A0A077ZGW1_TRITR Loading...

Probable NADH dehydrogenase [ubiquinone] 1 beta s ubcomplex subunit 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZGW1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 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
1M51.3Low55.2Low212 Ų212138.3 Ų138.3100%1.04469%0.693SS**  0-12.10-109.2163.511000115.5
2V51.4Low55Low113 Ų113143.2 Ų143.269%0.68570%0.697SS**  trans-84.9-33.9-179.2-179.90000112.9I4 K5V2-I4 VanDerWaalsContact C-N 3.32Å; V2-I4 PolarHBondContact O-N 3.37Å; V2-K5 PolarHBondContact O-N 3.41Å
3I54.8Low55Low140 Ų140140.6 Ų140.672%0.71869%0.687SS**Hα-helixtrans-64.9-33.9-177.3-60.7170.1000112.1K5 L6 V7I3-K5 VanDerWaalsContact C-N 3.31Å; I3-K5 PolarHBondContact O-N 3.48Å; I3-L6 PolarHBondContact O-N 2.93Å; I3-V7 PolarHBondContact O-N 3.14Å
4I58.3Low54.5Low132 Ų132134.4 Ų134.468%0.67768%0.677SS**Hα-helixtrans-68.1-30.8-179.6-59.9168.8000111.6V2 S8V2-I4 VanDerWaalsContact C-N 3.32Å; V2-I4 PolarHBondContact O-N 3.37Å; I4-S8 PolarHBondContact O-N 3.03Å
5K51.9Low54.1Low167 Ų167131.7 Ų131.773%0.72668%0.676SS**Hα-helixtrans-74.7-31.3177.6-76.6-170.6174.9-179.20112.8V2 I3 S8 V9V2-K5 PolarHBondContact O-N 3.41Å; I3-K5 VanDerWaalsContact C-N 3.31Å; I3-K5 PolarHBondContact O-N 3.48Å; K5-S8 PolarHBondContact O-N 3.32Å; K5-V9 WeakPolarHBondContact O-CG2 3.44Å; K5-V9 PolarHBondContact O-N 3.46Å
6L53.9Low53.8Low115 Ų115138.2 Ų138.260%0.60269%0.689SS**Hα-helixtrans-70.4-38.9178.1-101146000112.6I3 S8 V9 W10I3-L6 PolarHBondContact O-N 2.93Å; L6-S8 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.97Å; L6-V9 PolarHBondContact O-N 2.92Å; L6-W10 PolarHBondContact O-N 3.38Å
7V58Low53.4Low98 Ų98135.8 Ų135.859%0.59469%0.689SS**Hα-helixtrans-65.7-35.1176.3177.70000111.7I3 K11I3-V7 PolarHBondContact O-N 3.14Å; V7-K11 PolarHBondContact O-N 2.96Å
8S58.3Low52.6Low71 Ų71138.9 Ų138.950%0.49770%0.697SS.*Hα-helixtrans-64.8-37175.1163.40000113.1I4 K5 L6 R12I4-S8 PolarHBondContact O-N 3.03Å; K5-S8 PolarHBondContact O-N 3.32Å; L6-S8 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.97Å; S8-R12 PolarHBondContact O-N 3.15Å
9V59.7Low51.7Low82 Ų82138.3 Ų138.350%0.49771%0.706SS.*Hα-helixtrans-72.6-38.7-179.8173.50000111K5 L6 R12 I13K5-V9 WeakPolarHBondContact O-CG2 3.44Å; K5-V9 PolarHBondContact O-N 3.46Å; L6-V9 PolarHBondContact O-N 2.92Å; V9-R12 PolarHBondContact O-N 2.72Å; V9-I13 HydrophobicContact CG1-CD1 4.02Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.32Å
10W55Low51.3Low212 Ų212140.9 Ų140.980%0.80371%0.712SS**Hα-helixtrans-66.4-38.2175.9-107.756.2000113.2L6 R12 I13 G14L6-W10 PolarHBondContact O-N 3.38Å; W10-R12 PolarHBondContact O-N 2.95Å; W10-I13 PolarHBondContact O-N 3.39Å; W10-G14 PolarHBondContact O-N 3.45Å; W10-G14 VanDerWaalsContact O-N 3.15Å
11K54.4Low50.8Low179 Ų179145.7 Ų145.778%0.77872%0.721SS**Hα-helixtrans-64.7-26.7175.7-138.2176.5-172.6179.90112.8V7V7-K11 PolarHBondContact O-N 2.96Å
12R52.6Low50.2Low197 Ų197140.4 Ų140.474%0.74371%0.711SS**Hα-helixtrans-82.3-23178.2-166.7173.9-88.1179.1-6.9112.9S8 V9 W10S8-R12 PolarHBondContact O-N 3.15Å; V9-R12 PolarHBondContact O-N 2.72Å; W10-R12 PolarHBondContact O-N 2.95Å
13I55.4Low49.9Very low110 Ų110139.6 Ų139.656%0.56472%0.716SS**Hα-helixtrans-85.9-36.1178.2-67.8165.2000111.2V9 W10 S15V9-I13 HydrophobicContact CG1-CD1 4.02Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.32Å; W10-I13 PolarHBondContact O-N 3.39Å; I13-S15 PolarHBondContact O-N 3.27Å
14G48.3Very low49.2Very low53 Ų53141.7 Ų141.755%0.54672%0.723SS.*THydrogen-bonded Turntrans-69.3-12177.300000115.7W10W10-G14 PolarHBondContact O-N 3.45Å; W10-G14 VanDerWaalsContact O-N 3.15Å
15S48.6Very low48.2Very low95 Ų95145 Ų14566%0.66473%0.733SS**THydrogen-bonded Turntrans-89.9-7.8-177.3-178.30000114.3I13I13-S15 PolarHBondContact O-N 3.27Å
16R48.4Very low47.5Very low235 Ų235146.4 Ų146.489%0.88774%0.739SS**SBendtrans-102.1-1.4-174.2-78.3-170.9173.5-175.2-1.7115.2
17S47.3Very low46.7Very low98 Ų98143.6 Ų143.669%0.68574%0.738SS**SBendtrans-113.33.4-172.829.50000115
18F38.5Very low45.8Very low191 Ų191146.4 Ų146.484%0.83875%0.747SS**SBendtrans-133.282.1-173.9-130-95.3000110.7
19C36.1Very low45Very low127 Ų127148.7 Ų148.786%0.85876%0.757SS**  trans159.977.6157.4-920000109.2
20K43.2Very low44.1Very low190 Ų190151.3 Ų151.383%0.82677%0.769SS**  trans-111.7121.2147.9-78.1-170.3177.7-175.90107.1
21R41.2Very low43.3Very low242 Ų242151.4 Ų151.491%0.91377%0.77SS**  trans-49.4129.5-174.1-73.4166.1174.9169.3-3110.9A23R21-A23 PolarHBondContact O-N 2.91Å; R21-A23 VanDerWaalsContact O-N 3.12Å
22A38.4Very low43.1Very low101 Ų101145.4 Ų145.484%0.83576%0.759SS**  trans-59.9110.3155.100000107.2E24A22-E24 PolarHBondContact O-N 2.88Å
23A45.7Very low42.6Very low96 Ų96141.3 Ų141.379%0.79376%0.758SS**  trans-71.2126.1170.100000108R21 F25R21-A23 PolarHBondContact O-N 2.91Å; R21-A23 VanDerWaalsContact O-N 3.12Å; A23-F25 PolarHBondContact O-N 3.3Å
24E40.7Very low42.4Very low184 Ų184148.1 Ų148.186%0.8678%0.777SS**  trans-53.5124.8176.9-69.1178.1147.400111A22 K26A22-E24 PolarHBondContact O-N 2.88Å; E24-K26 PolarHBondContact O-N 2.98Å
