A0A096NIZ5_PAPAN Loading...

Centromere protein Q

AlphaFold DB , UniProt , Accession A0A096NIZ5, Species PAPAN (Papio anubis, Olive baboon), Gene CENPQ, Length 268 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M41.3Very low37.8Very low244 Ų244152.4 Ų152.4100%1.20287%0.869SS**  01270-67.7-158.384.500109.4
2S39.9Very low37.7Very low127 Ų127156 Ų15689%0.88887%0.868SS**  trans157.9107.7142.2-169.80000107.5
3G35.9Very low37.5Very low69 Ų69157.2 Ų157.271%0.71186%0.863SS**  trans-97.7161.4172.900000111.4
4K41.1Very low37.3Very low219 Ų219156.1 Ų156.195%0.95285%0.849SS**  trans-164.3128.3143.6-114.5166.6-177.5175.10113.2
5A37.8Very low37.1Very low86 Ų86157.6 Ų157.671%0.71185%0.854SS**  trans-30.7139.7173.200000121.8
6N38.1Very low37Very low165 Ų165159.4 Ų159.488%0.88285%0.852SS**  35.4127.2125.1-60.9-21.8000121.8
7A35.2Very low36.7Very low106 Ų106164.1 Ų164.188%0.87686%0.855SS**  trans-153.5120.6135.600000111.3
8S40.2Very low36.8Very low115 Ų115163.6 Ų163.680%0.80485%0.853SS**  trans-81.1140.1174.744.50000111.4
9K37.7Very low37.1Very low202 Ų202161.2 Ų161.288%0.87885%0.849SS**  trans-137.7102.1160.5-80.2-173.6178.4174.10110.7
10K37.4Very low37Very low183 Ų183162.4 Ų162.480%0.79685%0.846SS**  trans-72.3134.4158.4-78.5176.4173.5175.90108.2
11N31.3Very low36.8Very low160 Ų160164.2 Ų164.286%0.85684%0.842SS**  trans-127.2110.2158-76-24.6000108.6
12F36.6Very low36.3Very low196 Ų196161.5 Ų161.586%0.8682%0.824SS**  trans-102.8124.9164-98.1-90.7000106.7
13E34.6Very low35.8Very low171 Ų171163.7 Ų163.780%0.79982%0.817SS**  trans-167.9138.5165.6-108.4178.7167.900107
14Q34.9Very low35.4Very low143 Ų143166 Ų16667%0.66881%0.813SS**  cis-165.2121.7-5.1-138.4172.835.700105.9
15L34.1Very low34.7Very low178 Ų178162.3 Ų162.393%0.93280%0.804SS**  trans-78.5114.9170.4-102135.8000108.9
16K35.9Very low34.3Very low186 Ų186165.4 Ų165.481%0.80980%0.804SS**PPolyproline II helixtrans-89.7118.5170.2-74.7-158.2176.1-175.80111.2
17R32.4Very low33.7Very low240 Ų240165.4 Ų165.491%0.90680%0.798SS**PPolyproline II helixtrans-85.1150.2170.3-94.6177.1168.9164.5-3.1111.6
18N38.3Very low33.6Very low154 Ų154166.1 Ų166.182%0.82479%0.792SS**PPolyproline II helixtrans-58.9172.7177.8-55.3-61.9000116.3
19P43.2Very low33.1Very low119 Ų119166.9 Ų166.977%0.77379%0.791SS**  -135.9129.312630.1-13.3000112.9
20K34.1Very low32.7Very low184 Ų184164.3 Ų164.380%0.879%0.786SS**  53.4136.993.2-91-176179.5171.90113.9
21R32.3Very low32.7Very low202 Ų202161.6 Ų161.676%0.76279%0.79SS**  cis178.4163.24.5-163.8178.7-177.2163.73108.7
22K31.4Very low32.5Very low186 Ų186161.3 Ų161.381%0.80978%0.784SS**  trans92.3148.7154.7-62.9-166.1179-175.40118
23K30Very low32.2Very low173 Ų173161.1 Ų161.175%0.75278%0.783SS**  cis-179.7138.6-32-125.1-165.3174.1-150.40106.2
24D27.6Very low31.9Very low118 Ų118162.5 Ų162.563%0.63179%0.786SS**  trans51.9147144.3-58.9-22.4000124.5
25N26.6Very low31.5Very low142 Ų142160.9 Ų160.976%0.75979%0.786SS**  trans79.9151.7156.2-68.46.4000118.5
26E28Very low31.4Very low151 Ų151164.4 Ų164.471%0.70679%0.787SS**  cis176156.2-15.6-175.3166.2-155.700103.7
27E25.8Very low31Very low164 Ų164161.6 Ų161.677%0.76678%0.78SS**  trans63.2115.1166.3-86.1-179.1140.400120.1
28V34Very low31Very low121 Ų121157 Ų15773%0.73378%0.779SS**  60.3113.792.1-178.80000112.2
29V28Very low30.7Very low131 Ų131155.2 Ų155.279%0.79477%0.774SS**  -176.6132.1120.4154.30000108.8
30L30.7Very low30.5Very low148 Ų148159.6 Ų159.678%0.77578%0.781SS**  trans-61.6148.9177.6-66.4148.3000111.8
31S36.2Very low30.4Very low126 Ų126160.5 Ų160.588%0.88178%0.779SS**  trans-134.499.6153.4-68.70000108.2
32E27.8Very low30.5Very low155 Ų155158.9 Ų158.972%0.72479%0.785SS**  trans-66.1164.2170-63.6179.7133.600112
33K29.6Very low30.7Very low191 Ų191158.2 Ų158.283%0.8378%0.783SS**  trans87.9124.5164.4-55.5164.5-175.4172.10112.7
34K28.6Very low30.9Very low200 Ų200156.2 Ų156.287%0.8778%0.78SS**  cis-157.7116.839.7-172.4170.3-177.6174.70109.7
35V27.7Very low31.2Very low110 Ų110159 Ų15967%0.66779%0.789SS**  trans-62.8129.2165.4170.90000109.1N37V35-N37 HydrophobicContact CG1-CB 4.49Å; V35-N37 VanDerWaalsContact CG1-CG 3.43Å; V35-N37 WeakPolarHBondContact CG1-OD1 3.43Å
36R30.5Very low31.6Very low251 Ų251160.6 Ų160.695%0.94780%0.797SS**  trans-118102.4156.4-140.1179.4-168.4-176.63107.6
37N29.3Very low31.9Very low127 Ų127162 Ų16268%0.67980%0.801SS**  trans-71130.5175.8-68.4-40000110.1V35V35-N37 HydrophobicContact CG1-CB 4.49Å; V35-N37 VanDerWaalsContact CG1-CG 3.43Å; V35-N37 WeakPolarHBondContact CG1-OD1 3.43Å
38T32.2Very low32.1Very low144 Ų144159.7 Ų159.788%0.88379%0.793SS**  trans-123.597.2148.8520000108.1
39V30.7Very low32.2Very low117 Ų117162.9 Ų162.971%0.70981%0.805SS**  trans-67.5121.6169.4169.90000108.6
40K39.1Very low32.5Very low211 Ų211161.8 Ų161.892%0.91780%0.804SS**  trans-128.2105146-93.7-172.9176.2-179.80108.6
41R32.8Very low32.9Very low202 Ų202160.3 Ų160.376%0.76281%0.805SS**  trans-46.6142.6162-90.6172.6147.2104.7-4.1110.1
42N33.3Very low33Very low168 Ų168163.5 Ų163.590%0.89881%0.806SS**  trans-148.9134.2130.2-83.1-26.1000109.3
43K37Very low33.2Very low173 Ų173158.8 Ų158.875%0.75280%0.799SS**  trans-78.4132.5-170-99.3172.9165.3176.90112
44N34.3Very low33.8Very low131 Ų131158.1 Ų158.170%0.70180%0.799SS**  49117.2128.3-49.7-6.3000120.1
45H33.7Very low34.3Very low176 Ų176153.9 Ų153.982%0.81579%0.79SS**  -179.4111.1104.2-117.8-83.3000110.7
46L35.3Very low35.2Very low176 Ų176157.7 Ų157.792%0.92180%0.798SS**  trans-177.398.5131.6-121.385.4000106.7
47K33.7Very low35.7Very low181 Ų181152.7 Ų152.779%0.78779%0.785SS**  trans-97.6134.5169.6-119.2-178.4170.4-178.40108.1
48D29.7Very low36.5Very low115 Ų115151.8 Ų151.862%0.61578%0.784SS**  trans67.489.8142.2-57.9-24.5000118.6
49L35.9Very low37.2Very low188 Ų188153 Ų15398%0.98479%0.785SS**  -130.569126.7-69.9177.2000108.4
50S35Very low38.6Very low108 Ų108154.2 Ų154.276%0.75579%0.786SS**  trans-100.796.5164.3-177.30000107.3E52S50-E52 PolarHBondContact O-N 3.39Å
51S37.9Very low39.8Very low116 Ų116153.6 Ų153.681%0.81178%0.784SS**  trans-60.9126.5175.3-176.70000110.2G53S51-G53 PolarHBondContact O-N 3.05Å; S51-G53 VanDerWaalsContact O-N 3.13Å
52E38.8Very low41.2Very low194 Ų194152.5 Ų152.591%0.90779%0.788SS**  trans-6899.2174.2-169.3145.6-168.600109.2S50S50-E52 PolarHBondContact O-N 3.39Å
53G31.5Very low42.7Very low55 Ų55151.3 Ų151.357%0.56778%0.78SS**  trans-138.475178.100000109.2S51 T55S51-G53 PolarHBondContact O-N 3.05Å; S51-G53 VanDerWaalsContact O-N 3.13Å; G53-T55 PolarHBondContact O-N 2.97Å
54Q43.4Very low44Very low178 Ų178152.7 Ų152.783%0.83279%0.785SS**  trans-63.491-180-153.6178.738.300110
55T38.7Very low45.6Very low110 Ų110150.3 Ų150.368%0.67577%0.772SS**  trans-107106.6169.640.40000109.1G53 H57G53-T55 PolarHBondContact O-N 2.97Å; T55-H57 PolarHBondContact O-N 3.41Å
56K47Very low47.5Very low191 Ų191144.2 Ų144.283%0.8375%0.752SS**  trans-71.166.2175.7-63.1178.6-178.8176.40110.3
57H39.9Very low49Very low146 Ų146140.6 Ų140.668%0.67674%0.739SS**  trans-111.3115.4173.3-67.8-58.4000110.3T55T55-H57 PolarHBondContact O-N 3.41Å
58T46.8Very low50.7Low107 Ų107137.5 Ų137.566%0.65673%0.731SS**  trans46.4108.915655.20000116.4L60T58-L60 PolarHBondContact O-N 3.33Å
59N47.4Very low52.6Low171 Ų171138.9 Ų138.991%0.91473%0.732SS**  trans-61.279.2163.7-65.2-66.6000110.1K61N59-K61 PolarHBondContact O-N 2.91Å; N59-K61 VanDerWaalsContact O-N 3.11Å
60L59.8Low54.2Low141 Ų141137.5 Ų137.574%0.73871%0.713SS**  trans-64.9111.8169-70.4173.4000106.5T58 Q62T58-L60 PolarHBondContact O-N 3.33Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 3.42Å
61K63.5Low55.8Low198 Ų198140.4 Ų140.486%0.86171%0.713SS**  trans-57.4101.2171.3-70.7-177.8179.4179.20107.4N59 I63N59-K61 PolarHBondContact O-N 2.91Å; N59-K61 VanDerWaalsContact O-N 3.11Å; K61-I63 PolarHBondContact O-N 3.34Å
62Q63.1Low57.6Low180 Ų180139 Ų13984%0.84170%0.699SS**  trans-67.7101.8173.5-68.7-174.76.800107.5L60 K64L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 3.42Å; Q62-K64 PolarHBondContact O-N 2.93Å
63I64.6Low59.7Low143 Ų143132.2 Ų132.273%0.73367%0.665SS**  trans-72.3101.3174.8-57.7172.3000106.3K61 I65K61-I63 PolarHBondContact O-N 3.34Å; I63-I65 HydrophobicContact CG2-CG1 4.13Å; I63-I65 PolarHBondContact O-N 2.81Å
64K64.6Low62Low201 Ų201135.2 Ų135.287%0.87466%0.664SS**  trans-66.899.6169.5-91.9-176.7176.4176.70108.5Q62Q62-K64 PolarHBondContact O-N 2.93Å
65I67.8Low63.9Low81 Ų81130.6 Ų130.642%0.41565%0.65SS.*  trans-78.2127.7174.4-57177.8000108I63 K69 W73I63-I65 HydrophobicContact CG2-CG1 4.13Å; I63-I65 PolarHBondContact O-N 2.81Å; I65-K69 HydrophobicContact CG2-CB 3.84Å; I65-W73 HydrophobicContact CD1-CH2 3.97Å; I65-W73 HydrophobicContact CD1-CZ2 3.62Å
66A72.9Confident65.9Low49 Ų49126.9 Ų126.941%0.40563%0.626SS.*  trans-56.7135.9175.400000110.4N68 K69A66-N68 PolarHBondContact O-N 2.8Å; A66-K69 PolarHBondContact O-N 3.26Å
67P68.1Low67.6Low99 Ų99120.5 Ų120.564%0.64361%0.605SS**Hα-helixtrans-58.3-27.5-173.822.4-33.3000112.9K69 R70P67-K69 VanDerWaalsContact C-N 3.29Å; P67-K69 PolarHBondContact O-N 3.06Å; P67-R70 PolarHBondContact O-N 2.96Å; P67-R70 VanDerWaalsContact O-N 3.14Å
68N69.2Low69.8Low117 Ų117120.8 Ų120.863%0.62661%0.605SS**Hα-helixtrans-64-31.5176.9-61.8-14000112.9A66 R70A66-N68 PolarHBondContact O-N 2.8Å; N68-R70 VanDerWaalsContact C-N 3.35Å
69K68.7Low71.6Confident144 Ų144119.7 Ų119.763%0.62660%0.601SS**Hα-helixtrans-79.3-15.7176.5-63.9-170.8178.4-174.70113.2I65 A66 P67 T72 W73I65-K69 HydrophobicContact CG2-CB 3.84Å; A66-K69 PolarHBondContact O-N 3.26Å; P67-K69 VanDerWaalsContact C-N 3.29Å; P67-K69 PolarHBondContact O-N 3.06Å; K69-T72 PolarHBondContact O-OG1 3.36Å; K69-T72 VanDerWaalsContact O-OG1 3.05Å; K69-W73 PolarHBondContact O-NE1 3.4Å
70R68.8Low73.4Confident158 Ų158114.1 Ų114.160%0.59657%0.574SS**Hα-helixtrans-80.7-17.8176.2-171.3179.7-90.3-171.8-5.6112.2P67 N68 T72 W73P67-R70 PolarHBondContact O-N 2.96Å; P67-R70 VanDerWaalsContact O-N 3.14Å; N68-R70 VanDerWaalsContact C-N 3.35Å; R70-T72 VanDerWaalsContact C-N 3.29Å; R70-T72 PolarHBondContact O-N 2.73Å; R70-W73 HydrophobicContact CG-CD2 4.24Å; R70-W73 HydrophobicContact CG-CE3 4.33Å; R70-W73 HydrophobicContact CG-CG 4.48Å; R70-W73 WeakPolarHBondContact O-CB 3.2Å; R70-W73 PolarHBondContact O-N 3.17Å
71K70.2Confident74.6Confident170 Ų170110.6 Ų110.674%0.73955%0.55SS**THydrogen-bonded Turntrans-69.1-25177.9-64-177.7-179.7-1800113.2W73K71-W73 VanDerWaalsContact C-N 3.32Å
72T75.8Confident75.8Confident86 Ų86105.5 Ų105.553%0.52853%0.532SS..THydrogen-bonded Turntrans-87.50.4177.355.50000113.5K69 R70 P128K69-T72 PolarHBondContact O-OG1 3.36Å; K69-T72 VanDerWaalsContact O-OG1 3.05Å; R70-T72 VanDerWaalsContact C-N 3.29Å; R70-T72 PolarHBondContact O-N 2.73Å; T72-P128 WeakPolarHBondContact O-CD 3.47Å
73W82.8Confident77.1Confident52 Ų52103.9 Ų103.920%0.19752%0.52CS..PPolyproline II helixtrans-77.4131.5-178.8-69.220.6000110.1I65 K69 R70 K71 K125 V126 P127I65-W73 HydrophobicContact CD1-CH2 3.97Å; I65-W73 HydrophobicContact CD1-CZ2 3.62Å; K69-W73 PolarHBondContact O-NE1 3.4Å; R70-W73 HydrophobicContact CG-CD2 4.24Å; R70-W73 HydrophobicContact CG-CE3 4.33Å; R70-W73 HydrophobicContact CG-CG 4.48Å; R70-W73 WeakPolarHBondContact O-CB 3.2Å; R70-W73 PolarHBondContact O-N 3.17Å; K71-W73 VanDerWaalsContact C-N 3.32Å; W73-K125 HydrophobicContact CB-CB 3.84Å; W73-K125 HydrophobicContact CE3-CB 4.22Å; W73-K125 WeakPolarHBondContact CZ3-O 3.23Å; W73-V126 CarbonylContact C-O 3.58Å; W73-V126 WeakPolarHBondContact CA-O 3.34Å; W73-V126 WeakPolarHBondContact CB-O 3.37Å; W73-P127 HydrophobicContact CD2-CG 4.12Å; W73-P127 HydrophobicContact CH2-CG 4.02Å; W73-P127 HydrophobicContact CZ2-CG 3.58Å; W73-P127 HydrophobicContact CZ3-CG 4.48Å
74Q79.5Confident78.3Confident117 Ų117100 Ų10055%0.54750%0.5SS..EExtended strand (participates in β ladder)trans-94.9150.1-178.6-65.3-64.6-29.700109.7V126Q74-V126 PolarHBondContact N-O 3.29Å; Q74-V126 PolarHBondContact O-N 3.3Å
75P82.6Confident79.7Confident82 Ų8293.6 Ų93.653%0.53247%0.473SS..EExtended strand (participates in β ladder)trans-55.5149.6165.3-20.732.6000110.7S77P75-S77 PolarHBondContact O-N 3Å
