrans-75.4121.3-179.1-168.8-179-67.2-162.2-6.4109.3W120 N121W120-R127 HydrophobicContact CD2-CG 4.29Å; W120-R127 HydrophobicContact CH2-CG 4.41Å; W120-R127 HydrophobicContact CZ2-CG 3.71Å; N121-R127 PolarHBondContact O-NH2 3.27Å; N121-R127 PolarHBondContact OD1-NH1 2.92Å
128P78.2Confident83.1Confident32 Ų3287.2 Ų87.221%0.20843%0.432CS..PPolyproline II helixtrans-64.4154.8173.528.1-33.7000109.7W120 L123 E132 F133W120-P128 PolarHBondContact NE1-O 2.8Å; L123-P128 HydrophobicContact CD1-CG 4.15Å; P128-E132 HydrophobicContact CB-CB 4.02Å; P128-F133 HydrophobicContact CG-CB 4.43Å
129S81.7Confident82.9Confident51 Ų5181.2 Ų81.236%0.35741%0.414SS..PPolyproline II helixtrans-56148.6169.6163.10000109.5A131 E132 F133S129-A131 PolarHBondContact O-N 3.44Å; S129-A131 PolarHBondContact OG-N 3.46Å; S129-E132 PolarHBondContact N-OE2 3.37Å; S129-E132 WeakPolarHBondContact O-CA 3.42Å; S129-E132 WeakPolarHBondContact O-CB 3.48Å; S129-E132 PolarHBondContact O-N 3.15Å; S129-F133 PolarHBondContact O-N 2.87Å
130L82.1Confident82.7Confident9 Ų982.7 Ų82.75%0.04742%0.42CS..Hα-helixtrans-58.8-33-179.2-175.857.5000111.2W120 F133 F134 F146 F153W120-L130 HydrophobicContact CB-CD1 3.88Å; W120-L130 HydrophobicContact CD2-CD1 4.11Å; W120-L130 HydrophobicContact CG-CD1 3.65Å; W120-L130 HydrophobicContact CZ2-CB 4.49Å; L130-F133 HydrophobicContact CD1-CD1 4.03Å; L130-F133 WeakPolarHBondContact O-CB 3.1Å; L130-F133 PolarHBondContact O-N 2.88Å; L130-F134 HydrophobicContact CD1-CD2 4.26Å; L130-F134 HydrophobicContact CD1-CE2 3.7Å; L130-F134 HydrophobicContact CD1-CZ 4.13Å; L130-F134 HydrophobicContact CD2-CE2 4.25Å; L130-F134 HydrophobicContact CG-CD2 4.1Å; L130-F134 HydrophobicContact CG-CE2 3.62Å; L130-F134 HydrophobicContact CG-CZ 4.47Å; L130-F134 WeakPolarHBondContact O-CD2 3.37Å; L130-F134 PolarHBondContact O-N 3.34Å; L130-F146 HydrophobicContact CB-CE2 4.26Å; L130-F146 HydrophobicContact CB-CZ 3.94Å; L130-F146 HydrophobicContact CD2-CD2 4.38Å; L130-F146 HydrophobicContact CD2-CE2 3.45Å; L130-F146 VanDerWaalsContact CD2-CE2 3.45Å; L130-F146 HydrophobicContact CD2-CZ 3.99Å; L130-F146 HydrophobicContact CG-CE2 3.75Å; L130-F146 HydrophobicContact CG-CZ 3.92Å; L130-F153 HydrophobicContact CD2-CZ 4.28Å
131A82.3Confident82.5Confident4 Ų482.1 Ų82.13%0.03342%0.42CS..Hα-helixtrans-61.2-44.2170.400000113.1S129 F133 F134 R135 F146 E148S129-A131 PolarHBondContact O-N 3.44Å; S129-A131 PolarHBondContact OG-N 3.46Å; A131-F133 VanDerWaalsContact C-N 3.33Å; A131-F134 PolarHBondContact O-N 2.85Å; A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 3.27Å; A131-F146 HydrophobicContact CB-CE1 3.88Å; A131-E148 HydrophobicContact CB-CG 4.31Å