25F37Very low42.7Very low202 Ų202154 Ų15489%0.88679%0.79SS**  trans-72.691.7173.3-165.5-95.4000108.6A23A23-F25 PolarHBondContact O-N 3.3Å
26K36.5Very low42.6Very low196 Ų196156.7 Ų156.785%0.85279%0.792SS**  trans-100.5118.5175.4-157165.1-174.7175.40108.9E24E24-K26 PolarHBondContact O-N 2.98Å
27G37.7Very low42.6Very low56 Ų56150 Ų15058%0.57778%0.778SS**  trans-49.7145.1-163.500000116.6
28M37.6Very low42.9Very low157 Ų157150 Ų15077%0.77377%0.774SS**  trans-177.3115.8132.7-95.7170.999.900108Y31M28-Y31 HydrophobicContact CE-CD2 3.6Å; M28-Y31 HydrophobicContact CE-CE2 3.98Å; M28-Y31 HydrophobicContact CE-CG 4.42Å
29V42.1Very low43.6Very low119 Ų119148.9 Ų148.972%0.72177%0.769SS**  trans-98.4112.2171.1175.90000107.2
30N40.2Very low44.3Very low138 Ų138151.6 Ų151.674%0.73876%0.762SS**  trans58.988.9161.7-54.7-27.3000118.3
31Y39.9Very low44.9Very low214 Ų214151 Ų15184%0.83976%0.759SS**  trans-116.775.5156.4-85-87000110.4M28M28-Y31 HydrophobicContact CE-CD2 3.6Å; M28-Y31 HydrophobicContact CE-CE2 3.98Å; M28-Y31 HydrophobicContact CE-CG 4.42Å
32G49.1Very low46.1Very low52 Ų52140 Ų14054%0.53672%0.721SS.*SBendtrans-142.3151.4173.100000111.7
33P42.3Very low47.5Very low112 Ų112137 Ų13773%0.72769%0.693SS**  trans-58.9138.5179.3-1729.5000111.2E35P33-E35 PolarHBondContact O-N 2.63Å
34R52.2Low48.4Very low253 Ų253137.5 Ų137.596%0.95569%0.688SS**THydrogen-bonded Turntrans-59.5-8.2-173.6-103.1-178.9179.7178.9-0.2116
35E52.8Low49.5Very low175 Ų175135.2 Ų135.282%0.81868%0.677SS**THydrogen-bonded Turntrans-89-15.6-171.3-59.8-174.5-171.200113.8P33P33-E35 PolarHBondContact O-N 2.63Å
36H48.1Very low50.5Low153 Ų153133.6 Ų133.671%0.70867%0.665SS**SBendtrans-133106.8167.8-73.7-72.2000108.3V38H36-V38 VanDerWaalsContact C-N 3.34Å; H36-V38 PolarHBondContact O-N 2.73Å
37P48.9Very low51.5Low93 Ų93129.7 Ų129.760%0.60465%0.654SS**  trans-60.2106.4167.425.8-31000106.4F39P37-F39 HydrophobicContact CB-CE2 4.42Å; P37-F39 HydrophobicContact CB-CZ 4.49Å; P37-F39 HydrophobicContact CG-CE2 3.96Å; P37-F39 HydrophobicContact CG-CZ 4.16Å; P37-F39 PolarHBondContact O-N 2.73Å
38V52.7Low52.4Low100 Ų100130 Ų13061%0.60665%0.65SS**  trans-69.785.4163.9-173.70000104H36 W40H36-V38 VanDerWaalsContact C-N 3.34Å; H36-V38 PolarHBondContact O-N 2.73Å; V38-W40 PolarHBondContact O-N 2.87Å; V38-W40 VanDerWaalsContact O-N 3.12Å
39F53Low53.2Low166 Ų166126.5 Ų126.573%0.72863%0.632SS**  trans-47.4125.8164.3-68.2-75.9000105.6P37 K41P37-F39 HydrophobicContact CB-CE2 4.42Å; P37-F39 HydrophobicContact CB-CZ 4.49Å; P37-F39 HydrophobicContact CG-CE2 3.96Å; P37-F39 HydrophobicContact CG-CZ 4.16Å; P37-F39 PolarHBondContact O-N 2.73Å; F39-K41 PolarHBondContact O-N 3.12Å
40W51.5Low53.9Low185 Ų185121.9 Ų121.970%0.70161%0.609SS**  trans-39.8109.4179.7173.684.7000108.7V38 G42 W46V38-W40 PolarHBondContact O-N 2.87Å; V38-W40 VanDerWaalsContact O-N 3.12Å; W40-G42 PolarHBondContact O-N 3.12Å; W40-G42 VanDerWaalsContact O-N 3.15Å; W40-W46 HydrophobicContact CH2-CD2 4.46Å; W40-W46 AromaticContact CH2-CE3 3.95Å; W40-W46 HydrophobicContact CH2-CE3 3.95Å; W40-W46 HydrophobicContact CH2-CZ3 4.03Å
41K56Low54.9Low177 Ų177123.3 Ų123.377%0.7761%0.611SS**  trans-78.4103.5172.2-73-173.8179.8-179.10104F39F39-K41 PolarHBondContact O-N 3.12Å
42G66.2Low55.9Low11 Ų11119 Ų11911%0.11360%0.597CS.*  trans-50.5148.3172.300000109.8W40W40-G42 PolarHBondContact O-N 3.12Å; W40-G42 VanDerWaalsContact O-N 3.15Å
43P66.5Low56.6Low39 Ų39122.3 Ų122.325%0.25359%0.594SS.*  trans-52.9141.4-179.924.3-33000108.7E45 W46P43-E45 HydrophobicContact CB-CG 3.77Å; P43-E45 HydrophobicContact CG-CG 4.24Å; P43-E45 PolarHBondContact O-N 3.31Å; P43-W46 VanDerWaalsContact CG-CD1 3.45Å; P43-W46 HydrophobicContact CG-CD2 4.21Å; P43-W46 HydrophobicContact CG-CG 3.86Å; P43-W46 WeakPolarHBondContact O-CB 3.46Å; P43-W46 PolarHBondContact O-N 2.89Å
44P64.9Low57.7Low105 Ų105120.4 Ų120.468%0.68258%0.581SS**Hα-helixtrans-58.7-23.9-167.821.2-32.7000113.2W46 L47 A48P44-W46 VanDerWaalsContact C-N 3.26Å; P44-W46 PolarHBondContact O-N 3.38Å; P44-L47 PolarHBondContact O-N 3.12Å; P44-A48 PolarHBondContact O-N 3.38Å
45E64.7Low58.4Low136 Ų136117 Ų11764%0.63657%0.573SS**Hα-helixtrans-57.4-32.7169.630.9-178.3175.800113.6P43 E49P43-E45 HydrophobicContact CB-CG 3.77Å; P43-E45 HydrophobicContact CG-CG 4.24Å; P43-E45 PolarHBondContact O-N 3.31Å; E45-E49 WeakPolarHBondContact O-CB 3.09Å; E45-E49 PolarHBondContact O-N 2.96Å
46W56.8Low59.1Low168 Ų168110.6 Ų110.664%0.63655%0.551SS**Hα-helixtrans-81.8-27.6177.2-65.432000111.9W40 P43 P44 G50W40-W46 HydrophobicContact CH2-CD2 4.46Å; W40-W46 AromaticContact CH2-CE3 3.95Å; W40-W46 HydrophobicContact CH2-CE3 3.95Å; W40-W46 HydrophobicContact CH2-CZ3 4.03Å; P43-W46 VanDerWaalsContact CG-CD1 3.45Å; P43-W46 HydrophobicContact CG-CD2 4.21Å; P43-W46 HydrophobicContact CG-CG 3.86Å; P43-W46 WeakPolarHBondContact O-CB 3.46Å; P43-W46 PolarHBondContact O-N 2.89Å; P44-W46 VanDerWaalsContact C-N 3.26Å; P44-W46 PolarHBondContact O-N 3.38Å; W46-G50 WeakPolarHBondContact O-CA 3.32Å; W46-G50 PolarHBondContact O-N 2.83Å