76L81.4Confident80.9Confident32 Ų3293.9 Ų93.917%0.16848%0.479CS..PPolyproline II helixtrans-56.3133.9177.9-172.563.5000111.3T80 R81 L84 C121 L124 V126L76-T80 WeakPolarHBondContact CD1-OG1 3.25Å; L76-T80 VanDerWaalsContact CG-OG1 3.32Å; L76-T80 WeakPolarHBondContact CG-OG1 3.16Å; L76-R81 HydrophobicContact CB-CG 4.33Å; L76-R81 HydrophobicContact CD2-CG 3.64Å; L76-R81 HydrophobicContact CG-CG 3.9Å; L76-L84 HydrophobicContact CD2-CD1 4.14Å; L76-C121 HydrophobicContact CD2-CB 4.05Å; L76-L124 PolarHBondContact N-O 3.46Å; L76-V126 HydrophobicContact CD1-CG2 4.16Å
77S83.2Confident81.8Confident56 Ų5695.6 Ų95.639%0.39248%0.48SS..PPolyproline II helixtrans-65.7146.3-176.273.20000111.1P75 S79 T80 R81P75-S77 PolarHBondContact O-N 3Å; S77-S79 VanDerWaalsContact C-N 3.31Å; S77-S79 PolarHBondContact O-N 3.36Å; S77-S79 PolarHBondContact OG-OG 3.44Å; S77-S79 VanDerWaalsContact OG-OG 3.1Å; S77-T80 PolarHBondContact N-OG1 3.09Å; S77-T80 PolarHBondContact O-N 3.28Å; S77-T80 VanDerWaalsContact O-N 3.16Å; S77-T80 PolarHBondContact O-OG1 3.25Å; S77-T80 WeakPolarHBondContact OG-CG2 3.48Å; S77-T80 PolarHBondContact OG-N 2.95Å; S77-T80 PolarHBondContact OG-OG1 2.95Å; S77-R81 PolarHBondContact O-N 3.17Å; S77-R81 VanDerWaalsContact O-N 3.11Å
78K85.4Confident82.9Confident153 Ų15392.6 Ų92.667%0.66546%0.457SS*.Hα-helixtrans-52.6-48.7178-69.1176.1-179.6-176.60111.5T80 R81 D82K78-T80 VanDerWaalsContact C-N 3.31Å; K78-T80 PolarHBondContact O-N 3.39Å; K78-R81 WeakPolarHBondContact O-CA 3.34Å; K78-R81 WeakPolarHBondContact O-CB 3.41Å; K78-R81 PolarHBondContact O-N 2.85Å; K78-D82 PolarHBondContact O-N 3.5Å
79S84.4Confident84Confident83 Ų8390.2 Ų90.258%0.5844%0.443SS*.Hα-helixtrans-55.1-40.9178.256.50000114.5S77 Y83S77-S79 VanDerWaalsContact C-N 3.31Å; S77-S79 PolarHBondContact O-N 3.36Å; S77-S79 PolarHBondContact OG-OG 3.44Å; S77-S79 VanDerWaalsContact OG-OG 3.1Å; S79-Y83 WeakPolarHBondContact O-CB 3.49Å; S79-Y83 PolarHBondContact O-N 3.24Å
80T84.4Confident85.2Confident55 Ų5585.9 Ų85.934%0.33743%0.43SS..Hα-helixtrans-73.2-31.5177.352.90000112.4L76 S77 K78 L84L76-T80 WeakPolarHBondContact CD1-OG1 3.25Å; L76-T80 VanDerWaalsContact CG-OG1 3.32Å; L76-T80 WeakPolarHBondContact CG-OG1 3.16Å; S77-T80 PolarHBondContact N-OG1 3.09Å; S77-T80 PolarHBondContact O-N 3.28Å; S77-T80 VanDerWaalsContact O-N 3.16Å; S77-T80 PolarHBondContact O-OG1 3.25Å; S77-T80 WeakPolarHBondContact OG-CG2 3.48Å; S77-T80 PolarHBondContact OG-N 2.95Å; S77-T80 PolarHBondContact OG-OG1 2.95Å; K78-T80 VanDerWaalsContact C-N 3.31Å; K78-T80 PolarHBondContact O-N 3.39Å; T80-L84 WeakPolarHBondContact O-CB 3.41Å; T80-L84 VanDerWaalsContact O-CG 3.24Å; T80-L84 WeakPolarHBondContact O-CG 3.49Å; T80-L84 PolarHBondContact O-N 2.82Å
81R85.6Confident86.3Confident67 Ų6782 Ų8225%0.25342%0.424SS..Hα-helixtrans-67.3-45.6173.4-71-171.4-73.2151.5-5.3111L76 S77 K78 Y83 L84 Q85 E122L76-R81 HydrophobicContact CB-CG 4.33Å; L76-R81 HydrophobicContact CD2-CG 3.64Å; L76-R81 HydrophobicContact CG-CG 3.9Å; S77-R81 PolarHBondContact O-N 3.17Å; S77-R81 VanDerWaalsContact O-N 3.11Å; K78-R81 WeakPolarHBondContact O-CA 3.34Å; K78-R81 WeakPolarHBondContact O-CB 3.41Å; K78-R81 PolarHBondContact O-N 2.85Å; R81-Y83 VanDerWaalsContact C-N 3.34Å; R81-Y83 PolarHBondContact O-N 3.05Å; R81-L84 PolarHBondContact O-N 3.17Å; R81-Q85 WeakPolarHBondContact O-CB 3.41Å; R81-Q85 PolarHBondContact O-N 3.15Å; R81-E122 IonicContact NH1-OE1 3.42Å
82D88.9Confident87.3Confident90 Ų9074.7 Ų74.748%0.48139%0.393SS..Hα-helixtrans-61.3-45.1177.7-57.2-24000110.2K78 L84 Q85 T86K78-D82 PolarHBondContact O-N 3.5Å; D82-L84 PolarHBondContact O-N 3.37Å; D82-Q85 WeakPolarHBondContact O-CB 3.27Å; D82-Q85 PolarHBondContact O-N 3.42Å; D82-T86 PolarHBondContact O-N 2.98Å; D82-T86 PolarHBondContact O-OG1 3.12Å
83Y90.9Very high88Confident146 Ų14673.8 Ų73.857%0.57339%0.39SS*.Hα-helixtrans-59.8-46.2174.6175.4-100.4000112.9S79 R81 Q85 T86 M87S79-Y83 WeakPolarHBondContact O-CB 3.49Å; S79-Y83 PolarHBondContact O-N 3.24Å; R81-Y83 VanDerWaalsContact C-N 3.34Å; R81-Y83 PolarHBondContact O-N 3.05Å; Y83-Q85 VanDerWaalsContact C-N 3.3Å; Y83-Q85 PolarHBondContact O-N 3.39Å; Y83-T86 PolarHBondContact O-N 3.4Å; Y83-M87 HydrophobicContact CD1-CG 4.34Å; Y83-M87 HydrophobicContact CD2-CG 4.46Å; Y83-M87 HydrophobicContact CE1-CG 3.82Å; Y83-M87 HydrophobicContact CE2-CG 3.96Å; Y83-M87 HydrophobicContact CE2-SD 4.47Å; Y83-M87 WeakPolarHBondContact O-CB 3.26Å; Y83-M87 WeakPolarHBondContact O-CG 3.42Å; Y83-M87 PolarHBondContact O-N 2.91Å
84L90.3Very high88.4Confident61 Ų6175.1 Ų75.132%0.31940%0.404SS..Hα-helixtrans-62.1-40176.8-78.4172.6000111.4L76 T80 R81 D82 M87 M88L76-L84 HydrophobicContact CD2-CD1 4.14Å; T80-L84 WeakPolarHBondContact O-CB 3.41Å; T80-L84 VanDerWaalsContact O-CG 3.24Å; T80-L84 WeakPolarHBondContact O-CG 3.49Å; T80-L84 PolarHBondContact O-N 2.82Å; R81-L84 PolarHBondContact O-N 3.17Å; D82-L84 PolarHBondContact O-N 3.37Å; L84-M87 PolarHBondContact O-N 3.44Å; L84-M88 HydrophobicContact CB-CE 4.12Å; L84-M88 VanDerWaalsContact O-CG 3.25Å; L84-M88 WeakPolarHBondContact O-CG 3.31Å; L84-M88 PolarHBondContact O-N 3.29Å
85Q92.1Very high88.8Confident68 Ų6872.3 Ų72.332%0.31839%0.392SS..Hα-helixtrans-62.5-49.1175.1180175-13.600111.2R81 D82 Y83 M87 M88 E89 L118R81-Q85 WeakPolarHBondContact O-CB 3.41Å; R81-Q85 PolarHBondContact O-N 3.15Å; D82-Q85 WeakPolarHBondContact O-CB 3.27Å; D82-Q85 PolarHBondContact O-N 3.42Å; Y83-Q85 VanDerWaalsContact C-N 3.3Å; Y83-Q85 PolarHBondContact O-N 3.39Å; Q85-M87 VanDerWaalsContact C-N 3.32Å; Q85-M87 PolarHBondContact O-N 3.43Å; Q85-M88 PolarHBondContact O-N 2.71Å; Q85-M88 VanDerWaalsContact O-N 3.17Å; Q85-E89 HydrophobicContact CG-CG 4.49Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.32Å; Q85-E89 PolarHBondContact NE2-OE1 3.4Å; Q85-E89 WeakPolarHBondContact O-CB 3.29Å; Q85-E89 WeakPolarHBondContact O-CG 3.48Å; Q85-E89 PolarHBondContact O-N 2.93Å; Q85-L118 HydrophobicContact CB-CD2 4.13Å; Q85-L118 HydrophobicContact CG-CD1 4.3Å
86T93.2Very high89.1Confident87 Ų8769.7 Ų69.753%0.53437%0.374SS..Hα-helixtrans-60.2-40.8177.4-54.90000111.9D82 Y83 E89 S90D82-T86 PolarHBondContact O-N 2.98Å; D82-T86 PolarHBondContact O-OG1 3.12Å; Y83-T86 PolarHBondContact O-N 3.4Å; T86-E89 PolarHBondContact O-N 2.95Å; T86-S90 WeakPolarHBondContact O-CB 3.48Å; T86-S90 PolarHBondContact O-N 3.4Å
87M92.3Very high89.3Confident85 Ų8572.7 Ų72.742%0.41940%0.397SS..Hα-helixtrans-64.5-41.1175.1-79.4-72.5-7000112.4Y83 L84 Q85 S90 V91Y83-M87 HydrophobicContact CD1-CG 4.34Å; Y83-M87 HydrophobicContact CD2-CG 4.46Å; Y83-M87 HydrophobicContact CE1-CG 3.82Å; Y83-M87 HydrophobicContact CE2-CG 3.96Å; Y83-M87 HydrophobicContact CE2-SD 4.47Å; Y83-M87 WeakPolarHBondContact O-CB 3.26Å; Y83-M87 WeakPolarHBondContact O-CG 3.42Å; Y83-M87 PolarHBondContact O-N 2.91Å; L84-M87 PolarHBondContact O-N 3.44Å; Q85-M87 VanDerWaalsContact C-N 3.32Å; Q85-M87 PolarHBondContact O-N 3.43Å; M87-S90 PolarHBondContact O-N 2.88Å; M87-S90 PolarHBondContact O-OG 2.89Å; M87-V91 VanDerWaalsContact O-CG2 3.28Å; M87-V91 WeakPolarHBondContact O-CG2 3.23Å; M87-V91 PolarHBondContact O-N 2.96Å
88M92.3Very high89.3Confident36 Ų3676.2 Ų76.218%0.17741%0.411CS..Hα-helixtrans-65.4-42.5175-70.9173-152.600110.8L84 Q85 S90 V91 I92 K114 L117L84-M88 HydrophobicContact CB-CE 4.12Å; L84-M88 VanDerWaalsContact O-CG 3.25Å; L84-M88 WeakPolarHBondContact O-CG 3.31Å; L84-M88 PolarHBondContact O-N 3.29Å; Q85-M88 PolarHBondContact O-N 2.71Å; Q85-M88 VanDerWaalsContact O-N 3.17Å; M88-S90 VanDerWaalsContact C-N 3.35Å; M88-S90 PolarHBondContact O-N 3.38Å; M88-V91 PolarHBondContact O-N 2.99Å; M88-I92 WeakPolarHBondContact O-CB 3.41Å; M88-I92 WeakPolarHBondContact O-CG1 3.49Å; M88-I92 PolarHBondContact O-N 3.36Å; M88-K114 HydrophobicContact CB-CD 4.49Å; M88-K114 HydrophobicContact CB-CG 4.24Å; M88-K114 HydrophobicContact SD-CG 4.18Å; M88-L117 HydrophobicContact CE-CD2 3.31Å; M88-L117 HydrophobicContact CE-CG 3.91Å; M88-L117 HydrophobicContact SD-CD2 3.81Å; M88-L117 HydrophobicContact SD-CG 4.43Å
89E92.3Very high89Confident67 Ų6776.1 Ų76.131%0.31341%0.407SS..Hα-helixtrans-64.5-37.5178.1-73.6170.5179.900112.3Q85 T86 S93 K114Q85-E89 HydrophobicContact CG-CG 4.49Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.32Å; Q85-E89 PolarHBondContact NE2-OE1 3.4Å; Q85-E89 WeakPolarHBondContact O-CB 3.29Å; Q85-E89 WeakPolarHBondContact O-CG 3.48Å; Q85-E89 PolarHBondContact O-N 2.93Å; T86-E89 PolarHBondContact O-N 2.95Å; E89-S93 WeakPolarHBondContact O-CB 3.39Å; E89-S93 PolarHBondContact O-N 2.92Å; E89-S93 PolarHBondContact O-OG 3.01Å; E89-K114 HydrophobicContact CG-CD 4.03Å; E89-K114 IonicContact OE1-NZ 2.84Å; E89-K114 PolarHBondContact OE1-NZ 2.98Å
90S93.8Very high88.2Confident53 Ų5379.5 Ų79.537%0.37142%0.417SS..Hα-helixtrans-67.9-41174.973.60000112.2T86 M87 M88 S93 T94T86-S90 WeakPolarHBondContact O-CB 3.48Å; T86-S90 PolarHBondContact O-N 3.4Å; M87-S90 PolarHBondContact O-N 2.88Å; M87-S90 PolarHBondContact O-OG 2.89Å; M88-S90 VanDerWaalsContact C-N 3.35Å; M88-S90 PolarHBondContact O-N 3.38Å; S90-S93 PolarHBondContact O-N 3.2Å; S90-T94 WeakPolarHBondContact O-CB 3.35Å; S90-T94 PolarHBondContact O-N 3.37Å; S90-T94 PolarHBondContact O-OG1 3.22Å
91V91.9Very high88Confident75 Ų7584.8 Ų84.846%0.45544%0.435SS..Hα-helixtrans-65.7-44.3175.8170.60000110.9M87 M88 S93 T94 I95M87-V91 VanDerWaalsContact O-CG2 3.28Å; M87-V91 WeakPolarHBondContact O-CG2 3.23Å; M87-V91 PolarHBondContact O-N 2.96Å; M88-V91 PolarHBondContact O-N 2.99Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 3.46Å; V91-T94 PolarHBondContact O-N 3.33Å; V91-I95 HydrophobicContact CG1-CD1 3.7Å; V91-I95 HydrophobicContact CG1-CG1 4.38Å; V91-I95 VanDerWaalsContact O-CG1 3.25Å; V91-I95 WeakPolarHBondContact O-CG1 3.48Å; V91-I95 PolarHBondContact O-N 3.45Å
92I90.3Very high87.6Confident17 Ų1786.8 Ų86.89%0.08745%0.451CS..Hα-helixtrans-58.5-48.1174.7-68.8170.9000109.9M88 T94 I95 L96 L110 K114M88-I92 WeakPolarHBondContact O-CB 3.41Å; M88-I92 WeakPolarHBondContact O-CG1 3.49Å; M88-I92 PolarHBondContact O-N 3.36Å; I92-T94 VanDerWaalsContact C-N 3.32Å; I92-T94 PolarHBondContact O-N 2.93Å; I92-I95 PolarHBondContact O-N 3.45Å; I92-L96 HydrophobicContact CG2-CD1 3.73Å; I92-L96 HydrophobicContact CG2-CG 4.3Å; I92-L96 WeakPolarHBondContact O-CB 3.49Å; I92-L96 VanDerWaalsContact O-CG 3.26Å; I92-L96 WeakPolarHBondContact O-CG 3.36Å; I92-L96 PolarHBondContact O-N 3.47Å; I92-L110 HydrophobicContact CD1-CB 4.14Å; I92-L110 HydrophobicContact CG1-CB 3.99Å; I92-L110 HydrophobicContact CG1-CD1 4.3Å; I92-L110 HydrophobicContact CG2-CB 4.29Å; I92-L110 HydrophobicContact CG2-CD1 4.14Å; I92-K114 HydrophobicContact CD1-CB 4.15Å; I92-K114 HydrophobicContact CD1-CD 4.15Å
93S89.8Confident87.3Confident68 Ų6886.5 Ų86.548%0.47645%0.445SS..Hα-helixtrans-57.9-45.2177.3-58.50000111.3E89 S90 V91 I95 L96 S97E89-S93 WeakPolarHBondContact O-CB 3.39Å; E89-S93 PolarHBondContact O-N 2.92Å; E89-S93 PolarHBondContact O-OG 3.01Å; S90-S93 PolarHBondContact O-N 3.2Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 3.46Å; S93-I95 PolarHBondContact O-N 3.19Å; S93-L96 PolarHBondContact O-N 2.89Å; S93-S97 WeakPolarHBondContact O-CB 3.49Å; S93-S97 PolarHBondContact O-N 3.4Å; S93-S97 PolarHBondContact O-OG 3.14Å
94T92.4Very high87.1Confident79 Ų7986.5 Ų86.549%0.48545%0.451SS..Hα-helixtrans-62.2-42.9178.3-53.90000112.2S90 V91 I92 S97 N98S90-T94 WeakPolarHBondContact O-CB 3.35Å; S90-T94 PolarHBondContact O-N 3.37Å; S90-T94 PolarHBondContact O-OG1 3.22Å; V91-T94 PolarHBondContact O-N 3.33Å; I92-T94 VanDerWaalsContact C-N 3.32Å; I92-T94 PolarHBondContact O-N 2.93Å; T94-S97 PolarHBondContact O-N 3.25Å; T94-N98 VanDerWaalsContact O-CG 3.3Å; T94-N98 PolarHBondContact O-N 3.4Å; T94-N98 VanDerWaalsContact O-N 3.11Å; T94-N98 PolarHBondContact O-ND2 3.45Å