132E83.8Confident82.3Confident96 Ų9686.4 Ų86.445%0.44944%0.438SS..Hα-helixtrans-66.3-37.9177.7-69-178.6154.100111.6P128 S129 R135 Q136P128-E132 HydrophobicContact CB-CB 4.02Å; S129-E132 PolarHBondContact N-OE2 3.37Å; S129-E132 WeakPolarHBondContact O-CA 3.42Å; S129-E132 WeakPolarHBondContact O-CB 3.48Å; S129-E132 PolarHBondContact O-N 3.15Å; E132-R135 PolarHBondContact O-N 3.11Å; E132-Q136 WeakPolarHBondContact O-CB 3.49Å; E132-Q136 PolarHBondContact O-N 3.46Å
133F85.8Confident82.1Confident14 Ų1485.5 Ų85.56%0.06143%0.433CS..Hα-helixtrans-59.7-45.4173.4172.8-106.5000111.7A116 V119 W120 L123 P128 S129 L130 A131 Q136 L137A116-F133 HydrophobicContact CB-CE1 4.37Å; V119-F133 HydrophobicContact CB-CZ 4.06Å; V119-F133 HydrophobicContact CG1-CE2 4Å; V119-F133 HydrophobicContact CG1-CZ 3.56Å; W120-F133 HydrophobicContact CB-CD1 4.29Å; W120-F133 HydrophobicContact CB-CE1 4.36Å; W120-F133 AromaticContact CD1-CG 3.88Å; L123-F133 HydrophobicContact CD1-CD2 3.67Å; L123-F133 HydrophobicContact CD1-CE2 3.93Å; L123-F133 HydrophobicContact CD1-CG 4.49Å; P128-F133 HydrophobicContact CG-CB 4.43Å; S129-F133 PolarHBondContact O-N 2.87Å; L130-F133 HydrophobicContact CD1-CD1 4.03Å; L130-F133 WeakPolarHBondContact O-CB 3.1Å; L130-F133 PolarHBondContact O-N 2.88Å; A131-F133 VanDerWaalsContact C-N 3.33Å; F133-Q136 PolarHBondContact O-N 2.93Å; F133-L137 HydrophobicContact CD1-CD1 4.17Å; F133-L137 HydrophobicContact CE1-CD1 3.56Å; F133-L137 HydrophobicContact CE2-CD1 4.02Å; F133-L137 HydrophobicContact CE2-CG 4.44Å; F133-L137 HydrophobicContact CZ-CD1 3.48Å; F133-L137 VanDerWaalsContact CZ-CD1 3.48Å; F133-L137 HydrophobicContact CZ-CG 4.36Å; F133-L137 WeakPolarHBondContact O-CG 3.45Å; F133-L137 PolarHBondContact O-N 2.93Å; F133-L137 VanDerWaalsContact O-N 3.1Å
134F86.6Confident82Confident2 Ų283.7 Ų83.71%0.00942%0.424CS..Hα-helixtrans-66.8-39.1175.4-73.8-55.8000113.1A116 L130 A131 Q136 L137 H138 V139 L141 I144 F146 F153A116-F134 HydrophobicContact CB-CE1 3.44Å; A116-F134 VanDerWaalsContact CB-CE1 3.44Å; A116-F134 HydrophobicContact CB-CZ 3.49Å; A116-F134 VanDerWaalsContact CB-CZ 3.49Å; L130-F134 HydrophobicContact CD1-CD2 4.26Å; L130-F134 HydrophobicContact CD1-CE2 3.7Å; L130-F134 HydrophobicContact CD1-CZ 4.13Å; L130-F134 HydrophobicContact CD2-CE2 4.25Å; L130-F134 HydrophobicContact CG-CD2 4.1Å; L130-F134 HydrophobicContact CG-CE2 3.62Å; L130-F134 HydrophobicContact CG-CZ 4.47Å; L130-F134 WeakPolarHBondContact O-CD2 3.37Å; L130-F134 PolarHBondContact O-N 3.34Å; A131-F134 PolarHBondContact O-N 2.85Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 3.37Å; F134-L137 CarbonylContact