47L58.6Low60Low115 Ų115111.7 Ų111.760%0.60255%0.55SS*.Hα-helixtrans-71.3-39.3170.2-70.4164.3000110.3P44 G50 E51P44-L47 PolarHBondContact O-N 3.12Å; L47-G50 PolarHBondContact O-N 2.91Å; L47-E51 PolarHBondContact O-N 3.1Å
48A56.5Low61.1Low61 Ų61117.6 Ų117.650%0.50456%0.56SS.*Hα-helixtrans-66.8-40.1173.400000112.6P44 K52P44-A48 PolarHBondContact O-N 3.38Å; A48-K52 PolarHBondContact O-N 3.24Å
49E54.5Low62.1Low85 Ų85117.4 Ų117.440%0.39756%0.559SS.*Hα-helixtrans-74-28.7173.8-157.498.1-129.900111.6E45 K52 Y53E45-E49 WeakPolarHBondContact O-CB 3.09Å; E45-E49 PolarHBondContact O-N 2.96Å; E49-K52 WeakPolarHBondContact O-CB 3.34Å; E49-K52 PolarHBondContact O-N 3.34Å; E49-K52 IonicContact OE1-NZ 2.82Å; E49-K52 PolarHBondContact OE1-NZ 3.46Å; E49-Y53 HydrophobicContact CG-CD2 4.4Å; E49-Y53 PolarHBondContact O-N 3.33Å
50G56.1Low62.7Low22 Ų22112.6 Ų112.623%0.22756%0.557CS.*Hα-helixtrans-72.8-31.4174.700000113.9W46 L47 K52 Y53W46-G50 WeakPolarHBondContact O-CA 3.32Å; W46-G50 PolarHBondContact O-N 2.83Å; L47-G50 PolarHBondContact O-N 2.91Å; G50-K52 VanDerWaalsContact C-N 3.34Å; G50-Y53 CarbonylContact O-C 3.13Å
51E61.1Low63.4Low168 Ų168110.3 Ų110.379%0.78555%0.549SS*.Hα-helixtrans-67.9-36.4166.8-82.4-170.5157.400111.6L47 Y53L47-E51 PolarHBondContact O-N 3.1Å; E51-Y53 VanDerWaalsContact C-N 3.3Å; E51-Y53 PolarHBondContact O-N 2.86Å
52K62.4Low63.5Low124 Ų124106.4 Ų106.454%0.53955%0.55SS..Hα-helixtrans-67.8-29.6177-176.7-177.5164.5-159.40112.7A48 E49 G50A48-K52 PolarHBondContact O-N 3.24Å; E49-K52 WeakPolarHBondContact O-CB 3.34Å; E49-K52 PolarHBondContact O-N 3.34Å; E49-K52 IonicContact OE1-NZ 2.82Å; E49-K52 PolarHBondContact OE1-NZ 3.46Å; G50-K52 VanDerWaalsContact C-N 3.34Å
53Y63.1Low63.4Low121 Ų121106.9 Ų106.948%0.47556%0.555SS.*SBendtrans-130.183.8174.2-59.3-74.9000110.1E49 G50 E51 F55E49-Y53 HydrophobicContact CG-CD2 4.4Å; E49-Y53 PolarHBondContact O-N 3.33Å; G50-Y53 CarbonylContact O-C 3.13Å; E51-Y53 VanDerWaalsContact C-N 3.3Å; E51-Y53 PolarHBondContact O-N 2.86Å; Y53-F55 PolarHBondContact O-N 3.45Å
54P65.8Low63.3Low72 Ų72112.3 Ų112.347%0.46858%0.577SS.*  trans-60.8111.7-179.524.6-33000109.2A56P54-A56 PolarHBondContact O-N 3.47Å
55F66.6Low63.4Low180 Ų180110.5 Ų110.579%0.78957%0.565SS**PPolyproline II helixtrans-77.3123.5174.957.1-87.9000108.4Y53Y53-F55 PolarHBondContact O-N 3.45Å
56A67.3Low63.9Low42 Ų42110.3 Ų110.335%0.34756%0.564SS.*PPolyproline II helixtrans-101.2124.8178.200000108.5P54 T59P54-A56 PolarHBondContact O-N 3.47Å; A56-T59 VanDerWaalsContact CB-OG1 3.3Å; A56-T59 WeakPolarHBondContact CB-OG1 3.31Å
57Y67.7Low65Low175 Ų175110 Ų11069%0.68657%0.568SS**SBendtrans-97.3122.6177.5-178.2-113.2000110.1T59Y57-T59 PolarHBondContact O-N 3.38Å; Y57-T59 VanDerWaalsContact O-N 3.09Å
58R72.2Confident66.2Low217 Ų217111.1 Ų111.182%0.81957%0.567SS**SBendtrans6011.5179.2-60.2-179177.2-152.9-0.2115.9
59T72.6Confident67.5Low96 Ų96112.4 Ų112.459%0.58957%0.566SS**SBendtrans-114.9156170.456.50000109.4A56 Y57A56-T59 VanDerWaalsContact CB-OG1 3.3Å; A56-T59 WeakPolarHBondContact CB-OG1 3.31Å; Y57-T59 PolarHBondContact O-N 3.38Å; Y57-T59 VanDerWaalsContact O-N 3.09Å
60G65.6Low68.7Low66 Ų66114.3 Ų114.368%0.6857%0.569SS**  trans-56.6147.8169.600000110A62G60-A62 PolarHBondContact O-N 3.47Å
61Y65.5Low70.3Confident136 Ų136116.8 Ų116.853%0.53358%0.577SS.*  trans-55.2109.9-179.9-166.9-99.5000109.4G63Y61-G63 VanDerWaalsContact C-N 3.3Å; Y61-G63 WeakPolarHBondContact CD1-O 3.45Å; Y61-G63 WeakPolarHBondContact CE1-O 3.28Å
62A59.6Low71.8Confident95 Ų95110.8 Ų110.879%0.78555%0.552SS**  trans-82-10.6-173.100000112.9G60G60-A62 PolarHBondContact O-N 3.47Å
63G63.7Low72.9Confident22 Ų22108.2 Ų108.223%0.22755%0.547CS..SBendtrans-78.9145.2174.100000111.7Y61Y61-G63 VanDerWaalsContact C-N 3.3Å; Y61-G63 WeakPolarHBondContact CD1-O 3.45Å; Y61-G63 WeakPolarHBondContact CE1-O 3.28Å
64E63.8Low74Confident153 Ų153108 Ų10872%0.71555%0.548SS*.PPolyproline II helixtrans-63.9127.3163.3-67.9-159.5153.200108.4H66E64-H66 PolarHBondContact O-N 3.21Å
65P67.8Low75.1Confident67 Ų67110.9 Ų110.944%0.43555%0.551SS.*PPolyproline II helixtrans-57142.6171.625.3-33.2000108.4K67P65-K67 PolarHBondContact O-N 2.92Å; P65-K67 VanDerWaalsContact O-N 3.08Å
66H73.9Confident76.3Confident132 Ų132109.2 Ų109.261%0.61154%0.54SS*.PPolyproline II helixtrans-49123.9-177.1-168-78.8000109.3E64 F68 D69 R70E64-H66 PolarHBondContact O-N 3.21Å; H66-F68 WeakPolarHBondContact ND1-CB 3.22Å; H66-F68 PolarHBondContact ND1-N 3.3Å; H66-F68 CarbonylContact O-C 3.59Å; H66-F68 PolarHBondContact O-N 2.99Å; H66-D69 HydrophobicContact CB-CB 4.17Å; H66-D69 WeakPolarHBondContact O-CA 3.39Å; H66-D69 WeakPolarHBondContact O-CB 3.12Å; H66-D69 PolarHBondContact O-N 3.29Å; H66-R70 PolarHBondContact O-N 2.95Å; H66-R70 VanDerWaalsContact O-N 3.08Å
67K80.2Confident77.6Confident162 Ų162112.1 Ų112.170%0.70455%0.549SS*.Hα-helixtrans-52.9-35.3-169.4-65.9-175.2179.9-178.50112.5P65 L71P65-K67 PolarHBondContact O-N 2.92Å; P65-K67 VanDerWaalsContact O-N 3.08Å; K67-L71 WeakPolarHBondContact O-CB 3.21Å; K67-L71 PolarHBondContact O-N 3.25Å