95I88.4Confident87Confident58 Ų5889.8 Ų89.830%0.29746%0.464SS..Hα-helixtrans-64.7-42178.1-67.9164.9000110.7V91 I92 S93 N98 R99 I106 L110V91-I95 HydrophobicContact CG1-CD1 3.7Å; V91-I95 HydrophobicContact CG1-CG1 4.38Å; V91-I95 VanDerWaalsContact O-CG1 3.25Å; V91-I95 WeakPolarHBondContact O-CG1 3.48Å; V91-I95 PolarHBondContact O-N 3.45Å; I92-I95 PolarHBondContact O-N 3.45Å; S93-I95 PolarHBondContact O-N 3.19Å; I95-N98 PolarHBondContact O-N 3.26Å; I95-R99 PolarHBondContact O-N 3.41Å; I95-I106 HydrophobicContact CG2-CG2 4.39Å; I95-L110 HydrophobicContact CB-CD1 4.35Å; I95-L110 HydrophobicContact CD1-CD1 4.4Å; I95-L110 HydrophobicContact CG2-CD1 4.01Å
96L87.8Confident86.7Confident28 Ų2888.7 Ų88.715%0.14746%0.46CS..Hα-helixtrans-70-33.4178.6-67.2174.1000112.5I92 S93 I106 Q107I92-L96 HydrophobicContact CG2-CD1 3.73Å; I92-L96 HydrophobicContact CG2-CG 4.3Å; I92-L96 WeakPolarHBondContact O-CB 3.49Å; I92-L96 VanDerWaalsContact O-CG 3.26Å; I92-L96 WeakPolarHBondContact O-CG 3.36Å; I92-L96 PolarHBondContact O-N 3.47Å; S93-L96 PolarHBondContact O-N 2.89Å; L96-I106 HydrophobicContact CD2-CB 4.36Å; L96-I106 HydrophobicContact CD2-CG2 4.02Å; L96-Q107 HydrophobicContact CD1-CB 3.97Å; L96-Q107 HydrophobicContact CD1-CG 4.01Å; L96-Q107 HydrophobicContact CD2-CB 3.93Å
97S85.5Confident86.5Confident95 Ų9588.6 Ų88.666%0.66445%0.454SS*.Hα-helixtrans-67.5-35.8173.6-63.60000112.5S93 T94S93-S97 WeakPolarHBondContact O-CB 3.49Å; S93-S97 PolarHBondContact O-N 3.4Å; S93-S97 PolarHBondContact O-OG 3.14Å; T94-S97 PolarHBondContact O-N 3.25Å
98N84.4Confident86.5Confident129 Ų12992 Ų9269%0.6946%0.463SS*.Hα-helixtrans-80.7-14.6-177.3-72.7-18.2000114.4T94 I95T94-N98 VanDerWaalsContact O-CG 3.3Å; T94-N98 PolarHBondContact O-N 3.4Å; T94-N98 VanDerWaalsContact O-N 3.11Å; T94-N98 PolarHBondContact O-ND2 3.45Å; I95-N98 PolarHBondContact O-N 3.26Å
99R79.1Confident86.5Confident152 Ų15296 Ų9657%0.57448%0.481SS*.  trans-110.6135.4-179.7-65.6-158.1-174.3-90.53.4111.4I95 K103I95-R99 PolarHBondContact O-N 3.41Å; R99-K103 WeakPolarHBondContact O-CE 3.28Å
100I67.3Low86.4Confident154 Ų15494.6 Ų94.679%0.7948%0.476SS*.  trans-96.3-25.4-175.4-59171.9000112
101K78.6Confident86.3Confident166 Ų16694.3 Ų94.372%0.72247%0.47SS*.SBendtrans-113153.7-178.6-61.4-177-179.7-176.60111.6K103K101-K103 VanDerWaalsContact C-N 3.33Å; K101-K103 PolarHBondContact O-N 2.99Å
102D79.1Confident86.4Confident108 Ų10896.5 Ų96.558%0.57847%0.473SS*.  trans56.437.2173.5-44.3-34.6000115E104 I106D102-E104 PolarHBondContact O-N 3.49Å; D102-I106 HydrophobicContact CB-CD1 4.47Å; D102-I106 WeakPolarHBondContact O-CB 3.44Å; D102-I106 WeakPolarHBondContact O-CD1 3.49Å; D102-I106 WeakPolarHBondContact O-CG1 3.41Å; D102-I106 PolarHBondContact O-N 2.73Å; D102-I106 VanDerWaalsContact O-N 3.16Å
103K82.2Confident86.4Confident85 Ų85100.7 Ų100.737%0.3750%0.496SS..Hα-helixtrans-61.8-43-176.5-70.8179.8176.2177.40112.3R99 K101 Q107R99-K103 WeakPolarHBondContact O-CE 3.28Å; K101-K103 VanDerWaalsContact C-N 3.33Å; K101-K103 PolarHBondContact O-N 2.99Å; K103-Q107 WeakPolarHBondContact O-CB 3.29Å; K103-Q107 PolarHBondContact O-N 3.32Å
104E85.7Confident86.5Confident145 Ų14598.8 Ų98.868%0.67848%0.479SS*.Hα-helixtrans-64.3-45-177.4-77.965.9-149.800112.5D102 Q107 Y108D102-E104 PolarHBondContact O-N 3.49Å; E104-Q107 PolarHBondContact O-N 3.41Å; E104-Y108 WeakPolarHBondContact O-CB 3.32Å; E104-Y108 PolarHBondContact O-N 3.48Å
105E88Confident86.5Confident130 Ų13099.6 Ų99.661%0.60748%0.48SS*.Hα-helixtrans-67.5-44.3178.5-68.7-177.517600111.3Q107 Y108 H109E105-Q107 VanDerWaalsContact C-N 3.33Å; E105-Q107 PolarHBondContact O-N 3.48Å; E105-Y108 WeakPolarHBondContact O-CB 3.32Å; E105-Y108 PolarHBondContact O-N 3.23Å; E105-H109 PolarHBondContact O-CD2 3.31Å; E105-H109 PolarHBondContact O-N 2.92Å
106I87.4Confident86.6Confident45 Ų45104.2 Ų104.223%0.23149%0.494CS..Hα-helixtrans-62.3-43.8176.6-67.1171.5000110.2I95 L96 D102 Y108 H109 L110I95-I106 HydrophobicContact CG2-CG2 4.39Å; L96-I106 HydrophobicContact CD2-CB 4.36Å; L96-I106 HydrophobicContact CD2-CG2 4.02Å; D102-I106 HydrophobicContact CB-CD1 4.47Å; D102-I106 WeakPolarHBondContact O-CB 3.44Å; D102-I106 WeakPolarHBondContact O-CD1 3.49Å; D102-I106 WeakPolarHBondContact O-CG1 3.41Å; D102-I106 PolarHBondContact O-N 2.73Å; D102-I106 VanDerWaalsContact O-N 3.16Å; I106-Y108 VanDerWaalsContact C-N 3.33Å; I106-Y108 PolarHBondContact O-N 3.42Å; I106-H109 PolarHBondContact O-N 2.88Å; I106-L110 HydrophobicContact CG2-CD1 3.63Å; I106-L110 HydrophobicContact CG2-CG 4.17Å; I106-L110 VanDerWaalsContact O-CB 3.26Å; I106-L110 WeakPolarHBondContact O-CB 3.37Å; I106-L110 WeakPolarHBondContact O-CG 3.18Å; I106-L110 PolarHBondContact O-N 2.91Å
107Q88.7Confident86.7Confident86 Ų86106.3 Ų106.340%0.40251%0.505SS..Hα-helixtrans-61.7-41.2176.2179.3173.3-17.400111.6L96 K103 E104 E105 N111L96-Q107 HydrophobicContact CD1-CB 3.97Å; L96-Q107 HydrophobicContact CD1-CG 4.01Å; L96-Q107 HydrophobicContact CD2-CB 3.93Å; K103-Q107 WeakPolarHBondContact O-CB 3.29Å; K103-Q107 PolarHBondContact O-N 3.32Å; E104-Q107 PolarHBondContact O-N 3.41Å; E105-Q107 VanDerWaalsContact C-N 3.33Å; E105-Q107 PolarHBondContact O-N 3.48Å; Q107-N111 WeakPolarHBondContact CG-ND2 3.32Å; Q107-N111 VanDerWaalsContact O-CB 3.26Å; Q107-N111 WeakPolarHBondContact O-CB 3.39Å; Q107-N111 PolarHBondContact O-N 3.18Å; Q107-N111 PolarHBondContact O-ND2 3.07Å
108Y92.4Very high86.8Confident157 Ų157103.1 Ų103.162%0.61648%0.48SS*.Hα-helixtrans-60.8-51.2176177.4-96.1000111.5E104 E105 I106 L110 N111 F112E104-Y108 WeakPolarHBondContact O-CB 3.32Å; E104-Y108 PolarHBondContact O-N 3.48Å; E105-Y108 WeakPolarHBondContact O-CB 3.32Å; E105-Y108 PolarHBondContact O-N 3.23Å; I106-Y108 VanDerWaalsContact C-N 3.33Å; I106-Y108 PolarHBondContact O-N 3.42Å; Y108-L110 PolarHBondContact O-N 3.3Å; Y108-N111 PolarHBondContact O-N 2.95Å; Y108-F112 WeakPolarHBondContact O-CB 3.44Å; Y108-F112 PolarHBondContact O-N 3.37Å
109H90.9Very high87Confident119 Ų119103.2 Ų103.255%0.55148%0.476SS*.Hα-helixtrans-64.1-40.3179.8-71.4-58.8000112.9E105 I106 F112 L113E105-H109 PolarHBondContact O-CD2 3.31Å; E105-H109 PolarHBondContact O-N 2.92Å; I106-H109 PolarHBondContact O-N 2.88Å; H109-F112 PolarHBondContact O-N 3.43Å; H109-L113 WeakPolarHBondContact O-CB 3.41Å; H109-L113 PolarHBondContact O-N 3.22Å
110L91.2Very high87.3Confident38 Ų38100.7 Ų100.720%0.19947%0.474CS..Hα-helixtrans-67-41177.2-73.6176.8000112.1I92 I95 I106 Y108 L113 K114I92-L110 HydrophobicContact CD1-CB 4.14Å; I92-L110 HydrophobicContact CG1-CB 3.99Å; I92-L110 HydrophobicContact CG1-CD1 4.3Å; I92-L110 HydrophobicContact CG2-CB 4.29Å; I92-L110 HydrophobicContact CG2-CD1 4.14Å; I95-L110 HydrophobicContact CB-CD1 4.35Å; I95-L110 HydrophobicContact CD1-CD1 4.4Å; I95-L110 HydrophobicContact CG2-CD1 4.01Å; I106-L110 HydrophobicContact CG2-CD1 3.63Å; I106-L110 HydrophobicContact CG2-CG 4.17Å; I106-L110 VanDerWaalsContact O-CB 3.26Å; I106-L110 WeakPolarHBondContact O-CB 3.37Å; I106-L110 WeakPolarHBondContact O-CG 3.18Å; I106-L110 PolarHBondContact O-N 2.91Å; Y108-L110 PolarHBondContact O-N 3.3Å; L110-L113 PolarHBondContact O-N 3.43Å; L110-K114 WeakPolarHBondContact O-CB 3.46Å; L110-K114 PolarHBondContact O-N 2.69Å
111N91.9Very high88.1Confident47 Ų4794 Ų9425%0.25144%0.441SS..Hα-helixtrans-68.2-36.7175.4-80.6-43.5000112.3Q107 Y108 L113 K114 N115Q107-N111 WeakPolarHBondContact CG-ND2 3.32Å; Q107-N111 VanDerWaalsContact O-CB 3.26Å; Q107-N111 WeakPolarHBondContact O-CB 3.39Å; Q107-N111 PolarHBondContact O-N 3.18Å; Q107-N111 PolarHBondContact O-ND2 3.07Å; Y108-N111 PolarHBondContact O-N 2.95Å; N111-L113 VanDerWaalsContact C-N 3.35Å; N111-K114 WeakPolarHBondContact O-CB 3.49Å; N111-K114 PolarHBondContact O-N 3.33Å; N111-N115 WeakPolarHBondContact O-CB 3.3Å; N111-N115 VanDerWaalsContact O-CG 3.24Å; N111-N115 PolarHBondContact O-N 3.16Å; N111-N115 PolarHBondContact O-ND2 3.09Å
112F92.6Very high88.3Confident120 Ų12091.7 Ų91.753%0.52643%0.432SS..Hα-helixtrans-61.3-45.2173-178.2-98.1000111.4Y108 H109 N115 R116Y108-F112 WeakPolarHBondContact O-CB 3.44Å; Y108-F112 PolarHBondContact O-N 3.37Å; H109-F112 PolarHBondContact O-N 3.43Å; F112-N115 PolarHBondContact O-N 3.33Å; F112-R116 WeakPolarHBondContact O-CB 3.39Å; F112-R116 PolarHBondContact O-N 3.09Å
113L91.4Very high88.5Confident106 Ų10691.6 Ų91.656%0.55544%0.436SS*.Hα-helixtrans-63-43.4175.8-176.262.3000111.8H109 L110 N111 R116 L117H109-L113 WeakPolarHBondContact O-CB 3.41Å; H109-L113 PolarHBondContact O-N 3.22Å; L110-L113 PolarHBondContact O-N 3.43Å; N111-L113 VanDerWaalsContact C-N 3.35Å; L113-R116 PolarHBondContact O-N 2.73Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 3.31Å
114K92.1Very high88.5Confident28 Ų2891.9 Ų91.912%0.12244%0.441CS..Hα-helixtrans-53.6-55.2174.1-174.9-174.480.9171.40110.7M88 E89 I92 L110 N111 R116 L117 L118M88-K114 HydrophobicContact CB-CD 4.49Å; M88-K114 HydrophobicContact CB-CG 4.24Å; M88-K114 HydrophobicContact SD-CG 4.18Å; E89-K114 HydrophobicContact CG-CD 4.03Å; E89-K114 IonicContact OE1-NZ 2.84Å; E89-K114 PolarHBondContact OE1-NZ 2.98Å; I92-K114 HydrophobicContact CD1-CB 4.15Å; I92-K114 HydrophobicContact CD1-CD 4.15Å; L110-K114 WeakPolarHBondContact O-CB 3.46Å; L110-K114 PolarHBondContact O-N 2.69Å; N111-K114 WeakPolarHBondContact O-CB 3.49Å; N111-K114 PolarHBondContact O-N 3.33Å; K114-R116 PolarHBondContact O-N 2.96Å; K114-L117 PolarHBondContact O-N 2.84Å; K114-L118 HydrophobicContact CD-CD1 4.49Å; K114-L118 HydrophobicContact CG-CD1 3.97Å; K114-L118 HydrophobicContact CG-CG 4.45Å; K114-L118 VanDerWaalsContact O-CG 3.32Å; K114-L118 WeakPolarHBondContact O-CG 3.43Å; K114-L118 PolarHBondContact O-N 2.78Å
115N91.6Very high88.4Confident96 Ų9690.8 Ų90.851%0.51343%0.434SS..Hα-helixtrans-62.3-42.4-176.7-68.5-15.3000111.9N111 F112 L117 L118 Q119N111-N115 WeakPolarHBondContact O-CB 3.3Å; N111-N115 VanDerWaalsContact O-CG 3.24Å; N111-N115 PolarHBondContact O-N 3.16Å; N111-N115 PolarHBondContact O-ND2 3.09Å; F112-N115 PolarHBondContact O-N 3.33Å; N115-L117 VanDerWaalsContact C-N 3.35Å; N115-L117 PolarHBondContact O-N 3.42Å; N115-L118 PolarHBondContact O-N 2.96Å; N115-Q119 WeakPolarHBondContact O-CB 3.34Å; N115-Q119 PolarHBondContact O-N 3.26Å
116R91.6Very high88Confident155 Ų15587 Ų8759%0.58542%0.419SS*.Hα-helixtrans-61.6-42.8175.8-178.1177.1177.9178.20.3112.1F112 L113 K114 Q119 L120F112-R116 WeakPolarHBondContact O-CB 3.39Å; F112-R116 PolarHBondContact O-N 3.09Å; L113-R116 PolarHBondContact O-N 2.73Å; K114-R116 PolarHBondContact O-N 2.96Å; R116-Q119 PolarHBondContact O-N 3.19Å; R116-L120 WeakPolarHBondContact O-CG 3.3Å; R116-L120 PolarHBondContact O-N 2.66Å; R116-L120 VanDerWaalsContact O-N 3.17Å
117L88.6Confident87.5Confident72 Ų7288.1 Ų88.138%0.37743%0.429SS..Hα-helixtrans-68.2-42.1179.4-176.458.5000111.4M88 L113 K114 N115 Q119 L120 C121M88-L117 HydrophobicContact CE-CD2 3.31Å; M88-L117 HydrophobicContact CE-CG 3.91Å; M88-L117 HydrophobicContact SD-CD2 3.81Å; M88-L117 HydrophobicContact SD-CG 4.43Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 3.31Å; K114-L117 PolarHBondContact O-N 2.84Å; N115-L117 VanDerWaalsContact C-N 3.35Å; N115-L117 PolarHBondContact O-N 3.42Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; L117-Q119 PolarHBondContact O-N 3.34Å; L117-L120 WeakPolarHBondContact O-CB 3.5Å; L117-L120 PolarHBondContact O-N 2.73Å; L117-L120 VanDerWaalsContact O-N 3.16Å; L117-C121 PolarHBondContact O-N 2.9Å; L117-C121 PolarHBondContact O-SG 2.9Å
118L88.3Confident86.7Confident28 Ų2887.6 Ų87.615%0.14743%0.434CS..Hα-helixtrans-59-43.4175.3-71.2173.6000111.5Q85 K114 N115 L120 C121 E122Q85-L118 HydrophobicContact CB-CD2 4.13Å; Q85-L118 HydrophobicContact CG-CD1 4.3Å; K114-L118 HydrophobicContact CD-CD1 4.49Å; K114-L118 HydrophobicContact CG-CD1 3.97Å; K114-L118 HydrophobicContact CG-CG 4.45Å; K114-L118 VanDerWaalsContact O-CG 3.32Å; K114-L118 WeakPolarHBondContact O-CG 3.43Å; K114-L118 PolarHBondContact O-N 2.78Å; N115-L118 PolarHBondContact O-N 2.96Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.38Å; L118-C121 CarbonylContact O-C 3.45Å; L118-C121 WeakPolarHBondContact O-CA 3.27Å; L118-C121 WeakPolarHBondContact O-CB 3.45Å; L118-C121 PolarHBondContact O-N 3.47Å; L118-C121 VanDerWaalsContact O-N 3.07Å; L118-E122 WeakPolarHBondContact O-CG 3.32Å; L118-E122 PolarHBondContact O-N 3.44Å