O-C 3.58Å; F134-L137 PolarHBondContact O-N 3.2Å; F134-L137 VanDerWaalsContact O-N 3.15Å; F134-H138 PolarHBondContact O-N 3.43Å; F134-V139 HydrophobicContact CD1-CB 4.41Å; F134-V139 PolarHBondContact O-N 3.42Å; F134-V139 VanDerWaalsContact O-N 3.1Å; F134-L141 HydrophobicContact CB-CD2 3.61Å; F134-L141 HydrophobicContact CD2-CD2 4.04Å; F134-L141 HydrophobicContact CG-CD2 4.14Å; F134-I144 HydrophobicContact CD1-CD1 4.05Å; F134-I144 HydrophobicContact CE1-CD1 3.66Å; F134-I144 HydrophobicContact CZ-CD1 4.31Å; F134-I144 HydrophobicContact CZ-CG2 4.29Å; F134-F146 HydrophobicContact CD2-CD2 4.34Å; F134-F146 HydrophobicContact CD2-CG 4.3Å; F134-F146 AromaticContact CE2-CD2 3.91Å; F134-F146 HydrophobicContact CE2-CD2 3.91Å; F134-F146 HydrophobicContact CE2-CE2 4.25Å; F134-F146 HydrophobicContact CE2-CG 4.27Å; F134-F153 AromaticContact CE2-CE1 3.83Å; F134-F153 HydrophobicContact CE2-CE1 3.83Å; F134-F153 HydrophobicContact CE2-CZ 4.06Å; F134-F153 AromaticContact CZ-CE1 3.75Å; F134-F153 HydrophobicContact CZ-CE1 3.75Å; F134-F153 AromaticContact CZ-CZ 3.82Å; F134-F153 HydrophobicContact CZ-CZ 3.82Å
135R84.8Confident81.9Confident133 Ų13382.5 Ų82.550%0.50241%0.409SS..Hα-helixtrans-60.8-38.6173.6-75.9-173-112.3137.4-3.5111.9A131 E132 L137 H138 E148A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 3.27Å; E132-R135 PolarHBondContact O-N 3.11Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-H138 PolarHBondContact O-N 2.9Å; R135-H138 VanDerWaalsContact O-N 3.16Å; R135-E148 IonicContact NE-OE1 3.48Å; R135-E148 IonicContact NH2-OE1 3.48Å
136Q85.9Confident82Confident146 Ų14674.5 Ų74.568%0.68237%0.371SS*.Hα-helixtrans-67.7-33.2175.9-173.3176.9-2.100112.5E132 F133 F134 H138E132-Q136 WeakPolarHBondContact O-CB 3.49Å; E132-Q136 PolarHBondContact O-N 3.46Å; F133-Q136 PolarHBondContact O-N 2.93Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 3.37Å; Q136-H138 PolarHBondContact O-N 3.29Å
137L85.9Confident82.4Confident95 Ų9570 Ų7050%0.49734%0.34SS..THydrogen-bonded Turntrans-78.4-1.6174-68.9175.2000113.5F133 F134 R135 V139F133-L137 HydrophobicContact CD1-CD1 4.17Å; F133-L137 HydrophobicContact CE1-CD1 3.56Å; F133-L137 HydrophobicContact CE2-CD1 4.02Å; F133-L137 HydrophobicContact CE2-CG 4.44Å; F133-L137 HydrophobicContact CZ-CD1 3.48Å; F133-L137 VanDerWaalsContact CZ-CD1 3.48Å; F133-L137 HydrophobicContact CZ-CG 4.36Å; F133-L137 WeakPolarHBondContact O-CG 3.45Å; F133-L137 PolarHBondContact O-N 2.93Å; F133-L137 VanDerWaalsContact O-N 3.1Å; F134-L137 CarbonylContact O-C 3.58Å; F134-L137 PolarHBondContact O-N 3.2Å; F134-L137 VanDerWaalsContact O-N 3.15Å; R135-L137 VanDerWaalsContact C-N 3.33Å; L137-V139 HydrophobicContact CB-CG2 3.78Å; L137-V139 PolarHBondContact O-N 3.03Å