68F85.1Confident78.8Confident137 Ų137106.2 Ų106.260%0.60153%0.533SS*.Hα-helixtrans-65.8-42.5174.4-172.5-100.8000113.4H66 L71 V72H66-F68 WeakPolarHBondContact ND1-CB 3.22Å; H66-F68 PolarHBondContact ND1-N 3.3Å; H66-F68 CarbonylContact O-C 3.59Å; H66-F68 PolarHBondContact O-N 2.99Å; F68-L71 WeakPolarHBondContact O-CB 3.36Å; F68-L71 PolarHBondContact O-N 2.88Å; F68-L71 VanDerWaalsContact O-N 3.16Å; F68-V72 HydrophobicContact CD1-CG2 4Å; F68-V72 HydrophobicContact CD2-CG2 4.48Å; F68-V72 HydrophobicContact CE1-CG2 3.58Å; F68-V72 HydrophobicContact CE2-CG2 4.1Å; F68-V72 HydrophobicContact CG-CG2 4.44Å; F68-V72 HydrophobicContact CZ-CG2 3.64Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 3.44Å
69D82.5Confident79.9Confident88 Ų8897.9 Ų97.947%0.47152%0.515SS..Hα-helixtrans-64.7-44179.2-170.128.4000110.5H66 L71 V72 T73H66-D69 HydrophobicContact CB-CB 4.17Å; H66-D69 WeakPolarHBondContact O-CA 3.39Å; H66-D69 WeakPolarHBondContact O-CB 3.12Å; H66-D69 PolarHBondContact O-N 3.29Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 2.71Å; D69-V72 PolarHBondContact O-N 2.91Å; D69-T73 WeakPolarHBondContact O-CB 3.22Å; D69-T73 PolarHBondContact O-N 3.49Å; D69-T73 PolarHBondContact O-OG1 3.44Å
70R81.2Confident81Confident125 Ų12599.5 Ų99.547%0.47252%0.519SS..Hα-helixtrans-59-40.1171.6-177.2176.1172.1173.3-1.2112.1H66 K74H66-R70 PolarHBondContact O-N 2.95Å; H66-R70 VanDerWaalsContact O-N 3.08Å; R70-K74 WeakPolarHBondContact O-CB 3.18Å; R70-K74 PolarHBondContact O-N 3.35Å
71L89Confident82.4Confident74 Ų74101.7 Ų101.739%0.38751%0.51SS..Hα-helixtrans-65.4-47.7179.4-170.694.4000111.4K67 F68 D69 Y75 Y76K67-L71 WeakPolarHBondContact O-CB 3.21Å; K67-L71 PolarHBondContact O-N 3.25Å; F68-L71 WeakPolarHBondContact O-CB 3.36Å; F68-L71 PolarHBondContact O-N 2.88Å; F68-L71 VanDerWaalsContact O-N 3.16Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 2.71Å; L71-Y75 HydrophobicContact CD1-CD2 4.24Å; L71-Y75 WeakPolarHBondContact O-CB 3.26Å; L71-Y75 PolarHBondContact O-N 3.4Å; L71-Y75 VanDerWaalsContact O-N 3.13Å; L71-Y76 HydrophobicContact CD2-CD2 4.32Å; L71-Y76 HydrophobicContact CD2-CE2 3.59Å; L71-Y76 HydrophobicContact CG-CD2 4.29Å; L71-Y76 HydrophobicContact CG-CE2 3.87Å; L71-Y76 PolarHBondContact O-N 2.86Å
72V91.6Very high83.8Confident43 Ų43102.6 Ų102.626%0.26151%0.512SS..Iπ-helixtrans-66.5-54.7-178173.30000111.2F68 D69 Y76 I77F68-V72 HydrophobicContact CD1-CG2 4Å; F68-V72 HydrophobicContact CD2-CG2 4.48Å; F68-V72 HydrophobicContact CE1-CG2 3.58Å; F68-V72 HydrophobicContact CE2-CG2 4.1Å; F68-V72 HydrophobicContact CG-CG2 4.44Å; F68-V72 HydrophobicContact CZ-CG2 3.64Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 3.44Å; D69-V72 PolarHBondContact O-N 2.91Å; V72-Y76 WeakPolarHBondContact O-CB 3.45Å; V72-Y76 PolarHBondContact O-N 3.47Å; V72-I77 HydrophobicContact CG1-CD1 4.1Å; V72-I77 HydrophobicContact CG1-CG1 4.31Å; V72-I77 WeakPolarHBondContact O-CG1 3.47Å; V72-I77 PolarHBondContact O-N 3.31Å
73T87.1Confident85.6Confident69 Ų69100 Ų10042%0.42350%0.495SS..Iπ-helixtrans-67.8-48.9-176.552.50000111.8D69 I77 S78D69-T73 WeakPolarHBondContact O-CB 3.22Å; D69-T73 PolarHBondContact O-N 3.49Å; D69-T73 PolarHBondContact O-OG1 3.44Å; T73-I77 HydrophobicContact CG2-CD1 4.47Å; T73-S78 PolarHBondContact O-N 2.82Å
74K84.6Confident87Confident116 Ų116105.6 Ų105.650%0.50451%0.51SS..Iπ-helixtrans-77-36.9-171.4-162.1175.6-177.4174.80113.5R70 S78R70-K74 WeakPolarHBondContact O-CB 3.18Å; R70-K74 PolarHBondContact O-N 3.35Å; K74-S78 WeakPolarHBondContact O-CB 3.19Å
75Y88.8Confident88.5Confident134 Ų134102.6 Ų102.653%0.52550%0.497SS..Iπ-helixtrans-106.2-49.7-174.1-58.9-68.6000112.6L71 G79L71-Y75 HydrophobicContact CD1-CD2 4.24Å; L71-Y75 WeakPolarHBondContact O-CB 3.26Å; L71-Y75 PolarHBondContact O-N 3.4Å; L71-Y75 VanDerWaalsContact O-N 3.13Å; Y75-G79 VanDerWaalsContact O-CA 3.27Å; Y75-G79 WeakPolarHBondContact O-CA 3.35Å; Y75-G79 PolarHBondContact O-N 3.32Å
76Y93Very high89.8Confident145 Ų145104.6 Ų104.657%0.56950%0.504SS*.Iπ-helixtrans-74.6-52.1-174.7-72.6-70.5000112.6L71 V72 L80L71-Y76 HydrophobicContact CD2-CD2 4.32Å; L71-Y76 HydrophobicContact CD2-CE2 3.59Å; L71-Y76 HydrophobicContact CG-CD2 4.29Å; L71-Y76 HydrophobicContact CG-CE2 3.87Å; L71-Y76 PolarHBondContact O-N 2.86Å; V72-Y76 WeakPolarHBondContact O-CB 3.45Å; V72-Y76 PolarHBondContact O-N 3.47Å; Y76-L80 VanDerWaalsContact O-CB 3.24Å; Y76-L80 WeakPolarHBondContact O-CB 3.24Å; Y76-L80 WeakPolarHBondContact O-CG 3.45Å; Y76-L80 PolarHBondContact O-N 2.92Å
77I94.2Very high90.8Very high102 Ų102104.2 Ų104.252%0.52350%0.498SS..Iπ-helixtrans-67.7-50.2-177.9-63176.6000110V72 T73 G79 L80 F81V72-I77 HydrophobicContact CG1-CD1 4.1Å; V72-I77 HydrophobicContact CG1-CG1 4.31Å; V72-I77 WeakPolarHBondContact O-CG1 3.47Å; V72-I77 PolarHBondContact O-N 3.31Å; T73-I77 HydrophobicContact CG2-CD1 4.47Å; I77-G79 PolarHBondContact O-N 3.35Å; I77-L80 PolarHBondContact O-N 3.44Å; I77-F81 VanDerWaalsContact O-CB 3.26Å; I77-F81 WeakPolarHBondContact O-CB 3.42Å; I77-F81 PolarHBondContact O-N 3.17Å
78S93.4Very high91.4Very high51 Ų51100.7 Ų100.736%0.35748%0.48SS..Hα-helixtrans-59.9-44.6177.2-173.80000112.1T73 K74 F81 W82T73-S78 PolarHBondContact O-N 2.82Å; K74-S78 WeakPolarHBondContact O-CB 3.19Å; S78-F81 PolarHBondContact O-N 3.29Å; S78-W82 PolarHBondContact O-N 3.26Å