119Q87.9Confident85.6Confident130 Ų13088.1 Ų88.161%0.60744%0.439SS*.Hα-helixtrans-61.7-38.1176.3-168.1179.59.400112.6N115 R116 L117 E122N115-Q119 WeakPolarHBondContact O-CB 3.34Å; N115-Q119 PolarHBondContact O-N 3.26Å; R116-Q119 PolarHBondContact O-N 3.19Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; L117-Q119 PolarHBondContact O-N 3.34Å; Q119-E122 PolarHBondContact O-N 3.11Å
120L86.6Confident84.5Confident100 Ų10090.1 Ų90.152%0.52445%0.446SS..Hα-helixtrans-66.8-39.6172.6-69.4173.2000111.5R116 L117 L118 E122 T123 L124R116-L120 WeakPolarHBondContact O-CG 3.3Å; R116-L120 PolarHBondContact O-N 2.66Å; R116-L120 VanDerWaalsContact O-N 3.17Å; L117-L120 WeakPolarHBondContact O-CB 3.5Å; L117-L120 PolarHBondContact O-N 2.73Å; L117-L120 VanDerWaalsContact O-N 3.16Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.38Å; L120-E122 VanDerWaalsContact C-N 3.27Å; L120-E122 PolarHBondContact O-N 2.84Å; L120-T123 PolarHBondContact O-N 2.82Å; L120-T123 PolarHBondContact O-OG1 2.99Å; L120-T123 VanDerWaalsContact O-OG1 3.1Å; L120-L124 WeakPolarHBondContact O-CB 3.37Å; L120-L124 PolarHBondContact O-N 3.39Å
121C83.6Confident83.2Confident14 Ų1495.6 Ų95.610%0.09547%0.472CS..Hα-helixtrans-64.7-27.5176.5-70.40000113.4L76 L117 L118L76-C121 HydrophobicContact CD2-CB 4.05Å; L117-C121 PolarHBondContact O-N 2.9Å; L117-C121 PolarHBondContact O-SG 2.9Å; L118-C121 CarbonylContact O-C 3.45Å; L118-C121 WeakPolarHBondContact O-CA 3.27Å; L118-C121 WeakPolarHBondContact O-CB 3.45Å; L118-C121 PolarHBondContact O-N 3.47Å; L118-C121 VanDerWaalsContact O-N 3.07Å
122E82.7Confident82.2Confident116 Ų116100.2 Ų100.254%0.54249%0.493SS..Hα-helixtrans-69.4-38174.4-71.1-178.6161.500113.1R81 L118 Q119 L120R81-E122 IonicContact NH1-OE1 3.42Å; L118-E122 WeakPolarHBondContact O-CG 3.32Å; L118-E122 PolarHBondContact O-N 3.44Å; Q119-E122 PolarHBondContact O-N 3.11Å; L120-E122 VanDerWaalsContact C-N 3.27Å; L120-E122 PolarHBondContact O-N 2.84Å
123T82.6Confident81.1Confident106 Ų10699.7 Ų99.765%0.6550%0.496SS*.Hα-helixtrans-86.2-12.2179.160.10000112.8L120 K125L120-T123 PolarHBondContact O-N 2.82Å; L120-T123 PolarHBondContact O-OG1 2.99Å; L120-T123 VanDerWaalsContact O-OG1 3.1Å; T123-K125 PolarHBondContact O-N 2.78Å
124L83.3Confident80.2Confident91 Ų9199.7 Ų99.748%0.47650%0.496SS..  trans-71.9115-179.5-172.165.1000111L76 L120 V126L76-L124 PolarHBondContact N-O 3.46Å; L120-L124 WeakPolarHBondContact O-CB 3.37Å; L120-L124 PolarHBondContact O-N 3.39Å; L124-V126 HydrophobicContact CD2-CG2 4.2Å; L124-V126 HydrophobicContact CG-CG2 4.05Å
125K82.8Confident79.6Confident122 Ų122102.5 Ų102.553%0.5352%0.515SS..EExtended strand (participates in β ladder)trans-86135.4168.3-60.2-173.9-179.3-175.40108.8W73 T123W73-K125 HydrophobicContact CB-CB 3.84Å; W73-K125 HydrophobicContact CE3-CB 4.22Å; W73-K125 WeakPolarHBondContact CZ3-O 3.23Å; T123-K125 PolarHBondContact O-N 2.78Å
126V79.2Confident79.2Confident51 Ų51101.1 Ų101.131%0.30951%0.508SS..EExtended strand (participates in β ladder)trans-124.3144.8-177.6-1750000108.9W73 Q74 L76 L124W73-V126 CarbonylContact C-O 3.58Å; W73-V126 WeakPolarHBondContact CA-O 3.34Å; W73-V126 WeakPolarHBondContact CB-O 3.37Å; Q74-V126 PolarHBondContact N-O 3.29Å; Q74-V126 PolarHBondContact O-N 3.3Å; L76-V126 HydrophobicContact CD1-CG2 4.16Å; L124-V126 HydrophobicContact CD2-CG2 4.2Å; L124-V126 HydrophobicContact CG-CG2 4.05Å
127P78.4Confident79Confident68 Ų6898.1 Ų98.144%0.44251%0.506SS..PPolyproline II helixtrans-51.9139.3170.5-24.431000111.6W73 K129W73-P127 HydrophobicContact CD2-CG 4.12Å; W73-P127 HydrophobicContact CH2-CG 4.02Å; W73-P127 HydrophobicContact CZ2-CG 3.58Å; W73-P127 HydrophobicContact CZ3-CG 4.48Å; P127-K129 PolarHBondContact O-N 3.34Å
128P71.1Confident79Confident75 Ų7597.4 Ų97.449%0.48751%0.507SS..PPolyproline II helixtrans-62127177.224.9-32.1000110.1T72 K130T72-P128 WeakPolarHBondContact O-CD 3.47Å; P128-K130 PolarHBondContact O-N 3.5Å
129K69.4Low79.1Confident168 Ų168104.3 Ų104.373%0.7353%0.531SS*.PPolyproline II helixtrans-70.4126.7179.7-167.3174.7-177.3179.40109.3P127 M131P127-K129 PolarHBondContact O-N 3.34Å; K129-M131 PolarHBondContact O-N 2.93Å
130K66.8Low79.3Confident162 Ų162102.5 Ų102.570%0.70453%0.525SS*.  trans-69.8109169.2-63.9-175.3179.4-174.70107.6P128 E132P128-K130 PolarHBondContact O-N 3.5Å; K130-E132 PolarHBondContact O-N 3.38Å
131M64.8Low79.6Confident152 Ų152102.5 Ų102.575%0.74953%0.525SS*.THydrogen-bonded Turntrans-71.9-13.8-175.5-62.9-155.7-15600113.7K129 D133 L134 T135K129-M131 PolarHBondContact O-N 2.93Å; M131-D133 VanDerWaalsContact C-N 3.26Å; M131-D133 PolarHBondContact O-N 3.01Å; M131-L134 WeakPolarHBondContact O-CB 3.26Å; M131-L134 PolarHBondContact O-N 3.29Å; M131-T135 PolarHBondContact O-N 2.86Å; M131-T135 PolarHBondContact O-OG1 3.19Å
132E70.3Confident80.1Confident144 Ų144106.4 Ų106.467%0.67355%0.545SS*.Hα-helixtrans-56.1-38.7-178.6-165.8168.7-17000112.7K130 L134 T135 N136K130-E132 PolarHBondContact O-N 3.38Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 2.9Å; E132-T135 WeakPolarHBondContact CA-OG1 3.39Å; E132-T135 PolarHBondContact O-N 2.97Å; E132-T135 PolarHBondContact O-OG1 3.36Å; E132-N136 PolarHBondContact O-N 2.63Å; E132-N136 PolarHBondContact O-ND2 2.94Å; E132-N136 VanDerWaalsContact O-ND2 3.15Å
133D69.4Low80.7Confident110 Ų110105.4 Ų105.459%0.58854%0.542SS*.Hα-helixtrans-64.1-32.8177.2-63-29.6000112.5M131 N136 V137M131-D133 VanDerWaalsContact C-N 3.26Å; M131-D133 PolarHBondContact O-N 3.01Å; D133-N136 PolarHBondContact O-N 3.49Å; D133-V137 WeakPolarHBondContact O-CG2 3.27Å; D133-V137 PolarHBondContact O-N 2.87Å
134L73.9Confident81.2Confident106 Ų106104.2 Ų104.256%0.55553%0.529SS*.Hα-helixtrans-76.5-37.3-178.7-171.363.1000112M131 E132 N136 V137 S138M131-L134 WeakPolarHBondContact O-CB 3.26Å; M131-L134 PolarHBondContact O-N 3.29Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 2.9Å; L134-N136 VanDerWaalsContact C-N 3.25Å; L134-N136 PolarHBondContact O-N 2.98Å; L134-V137 PolarHBondContact O-N 3.42Å; L134-S138 PolarHBondContact O-N 3.28Å
135T78Confident81.8Confident86 Ų86107.1 Ų107.153%0.52853%0.533SS..Hα-helixtrans-62.2-32.9171.120.80000112.5M131 E132 S138 R139M131-T135 PolarHBondContact O-N 2.86Å; M131-T135 PolarHBondContact O-OG1 3.19Å; E132-T135 WeakPolarHBondContact CA-OG1 3.39Å; E132-T135 PolarHBondContact O-N 2.97Å; E132-T135 PolarHBondContact O-OG1 3.36Å; T135-S138 PolarHBondContact O-OG 2.94Å; T135-R139 WeakPolarHBondContact O-CB 3.32Å; T135-R139 PolarHBondContact O-N 3.48Å
136N84.1Confident82.5Confident68 Ų68104.1 Ų104.136%0.36453%0.531SS..Hα-helixtrans-66.4-39.4173.6-71.2-38.8000111.8E132 D133 L134 L140E132-N136 PolarHBondContact O-N 2.63Å; E132-N136 PolarHBondContact O-ND2 2.94Å; E132-N136 VanDerWaalsContact O-ND2 3.15Å; D133-N136 PolarHBondContact O-N 3.49Å; L134-N136 VanDerWaalsContact C-N 3.25Å; L134-N136 PolarHBondContact O-N 2.98Å; N136-L140 WeakPolarHBondContact O-CB 3.39Å; N136-L140 PolarHBondContact O-N 3.22Å
137V87.8Confident83.2Confident91 Ų91107.1 Ų107.155%0.55254%0.537SS*.Hα-helixtrans-67.1-43.1176.7175.20000111.7D133 L134 L140 L141D133-V137 WeakPolarHBondContact O-CG2 3.27Å; D133-V137 PolarHBondContact O-N 2.87Å; L134-V137 PolarHBondContact O-N 3.42Å; V137-L140 PolarHBondContact O-N 3.38Å; V137-L141 PolarHBondContact O-N 2.57Å
138S87.6Confident84.1Confident57 Ų57105.7 Ų105.740%0.39953%0.534SS..Hα-helixtrans-66.5-38.6178.165.30000112.4L134 T135 L141 N142L134-S138 PolarHBondContact O-N 3.28Å; T135-S138 PolarHBondContact O-OG 2.94Å; S138-L141 PolarHBondContact O-N 3.44Å; S138-N142 PolarHBondContact O-N 3.34Å; S138-N142 PolarHBondContact O-ND2 2.95Å
139R90.6Very high85.3Confident174 Ų174107.9 Ų107.966%0.65754%0.536SS*.Hα-helixtrans-61.3-45172.8-174.9179.568178.5-1.6111.6T135 N142 M143T135-R139 WeakPolarHBondContact O-CB 3.32Å; T135-R139 PolarHBondContact O-N 3.48Å; R139-N142 PolarHBondContact O-N 3.05Å; R139-M143 PolarHBondContact O-N 2.94Å
140L92.5Very high86.6Confident91 Ų91102.6 Ų102.648%0.47652%0.524SS..Hα-helixtrans-60.7-46.1177.1-179.559.8000111.1N136 V137 N142 M143 E144N136-L140 WeakPolarHBondContact O-CB 3.39Å; N136-L140 PolarHBondContact O-N 3.22Å; V137-L140 PolarHBondContact O-N 3.38Å; L140-N142 VanDerWaalsContact C-N 3.34Å; L140-N142 PolarHBondContact O-N 2.85Å; L140-M143 HydrophobicContact CD1-CE 3.59Å; L140-M143 PolarHBondContact O-N 3.4Å; L140-E144 HydrophobicContact CD1-CG 4.38Å; L140-E144 WeakPolarHBondContact O-CG 3.3Å; L140-E144 PolarHBondContact O-N 3.26Å
141L93.2Very high88Confident100 Ų10099.4 Ų99.452%0.52452%0.515SS..Hα-helixtrans-58.5-44177.8-178.966.5000112.4V137 S138 E144 R145V137-L141 PolarHBondContact O-N 2.57Å; S138-L141 PolarHBondContact O-N 3.44Å; L141-E144 PolarHBondContact O-N 3.38Å; L141-R145 WeakPolarHBondContact O-CB 3.49Å; L141-R145 PolarHBondContact O-N 3.37Å
142N94.1Very high89.5Confident96 Ų9698.7 Ų98.751%0.51351%0.509SS..Hα-helixtrans-67-38.4178.7-71.7-23.8000112.2S138 R139 L140 R145 A146S138-N142 PolarHBondContact O-N 3.34Å; S138-N142 PolarHBondContact O-ND2 2.95Å; R139-N142 PolarHBondContact O-N 3.05Å; L140-N142 VanDerWaalsContact C-N 3.34Å; L140-N142 PolarHBondContact O-N 2.85Å; N142-R145 PolarHBondContact O-N 2.87Å; N142-A146 PolarHBondContact O-N 3.41Å
143M94.8Very high90.7Very high95 Ų9598.1 Ų98.147%0.46851%0.507SS..Hα-helixtrans-64.1-44.4174.8-175.3-178.865.400111.5R139 L140 R145 A146 R147R139-M143 PolarHBondContact O-N 2.94Å; L140-M143 HydrophobicContact CD1-CE 3.59Å; L140-M143 PolarHBondContact O-N 3.4Å; M143-R145 VanDerWaalsContact C-N 3.34Å; M143-R145 PolarHBondContact O-N 3.18Å; M143-A146 PolarHBondContact O-N 2.71Å; M143-R147 PolarHBondContact O-N 2.96Å
144E93.9Very high92Very high81 Ų8194.3 Ų94.338%0.37949%0.493SS..Hα-helixtrans-63.3-40.1175.8-70.7-53.3140.500111.7L140 L141 A146 R147 G148L140-E144 HydrophobicContact CD1-CG 4.38Å; L140-E144 WeakPolarHBondContact O-CG 3.3Å; L140-E144 PolarHBondContact O-N 3.26Å; L141-E144 PolarHBondContact O-N 3.38Å; E144-A146 PolarHBondContact O-N 3.39Å; E144-R147 PolarHBondContact O-N 3.34Å; E144-R147 IonicContact OE1-CZ 3.52Å; E144-R147 IonicContact OE1-NH1 2.98Å; E144-R147 PolarHBondContact OE1-NH1 2.76Å; E144-R147 IonicContact OE1-NH2 3.74Å; E144-R147 IonicContact OE2-CZ 3.74Å; E144-R147 IonicContact OE2-NH1 3.17Å; E144-R147 PolarHBondContact OE2-NH1 3.3Å; E144-G148 PolarHBondContact O-N 2.87Å
145R95.8Very high93.1Very high153 Ų15394.9 Ų94.958%0.57750%0.496SS*.Hα-helixtrans-63.2-41.9175.5-173-179.3-70.3174.5-3.6112.1L141 N142 M143 G148 K149L141-R145 WeakPolarHBondContact O-CB 3.49Å; L141-R145 PolarHBondContact O-N 3.37Å; N142-R145 PolarHBondContact O-N 2.87Å; M143-R145 VanDerWaalsContact C-N 3.34Å; M143-R145 PolarHBondContact O-N 3.18Å; R145-G148 PolarHBondContact O-N 3.46Å; R145-K149 WeakPolarHBondContact O-CG 3.41Å; R145-K149 PolarHBondContact O-N 3.24Å; R145-K149 VanDerWaalsContact O-N 3.1Å
146A96.3Very high94Very high59 Ų5993.7 Ų93.749%0.48850%0.495SS..Hα-helixtrans-64.2-42.2176.500000111.6N142 M143 E144 G148 K149 A150N142-A146 PolarHBondContact O-N 3.41Å; M143-A146 PolarHBondContact O-N 2.71Å; E144-A146 PolarHBondContact O-N 3.39Å; A146-G148 VanDerWaalsContact C-N 3.35Å; A146-K149 PolarHBondContact O-N 2.91Å; A146-A150 PolarHBondContact O-N 3.44Å; A146-A150 VanDerWaalsContact O-N 3.11Å
147R95.6Very high94.6Very high114 Ų11495.9 Ų95.943%0.4351%0.506SS..Hα-helixtrans-61.5-43173.6-171.5-174.9-61.21455.5111.8M143 E144 K149 A150 N151M143-R147 PolarHBondContact O-N 2.96Å; E144-R147 PolarHBondContact O-N 3.34Å; E144-R147 IonicContact OE1-CZ 3.52Å; E144-R147 IonicContact OE1-NH1 2.98Å; E144-R147 PolarHBondContact OE1-NH1 2.76Å; E144-R147 IonicContact OE1-NH2 3.74Å; E144-R147 IonicContact OE2-CZ 3.74Å; E144-R147 IonicContact OE2-NH1 3.17Å; E144-R147 PolarHBondContact OE2-NH1 3.3Å; R147-K149 VanDerWaalsContact C-N 3.32Å; R147-K149 PolarHBondContact O-N 3.49Å; R147-A150 PolarHBondContact O-N 3.01Å; R147-N151 WeakPolarHBondContact O-CB 3.48Å; R147-N151 PolarHBondContact O-N 3Å; R147-N151 PolarHBondContact O-OD1 3.3Å