138H86.2Confident82.6Confident178 Ų17870.5 Ų70.582%0.82435%0.347SS*.THydrogen-bonded Turntrans52.834.3-172.4-62-70.9000113F134 R135 Q136F134-H138 PolarHBondContact O-N 3.43Å; R135-H138 PolarHBondContact O-N 2.9Å; R135-H138 VanDerWaalsContact O-N 3.16Å; Q136-H138 PolarHBondContact O-N 3.29Å
139V84.6Confident82.4Confident46 Ų4673 Ų7328%0.27937%0.37SS..  trans-91.1130.2175.1-1750000109F134 L137 L141 I144F134-V139 HydrophobicContact CD1-CB 4.41Å; F134-V139 PolarHBondContact O-N 3.42Å; F134-V139 VanDerWaalsContact O-N 3.1Å; L137-V139 HydrophobicContact CB-CG2 3.78Å; L137-V139 PolarHBondContact O-N 3.03Å; V139-L141 PolarHBondContact O-N 3.43Å; V139-I144 HydrophobicContact CB-CD1 4.32Å; V139-I144 HydrophobicContact CG1-CD1 3.33Å; V139-I144 HydrophobicContact CG1-CG1 3.76Å
140D84.7Confident81.9Confident98 Ų9877.2 Ų77.252%0.52438%0.384SS..  trans-65.7122.9174-165.2-12.3000109.9E142 L143 I144D140-E142 PolarHBondContact O-N 3.46Å; D140-E142 PolarHBondContact OD1-N 2.83Å; D140-L143 HydrophobicContact CB-CB 4.07Å; D140-L143 WeakPolarHBondContact O-CB 3.47Å; D140-L143 PolarHBondContact O-N 3.3Å; D140-L143 VanDerWaalsContact O-N 3.12Å; D140-I144 PolarHBondContact O-N 2.83Å
141L81Confident81.5Confident32 Ų3280.3 Ų80.317%0.16840%0.4CS..Hα-helixtrans-65.7-30-177.9-65.9165.4000111F134 V139 L143 I144 Q145 F146 E148F134-L141 HydrophobicContact CB-CD2 3.61Å; F134-L141 HydrophobicContact CD2-CD2 4.04Å; F134-L141 HydrophobicContact CG-CD2 4.14Å; V139-L141 PolarHBondContact O-N 3.43Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.27Å; L141-I144 PolarHBondContact O-N 3.13Å; L141-Q145 PolarHBondContact O-N 3.3Å; L141-Q145 VanDerWaalsContact O-N 3.11Å; L141-F146 HydrophobicContact CB-CB 4.45Å; L141-F146 HydrophobicContact CD2-CB 4.03Å; L141-F146 HydrophobicContact CD2-CD1 3.81Å; L141-F146 HydrophobicContact CD2-CG 4.17Å; L141-F146 PolarHBondContact O-N 2.77Å; L141-E148 HydrophobicContact CD1-CG 3.98Å; L141-E148 WeakPolarHBondContact CD1-OE1 3.19Å
142E81.6Confident81.1Confident166 Ų16682.8 Ų82.878%0.77642%0.417SS*.Hα-helixtrans-67.1-33.7175.1-64.4-170.2174.800111.7D140 Q145D140-E142 PolarHBondContact O-N 3.46Å; D140-E142 PolarHBondContact OD1-N 2.83Å; E142-Q145 PolarHBondContact O-N 3.32Å
143L82.5Confident80.8Confident129 Ų12980 Ų8068%0.67540%0.404SS*.Hα-helixtrans-70-35.2-179-173.167.6000112.3L109 D140 L141 Q145L109-L143 WeakPolarHBondContact CD1-O 3.5Å; D140-L143 HydrophobicContact CB-CB 4.07Å; D140-L143 WeakPolarHBondContact O-CB 3.47Å; D140-L143 PolarHBondContact O-N 3.3Å; D140-L143 VanDerWaalsContact O-N 3.12Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.27Å; L143-Q145 VanDerWaalsContact C-N 3.35Å