79G94.3Very high91.7Very high42 Ų4298.3 Ų98.343%0.43347%0.473SS..Hα-helixtrans-66.5-41.8179.900000112.9Y75 I77 G83Y75-G79 VanDerWaalsContact O-CA 3.27Å; Y75-G79 WeakPolarHBondContact O-CA 3.35Å; Y75-G79 PolarHBondContact O-N 3.32Å; I77-G79 PolarHBondContact O-N 3.35Å; G79-G83 WeakPolarHBondContact O-CA 3.45Å; G79-G83 PolarHBondContact O-N 2.93Å
80L96.3Very high92.1Very high130 Ų130102.3 Ų102.368%0.68148%0.483SS*.Hα-helixtrans-64.9-41.6173.6-86.5164.2000111.7Y76 I77 Y84Y76-L80 VanDerWaalsContact O-CB 3.24Å; Y76-L80 WeakPolarHBondContact O-CB 3.24Å; Y76-L80 WeakPolarHBondContact O-CG 3.45Å; Y76-L80 PolarHBondContact O-N 2.92Å; I77-L80 PolarHBondContact O-N 3.44Å; L80-Y84 WeakPolarHBondContact O-CB 3.35Å; L80-Y84 PolarHBondContact O-N 3.4Å
81F95.7Very high92.6Very high112 Ų112102.9 Ų102.949%0.49149%0.486SS..Hα-helixtrans-61.6-52.6178.6178.5-98.9000111.3I77 S78 Y84 M85I77-F81 VanDerWaalsContact O-CB 3.26Å; I77-F81 WeakPolarHBondContact O-CB 3.42Å; I77-F81 PolarHBondContact O-N 3.17Å; S78-F81 PolarHBondContact O-N 3.29Å; F81-Y84 PolarHBondContact O-N 2.93Å; F81-M85 HydrophobicContact CE1-CE 4.42Å; F81-M85 HydrophobicContact CE1-CG 4.18Å; F81-M85 HydrophobicContact CE2-CE 3.58Å; F81-M85 HydrophobicContact CE2-CG 4.47Å; F81-M85 HydrophobicContact CZ-CE 3.52Å; F81-M85 HydrophobicContact CZ-CG 4.16Å; F81-M85 WeakPolarHBondContact O-CG 3.48Å; F81-M85 PolarHBondContact O-N 3.42Å
82W94.9Very high92.6Very high155 Ų155101.6 Ų101.659%0.58748%0.479SS*.Hα-helixtrans-68.1-39.3178.6-80.6107.6000112.9S78 Y84 M85 L86S78-W82 PolarHBondContact O-N 3.26Å; W82-Y84 VanDerWaalsContact C-N 3.3Å; W82-Y84 PolarHBondContact O-N 2.87Å; W82-M85 PolarHBondContact O-N 3.35Å; W82-L86 WeakPolarHBondContact O-CB 3.41Å; W82-L86 WeakPolarHBondContact O-CG 3.17Å; W82-L86 PolarHBondContact O-N 2.9Å
83G95.5Very high92.3Very high40 Ų40104.2 Ų104.241%0.41249%0.485SS..Hα-helixtrans-60.4-41.2174.400000111.8G79 Y87G79-G83 WeakPolarHBondContact O-CA 3.45Å; G79-G83 PolarHBondContact O-N 2.93Å; G83-Y87 WeakPolarHBondContact O-CB 3.34Å; G83-Y87 PolarHBondContact O-N 3.22Å
84Y95.1Very high92.1Very high140 Ų140103.9 Ų103.955%0.54948%0.48SS..Hα-helixtrans-68.4-43.3175.5-177.6-100.7000112.2L80 F81 W82 L86 Y87 R88L80-Y84 WeakPolarHBondContact O-CB 3.35Å; L80-Y84 PolarHBondContact O-N 3.4Å; F81-Y84 PolarHBondContact O-N 2.93Å; W82-Y84 VanDerWaalsContact C-N 3.3Å; W82-Y84 PolarHBondContact O-N 2.87Å; Y84-L86 VanDerWaalsContact C-N 3.35Å; Y84-L86 PolarHBondContact O-N 2.88Å; Y84-Y87 PolarHBondContact O-N 3.35Å; Y84-R88 WeakPolarHBondContact O-CB 3.26Å; Y84-R88 PolarHBondContact O-N 3.45Å
85M94.3Very high91.8Very high91 Ų91105.4 Ų105.445%0.44849%0.488SS..Hα-helixtrans-60.7-44.1176.9-74.3-61.9-175.600111.7F81 W82 R88 L89F81-M85 HydrophobicContact CE1-CE 4.42Å; F81-M85 HydrophobicContact CE1-CG 4.18Å; F81-M85 HydrophobicContact CE2-CE 3.58Å; F81-M85 HydrophobicContact CE2-CG 4.47Å; F81-M85 HydrophobicContact CZ-CE 3.52Å; F81-M85 HydrophobicContact CZ-CG 4.16Å; F81-M85 WeakPolarHBondContact O-CG 3.48Å; F81-M85 PolarHBondContact O-N 3.42Å; W82-M85 PolarHBondContact O-N 3.35Å; M85-R88 PolarHBondContact O-N 3.26Å; M85-L89 VanDerWaalsContact O-CB 3.29Å; M85-L89 WeakPolarHBondContact O-CB 3.27Å; M85-L89 PolarHBondContact O-N 3.15Å
86L95Very high91.5Very high108 Ų108104.1 Ų104.157%0.56549%0.494SS*.Hα-helixtrans-68.9-40176.8-69.8173.3000112.4W82 Y84 R88 L89 Y90W82-L86 WeakPolarHBondContact O-CB 3.41Å; W82-L86 WeakPolarHBondContact O-CG 3.17Å; W82-L86 PolarHBondContact O-N 2.9Å; Y84-L86 VanDerWaalsContact C-N 3.35Å; Y84-L86 PolarHBondContact O-N 2.88Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-R88 PolarHBondContact O-N 3.28Å; L86-L89 PolarHBondContact O-N 3.22Å; L86-Y90 WeakPolarHBondContact O-CB 3.44Å; L86-Y90 PolarHBondContact O-N 2.91Å
87Y95Very high91Very high125 Ų125103.5 Ų103.549%0.4950%0.5SS..Hα-helixtrans-57.5-47.5172.8170.8-91.5000110.5G83 Y84 Y90 Y91G83-Y87 WeakPolarHBondContact O-CB 3.34Å; G83-Y87 PolarHBondContact O-N 3.22Å; Y84-Y87 PolarHBondContact O-N 3.35Å; Y87-Y90 PolarHBondContact O-N 3.47Å; Y87-Y91 HydrophobicContact CD1-CD2 4.35Å; Y87-Y91 AromaticContact CD2-CD2 3.65Å; Y87-Y91 HydrophobicContact CD2-CD2 3.65Å; Y87-Y91 AromaticContact CD2-CE2 3.48Å; Y87-Y91 HydrophobicContact CD2-CE2 3.48Å; Y87-Y91 VanDerWaalsContact CD2-CE2 3.48Å; Y87-Y91 HydrophobicContact CE1-CD2 4.1Å; Y87-Y91 AromaticContact CE2-CD2 3.39Å; Y87-Y91 HydrophobicContact CE2-CD2 3.39Å; Y87-Y91 AromaticContact CE2-CE2 3.13Å; Y87-Y91 HydrophobicContact CE2-CE2 3.13Å; Y87-Y91 HydrophobicContact CG-CD2 4.13Å; Y87-Y91 HydrophobicContact CG-CE2 4.39Å; Y87-Y91 AromaticContact CZ-CD2 3.61Å; Y87-Y91 AromaticContact CZ-CE2 3.79Å; Y87-Y91 VanDerWaalsContact O-CD2 3.31Å; Y87-Y91 WeakPolarHBondContact O-CD2 3.4Å; Y87-Y91 PolarHBondContact O-N 3.33Å; Y87-Y91 VanDerWaalsContact O-N 3.12Å