148G95.9Very high95.1Very high37 Ų3796.9 Ų96.938%0.38151%0.508SS..Hα-helixtrans-56.4-45.4176.400000112.4E144 R145 A146 N151 E152E144-G148 PolarHBondContact O-N 2.87Å; R145-G148 PolarHBondContact O-N 3.46Å; A146-G148 VanDerWaalsContact C-N 3.35Å; G148-N151 PolarHBondContact O-N 2.94Å; G148-E152 PolarHBondContact O-N 3.48Å
149K96.6Very high95.6Very high122 Ų12299 Ų9953%0.5351%0.511SS..Hα-helixtrans-63.1-47.6176.7-69.7-178.7176.6-165.20112.9R145 A146 R147 N151 E152 E153R145-K149 WeakPolarHBondContact O-CG 3.41Å; R145-K149 PolarHBondContact O-N 3.24Å; R145-K149 VanDerWaalsContact O-N 3.1Å; A146-K149 PolarHBondContact O-N 2.91Å; R147-K149 VanDerWaalsContact C-N 3.32Å; R147-K149 PolarHBondContact O-N 3.49Å; K149-N151 PolarHBondContact O-N 3.35Å; K149-E152 WeakPolarHBondContact O-CB 3.49Å; K149-E152 PolarHBondContact O-N 3.05Å; K149-E152 VanDerWaalsContact O-N 3.15Å; K149-E153 WeakPolarHBondContact O-CG 3.46Å; K149-E153 PolarHBondContact O-N 3.39Å
150A96.2Very high95.9Very high56 Ų5695.2 Ų95.246%0.46350%0.501SS..Hα-helixtrans-61.6-36178.200000112.1A146 R147 G154A146-A150 PolarHBondContact O-N 3.44Å; A146-A150 VanDerWaalsContact O-N 3.11Å; R147-A150 PolarHBondContact O-N 3.01Å; A150-G154 PolarHBondContact O-N 3.44Å
151N96.3Very high96.1Very high96 Ų9695.8 Ų95.851%0.51350%0.502SS..Hα-helixtrans-68.5-40.5175.1-69.9-6000111.9R147 G148 K149 G154 L155R147-N151 WeakPolarHBondContact O-CB 3.48Å; R147-N151 PolarHBondContact O-N 3Å; R147-N151 PolarHBondContact O-OD1 3.3Å; G148-N151 PolarHBondContact O-N 2.94Å; K149-N151 PolarHBondContact O-N 3.35Å; N151-G154 PolarHBondContact O-N 2.91Å; N151-L155 WeakPolarHBondContact O-CB 3.33Å; N151-L155 VanDerWaalsContact O-CG 3.32Å; N151-L155 WeakPolarHBondContact O-CG 3.4Å; N151-L155 PolarHBondContact O-N 3.41Å
152E96.4Very high96.3Very high137 Ų13795.2 Ų95.264%0.6450%0.498SS*.Hα-helixtrans-62.7-45.2176.4-174176.4-172.700111.5G148 K149 G154 L155 A156G148-E152 PolarHBondContact O-N 3.48Å; K149-E152 WeakPolarHBondContact O-CB 3.49Å; K149-E152 PolarHBondContact O-N 3.05Å; K149-E152 VanDerWaalsContact O-N 3.15Å; E152-G154 VanDerWaalsContact C-N 3.33Å; E152-G154 PolarHBondContact O-N 2.98Å; E152-L155 PolarHBondContact O-N 2.95Å; E152-A156 PolarHBondContact O-N 2.86Å
153E95.9Very high96.5Very high132 Ų13294.8 Ų94.862%0.61750%0.496SS*.Hα-helixtrans-60-43.3172.6-69.6168.3-169.100111.5K149 L155 A156 L157K149-E153 WeakPolarHBondContact O-CG 3.46Å; K149-E153 PolarHBondContact O-N 3.39Å; E153-L155 VanDerWaalsContact C-N 3.35Å; E153-L155 PolarHBondContact O-N 3.47Å; E153-A156 PolarHBondContact O-N 2.7Å; E153-L157 WeakPolarHBondContact O-CG 3.32Å; E153-L157 PolarHBondContact O-N 3.46Å; E153-L157 VanDerWaalsContact O-N 3.08Å
154G96.6Very high96.7Very high30 Ų3094.7 Ų94.731%0.30949%0.493SS..Hα-helixtrans-62.9-38.2175.400000113.3A150 N151 E152 L157 L158A150-G154 PolarHBondContact O-N 3.44Å; N151-G154 PolarHBondContact O-N 2.91Å; E152-G154 VanDerWaalsContact C-N 3.33Å; E152-G154 PolarHBondContact O-N 2.98Å; G154-L157 PolarHBondContact O-N 3.06Å; G154-L158 WeakPolarHBondContact O-CG 3.3Å; G154-L158 PolarHBondContact O-N 2.88Å; G154-L158 VanDerWaalsContact O-N 3.08Å
155L97.4Very high96.8Very high117 Ų11796 Ų9661%0.61350%0.5SS*.Hα-helixtrans-66.8-39.9175-75.2171.9000111.7N151 E152 E153 L157 L158 Q159N151-L155 WeakPolarHBondContact O-CB 3.33Å; N151-L155 VanDerWaalsContact O-CG 3.32Å; N151-L155 WeakPolarHBondContact O-CG 3.4Å; N151-L155 PolarHBondContact O-N 3.41Å; E152-L155 PolarHBondContact O-N 2.95Å; E153-L155 VanDerWaalsContact C-N 3.35Å; E153-L155 PolarHBondContact O-N 3.47Å; L155-L157 VanDerWaalsContact C-N 3.35Å; L155-L158 PolarHBondContact O-N 3.25Å; L155-Q159 PolarHBondContact O-N 3.48Å
156A96.9Very high96.9Very high62 Ų6292 Ų9251%0.51249%0.493SS..Hα-helixtrans-61.9-42.7175.900000111.8E152 E153 L158 Q159 E160E152-A156 PolarHBondContact O-N 2.86Å; E153-A156 PolarHBondContact O-N 2.7Å; A156-L158 PolarHBondContact O-N 2.94Å; A156-Q159 PolarHBondContact O-N 3.25Å; A156-E160 PolarHBondContact O-N 3.41Å
157L97.2Very high97Very high113 Ų11395.6 Ų95.659%0.59250%0.5SS*.Hα-helixtrans-63-40.6175.2-70.8172.8000112.6E153 G154 L155 Q159 E160 E161E153-L157 WeakPolarHBondContact O-CG 3.32Å; E153-L157 PolarHBondContact O-N 3.46Å; E153-L157 VanDerWaalsContact O-N 3.08Å; G154-L157 PolarHBondContact O-N 3.06Å; L155-L157 VanDerWaalsContact C-N 3.35Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-E160 PolarHBondContact O-N 2.94Å; L157-E161 PolarHBondContact O-N 2.76Å
158L97.6Very high97Very high112 Ų11293.5 Ų93.559%0.58650%0.5SS*.Hα-helixtrans-65.4-38.9176.4-73.8172.6000112G154 L155 A156 E161 I162G154-L158 WeakPolarHBondContact O-CG 3.3Å; G154-L158 PolarHBondContact O-N 2.88Å; G154-L158 VanDerWaalsContact O-N 3.08Å; L155-L158 PolarHBondContact O-N 3.25Å; A156-L158 PolarHBondContact O-N 2.94Å; L158-E161 PolarHBondContact O-N 3.36Å; L158-I162 WeakPolarHBondContact O-CG1 3.48Å; L158-I162 PolarHBondContact O-N 2.87Å
159Q97.3Very high97.1Very high101 Ų10195.4 Ų95.447%0.47250%0.504SS..Hα-helixtrans-63.5-44175.2-173.461.248.900111.2L155 A156 L157 E161 I162 D163L155-Q159 PolarHBondContact O-N 3.48Å; A156-Q159 PolarHBondContact O-N 3.25Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-E161 VanDerWaalsContact C-N 3.3Å; Q159-E161 PolarHBondContact O-N 2.95Å; Q159-I162 PolarHBondContact O-N 2.83Å; Q159-D163 PolarHBondContact NE2-OD1 2.94Å; Q159-D163 PolarHBondContact O-N 3.27Å
160E96.9Very high97.1Very high95 Ų9595.9 Ų95.944%0.44451%0.508SS..Hα-helixtrans-59.6-40.4176.6-169.8-169155.600112A156 L157 D163 K164A156-E160 PolarHBondContact O-N 3.41Å; L157-E160 PolarHBondContact O-N 2.94Å; E160-D163 PolarHBondContact O-N 2.84Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.49Å; E160-K164 VanDerWaalsContact OE1-CE 3.23Å; E160-K164 WeakPolarHBondContact OE1-CE 3.5Å; E160-K164 IonicContact OE1-NZ 3.15Å; E160-K164 PolarHBondContact OE1-NZ 3.01Å
161E97.6Very high97.2Very high104 Ų10498.7 Ų98.749%0.48651%0.514SS..Hα-helixtrans-67.2-39.6176.9-168.762.6-15700112.1L157 L158 Q159 D163 K164 M165L157-E161 PolarHBondContact O-N 2.76Å; L158-E161 PolarHBondContact O-N 3.36Å; Q159-E161 VanDerWaalsContact C-N 3.3Å; Q159-E161 PolarHBondContact O-N 2.95Å; E161-D163 VanDerWaalsContact C-N 3.35Å; E161-K164 PolarHBondContact O-N 3.37Å; E161-M165 WeakPolarHBondContact O-CB 3.49Å; E161-M165 WeakPolarHBondContact O-CG 3.45Å; E161-M165 PolarHBondContact O-N 3.33Å
162I97.8Very high97.3Very high88 Ų8899.8 Ų99.845%0.45152%0.518SS..Hα-helixtrans-61-46.4173.8-71.5167.5000110.2L158 Q159 K164 M165 V166L158-I162 WeakPolarHBondContact O-CG1 3.48Å; L158-I162 PolarHBondContact O-N 2.87Å; Q159-I162 PolarHBondContact O-N 2.83Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.9Å; I162-M165 WeakPolarHBondContact O-CB 3.4Å; I162-M165 PolarHBondContact O-N 3.49Å; I162-M165 VanDerWaalsContact O-N 3.14Å; I162-V166 HydrophobicContact CG2-CG2 4.3Å; I162-V166 WeakPolarHBondContact O-CG2 3.5Å; I162-V166 PolarHBondContact O-N 2.96Å
163D97.8Very high97.3Very high87 Ų8796.9 Ų96.947%0.46551%0.51SS..Hα-helixtrans-62-41.8-178.8-64.9-18000111.1Q159 E160 E161 V166 E167Q159-D163 PolarHBondContact NE2-OD1 2.94Å; Q159-D163 PolarHBondContact O-N 3.27Å; E160-D163 PolarHBondContact O-N 2.84Å; E161-D163 VanDerWaalsContact C-N 3.35Å; D163-V166 PolarHBondContact O-N 3.02Å; D163-E167 PolarHBondContact O-N 3.08Å
164K97.8Very high97.3Very high92 Ų9292.4 Ų92.440%0.450%0.499SS..Hα-helixtrans-61.6-43.1172.6-72170.4-173.6162.50112.5E160 E161 I162 V166 E167 T168E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.49Å; E160-K164 VanDerWaalsContact OE1-CE 3.23Å; E160-K164 WeakPolarHBondContact OE1-CE 3.5Å; E160-K164 IonicContact OE1-NZ 3.15Å; E160-K164 PolarHBondContact OE1-NZ 3.01Å; E161-K164 PolarHBondContact O-N 3.37Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.9Å; K164-V166 VanDerWaalsContact C-N 3.31Å; K164-V166 PolarHBondContact O-N 3.37Å; K164-E167 PolarHBondContact O-N 3.41Å; K164-T168 WeakPolarHBondContact O-CG2 3.36Å; K164-T168 PolarHBondContact O-N 2.68Å; K164-T168 PolarHBondContact O-OG1 3.42Å
165M97.5Very high97.4Very high109 Ų10995 Ų9554%0.53751%0.505SS..Hα-helixtrans-63.9-38.1176.3-81-175.449.500112.1E161 I162 T168 T169E161-M165 WeakPolarHBondContact O-CB 3.49Å; E161-M165 WeakPolarHBondContact O-CG 3.45Å; E161-M165 PolarHBondContact O-N 3.33Å; I162-M165 WeakPolarHBondContact O-CB 3.4Å; I162-M165 PolarHBondContact O-N 3.49Å; I162-M165 VanDerWaalsContact O-N 3.14Å; M165-T168 WeakPolarHBondContact CA-OG1 3.33Å; M165-T168 PolarHBondContact O-OG1 3.38Å; M165-T169 VanDerWaalsContact O-CB 3.3Å; M165-T169 WeakPolarHBondContact O-CB 3.44Å; M165-T169 PolarHBondContact O-N 3.3Å; M165-T169 PolarHBondContact O-OG1 3.14Å
166V97.9Very high97.4Very high68 Ų6894.8 Ų94.841%0.41250%0.504SS..Hα-helixtrans-65.3-50.6176.1170.30000110I162 D163 K164 T168 T169 E170I162-V166 HydrophobicContact CG2-CG2 4.3Å; I162-V166 WeakPolarHBondContact O-CG2 3.5Å; I162-V166 PolarHBondContact O-N 2.96Å; D163-V166 PolarHBondContact O-N 3.02Å; K164-V166 VanDerWaalsContact C-N 3.31Å; K164-V166 PolarHBondContact O-N 3.37Å; V166-T168 VanDerWaalsContact C-N 3.32Å; V166-T168 PolarHBondContact O-N 3.5Å; V166-T169 WeakPolarHBondContact O-CB 3.33Å; V166-T169 PolarHBondContact O-N 3.06Å; V166-E170 HydrophobicContact CG1-CG 4.29Å; V166-E170 WeakPolarHBondContact O-CG 3.46Å; V166-E170 PolarHBondContact O-N 3.29Å
167E97.2Very high97.4Very high136 Ų13697.5 Ų97.564%0.63651%0.506SS*.Hα-helixtrans-56.5-45.7178.6-175.5-178.3-171.300111.8D163 K164 T169 E170 L171D163-E167 PolarHBondContact O-N 3.08Å; K164-E167 PolarHBondContact O-N 3.41Å; E167-T169 VanDerWaalsContact C-N 3.34Å; E167-T169 PolarHBondContact O-N 2.92Å; E167-E170 PolarHBondContact O-N 3.2Å; E167-L171 WeakPolarHBondContact O-CB 3.34Å; E167-L171 PolarHBondContact O-N 2.94Å
168T97.3Very high97.4Very high70 Ų7094.3 Ų94.343%0.42949%0.493SS..Hα-helixtrans-64.8-3817752.20000112.4K164 M165 V166 L171 M172K164-T168 WeakPolarHBondContact O-CG2 3.36Å; K164-T168 PolarHBondContact O-N 2.68Å; K164-T168 PolarHBondContact O-OG1 3.42Å; M165-T168 WeakPolarHBondContact CA-OG1 3.33Å; M165-T168 PolarHBondContact O-OG1 3.38Å; V166-T168 VanDerWaalsContact C-N 3.32Å; V166-T168 PolarHBondContact O-N 3.5Å; T168-L171 PolarHBondContact O-N 3.38Å; T168-M172 WeakPolarHBondContact O-CB 3.4Å; T168-M172 VanDerWaalsContact O-CG 3.3Å; T168-M172 WeakPolarHBondContact O-CG 3.38Å; T168-M172 PolarHBondContact O-N 3.47Å
169T97.1Very high97.4Very high77 Ų7793.5 Ų93.547%0.47249%0.489SS..Hα-helixtrans-67.8-40.7176.7-590000111.7M165 V166 E167 M172 T173M165-T169 VanDerWaalsContact O-CB 3.3Å; M165-T169 WeakPolarHBondContact O-CB 3.44Å; M165-T169 PolarHBondContact O-N 3.3Å; M165-T169 PolarHBondContact O-OG1 3.14Å; V166-T169 WeakPolarHBondContact O-CB 3.33Å; V166-T169 PolarHBondContact O-N 3.06Å; E167-T169 VanDerWaalsContact C-N 3.34Å; E167-T169 PolarHBondContact O-N 2.92Å; T169-M172 PolarHBondContact O-N 2.93Å; T169-T173 WeakPolarHBondContact O-CB 3.48Å; T169-T173 PolarHBondContact O-N 3.4Å; T169-T173 PolarHBondContact O-OG1 3.23Å
170E96.9Very high97.4Very high131 Ų13195.5 Ų95.561%0.61250%0.496SS*.Hα-helixtrans-63-46.1175.2-73.1-180173.600111V166 E167 M172 T173 G174V166-E170 HydrophobicContact CG1-CG 4.29Å; V166-E170 WeakPolarHBondContact O-CG 3.46Å; V166-E170 PolarHBondContact O-N 3.29Å; E167-E170 PolarHBondContact O-N 3.2Å; E170-M172 PolarHBondContact O-N 3Å; E170-T173 PolarHBondContact O-N 3.39Å; E170-G174 PolarHBondContact O-N 2.84Å
171L97.8Very high97.4Very high115 Ų11594.8 Ų94.860%0.60250%0.495SS*.Hα-helixtrans-58.6-47.4174.7179.768.5000111.8E167 T168 T173 G174 N175E167-L171 WeakPolarHBondContact O-CB 3.34Å; E167-L171 PolarHBondContact O-N 2.94Å; T168-L171 PolarHBondContact O-N 3.38Å; L171-T173 VanDerWaalsContact C-N 3.34Å; L171-T173 PolarHBondContact O-N 2.95Å; L171-G174 PolarHBondContact O-N 3.47Å; L171-N175 PolarHBondContact O-N 3.29Å; L171-N175 PolarHBondContact O-ND2 3.06Å