144I80.7Confident80.1Confident18 Ų1886 Ų869%0.09243%0.426CS..Hα-helixtrans-89.9-3.2177.4-64.7-171.8000111.6Q113 F134 V139 D140 L141 F146 F153Q113-I144 HydrophobicContact CG-CG2 3.68Å; Q113-I144 PolarHBondContact NE2-O 3.44Å; F134-I144 HydrophobicContact CD1-CD1 4.05Å; F134-I144 HydrophobicContact CE1-CD1 3.66Å; F134-I144 HydrophobicContact CZ-CD1 4.31Å; F134-I144 HydrophobicContact CZ-CG2 4.29Å; V139-I144 HydrophobicContact CB-CD1 4.32Å; V139-I144 HydrophobicContact CG1-CD1 3.33Å; V139-I144 HydrophobicContact CG1-CG1 3.76Å; D140-I144 PolarHBondContact O-N 2.83Å; L141-I144 PolarHBondContact O-N 3.13Å; I144-F146 VanDerWaalsContact C-N 3.27Å; I144-F146 PolarHBondContact O-N 3.07Å; I144-F153 HydrophobicContact CG2-CD1 3.77Å; I144-F153 HydrophobicContact CG2-CE1 3.44Å; I144-F153 VanDerWaalsContact CG2-CE1 3.44Å
145Q80.6Confident78.9Confident80 Ų8094.9 Ų94.937%0.37449%0.488SS..THydrogen-bonded Turntrans56.342-175.6-54.2177.814.700112L109 L141 E142 L143 R154L109-Q145 HydrophobicContact CD1-CG 4.01Å; L141-Q145 PolarHBondContact O-N 3.3Å; L141-Q145 VanDerWaalsContact O-N 3.11Å; E142-Q145 PolarHBondContact O-N 3.32Å; L143-Q145 VanDerWaalsContact C-N 3.35Å; Q145-R154 HydrophobicContact CB-CB 4.19Å; Q145-R154 WeakPolarHBondContact O-CB 3.35Å; Q145-R154 WeakPolarHBondContact O-CG 3.47Å; Q145-R154 PolarHBondContact O-N 3.13Å
146F77.3Confident78.6Confident12 Ų1293 Ų935%0.05349%0.487CS..EExtended strand (participates in β ladder)trans-82.3130.2178.1-170.9-101.9000110.7L130 A131 F134 L141 I144 E148 D151 F153L130-F146 HydrophobicContact CB-CE2 4.26Å; L130-F146 HydrophobicContact CB-CZ 3.94Å; L130-F146 HydrophobicContact CD2-CD2 4.38Å; L130-F146 HydrophobicContact CD2-CE2 3.45Å; L130-F146 VanDerWaalsContact CD2-CE2 3.45Å; L130-F146 HydrophobicContact CD2-CZ 3.99Å; L130-F146 HydrophobicContact CG-CE2 3.75Å; L130-F146 HydrophobicContact CG-CZ 3.92Å; A131-F146 HydrophobicContact CB-CE1 3.88Å; F134-F146 HydrophobicContact CD2-CD2 4.34Å; F134-F146 HydrophobicContact CD2-CG 4.3Å; F134-F146 AromaticContact CE2-CD2 3.91Å; F134-F146 HydrophobicContact CE2-CD2 3.91Å; F134-F146 HydrophobicContact CE2-CE2 4.25Å; F134-F146 HydrophobicContact CE2-CG 4.27Å; L141-F146 HydrophobicContact CB-CB 4.45Å; L141-F146 HydrophobicContact CD2-CB 4.03Å; L141-F146 HydrophobicContact CD2-CD1 3.81Å; L141-F146 HydrophobicContact CD2-CG 4.17Å; L141-F146 PolarHBondContact O-N 2.77Å; I144-F146 VanDerWaalsContact C-N 3.27Å; I144-F146 PolarHBondContact O-N 3.07Å; F146-E148 HydrophobicContact CD1-CG 4.25Å; F146-E148 HydrophobicContact CE1-CG 4.42Å; F146-D151 WeakPolarHBondContact CZ-OD1 3.34Å; F146-F153 HydrophobicContact CB-CD1 4.49Å; F146-F153 AromaticContact CD2-CD1 3.76Å; F146-F153 HydrophobicContact CD2-CD1 3.76Å; F146-F153 AromaticContact CD2-CE1 3.68Å; F146-F153 HydrophobicContact CD2-CE1 3.68Å; F146-F153 HydrophobicContact CD2-CZ 4.44Å; F146-F153 HydrophobicContact CE2-CE1 4.4Å