88R92.7Very high90Very high88 Ų88100.7 Ų100.733%0.33250%0.496SS..Hα-helixtrans-70.8-38.6-176.8-160.151.6170.2153.610.3112.1Y84 M85 L86 Y90 D92 E95Y84-R88 WeakPolarHBondContact O-CB 3.26Å; Y84-R88 PolarHBondContact O-N 3.45Å; M85-R88 PolarHBondContact O-N 3.26Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-R88 PolarHBondContact O-N 3.28Å; R88-Y90 VanDerWaalsContact C-N 3.3Å; R88-Y90 PolarHBondContact O-N 3.21Å; R88-D92 IonicContact CZ-OD1 2.73Å; R88-D92 IonicContact CZ-OD2 2.63Å; R88-D92 IonicContact NE-OD2 3.55Å; R88-D92 IonicContact NH1-OD1 3.99Å; R88-D92 PolarHBondContact NH1-OD1 3.36Å; R88-D92 IonicContact NH1-OD2 3.83Å; R88-D92 PolarHBondContact NH1-OD2 3.13Å; R88-D92 IonicContact NH2-OD2 2.73Å; R88-D92 PolarHBondContact NH2-OD2 3.03Å; R88-D92 CarbonylContact O-C 3.16Å; R88-D92 WeakPolarHBondContact O-CA 3.45Å; R88-D92 PolarHBondContact O-N 3.16Å; R88-E95 IonicContact NH2-OE1 2.86Å
89L91.9Very high89.3Confident86 Ų86103.1 Ų103.145%0.4550%0.502SS..Hα-helixtrans-59.6-40.8170.4-167.186.6000111.3M85 L86 Y93 V96M85-L89 VanDerWaalsContact O-CB 3.29Å; M85-L89 WeakPolarHBondContact O-CB 3.27Å; M85-L89 PolarHBondContact O-N 3.15Å; L86-L89 PolarHBondContact O-N 3.22Å; L89-Y93 VanDerWaalsContact O-CA 3.28Å; L89-Y93 WeakPolarHBondContact O-CA 3Å; L89-Y93 WeakPolarHBondContact O-CB 3.48Å; L89-Y93 PolarHBondContact O-N 2.9Å; L89-Y93 VanDerWaalsContact O-N 3.12Å; L89-V96 HydrophobicContact CD1-CG2 4.24Å
90Y90.9Very high88.3Confident173 Ų173104.7 Ų104.768%0.67850%0.504SS*.Hα-helixtrans-68.1-44.1-177.9-178.6-98.7000112.9L86 Y87 R88L86-Y90 WeakPolarHBondContact O-CB 3.44Å; L86-Y90 PolarHBondContact O-N 2.91Å; Y87-Y90 PolarHBondContact O-N 3.47Å; R88-Y90 VanDerWaalsContact C-N 3.3Å; R88-Y90 PolarHBondContact O-N 3.21Å
91Y90.9Very high87.2Confident137 Ų137105.9 Ų105.954%0.53751%0.506SS..Hα-helixtrans-83.1-35.1-177.2-74.2-73.9000113.3Y87Y87-Y91 HydrophobicContact CD1-CD2 4.35Å; Y87-Y91 AromaticContact CD2-CD2 3.65Å; Y87-Y91 HydrophobicContact CD2-CD2 3.65Å; Y87-Y91 AromaticContact CD2-CE2 3.48Å; Y87-Y91 HydrophobicContact CD2-CE2 3.48Å; Y87-Y91 VanDerWaalsContact CD2-CE2 3.48Å; Y87-Y91 HydrophobicContact CE1-CD2 4.1Å; Y87-Y91 AromaticContact CE2-CD2 3.39Å; Y87-Y91 HydrophobicContact CE2-CD2 3.39Å; Y87-Y91 AromaticContact CE2-CE2 3.13Å; Y87-Y91 HydrophobicContact CE2-CE2 3.13Å; Y87-Y91 HydrophobicContact CG-CD2 4.13Å; Y87-Y91 HydrophobicContact CG-CE2 4.39Å; Y87-Y91 AromaticContact CZ-CD2 3.61Å; Y87-Y91 AromaticContact CZ-CE2 3.79Å; Y87-Y91 VanDerWaalsContact O-CD2 3.31Å; Y87-Y91 WeakPolarHBondContact O-CD2 3.4Å; Y87-Y91 PolarHBondContact O-N 3.33Å; Y87-Y91 VanDerWaalsContact O-N 3.12Å
92D88.8Confident86.3Confident47 Ų47109.8 Ų109.825%0.25152%0.518SS..  trans-127.543.9-172-66.848.4000110.6R88 M94 E95R88-D92 IonicContact CZ-OD1 2.73Å; R88-D92 IonicContact CZ-OD2 2.63Å; R88-D92 IonicContact NE-OD2 3.55Å; R88-D92 IonicContact NH1-OD1 3.99Å; R88-D92 PolarHBondContact NH1-OD1 3.36Å; R88-D92 IonicContact NH1-OD2 3.83Å; R88-D92 PolarHBondContact NH1-OD2 3.13Å; R88-D92 IonicContact NH2-OD2 2.73Å; R88-D92 PolarHBondContact NH2-OD2 3.03Å; R88-D92 CarbonylContact O-C 3.16Å; R88-D92 WeakPolarHBondContact O-CA 3.45Å; R88-D92 PolarHBondContact O-N 3.16Å; D92-M94 PolarHBondContact O-N 3.08Å; D92-M94 VanDerWaalsContact O-N 3.12Å; D92-E95 PolarHBondContact O-N 3Å
93Y86.7Confident85.5Confident97 Ų97107 Ų10738%0.3852%0.52SS..THydrogen-bonded Turntrans-60-22.3176.272.8-90.2000113L89 E95 V96 I97L89-Y93 VanDerWaalsContact O-CA 3.28Å; L89-Y93 WeakPolarHBondContact O-CA 3Å; L89-Y93 WeakPolarHBondContact O-CB 3.48Å; L89-Y93 PolarHBondContact O-N 2.9Å; L89-Y93 VanDerWaalsContact O-N 3.12Å; Y93-E95 PolarHBondContact O-N 3.23Å; Y93-V96 PolarHBondContact O-N 3.45Å; Y93-I97 HydrophobicContact CD2-CB 4.24Å; Y93-I97 HydrophobicContact CD2-CD1 3.92Å; Y93-I97 HydrophobicContact CD2-CG1 4.34Å; Y93-I97 PolarHBondContact O-N 2.98Å
94M82.4Confident84.7Confident63 Ų63113.1 Ų113.131%0.3154%0.542SS..Hα-helixtrans-58.5-35-179.6-48.6-49.2-168.800112.1D92 V96 G98 E99 P100D92-M94 PolarHBondContact O-N 3.08Å; D92-M94 VanDerWaalsContact O-N 3.12Å; M94-V96 PolarHBondContact O-N 3.08Å; M94-G98 CarbonylContact O-C 3.48Å; M94-G98 VanDerWaalsContact O-CA 3.22Å; M94-G98 WeakPolarHBondContact O-CA 3.39Å; M94-G98 PolarHBondContact O-N 2.77Å; M94-E99 HydrophobicContact CB-CG 4.24Å; M94-P100 HydrophobicContact CE-CG 3.52Å; M94-P100 WeakPolarHBondContact SD-CD 3.38Å; M94-P100 HydrophobicContact SD-CG 3.52Å; M94-P100 VanDerWaalsContact SD-CG 3.52Å
95E79.1Confident83.8Confident147 Ų147110.2 Ų110.269%0.68754%0.54SS*.Hα-helixtrans-64.9-24.6177.3-67.6-178.6179.700112.2R88 D92 Y93R88-E95 IonicContact NH2-OE1 2.86Å; D92-E95 PolarHBondContact O-N 3Å; Y93-E95 PolarHBondContact O-N 3.23Å
96V81.8Confident82.9Confident107 Ų107113.5 Ų113.565%0.64855%0.548SS*.Hα-helixtrans-100.2-43-176-177.20000112.1L89 Y93 M94L89-V96 HydrophobicContact CD1-CG2 4.24Å; Y93-V96 PolarHBondContact O-N 3.45Å; M94-V96 PolarHBondContact O-N 3.08Å
97I83.1Confident81.9Confident133 Ų133115.4 Ų115.468%0.68256%0.558SS**Hα-helixtrans-91-15.7-174.7-59.5-175.4000111.5Y93Y93-I97 HydrophobicContact CD2-CB 4.24Å; Y93-I97 HydrophobicContact CD2-CD1 3.92Å; Y93-I97 HydrophobicContact CD2-CG1 4.34Å; Y93-I97 PolarHBondContact O-N 2.98Å