172M97.4Very high97.4Very high120 Ų12095.8 Ų95.859%0.59150%0.498SS*.Hα-helixtrans-62.3-41.7177.3-75-174.4-174.400111.8T168 T169 E170 N175 I176T168-M172 WeakPolarHBondContact O-CB 3.4Å; T168-M172 VanDerWaalsContact O-CG 3.3Å; T168-M172 WeakPolarHBondContact O-CG 3.38Å; T168-M172 PolarHBondContact O-N 3.47Å; T169-M172 PolarHBondContact O-N 2.93Å; E170-M172 PolarHBondContact O-N 3Å; M172-N175 WeakPolarHBondContact O-CB 3.36Å; M172-N175 PolarHBondContact O-N 3.28Å; M172-I176 VanDerWaalsContact O-CG1 3.27Å; M172-I176 WeakPolarHBondContact O-CG1 3.46Å; M172-I176 PolarHBondContact O-N 2.68Å
173T97.1Very high97.4Very high76 Ų7697 Ų9747%0.46650%0.504SS..Hα-helixtrans-62.6-44.6177.3-59.60000111.1T169 E170 L171 N175 I176 Q177T169-T173 WeakPolarHBondContact O-CB 3.48Å; T169-T173 PolarHBondContact O-N 3.4Å; T169-T173 PolarHBondContact O-OG1 3.23Å; E170-T173 PolarHBondContact O-N 3.39Å; L171-T173 VanDerWaalsContact C-N 3.34Å; L171-T173 PolarHBondContact O-N 2.95Å; T173-N175 VanDerWaalsContact C-N 3.34Å; T173-N175 PolarHBondContact O-N 3.47Å; T173-I176 PolarHBondContact O-N 3.08Å; T173-Q177 WeakPolarHBondContact O-CB 3.23Å; T173-Q177 PolarHBondContact O-N 3.47Å
174G96.9Very high97.4Very high38 Ų3899.1 Ų99.139%0.39251%0.511SS..Hα-helixtrans-59.3-43.6173.700000112.4E170 L171 Q177 S178E170-G174 PolarHBondContact O-N 2.84Å; L171-G174 PolarHBondContact O-N 3.47Å; G174-Q177 PolarHBondContact O-N 3.15Å; G174-S178 WeakPolarHBondContact O-CB 3.32Å; G174-S178 PolarHBondContact O-N 2.92Å
175N97.5Very high97.3Very high83 Ų8399.8 Ų99.844%0.44452%0.518SS..Hα-helixtrans-62.1-46175.6-75.1-25.8000112.1L171 M172 T173 Q177 S178 L179L171-N175 PolarHBondContact O-N 3.29Å; L171-N175 PolarHBondContact O-ND2 3.06Å; M172-N175 WeakPolarHBondContact O-CB 3.36Å; M172-N175 PolarHBondContact O-N 3.28Å; T173-N175 VanDerWaalsContact C-N 3.34Å; T173-N175 PolarHBondContact O-N 3.47Å; N175-Q177 VanDerWaalsContact C-N 3.33Å; N175-Q177 PolarHBondContact O-N 3.01Å; N175-S178 PolarHBondContact O-N 3.32Å; N175-S178 PolarHBondContact O-OG 3.49Å; N175-L179 WeakPolarHBondContact O-CG 3.5Å; N175-L179 PolarHBondContact O-N 3.39Å
176I97.2Very high97.3Very high113 Ų11399.3 Ų99.358%0.57952%0.517SS*.Hα-helixtrans-58.8-45.7176.5-70.9164.4000110.6M172 T173 S178 L179 K180M172-I176 VanDerWaalsContact O-CG1 3.27Å; M172-I176 WeakPolarHBondContact O-CG1 3.46Å; M172-I176 PolarHBondContact O-N 2.68Å; T173-I176 PolarHBondContact O-N 3.08Å; I176-S178 VanDerWaalsContact C-N 3.35Å; I176-S178 PolarHBondContact O-N 2.96Å; I176-L179 PolarHBondContact O-N 2.9Å; I176-K180 WeakPolarHBondContact O-CB 3.41Å; I176-K180 PolarHBondContact O-N 2.83Å
177Q97.3Very high97.2Very high120 Ų12098.9 Ų98.956%0.56152%0.521SS*.Hα-helixtrans-65.2-39.4179-168.9166.4-3.300111.8T173 G174 N175 L179 K180 N181T173-Q177 WeakPolarHBondContact O-CB 3.23Å; T173-Q177 PolarHBondContact O-N 3.47Å; G174-Q177 PolarHBondContact O-N 3.15Å; N175-Q177 VanDerWaalsContact C-N 3.33Å; N175-Q177 PolarHBondContact O-N 3.01Å; Q177-L179 PolarHBondContact O-N 3.31Å; Q177-K180 PolarHBondContact O-N 3.42Å; Q177-N181 VanDerWaalsContact O-CG 3.27Å; Q177-N181 PolarHBondContact O-N 3.39Å; Q177-N181 PolarHBondContact O-OD1 3.22Å
178S97.3Very high97.1Very high45 Ų4595.3 Ų95.332%0.31551%0.511SS..Hα-helixtrans-62.6-41.9174.785.30000112.3G174 N175 I176 N181 K182G174-S178 WeakPolarHBondContact O-CB 3.32Å; G174-S178 PolarHBondContact O-N 2.92Å; N175-S178 PolarHBondContact O-N 3.32Å; N175-S178 PolarHBondContact O-OG 3.49Å; I176-S178 VanDerWaalsContact C-N 3.35Å; I176-S178 PolarHBondContact O-N 2.96Å; S178-N181 PolarHBondContact O-N 3.31Å; S178-K182 WeakPolarHBondContact O-CG 3.48Å; S178-K182 PolarHBondContact O-N 3.33Å
179L97.8Very high97Very high95 Ų9596.9 Ų96.950%0.49751%0.513SS..Hα-helixtrans-68-41.8178-74.3170.9000111N175 I176 Q177 N181 K182 I183N175-L179 WeakPolarHBondContact O-CG 3.5Å; N175-L179 PolarHBondContact O-N 3.39Å; I176-L179 PolarHBondContact O-N 2.9Å; Q177-L179 PolarHBondContact O-N 3.31Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 2.94Å; L179-K182 PolarHBondContact O-N 3.48Å; L179-I183 WeakPolarHBondContact O-CG1 3.48Å; L179-I183 PolarHBondContact O-N 3.11Å
180K97.6Very high96.9Very high143 Ų14397.1 Ų97.162%0.62251%0.514SS*.Hα-helixtrans-57-45174.2-175-179.6178.4-178.50111.4I176 Q177 I183 Q184I176-K180 WeakPolarHBondContact O-CB 3.41Å; I176-K180 PolarHBondContact O-N 2.83Å; Q177-K180 PolarHBondContact O-N 3.42Å; K180-I183 PolarHBondContact O-N 3.42Å; K180-Q184 WeakPolarHBondContact O-CB 3.43Å; K180-Q184 PolarHBondContact O-N 3.34Å
181N97.4Very high96.8Very high80 Ų8095.7 Ų95.743%0.42851%0.508SS..Hα-helixtrans-63-42.9176.8-68.2-9.5000111.7Q177 S178 L179 Q184 I185Q177-N181 VanDerWaalsContact O-CG 3.27Å; Q177-N181 PolarHBondContact O-N 3.39Å; Q177-N181 PolarHBondContact O-OD1 3.22Å; S178-N181 PolarHBondContact O-N 3.31Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 2.94Å; N181-Q184 PolarHBondContact O-N 2.97Å; N181-I185 VanDerWaalsContact O-CG1 3.32Å; N181-I185 WeakPolarHBondContact O-CG1 3.46Å; N181-I185 PolarHBondContact O-N 2.95Å
182K97.5Very high96.6Very high125 Ų12596.6 Ų96.654%0.54351%0.509SS..Hα-helixtrans-62.1-44176.1-71.8173.1-178.3177.50112.3S178 L179 Q184 I185 L186S178-K182 WeakPolarHBondContact O-CG 3.48Å; S178-K182 PolarHBondContact O-N 3.33Å; L179-K182 PolarHBondContact O-N 3.48Å; K182-Q184 VanDerWaalsContact C-N 3.3Å; K182-Q184 PolarHBondContact O-N 3.35Å; K182-I185 PolarHBondContact O-N 2.95Å; K182-L186 WeakPolarHBondContact O-CB 3.39Å; K182-L186 WeakPolarHBondContact O-CG 3.46Å; K182-L186 PolarHBondContact O-N 3.33Å
183I96.8Very high96.3Very high115 Ų11594.5 Ų94.559%0.5950%0.498SS*.Hα-helixtrans-61.7-42176.3-69.2166.3000110.3L179 K180 L186 A187L179-I183 WeakPolarHBondContact O-CG1 3.48Å; L179-I183 PolarHBondContact O-N 3.11Å; K180-I183 PolarHBondContact O-N 3.42Å; I183-L186 PolarHBondContact O-N 3.1Å; I183-A187 VanDerWaalsContact O-CB 3.26Å; I183-A187 WeakPolarHBondContact O-CB 3.46Å; I183-A187 PolarHBondContact O-N 2.96Å
184Q97.2Very high95.9Very high131 Ų13195.6 Ų95.661%0.61250%0.497SS*.Hα-helixtrans-62.7-43.2177.7-176.4176.9-5.200112.3K180 N181 K182 A187 S188K180-Q184 WeakPolarHBondContact O-CB 3.43Å; K180-Q184 PolarHBondContact O-N 3.34Å; N181-Q184 PolarHBondContact O-N 2.97Å; K182-Q184 VanDerWaalsContact C-N 3.3Å; K182-Q184 PolarHBondContact O-N 3.35Å; Q184-A187 PolarHBondContact O-N 3.22Å; Q184-S188 PolarHBondContact O-N 2.79Å; Q184-S188 PolarHBondContact O-OG 3.34Å
185I96.5Very high95.6Very high106 Ų10697.5 Ų97.554%0.54450%0.496SS..Hα-helixtrans-63.5-47.9177-66.8163.5000110.7N181 K182 A187 S188 E189N181-I185 VanDerWaalsContact O-CG1 3.32Å; N181-I185 WeakPolarHBondContact O-CG1 3.46Å; N181-I185 PolarHBondContact O-N 2.95Å; K182-I185 PolarHBondContact O-N 2.95Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 3.43Å; I185-S188 WeakPolarHBondContact CA-OG 3.48Å; I185-S188 PolarHBondContact O-N 3.41Å; I185-S188 PolarHBondContact O-OG 3.15Å; I185-E189 PolarHBondContact O-N 3.37Å
186L96.8Very high95.3Very high99 Ų99100.7 Ų100.752%0.51850%0.502SS..Hα-helixtrans-62.5-37.6177.8-73.4169.1000111.7K182 I183 E189 V190K182-L186 WeakPolarHBondContact O-CB 3.39Å; K182-L186 WeakPolarHBondContact O-CG 3.46Å; K182-L186 PolarHBondContact O-N 3.33Å; I183-L186 PolarHBondContact O-N 3.1Å; L186-E189 PolarHBondContact O-N 2.97Å; L186-V190 WeakPolarHBondContact O-CB 3.03Å; L186-V190 VanDerWaalsContact O-CG2 3.27Å; L186-V190 WeakPolarHBondContact O-CG2 3.49Å; L186-V190 PolarHBondContact O-N 3.11Å
187A96.4Very high94.7Very high58 Ų5898.7 Ų98.748%0.47950%0.495SS..Hα-helixtrans-63.8-41.6175.900000111.9I183 Q184 I185 E191I183-A187 VanDerWaalsContact O-CB 3.26Å; I183-A187 WeakPolarHBondContact O-CB 3.46Å; I183-A187 PolarHBondContact O-N 2.96Å; Q184-A187 PolarHBondContact O-N 3.22Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 3.43Å; A187-E191 WeakPolarHBondContact O-CB 3.42Å; A187-E191 PolarHBondContact O-N 3.35Å
188S95.4Very high94.1Very high61 Ų6197.3 Ų97.343%0.42749%0.487SS..Hα-helixtrans-66-39.6173.847.50000112.8Q184 I185 E191 E192Q184-S188 PolarHBondContact O-N 2.79Å; Q184-S188 PolarHBondContact O-OG 3.34Å; I185-S188 WeakPolarHBondContact CA-OG 3.48Å; I185-S188 PolarHBondContact O-N 3.41Å; I185-S188 PolarHBondContact O-OG 3.15Å; S188-E191 PolarHBondContact O-N 3Å; S188-E192 WeakPolarHBondContact O-CG 3.37Å; S188-E192 PolarHBondContact O-N 3.02Å
189E95.3Very high93.4Very high104 Ų104100.6 Ų100.649%0.48650%0.497SS..Hα-helixtrans-64.6-42.2177.4-173.9175.3-172.700111.4I185 L186 E192 E193I185-E189 PolarHBondContact O-N 3.37Å; L186-E189 PolarHBondContact O-N 2.97Å; E189-E192 PolarHBondContact O-N 3.03Å; E189-E193 WeakPolarHBondContact O-CG 3.42Å; E189-E193 PolarHBondContact O-N 2.94Å
190V95.6Very high92.3Very high81 Ų81101.5 Ų101.549%0.49150%0.5SS..Hα-helixtrans-63.5-43.7175169.70000111.5L186 E192 E193 E194L186-V190 WeakPolarHBondContact O-CB 3.03Å; L186-V190 VanDerWaalsContact O-CG2 3.27Å; L186-V190 WeakPolarHBondContact O-CG2 3.49Å; L186-V190 PolarHBondContact O-N 3.11Å; V190-E192 PolarHBondContact O-N 3.49Å; V190-E193 PolarHBondContact O-N 3.27Å; V190-E194 HydrophobicContact CG1-CG 4.46Å; V190-E194 WeakPolarHBondContact O-CG 3.36Å; V190-E194 PolarHBondContact O-N 3.32Å
191E94.6Very high90.9Very high102 Ų102100 Ų10048%0.47750%0.496SS..Hα-helixtrans-61.2-43.9176.4-173.570.4-146.200111.4A187 S188 E193 E194 E195A187-E191 WeakPolarHBondContact O-CB 3.42Å; A187-E191 PolarHBondContact O-N 3.35Å; S188-E191 PolarHBondContact O-N 3Å; E191-E193 PolarHBondContact O-N 3.44Å; E191-E194 PolarHBondContact O-N 3.29Å; E191-E195 WeakPolarHBondContact O-CG 3.42Å; E191-E195 PolarHBondContact O-N 3.18Å
192E93.2Very high89.5Confident133 Ų133102.8 Ų102.862%0.62151%0.506SS*.Hα-helixtrans-60.2-46175.1-75.1179.9-168.300111.4S188 E189 V190 E195 R196S188-E192 WeakPolarHBondContact O-CG 3.37Å; S188-E192 PolarHBondContact O-N 3.02Å; E189-E192 PolarHBondContact O-N 3.03Å; V190-E192 PolarHBondContact O-N 3.49Å; E192-E195 PolarHBondContact O-N 3.06Å; E192-R196 WeakPolarHBondContact O-CG 3.39Å; E192-R196 PolarHBondContact O-N 3.42Å
193E90.3Very high87.9Confident77 Ų77102.4 Ų102.436%0.3651%0.508SS..Hα-helixtrans-62-42.3176.1-73-59159.200113.1E189 V190 E191 E195 R196 V197E189-E193 WeakPolarHBondContact O-CG 3.42Å; E189-E193 PolarHBondContact O-N 2.94Å; V190-E193 PolarHBondContact O-N 3.27Å; E191-E193 PolarHBondContact O-N 3.44Å; E193-E195 VanDerWaalsContact C-N 3.32Å; E193-E195 PolarHBondContact O-N 3.04Å; E193-R196 PolarHBondContact O-N 3.06Å; E193-R196 IonicContact OE1-CZ 2.78Å; E193-R196 IonicContact OE1-NE 2.63Å; E193-R196 PolarHBondContact OE1-NE 2.82Å; E193-R196 IonicContact OE1-NH2 3.39Å; E193-R196 PolarHBondContact OE1-NH2 3.19Å; E193-R196 IonicContact OE2-CZ 2.68Å; E193-R196 IonicContact OE2-NE 2.68Å; E193-R196 PolarHBondContact OE2-NE 3.38Å; E193-R196 IonicContact OE2-NH2 2.9Å; E193-R196 PolarHBondContact OE2-NH2 3.22Å; E193-V197 WeakPolarHBondContact O-CG2 3.41Å; E193-V197 PolarHBondContact O-N 2.69Å
194E89.9Confident86Confident98 Ų98101.2 Ų101.246%0.45850%0.504SS..Hα-helixtrans-60.8-42.6175.6-77.6-169.6-171.700111.5V190 E191 V197 K198V190-E194 HydrophobicContact CG1-CG 4.46Å; V190-E194 WeakPolarHBondContact O-CG 3.36Å; V190-E194 PolarHBondContact O-N 3.32Å; E191-E194 PolarHBondContact O-N 3.29Å; E194-V197 PolarHBondContact O-N 3.32Å; E194-K198 WeakPolarHBondContact O-CB 3.39Å; E194-K198 VanDerWaalsContact O-CG 3.3Å; E194-K198 WeakPolarHBondContact O-CG 3.42Å; E194-K198 PolarHBondContact O-N 2.98Å
195E91Very high84.1Confident78 Ų78100.5 Ų100.536%0.36451%0.508SS..Hα-helixtrans-63-40.3174.3-74.3-59131.700112E191 E192 E193 K198 Q199E191-E195 WeakPolarHBondContact O-CG 3.42Å; E191-E195 PolarHBondContact O-N 3.18Å; E192-E195 PolarHBondContact O-N 3.06Å; E193-E195 VanDerWaalsContact C-N 3.32Å; E193-E195 PolarHBondContact O-N 3.04Å; E195-K198 PolarHBondContact O-N 3.14Å; E195-K198 IonicContact OE1-NZ 2.71Å; E195-K198 PolarHBondContact OE1-NZ 3.03Å; E195-Q199 VanDerWaalsContact O-CG 3.3Å; E195-Q199 WeakPolarHBondContact O-CG 3.32Å; E195-Q199 PolarHBondContact O-N 3.04Å