147D80.2Confident78.2Confident32 Ų3290.2 Ų90.217%0.17148%0.477CS..EExtended strand (participates in β ladder)trans-95108171.7-157.8-20.6000110.2A149 E150 D151 C152 R154D147-A149 PolarHBondContact O-N 3.39Å; D147-A149 WeakPolarHBondContact OD1-CB 3.43Å; D147-A149 PolarHBondContact OD1-N 3.1Å; D147-A149 VanDerWaalsContact OD1-N 3.13Å; D147-E150 HydrophobicContact CB-CB 4.5Å; D147-E150 PolarHBondContact O-N 3.33Å; D147-D151 WeakPolarHBondContact O-CA 3.5Å; D147-D151 PolarHBondContact O-N 2.94Å; D147-C152 PolarHBondContact N-O 3.23Å; D147-C152 PolarHBondContact O-N 3.49Å; D147-R154 HydrophobicContact CB-CG 4.04Å; D147-R154 IonicContact OD1-NH2 3.56Å; D147-R154 PolarHBondContact OD1-NH2 2.99Å; D147-R154 IonicContact OD2-CZ 3.2Å; D147-R154 VanDerWaalsContact OD2-CZ 3.24Å; D147-R154 IonicContact OD2-NE 2.7Å; D147-R154 IonicContact OD2-NH2 3.2Å; D147-R154 PolarHBondContact OD2-NH2 3.24Å
148E77.4Confident77.8Confident108 Ų10889.9 Ų89.951%0.50548%0.476SS..THydrogen-bonded Turntrans-63.4-25.9177-67.3-165.7142.100112.8A131 R135 L141 F146A131-E148 HydrophobicContact CB-CG 4.31Å; R135-E148 IonicContact NE-OE1 3.48Å; R135-E148 IonicContact NH2-OE1 3.48Å; L141-E148 HydrophobicContact CD1-CG 3.98Å; L141-E148 WeakPolarHBondContact CD1-OE1 3.19Å; F146-E148 HydrophobicContact CD1-CG 4.25Å; F146-E148 HydrophobicContact CE1-CG 4.42Å
149A74Confident77.3Confident83 Ų8384.8 Ų84.869%0.68646%0.456SS*.THydrogen-bonded Turntrans-73.4-38.3-177.900000112.3D147D147-A149 PolarHBondContact O-N 3.39Å; D147-A149 WeakPolarHBondContact OD1-CB 3.43Å; D147-A149 PolarHBondContact OD1-N 3.1Å; D147-A149 VanDerWaalsContact OD1-N 3.13Å
150E71Confident76.8Confident140 Ų14087.2 Ų87.265%0.65447%0.467SS*.THydrogen-bonded Turntrans-104.40.5-175-60.3-63.4148.900112.7D147 C152D147-E150 HydrophobicContact CB-CB 4.5Å; D147-E150 PolarHBondContact O-N 3.33Å; E150-C152 WeakPolarHBondContact CB-SG 3.36Å; E150-C152 PolarHBondContact O-N 2.78Å; E150-C152 VanDerWaalsContact O-N 3.13Å
151D75.4Confident76.3Confident74 Ų7486.5 Ų86.540%0.39646%0.463SS..THydrogen-bonded Turntrans49.535-174.7-156.438.7000112.5F146 D147F146-D151 WeakPolarHBondContact CZ-OD1 3.34Å; D147-D151 WeakPolarHBondContact O-CA 3.5Å; D147-D151 PolarHBondContact O-N 2.94Å