98G72.7Confident81.1Confident43 Ų43118.2 Ų118.244%0.44358%0.575SS.*  trans97.4146.7-168.300000110.5M94 P100M94-G98 CarbonylContact O-C 3.48Å; M94-G98 VanDerWaalsContact O-CA 3.22Å; M94-G98 WeakPolarHBondContact O-CA 3.39Å; M94-G98 PolarHBondContact O-N 2.77Å; G98-P100 WeakPolarHBondContact O-CD 3.43Å
99E78.6Confident80.3Confident102 Ų102119.5 Ų119.548%0.47759%0.585SS.*  trans-66.3123.4178.1-69.3-179.9-163.800109.7M94 E101 W102M94-E99 HydrophobicContact CB-CG 4.24Å; E99-E101 PolarHBondContact O-N 2.66Å; E99-E101 VanDerWaalsContact O-N 3.14Å; E99-W102 CarbonylContact O-C 3.55Å; E99-W102 PolarHBondContact O-N 3.44Å; E99-W102 PolarHBondContact OE2-NE1 2.92Å
100P72.2Confident79.7Confident75 Ų75119.4 Ų119.449%0.48758%0.581SS.*THydrogen-bonded Turntrans-66.7-15178.925.5-33.1000112.2M94 G98 W102M94-P100 HydrophobicContact CE-CG 3.52Å; M94-P100 WeakPolarHBondContact SD-CD 3.38Å; M94-P100 HydrophobicContact SD-CG 3.52Å; M94-P100 VanDerWaalsContact SD-CG 3.52Å; G98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-W102 PolarHBondContact O-N 2.82Å
101E74.9Confident79.1Confident154 Ų154114.6 Ų114.672%0.7257%0.57SS**THydrogen-bonded Turntrans-66.1-24.7170.9-50-173.9-15700111.8E99 P103E99-E101 PolarHBondContact O-N 2.66Å; E99-E101 VanDerWaalsContact O-N 3.14Å; E101-P103 VanDerWaalsContact O-CD 3.29Å; E101-P103 WeakPolarHBondContact O-CD 3.19Å
102W76.4Confident78.6Confident194 Ų194112.2 Ų112.274%0.73557%0.567SS**SBendtrans-121.864.4-178.1-58.2102.7000111.2E99 P100 L104E99-W102 CarbonylContact O-C 3.55Å; E99-W102 PolarHBondContact O-N 3.44Å; E99-W102 PolarHBondContact OE2-NE1 2.92Å; P100-W102 PolarHBondContact O-N 2.82Å; W102-L104 PolarHBondContact O-N 3.12Å
103P78.6Confident78.1Confident97 Ų97118.5 Ų118.563%0.6359%0.594SS**  trans-61.4132.6177.127.9-33000109.4E101 P105E101-P103 VanDerWaalsContact O-CD 3.29Å; E101-P103 WeakPolarHBondContact O-CD 3.19Å; P103-P105 WeakPolarHBondContact O-CD 3.39Å; P103-P105 VanDerWaalsContact O-N 3.07Å
104L78.1Confident77.9Confident169 Ų169120.7 Ų120.789%0.88561%0.608SS**  trans-57.9114172.3-83.4154.9000108.7W102W102-L104 PolarHBondContact O-N 3.12Å
105P76.2Confident77.9Confident78 Ų78122.6 Ų122.651%0.50662%0.619SS.*  trans-67.9138.8-178.226.7-31.8000109.2P103 L107 F110P103-P105 WeakPolarHBondContact O-CD 3.39Å; P103-P105 VanDerWaalsContact O-N 3.07Å; P105-L107 PolarHBondContact O-N 2.94Å; P105-F110 HydrophobicContact CB-CE2 3.93Å; P105-F110 HydrophobicContact CB-CZ 3.68Å; P105-F110 HydrophobicContact CG-CE2 4.07Å; P105-F110 HydrophobicContact CG-CZ 3.82Å
106R74.6Confident77.9Confident161 Ų161118.5 Ų118.561%0.60862%0.616SS**  trans-73.7123.3172.8-70.1-172.8-70.3-101.9-0.6107.8E108 Q109R106-E108 PolarHBondContact O-N 3.3Å; R106-E108 VanDerWaalsContact O-N 3.1Å; R106-Q109 HydrophobicContact CB-CG 3.94Å; R106-Q109 WeakPolarHBondContact O-CB 3.5Å; R106-Q109 PolarHBondContact O-N 2.79Å
107L75Confident77.7Confident147 Ų147117.4 Ų117.477%0.7761%0.606SS**G310 helixtrans-55.2-32.3-177-65.2166.9000112.8P105 Q109 F110P105-L107 PolarHBondContact O-N 2.94Å; L107-Q109 PolarHBondContact O-N 3.33Å; L107-F110 PolarHBondContact O-N 3.3Å
108E76.8Confident77.3Confident185 Ų185115 Ų11586%0.86460%0.599SS**G310 helixtrans-68.8-12.5178-60.4169-172.900114.2R106R106-E108 PolarHBondContact O-N 3.3Å; R106-E108 VanDerWaalsContact O-N 3.1Å
109Q76.9Confident77.4Confident114 Ų114118.4 Ų118.453%0.53361%0.607SS.*G310 helixtrans-87.1-17.7179.3-66.3-177.9-52.400113R106 L107 T111R106-Q109 HydrophobicContact CB-CG 3.94Å; R106-Q109 WeakPolarHBondContact O-CB 3.5Å; R106-Q109 PolarHBondContact O-N 2.79Å; L107-Q109 PolarHBondContact O-N 3.33Å; Q109-T111 PolarHBondContact O-N 3.04Å
110F78.5Confident77Confident84 Ų84121.4 Ų121.437%0.36863%0.626SS.*SBendtrans-75.5124.6174.6-62.8-67.8000108.6P105 L107 L115P105-F110 HydrophobicContact CB-CE2 3.93Å; P105-F110 HydrophobicContact CB-CZ 3.68Å; P105-F110 HydrophobicContact CG-CE2 4.07Å; P105-F110 HydrophobicContact CG-CZ 3.82Å; L107-F110 PolarHBondContact O-N 3.3Å; F110-L115 HydrophobicContact CB-CD1 3.24Å; F110-L115 HydrophobicContact CG-CD1 4.19Å
111T77.8Confident76.7Confident72 Ų72125.8 Ų125.844%0.44265%0.645SS.*  trans-75.2151178.659.90000109.8Q109 E113 E114 L115Q109-T111 PolarHBondContact O-N 3.04Å; T111-E113 PolarHBondContact O-N 3.46Å; T111-E113 VanDerWaalsContact O-N 3.15Å; T111-E114 PolarHBondContact O-N 3.48Å; T111-E114 PolarHBondContact OG1-N 2.96Å; T111-L115 PolarHBondContact O-N 3.48Å
112D81.6Confident76.2Confident88 Ų88122.1 Ų122.147%0.47164%0.637SS.*Hα-helixtrans-57.8-29.1176.2-68.8-35.6000111.9L115 G116 I117D112-L115 CarbonylContact O-C 3.58Å; D112-L115 PolarHBondContact O-N 3.32Å; D112-G116 PolarHBondContact O-N 2.77Å; D112-I117 HydrophobicContact CB-CB 4.1Å; D112-I117 PolarHBondContact O-N 2.97Å
113E78.2Confident75.2Confident178 Ų178116.1 Ų116.183%0.83262%0.622SS**Hα-helixtrans-64.2-41.2172.8-162.1179.2-163.700112.8T111 G116T111-E113 PolarHBondContact O-N 3.46Å; T111-E113 VanDerWaalsContact O-N 3.15Å; E113-G116 PolarHBondContact O-N 3.37Å