196R89.3Confident82.2Confident150 Ų15098.6 Ų98.657%0.56650%0.504SS*.Hα-helixtrans-62.6-43173.5-64.6-163.1-48.71656.4112E192 E193 Q199 M200E192-R196 WeakPolarHBondContact O-CG 3.39Å; E192-R196 PolarHBondContact O-N 3.42Å; E193-R196 PolarHBondContact O-N 3.06Å; E193-R196 IonicContact OE1-CZ 2.78Å; E193-R196 IonicContact OE1-NE 2.63Å; E193-R196 PolarHBondContact OE1-NE 2.82Å; E193-R196 IonicContact OE1-NH2 3.39Å; E193-R196 PolarHBondContact OE1-NH2 3.19Å; E193-R196 IonicContact OE2-CZ 2.68Å; E193-R196 IonicContact OE2-NE 2.68Å; E193-R196 PolarHBondContact OE2-NE 3.38Å; E193-R196 IonicContact OE2-NH2 2.9Å; E193-R196 PolarHBondContact OE2-NH2 3.22Å; R196-Q199 PolarHBondContact O-N 3.05Å; R196-M200 WeakPolarHBondContact O-CB 3.28Å; R196-M200 PolarHBondContact O-N 3.27Å
197V85Confident80.1Confident72 Ų7295.5 Ų95.544%0.43650%0.496SS..Hα-helixtrans-66.5-39.9178172.10000111.1E193 E194 M200 H201E193-V197 WeakPolarHBondContact O-CG2 3.41Å; E193-V197 PolarHBondContact O-N 2.69Å; E194-V197 PolarHBondContact O-N 3.32Å; V197-M200 PolarHBondContact O-N 3.02Å; V197-H201 WeakPolarHBondContact CG1-ND1 3.45Å; V197-H201 WeakPolarHBondContact O-CB 3.45Å; V197-H201 PolarHBondContact O-N 2.95Å; V197-H201 PolarHBondContact O-ND1 3.43Å
198K85.6Confident78.3Confident91 Ų91100 Ų10040%0.39652%0.517SS..Hα-helixtrans-62.3-44.9174-74.5173.7-159161.20111.2E194 E195 H201 Q202E194-K198 WeakPolarHBondContact O-CB 3.39Å; E194-K198 VanDerWaalsContact O-CG 3.3Å; E194-K198 WeakPolarHBondContact O-CG 3.42Å; E194-K198 PolarHBondContact O-N 2.98Å; E195-K198 PolarHBondContact O-N 3.14Å; E195-K198 IonicContact OE1-NZ 2.71Å; E195-K198 PolarHBondContact OE1-NZ 3.03Å; K198-H201 PolarHBondContact O-N 3.37Å; K198-Q202 WeakPolarHBondContact O-CG 3.24Å; K198-Q202 PolarHBondContact O-N 2.92Å
199Q82.6Confident76.7Confident113 Ų113103.3 Ų103.353%0.52853%0.53SS..Hα-helixtrans-62-44.6175.6-72.2174.924.800111.6E195 R196 H201 Q202 I203E195-Q199 VanDerWaalsContact O-CG 3.3Å; E195-Q199 WeakPolarHBondContact O-CG 3.32Å; E195-Q199 PolarHBondContact O-N 3.04Å; R196-Q199 PolarHBondContact O-N 3.05Å; Q199-H201 VanDerWaalsContact C-N 3.35Å; Q199-H201 PolarHBondContact O-N 2.86Å; Q199-Q202 PolarHBondContact O-N 2.97Å; Q199-I203 VanDerWaalsContact O-CG1 3.32Å; Q199-I203 WeakPolarHBondContact O-CG1 3.19Å; Q199-I203 PolarHBondContact O-N 2.88Å
200M74.9Confident74.9Confident114 Ų114102.9 Ų102.956%0.56254%0.538SS*.Hα-helixtrans-63.9-39.6176-168.9168.8102.900112R196 V197 I203 N204R196-M200 WeakPolarHBondContact O-CB 3.28Å; R196-M200 PolarHBondContact O-N 3.27Å; V197-M200 PolarHBondContact O-N 3.02Å; M200-I203 PolarHBondContact O-N 3.47Å; M200-N204 WeakPolarHBondContact O-CB 3.36Å; M200-N204 PolarHBondContact O-N 2.97Å; M200-N204 PolarHBondContact O-ND2 3.28Å
201H68.6Low73.4Confident113 Ų113104.9 Ų104.952%0.52355%0.545SS..Hα-helixtrans-64.3-42.4173.2-86.379.3000111.9V197 K198 Q199 I203 N204 T205V197-H201 WeakPolarHBondContact CG1-ND1 3.45Å; V197-H201 WeakPolarHBondContact O-CB 3.45Å; V197-H201 PolarHBondContact O-N 2.95Å; V197-H201 PolarHBondContact O-ND1 3.43Å; K198-H201 PolarHBondContact O-N 3.37Å; Q199-H201 VanDerWaalsContact C-N 3.35Å; Q199-H201 PolarHBondContact O-N 2.86Å; H201-I203 VanDerWaalsContact C-N 3.3Å; H201-I203 PolarHBondContact O-N 3.23Å; H201-N204 CarbonylContact O-C 3.47Å; H201-N204 PolarHBondContact O-N 3.31Å; H201-N204 VanDerWaalsContact O-N 3.11Å; H201-T205 VanDerWaalsContact O-CG2 3.32Å; H201-T205 WeakPolarHBondContact O-CG2 3.25Å; H201-T205 PolarHBondContact O-N 3.46Å
202Q67.9Low72.1Confident137 Ų137105.3 Ų105.364%0.6456%0.557SS**Hα-helixtrans-59.3-42.6174.2-75.8177.120.700111.4K198 Q199 N204 T205K198-Q202 WeakPolarHBondContact O-CG 3.24Å; K198-Q202 PolarHBondContact O-N 2.92Å; Q199-Q202 PolarHBondContact O-N 2.97Å; Q202-N204 VanDerWaalsContact C-N 3.33Å; Q202-N204 PolarHBondContact O-N 2.85Å; Q202-T205 PolarHBondContact O-N 3.42Å; Q202-T205 PolarHBondContact O-OG1 3.46Å
203I63.1Low70.7Confident117 Ų117108.4 Ų108.460%0.657%0.571SS**Hα-helixtrans-61.6-42174.1-65.3164.3000110.9Q199 M200 H201 S206Q199-I203 VanDerWaalsContact O-CG1 3.32Å; Q199-I203 WeakPolarHBondContact O-CG1 3.19Å; Q199-I203 PolarHBondContact O-N 2.88Å; M200-I203 PolarHBondContact O-N 3.47Å; H201-I203 VanDerWaalsContact C-N 3.3Å; H201-I203 PolarHBondContact O-N 3.23Å; I203-S206 WeakPolarHBondContact O-CB 3.45Å; I203-S206 PolarHBondContact O-N 3.11Å; I203-S206 PolarHBondContact O-OG 2.96Å
204N57.8Low69.5Low91 Ų91111.2 Ų111.249%0.48759%0.588SS.*Hα-helixtrans-78.7-13-179.7-67.3-25.6000114.8M200 H201 Q202 S206M200-N204 WeakPolarHBondContact O-CB 3.36Å; M200-N204 PolarHBondContact O-N 2.97Å; M200-N204 PolarHBondContact O-ND2 3.28Å; H201-N204 CarbonylContact O-C 3.47Å; H201-N204 PolarHBondContact O-N 3.31Å; H201-N204 VanDerWaalsContact O-N 3.11Å; Q202-N204 VanDerWaalsContact C-N 3.33Å; Q202-N204 PolarHBondContact O-N 2.85Å; N204-S206 VanDerWaalsContact C-N 3.27Å; N204-S206 CarbonylContact C-O 3.58Å; N204-S206 VanDerWaalsContact C-O 3.23Å; N204-S206 CarbonylContact O-C 3.57Å; N204-S206 VanDerWaalsContact O-O 3.06Å
205T56.8Low68.2Low116 Ų116109.5 Ų109.571%0.71259%0.587SS**Hα-helixtrans-74-21.1169.654.60000112.1H201 Q202 G207H201-T205 VanDerWaalsContact O-CG2 3.32Å; H201-T205 WeakPolarHBondContact O-CG2 3.25Å; H201-T205 PolarHBondContact O-N 3.46Å; Q202-T205 PolarHBondContact O-N 3.42Å; Q202-T205 PolarHBondContact O-OG1 3.46Å; T205-G207 PolarHBondContact O-N 2.79Å; T205-G207 VanDerWaalsContact O-N 3.16Å
206S56.3Low66.8Low65 Ų65112.7 Ų112.746%0.45560%0.602SS.*SBendtrans-71.3103.5148.886.10000104.8I203 N204I203-S206 WeakPolarHBondContact O-CB 3.45Å; I203-S206 PolarHBondContact O-N 3.11Å; I203-S206 PolarHBondContact O-OG 2.96Å; N204-S206 VanDerWaalsContact C-N 3.27Å; N204-S206 CarbonylContact C-O 3.58Å; N204-S206 VanDerWaalsContact C-O 3.23Å; N204-S206 CarbonylContact O-C 3.57Å; N204-S206 VanDerWaalsContact O-O 3.06Å
207G52.6Low65.5Low34 Ų34114.1 Ų114.135%0.35161%0.612SS.*  trans-51.4169.9-162.500000113.9T205 L209 S210T205-G207 PolarHBondContact O-N 2.79Å; T205-G207 VanDerWaalsContact O-N 3.16Å; G207-L209 CarbonylContact O-C 3.59Å; G207-L209 PolarHBondContact O-N 2.98Å; G207-S210 PolarHBondContact O-N 3.16Å
208V58.8Low64.3Low152 Ų152115.3 Ų115.392%0.92162%0.62SS**THydrogen-bonded Turntrans-47.9-11.8175.3178.40000114
209L60.6Low63.2Low132 Ų132117.9 Ų117.969%0.69164%0.637SS**THydrogen-bonded Turntrans-123.612.2176.7-61175.8000115.3G207 L211G207-L209 CarbonylContact O-C 3.59Å; G207-L209 PolarHBondContact O-N 2.98Å; L209-L211 HydrophobicContact CB-CD1 3.99Å; L209-L211 HydrophobicContact CB-CG 3.82Å; L209-L211 HydrophobicContact CD1-CD1 4.22Å; L209-L211 PolarHBondContact O-N 3.22Å; L209-L211 VanDerWaalsContact O-N 3.09Å
210S59.3Low62.2Low95 Ų95120.3 Ų120.366%0.66465%0.646SS**  trans47.937.4-177.9-49.10000114G207G207-S210 PolarHBondContact O-N 3.16Å
211L63.9Low61.7Low123 Ų123117.5 Ų117.564%0.64464%0.641SS**  trans-82.4137.8-174.7-67.2174.8000111.3L209 E213L209-L211 HydrophobicContact CB-CD1 3.99Å; L209-L211 HydrophobicContact CB-CG 3.82Å; L209-L211 HydrophobicContact CD1-CD1 4.22Å; L209-L211 PolarHBondContact O-N 3.22Å; L209-L211 VanDerWaalsContact O-N 3.09Å; L211-E213 PolarHBondContact O-N 3.47Å
212P66.3Low61.5Low111 Ų111116.1 Ų116.172%0.72164%0.642SS**  trans-57.9134.4172.6-20.730.9000110.8L214P212-L214 PolarHBondContact O-N 3.35Å; P212-L214 VanDerWaalsContact O-N 3.09Å
213E64.5Low61.6Low197 Ų197113.7 Ų113.792%0.92164%0.637SS**  trans-60.8114.7175.8-138175.8-170.200109.1L211 S215L211-E213 PolarHBondContact O-N 3.47Å; E213-S215 PolarHBondContact O-N 3.02Å
214L64.6Low61.8Low137 Ų137113.8 Ų113.872%0.71764%0.638SS**  trans-64.5127.4-179.2-67.8176.7000109.1P212 Q216P212-L214 PolarHBondContact O-N 3.35Å; P212-L214 VanDerWaalsContact O-N 3.09Å; L214-Q216 PolarHBondContact O-N 3.1Å
215S62.3Low62.3Low61 Ų61116.2 Ų116.243%0.42765%0.646SS.*  trans-57139.6-174.3970000111.4E213 K217 T218 L219E213-S215 PolarHBondContact O-N 3.02Å; S215-K217 PolarHBondContact O-N 3.13Å; S215-K217 PolarHBondContact OG-N 3.36Å; S215-T218 PolarHBondContact O-N 2.75Å; S215-T218 PolarHBondContact O-OG1 3.17Å; S215-T218 PolarHBondContact OG-OG1 2.93Å; S215-L219 PolarHBondContact O-N 3.49Å
216Q62.8Low63Low145 Ų145117.5 Ų117.568%0.67864%0.642SS**Hα-helixtrans-58.3-16.3176.9-64.6-174.41.300113.6L214 K220L214-Q216 PolarHBondContact O-N 3.1Å; Q216-K220 WeakPolarHBondContact O-CB 3.48Å; Q216-K220 WeakPolarHBondContact O-CG 3.48Å; Q216-K220 PolarHBondContact O-N 3.07Å
217K61Low63.7Low181 Ų181120.1 Ų120.179%0.78765%0.647SS**Hα-helixtrans-70-34174.2-60.6-178.7179.3178.80111.8S215 A221S215-K217 PolarHBondContact O-N 3.13Å; S215-K217 PolarHBondContact OG-N 3.36Å; K217-A221 PolarHBondContact O-N 2.9Å
218T60.8Low64.6Low97 Ų97123 Ų12360%0.59565%0.653SS**Hα-helixtrans-76.2-35.6177.9-31.10000110.9S215S215-T218 PolarHBondContact O-N 2.75Å; S215-T218 PolarHBondContact O-OG1 3.17Å; S215-T218 PolarHBondContact OG-OG1 2.93Å
219L61Low65Low144 Ų144118.6 Ų118.675%0.75462%0.624SS**Hα-helixtrans-73.3-31.5177-125.391.5000113.2S215S215-L219 PolarHBondContact O-N 3.49Å
220K61.3Low65.4Low164 Ų164115.9 Ų115.971%0.71362%0.621SS**SBendtrans-90.5-1.7177.5-71.7178.4177.2173.20113.6Q216Q216-K220 WeakPolarHBondContact O-CB 3.48Å; Q216-K220 WeakPolarHBondContact O-CG 3.48Å; Q216-K220 PolarHBondContact O-N 3.07Å
221A65.2Low66.1Low56 Ų56118.3 Ų118.346%0.46363%0.626SS.*SBendtrans-61.3131.317400000109K217 T223K217-A221 PolarHBondContact O-N 2.9Å; A221-T223 PolarHBondContact O-N 3.1Å
222P64.1Low66.7Low83 Ų83115.8 Ų115.854%0.53961%0.612SS.*PPolyproline II helixtrans-53.3134.7169.3-18.729.4000108.5L224 K226P222-L224 PolarHBondContact O-N 3.33Å; P222-K226 HydrophobicContact CB-CB 3.97Å; P222-K226 HydrophobicContact CB-CD 4.45Å
223T69.9Low66.9Low87 Ų87116.1 Ų116.153%0.53461%0.614SS.*PPolyproline II helixtrans-52.8140.5173.4-36.30000108.6A221 Q225 K226 E227A221-T223 PolarHBondContact O-N 3.1Å; T223-Q225 CarbonylContact O-C 3.23Å; T223-Q225 PolarHBondContact O-N 3.28Å; T223-K226 WeakPolarHBondContact O-CA 3.38Å; T223-K226 WeakPolarHBondContact O-CB 3.47Å; T223-K226 PolarHBondContact O-N 3.02Å; T223-E227 PolarHBondContact O-N 3.39Å
224L68.6Low67.3Low119 Ų119112.4 Ų112.462%0.62360%0.601SS**Hα-helixtrans-43.7-36.3-177.7-173.775.6000113.2P222 K226 E227 I228P222-L224 PolarHBondContact O-N 3.33Å; L224-K226 PolarHBondContact O-N 3.37Å; L224-E227 PolarHBondContact O-N 3.16Å; L224-I228 HydrophobicContact CD2-CD1 4.11Å; L224-I228 HydrophobicContact CG-CD1 3.79Å; L224-I228 HydrophobicContact CG-CG1 4.37Å; L224-I228 VanDerWaalsContact O-CG1 3.29Å; L224-I228 WeakPolarHBondContact O-CG1 3.45Å; L224-I228 PolarHBondContact O-N 3.31Å
225Q68.1Low67.6Low142 Ų142109.1 Ų109.166%0.66458%0.582SS**Hα-helixtrans-57.3-41.9174.9-64.4173.4-13.300113.7T223 L229T223-Q225 CarbonylContact O-C 3.23Å; T223-Q225 PolarHBondContact O-N 3.28Å; Q225-L229 WeakPolarHBondContact O-CB 3.37Å; Q225-L229 WeakPolarHBondContact O-CD1 3.47Å; Q225-L229 WeakPolarHBondContact O-CG 3.34Å; Q225-L229 PolarHBondContact O-N 3.07Å
226K70.3Confident68.3Low142 Ų142111.7 Ų111.762%0.61759%0.591SS**Hα-helixtrans-69-34.5177.4-70-174.7177.2178.50112.1P222 T223 L224 A230P222-K226 HydrophobicContact CB-CB 3.97Å; P222-K226 HydrophobicContact CB-CD 4.45Å; T223-K226 WeakPolarHBondContact O-CA 3.38Å; T223-K226 WeakPolarHBondContact O-CB 3.47Å; T223-K226 PolarHBondContact O-N 3.02Å; L224-K226 PolarHBondContact O-N 3.37Å; K226-A230 PolarHBondContact O-N 2.99Å
227E71.8Confident69Low120 Ų120106.3 Ų106.356%0.56157%0.571SS**Hα-helixtrans-71.9-43.9177.2-168.1172.2-16800111.3T223 L224 L229 A230 L231T223-E227 PolarHBondContact O-N 3.39Å; L224-E227 PolarHBondContact O-N 3.16Å; E227-L229 VanDerWaalsContact C-N 3.34Å; E227-L229 PolarHBondContact O-N 2.91Å; E227-A230 PolarHBondContact O-N 3.42Å; E227-L231 PolarHBondContact O-N 3.45Å