152C73.7Confident75.9Confident57 Ų5790.4 Ų90.439%0.38548%0.484SS..EExtended strand (participates in β ladder)trans-137.9161-174.375.30000112.7D147 E150D147-C152 PolarHBondContact N-O 3.23Å; D147-C152 PolarHBondContact O-N 3.49Å; E150-C152 WeakPolarHBondContact CB-SG 3.36Å; E150-C152 PolarHBondContact O-N 2.78Å; E150-C152 VanDerWaalsContact O-N 3.13Å
153F76.7Confident75.5Confident37 Ų3784.5 Ų84.516%0.16246%0.462CS..EExtended strand (participates in β ladder)trans-79133.7173.6-59.4-65.4000110.2Q113 L130 F134 I144 F146 S155Q113-F153 HydrophobicContact CB-CD1 4.24Å; Q113-F153 HydrophobicContact CB-CD2 3.97Å; Q113-F153 HydrophobicContact CB-CE1 4.11Å; Q113-F153 HydrophobicContact CB-CE2 3.8Å; Q113-F153 HydrophobicContact CB-CG 4.19Å; Q113-F153 HydrophobicContact CB-CZ 3.88Å; Q113-F153 HydrophobicContact CG-CD1 3.54Å; Q113-F153 HydrophobicContact CG-CD2 4.1Å; Q113-F153 HydrophobicContact CG-CE1 3.66Å; Q113-F153 HydrophobicContact CG-CE2 4.19Å; Q113-F153 HydrophobicContact CG-CG 3.79Å; Q113-F153 HydrophobicContact CG-CZ 3.98Å; L130-F153 HydrophobicContact CD2-CZ 4.28Å; F134-F153 AromaticContact CE2-CE1 3.83Å; F134-F153 HydrophobicContact CE2-CE1 3.83Å; F134-F153 HydrophobicContact CE2-CZ 4.06Å; F134-F153 AromaticContact CZ-CE1 3.75Å; F134-F153 HydrophobicContact CZ-CE1 3.75Å; F134-F153 AromaticContact CZ-CZ 3.82Å; F134-F153 HydrophobicContact CZ-CZ 3.82Å; I144-F153 HydrophobicContact CG2-CD1 3.77Å; I144-F153 HydrophobicContact CG2-CE1 3.44Å; I144-F153 VanDerWaalsContact CG2-CE1 3.44Å; F146-F153 HydrophobicContact CB-CD1 4.49Å; F146-F153 AromaticContact CD2-CD1 3.76Å; F146-F153 HydrophobicContact CD2-CD1 3.76Å; F146-F153 AromaticContact CD2-CE1 3.68Å; F146-F153 HydrophobicContact CD2-CE1 3.68Å; F146-F153 HydrophobicContact CD2-CZ 4.44Å; F146-F153 HydrophobicContact CE2-CE1 4.4Å; F153-S155 PolarHBondContact O-N 2.97Å
154R71.7Confident74.9Confident141 Ų14180.8 Ų80.853%0.53244%0.444SS..  trans-66.4128.9171.8-60.1176.5179-111.8-10.9108.4Q145 D147Q145-R154 HydrophobicContact CB-CB 4.19Å; Q145-R154 WeakPolarHBondContact O-CB 3.35Å; Q145-R154 WeakPolarHBondContact O-CG 3.47Å; Q145-R154 PolarHBondContact O-N 3.13Å; D147-R154 HydrophobicContact CB-CG 4.04Å; D147-R154 IonicContact OD1-NH2 3.56Å; D147-R154 PolarHBondContact OD1-NH2 2.99Å; D147-R154 IonicContact OD2-CZ 3.2Å; D147-R154 VanDerWaalsContact OD2-CZ 3.24Å; D147-R154 IonicContact OD2-NE 2.7Å; D147-R154 IonicContact OD2-NH2 3.2Å; D147-R154 PolarHBondContact OD2-NH2 3.24Å
155S60.2Low74.4Confident188 Ų18886.5 Ų86.5100%1.31548%0.476SS*.  trans-84.50174.7-60.20000112.1F153F153-S155 PolarHBondContact O-N 2.97Å

Retrieved 155 of 155 residues in 105.3 ms (Link to these results)