114E82.9Confident74.1Confident143 Ų143115.4 Ų115.467%0.66862%0.624SS**Hα-helixtrans-72-32.3174-74.4-174.8174.200112.3T111 G116T111-E114 PolarHBondContact O-N 3.48Å; T111-E114 PolarHBondContact OG1-N 2.96Å; E114-G116 VanDerWaalsContact C-N 3.26Å; E114-G116 PolarHBondContact O-N 3.09Å
115L81.8Confident73.4Confident103 Ų103112.8 Ų112.854%0.53962%0.617SS.*Hα-helixtrans-77.4-9.8174.7-93.389.7000113.5F110 T111 D112 I117F110-L115 HydrophobicContact CB-CD1 3.24Å; F110-L115 HydrophobicContact CG-CD1 4.19Å; T111-L115 PolarHBondContact O-N 3.48Å; D112-L115 CarbonylContact O-C 3.58Å; D112-L115 PolarHBondContact O-N 3.32Å; L115-I117 HydrophobicContact CB-CD1 3.81Å; L115-I117 HydrophobicContact CB-CG1 3.92Å; L115-I117 HydrophobicContact CD2-CD1 3.74Å; L115-I117 HydrophobicContact CG-CD1 4.39Å; L115-I117 PolarHBondContact O-N 2.91Å
116G78.5Confident72.3Confident61 Ų61117.3 Ų117.363%0.62962%0.624SS**THydrogen-bonded Turntrans63.124.8-173.500000113D112 E113 E114 P118D112-G116 PolarHBondContact O-N 2.77Å; E113-G116 PolarHBondContact O-N 3.37Å; E114-G116 VanDerWaalsContact C-N 3.26Å; E114-G116 PolarHBondContact O-N 3.09Å; G116-P118 VanDerWaalsContact O-CD 3.32Å; G116-P118 WeakPolarHBondContact O-CD 3.42Å
117I78.7Confident71.2Confident84 Ų84116.2 Ų116.243%0.43163%0.629SS.*  trans-78.5113.4170.9-64.6165.2000105.7D112 L115D112-I117 HydrophobicContact CB-CB 4.1Å; D112-I117 PolarHBondContact O-N 2.97Å; L115-I117 HydrophobicContact CB-CD1 3.81Å; L115-I117 HydrophobicContact CB-CG1 3.92Å; L115-I117 HydrophobicContact CD2-CD1 3.74Å; L115-I117 HydrophobicContact CG-CD1 4.39Å; L115-I117 PolarHBondContact O-N 2.91Å
118P73.9Confident70.2Confident84 Ų84118.8 Ų118.855%0.54563%0.63SS.*  trans-67138.218026.5-31.3000109.8G116 D120G116-P118 VanDerWaalsContact O-CD 3.32Å; G116-P118 WeakPolarHBondContact O-CD 3.42Å; P118-D120 PolarHBondContact O-N 2.87Å
119D74.3Confident69Low114 Ų114113.5 Ų113.561%0.6163%0.626SS**  trans-55129.6168.7-75.2-29.4000108.9D121 S122D119-D121 PolarHBondContact O-N 3.2Å; D119-S122 WeakPolarHBondContact O-CB 3.39Å; D119-S122 PolarHBondContact O-N 3.01Å; D119-S122 PolarHBondContact O-OG 3.15Å
120D71.1Confident67.8Low165 Ų165111.4 Ų111.488%0.88263%0.628SS**THydrogen-bonded Turntrans-55-23.6-178.2-86.7-23.5000112.7P118P118-D120 PolarHBondContact O-N 2.87Å
121D65.7Low66.3Low166 Ų166111.5 Ų111.589%0.88864%0.644SS**THydrogen-bonded Turntrans-90-12179.2-66.7-27.7000114.2D119D119-D121 PolarHBondContact O-N 3.2Å
122S64.5Low64.6Low78 Ų78114.6 Ų114.655%0.54566%0.663SS.*THydrogen-bonded Turntrans-83.6-21.1-17469.20000114.1D119D119-S122 WeakPolarHBondContact O-CB 3.39Å; D119-S122 PolarHBondContact O-N 3.01Å; D119-S122 PolarHBondContact O-OG 3.15Å
123V55.5Low62.7Low68 Ų68120.9 Ų120.941%0.41270%0.704SS.*SBendtrans-122.8109.7179.2-178.90000107.9
124A56.2Low62Low82 Ų82118.1 Ų118.168%0.67870%0.698SS**  trans-46.7131.9171.900000109.3R126A124-R126 PolarHBondContact O-N 2.83Å
125P62.4Low60.9Low114 Ų114116.7 Ų116.774%0.7470%0.699SS**  trans-52117.5-173.317.6-30000108.6L127P125-L127 PolarHBondContact O-N 3.12Å
126R53.8Low59.7Low172 Ų172117.5 Ų117.565%0.64971%0.708SS**  trans-61.3111.8173.7-61.8-179.5-170.1-130.63.6105.2A124 Y128A124-R126 PolarHBondContact O-N 2.83Å; R126-Y128 HydrophobicContact CB-CD2 3.72Å; R126-Y128 HydrophobicContact CB-CE2 3.31Å; R126-Y128 WeakPolarHBondContact CD-OH 3.41Å; R126-Y128 HydrophobicContact CG-CE2 4.13Å; R126-Y128 VanDerWaalsContact O-CD2 3.26Å; R126-Y128 WeakPolarHBondContact O-CD2 3.3Å; R126-Y128 PolarHBondContact O-N 2.8Å
127L51.6Low58.6Low138 Ų138120.8 Ų120.872%0.72371%0.713SS**  trans-66.476175.9-67.8173000108.9P125 G129 A130P125-L127 PolarHBondContact O-N 3.12Å; L127-G129 PolarHBondContact O-N 2.82Å; L127-A130 HydrophobicContact CB-CB 3.93Å; L127-A130 HydrophobicContact CD1-CB 3.8Å; L127-A130 HydrophobicContact CD2-CB 4.48Å; L127-A130 HydrophobicContact CG-CB 4.29Å
128Y52.6Low57.3Low201 Ų201123.1 Ų123.179%0.78873%0.73SS**THydrogen-bonded Turntrans-7369.9162.2-62.1-74.7000107.1R126R126-Y128 HydrophobicContact CB-CD2 3.72Å; R126-Y128 HydrophobicContact CB-CE2 3.31Å; R126-Y128 WeakPolarHBondContact CD-OH 3.41Å; R126-Y128 HydrophobicContact CG-CE2 4.13Å; R126-Y128 VanDerWaalsContact O-CD2 3.26Å; R126-Y128 WeakPolarHBondContact O-CD2 3.3Å; R126-Y128 PolarHBondContact O-N 2.8Å
129G51.9Low56.2Low74 Ų74125.7 Ų125.776%0.76374%0.743SS**THydrogen-bonded Turntrans164.4-14.7-178.400000116.7L127 A131L127-G129 PolarHBondContact O-N 2.82Å; G129-A131 PolarHBondContact O-N 2.94Å
130A52Low54.9Low71 Ų71126.6 Ų126.659%0.58775%0.752SS**  trans-101.656.7176.700000111.2L127L127-A130 HydrophobicContact CB-CB 3.93Å; L127-A130 HydrophobicContact CD1-CB 3.8Å; L127-A130 HydrophobicContact CD2-CB 4.48Å; L127-A130 HydrophobicContact CG-CB 4.29Å
131A46.3Very low53.7Low86 Ų86123.6 Ų123.671%0.71174%0.742SS**  trans-94.7114164.900000108.5G129G129-A131 PolarHBondContact O-N 2.94Å
132V42.1Very low52.7Low137 Ų137120.1 Ų120.183%0.8373%0.73SS**  trans5495.5138.9-169.30000116.9
133V43.5Very low51.6Low220 Ų220123.9 Ų123.9100%1.33375%0.747SS**  trans-147.80132.1-177.40000108.4

Retrieved 133 of 133 residues in 218.8 ms (Link to these results)