228I71.6Confident69.8Low94 Ų94102 Ų10248%0.48256%0.556SS.*Hα-helixtrans-61.2-42.9174.3-67.9168.7000110.9L224 A230 L231 I232L224-I228 HydrophobicContact CD2-CD1 4.11Å; L224-I228 HydrophobicContact CG-CD1 3.79Å; L224-I228 HydrophobicContact CG-CG1 4.37Å; L224-I228 VanDerWaalsContact O-CG1 3.29Å; L224-I228 WeakPolarHBondContact O-CG1 3.45Å; L224-I228 PolarHBondContact O-N 3.31Å; I228-A230 VanDerWaalsContact C-N 3.31Å; I228-A230 PolarHBondContact O-N 3.39Å; I228-L231 PolarHBondContact O-N 2.92Å; I228-I232 HydrophobicContact CG2-CD1 4.49Å
229L67.5Low70.8Confident60 Ų60100.4 Ų100.431%0.31454%0.543SS..Hα-helixtrans-64.8-32.6178.6-78.3169.3000113.2Q225 E227 L231 Q235Q225-L229 WeakPolarHBondContact O-CB 3.37Å; Q225-L229 WeakPolarHBondContact O-CD1 3.47Å; Q225-L229 WeakPolarHBondContact O-CG 3.34Å; Q225-L229 PolarHBondContact O-N 3.07Å; E227-L229 VanDerWaalsContact C-N 3.34Å; E227-L229 PolarHBondContact O-N 2.91Å; L229-L231 VanDerWaalsContact C-N 3.27Å; L229-L231 PolarHBondContact O-N 3.34Å; L229-Q235 HydrophobicContact CB-CG 4.39Å; L229-Q235 HydrophobicContact CD2-CG 4.23Å; L229-Q235 PolarHBondContact O-OE1 3.01Å
230A68.8Low71.8Confident76 Ų76100.4 Ų100.463%0.62854%0.537SS*.Hα-helixtrans-72.1-19.8177.300000113.3K226 E227 I228K226-A230 PolarHBondContact O-N 2.99Å; E227-A230 PolarHBondContact O-N 3.42Å; I228-A230 VanDerWaalsContact C-N 3.31Å; I228-A230 PolarHBondContact O-N 3.39Å
231L73.2Confident72.8Confident145 Ų14597.2 Ų97.276%0.75953%0.528SS*.THydrogen-bonded Turntrans-82.7-15.3178.8-115.875.1000113.7E227 I228 L229 P233E227-L231 PolarHBondContact O-N 3.45Å; I228-L231 PolarHBondContact O-N 2.92Å; L229-L231 VanDerWaalsContact C-N 3.27Å; L229-L231 PolarHBondContact O-N 3.34Å; L231-P233 WeakPolarHBondContact O-CD 3.46Å
232I75.9Confident73.6Confident71 Ų7199.7 Ų99.736%0.36453%0.533SS..SBendtrans-94.3119.4-172.9-58.7169.1000110.6I228 N234 L238I228-I232 HydrophobicContact CG2-CD1 4.49Å; I232-N234 PolarHBondContact O-N 2.87Å; I232-L238 HydrophobicContact CG2-CD1 3.44Å; I232-L238 VanDerWaalsContact CG2-CD1 3.44Å
233P71.9Confident74.6Confident117 Ų117100.3 Ų100.376%0.7653%0.532SS*.THydrogen-bonded Turntrans-63.1134.8173.5-19.231.9000111L231L231-P233 WeakPolarHBondContact O-CD 3.46Å
234N71.6Confident75.4Confident120 Ų120101.8 Ų101.864%0.64254%0.535SS*.THydrogen-bonded Turntrans69.139.1-177.8-156.910.1000115.5I232 N236 A237 L238I232-N234 PolarHBondContact O-N 2.87Å; N234-N236 VanDerWaalsContact C-N 3.26Å; N234-N236 PolarHBondContact O-N 3.46Å; N234-A237 PolarHBondContact O-N 3.24Å; N234-A237 VanDerWaalsContact O-N 3.15Å; N234-A237 VanDerWaalsContact OD1-CB 3.27Å; N234-A237 WeakPolarHBondContact OD1-CB 3.39Å; N234-L238 PolarHBondContact O-N 2.83Å
235Q72.5Confident76.1Confident67 Ų67100.4 Ų100.431%0.31353%0.528SS..Hα-helixtrans-47.4-41.6176.9-173.6-169.4-1000114.4L229 A237 L238 L239L229-Q235 HydrophobicContact CB-CG 4.39Å; L229-Q235 HydrophobicContact CD2-CG 4.23Å; L229-Q235 PolarHBondContact O-OE1 3.01Å; Q235-A237 VanDerWaalsContact C-N 3.34Å; Q235-A237 PolarHBondContact O-N 3.46Å; Q235-L238 PolarHBondContact O-N 3.4Å; Q235-L239 HydrophobicContact CG-CD1 4.02Å; Q235-L239 PolarHBondContact O-N 3.41Å
236N76.6Confident76.7Confident116 Ų11698.9 Ų98.962%0.6252%0.521SS*.Hα-helixtrans-71.4-27-175-68.4-26.4000113.4N234 K240N234-N236 VanDerWaalsContact C-N 3.26Å; N234-N236 PolarHBondContact O-N 3.46Å; N236-K240 VanDerWaalsContact O-CG 3.29Å; N236-K240 WeakPolarHBondContact O-CG 3.25Å; N236-K240 PolarHBondContact O-N 2.88Å
237A76.9Confident77.4Confident31 Ų3196.5 Ų96.526%0.25652%0.515SS..Hα-helixtrans-75.7-44.3173.900000110.5N234 Q235 L239 K240 D241N234-A237 PolarHBondContact O-N 3.24Å; N234-A237 VanDerWaalsContact O-N 3.15Å; N234-A237 VanDerWaalsContact OD1-CB 3.27Å; N234-A237 WeakPolarHBondContact OD1-CB 3.39Å; Q235-A237 VanDerWaalsContact C-N 3.34Å; Q235-A237 PolarHBondContact O-N 3.46Å; A237-L239 VanDerWaalsContact C-N 3.34Å; A237-L239 PolarHBondContact O-N 3.11Å; A237-K240 WeakPolarHBondContact O-CB 3.44Å; A237-K240 PolarHBondContact O-N 3.37Å; A237-K240 VanDerWaalsContact O-N 3.12Å; A237-D241 PolarHBondContact O-N 3.35Å
238L78.8Confident78.2Confident91 Ų9192.6 Ų92.648%0.47650%0.501SS..Hα-helixtrans-61.3-39.3176.8-76.3168.4000113I232 N234 Q235 K240 D241 L242I232-L238 HydrophobicContact CG2-CD1 3.44Å; I232-L238 VanDerWaalsContact CG2-CD1 3.44Å; N234-L238 PolarHBondContact O-N 2.83Å; Q235-L238 PolarHBondContact O-N 3.4Å; L238-K240 VanDerWaalsContact C-N 3.35Å; L238-D241 PolarHBondContact O-N 2.91Å; L238-L242 VanDerWaalsContact O-CB 3.26Å; L238-L242 WeakPolarHBondContact O-CB 3.14Å; L238-L242 PolarHBondContact O-N 2.88Å
239L80.6Confident78.8Confident63 Ų6392 Ų9233%0.3351%0.505SS..Hα-helixtrans-62.8-41.4174.5-80.7166.7000111.8Q235 A237 L242 D243Q235-L239 HydrophobicContact CG-CD1 4.02Å; Q235-L239 PolarHBondContact O-N 3.41Å; A237-L239 VanDerWaalsContact C-N 3.34Å; A237-L239 PolarHBondContact O-N 3.11Å; L239-L242 PolarHBondContact O-N 2.87Å; L239-D243 WeakPolarHBondContact O-CB 3.37Å; L239-D243 PolarHBondContact O-N 2.86Å
240K82.2Confident79.7Confident144 Ų14496.5 Ų96.563%0.62652%0.524SS*.Hα-helixtrans-66.1-42.4176.6-72.6174.2-178-176.30112N236 A237 L238 L242 D243 I244N236-K240 VanDerWaalsContact O-CG 3.29Å; N236-K240 WeakPolarHBondContact O-CG 3.25Å; N236-K240 PolarHBondContact O-N 2.88Å; A237-K240 WeakPolarHBondContact O-CB 3.44Å; A237-K240 PolarHBondContact O-N 3.37Å; A237-K240 VanDerWaalsContact O-N 3.12Å; L238-K240 VanDerWaalsContact C-N 3.35Å; K240-L242 VanDerWaalsContact C-N 3.34Å; K240-D243 PolarHBondContact O-N 3.45Å; K240-I244 WeakPolarHBondContact O-CD1 3.46Å; K240-I244 WeakPolarHBondContact O-CG1 3.42Å; K240-I244 PolarHBondContact O-N 3.23Å
241D81.9Confident80.7Confident97 Ų9795.7 Ų95.752%0.51951%0.508SS..Hα-helixtrans-65.6-40.2177.9-67.6-18.2000111A237 L238 I244 L245A237-D241 PolarHBondContact O-N 3.35Å; L238-D241 PolarHBondContact O-N 2.91Å; D241-I244 PolarHBondContact O-N 3.39Å; D241-L245 WeakPolarHBondContact O-CB 3.49Å; D241-L245 PolarHBondContact O-N 3.24Å
242L82.9Confident81.4Confident108 Ų10893.8 Ų93.857%0.56549%0.494SS*.Hα-helixtrans-65.2-41174.8-172.566.1000111.9L238 L239 K240 I244 L245 H246L238-L242 VanDerWaalsContact O-CB 3.26Å; L238-L242 WeakPolarHBondContact O-CB 3.14Å; L238-L242 PolarHBondContact O-N 2.88Å; L239-L242 PolarHBondContact O-N 2.87Å; K240-L242 VanDerWaalsContact C-N 3.34Å; L242-I244 VanDerWaalsContact C-N 3.34Å; L242-L245 PolarHBondContact O-N 3.37Å; L242-H246 VanDerWaalsContact O-CB 3.31Å; L242-H246 WeakPolarHBondContact O-CB 3.43Å; L242-H246 PolarHBondContact O-N 3.48Å
243D83.9Confident81.9Confident96 Ų9694 Ų9451%0.51350%0.501SS..Hα-helixtrans-63.4-40174.5-80.3-21.8000111.5L239 K240 L245 N247L239-D243 WeakPolarHBondContact O-CB 3.37Å; L239-D243 PolarHBondContact O-N 2.86Å; K240-D243 PolarHBondContact O-N 3.45Å; D243-L245 VanDerWaalsContact C-N 3.35Å; D243-N247 VanDerWaalsContact O-CB 3.23Å; D243-N247 WeakPolarHBondContact O-CB 3.32Å; D243-N247 PolarHBondContact O-N 3.29Å; D243-N247 PolarHBondContact O-ND2 3.2Å
244I86.8Confident82.8Confident118 Ų11893.2 Ų93.261%0.60549%0.489SS*.Hα-helixtrans-64-42.6174.7-67.9162000110.2K240 D241 L242 N247 S248K240-I244 WeakPolarHBondContact O-CD1 3.46Å; K240-I244 WeakPolarHBondContact O-CG1 3.42Å; K240-I244 PolarHBondContact O-N 3.23Å; D241-I244 PolarHBondContact O-N 3.39Å; L242-I244 VanDerWaalsContact C-N 3.34Å; I244-N247 PolarHBondContact O-N 2.99Å; I244-S248 PolarHBondContact O-N 3.47Å
245L84.1Confident83.5Confident91 Ų9190.4 Ų90.448%0.47648%0.478SS..Hα-helixtrans-67.1-45179.9-148.2168.9000111.3D241 L242 D243 N247 S248 M251D241-L245 WeakPolarHBondContact O-CB 3.49Å; D241-L245 PolarHBondContact O-N 3.24Å; L242-L245 PolarHBondContact O-N 3.37Å; D243-L245 VanDerWaalsContact C-N 3.35Å; L245-N247 VanDerWaalsContact C-N 3.28Å; L245-N247 PolarHBondContact O-N 2.9Å; L245-S248 VanDerWaalsContact O-CB 3.25Å; L245-S248 WeakPolarHBondContact O-CB 3.26Å; L245-S248 PolarHBondContact O-N 2.94Å; L245-S248 PolarHBondContact O-OG 3.17Å; L245-M251 HydrophobicContact CD2-CE 3.34Å; L245-M251 WeakPolarHBondContact O-CB 3.48Å
246H81.2Confident84.3Confident110 Ų11090.9 Ų90.951%0.50949%0.486SS..Hα-helixtrans-63.4-34.5175.7-169.9-90000112.2L242 S248L242-H246 VanDerWaalsContact O-CB 3.31Å; L242-H246 WeakPolarHBondContact O-CB 3.43Å; L242-H246 PolarHBondContact O-N 3.48Å; H246-S248 VanDerWaalsContact C-N 3.33Å
247N83.7Confident85Confident92 Ų9292 Ų9249%0.49249%0.486SS..Hα-helixtrans-83-6.7177.5-75.6-55.4000114.7D243 I244 L245 K252D243-N247 VanDerWaalsContact O-CB 3.23Å; D243-N247 WeakPolarHBondContact O-CB 3.32Å; D243-N247 PolarHBondContact O-N 3.29Å; D243-N247 PolarHBondContact O-ND2 3.2Å; I244-N247 PolarHBondContact O-N 2.99Å; L245-N247 VanDerWaalsContact C-N 3.28Å; L245-N247 PolarHBondContact O-N 2.9Å; N247-K252 WeakPolarHBondContact O-CE 3.36Å; N247-K252 PolarHBondContact O-NZ 2.87Å
248S89.3Confident85.6Confident38 Ų3894.1 Ų94.127%0.26649%0.492SS..SBendtrans-61.6149.7176.177.60000111.7I244 L245 H246 H250 M251 K252I244-S248 PolarHBondContact O-N 3.47Å; L245-S248 VanDerWaalsContact O-CB 3.25Å; L245-S248 WeakPolarHBondContact O-CB 3.26Å; L245-S248 PolarHBondContact O-N 2.94Å; L245-S248 PolarHBondContact O-OG 3.17Å; H246-S248 VanDerWaalsContact C-N 3.33Å; S248-H250 VanDerWaalsContact C-N 3.3Å; S248-H250 PolarHBondContact O-N 3Å; S248-M251 PolarHBondContact O-N 2.95Å; S248-M251 WeakPolarHBondContact OG-CB 3.44Å; S248-M251 PolarHBondContact OG-N 3.41Å; S248-K252 PolarHBondContact O-N 3.47Å; S248-K252 VanDerWaalsContact O-N 3.09Å
249S85.5Confident86.1Confident81 Ų8194.6 Ų94.657%0.56649%0.492SS*.Hα-helixtrans-57.9-43.5178.652.20000111.8K252 S253S249-K252 PolarHBondContact O-N 3.42Å; S249-S253 PolarHBondContact O-N 3.41Å; S249-S253 PolarHBondContact O-OG 3.48Å; S249-S253 VanDerWaalsContact O-OG 3.05Å
250H85.6Confident86.6Confident155 Ų15597 Ų9772%0.71850%0.501SS*.Hα-helixtrans-63.6-43.4-179.6-63.9-68000112.7S248 S253 M254S248-H250 VanDerWaalsContact C-N 3.3Å; S248-H250 PolarHBondContact O-N 3Å; H250-S253 PolarHBondContact O-N 3.37Å; H250-M254 WeakPolarHBondContact O-CB 3.44Å; H250-M254 PolarHBondContact O-N 2.73Å
251M89.2Confident86.9Confident59 Ų5992.5 Ų92.529%0.29149%0.49SS..Hα-helixtrans-68.9-38.7179.5-168.557.272.300111.6L245 S248 M254 S255L245-M251 HydrophobicContact CD2-CE 3.34Å; L245-M251 WeakPolarHBondContact O-CB 3.48Å; S248-M251 PolarHBondContact O-N 2.95Å; S248-M251 WeakPolarHBondContact OG-CB 3.44Å; S248-M251 PolarHBondContact OG-N 3.41Å; M251-M254 HydrophobicContact CE-CE 4.45Å; M251-M254 PolarHBondContact O-N 2.89Å; M251-M254 HydrophobicContact SD-CE 3.88Å; M251-S255 WeakPolarHBondContact O-CB 3.34Å; M251-S255 PolarHBondContact O-N 2.94Å
252K87.7Confident87.1Confident105 Ų10594.8 Ų94.846%0.45749%0.493SS..Hα-helixtrans-60.8-46172.9-76.2173.8174.5155.60112N247 S248 S249 M254 S255 T256N247-K252 WeakPolarHBondContact O-CE 3.36Å; N247-K252 PolarHBondContact O-NZ 2.87Å; S248-K252 PolarHBondContact O-N 3.47Å; S248-K252 VanDerWaalsContact O-N 3.09Å; S249-K252 PolarHBondContact O-N 3.42Å; K252-M254 VanDerWaalsContact C-N 3.32Å; K252-M254 PolarHBondContact O-N 3.41Å; K252-S255 PolarHBondContact O-N 2.9Å; K252-T256 WeakPolarHBondContact O-CG2 3.49Å; K252-T256 PolarHBondContact O-N 3.34Å; K252-T256 PolarHBondContact O-OG1 2.87Å
253S87.7Confident87.3Confident75 Ų7595.6 Ų95.652%0.52449%0.492SS..Hα-helixtrans-60.7-40.4175.4-62.10000112.4S249 H250 T256 F257S249-S253 PolarHBondContact O-N 3.41Å; S249-S253 PolarHBondContact O-OG 3.48Å; S249-S253 VanDerWaalsContact O-OG 3.05Å; H250-S253 PolarHBondContact O-N 3.37Å; S253-T256 WeakPolarHBondContact CA-OG1 3.43Å; S253-T256 PolarHBondContact O-OG1 3.46Å; S253-F257 WeakPolarHBondContact O-CB 3.2Å; S253-F257 PolarHBondContact O-N 2.9Å
254M89.9Confident87.2Confident101 Ų10198.3 Ų98.350%0.49850%0.499SS..Hα-helixtrans-67.1-40.7176.3-165.116994.200111.7H250 M251 K252 F257 I258H250-M254 WeakPolarHBondContact O-CB 3.44Å; H250-M254 PolarHBondContact O-N 2.73Å; M251-M254 HydrophobicContact CE-CE 4.45Å; M251-M254 PolarHBondContact O-N 2.89Å; M251-M254 HydrophobicContact SD-CE 3.88Å; K252-M254 VanDerWaalsContact C-N 3.32Å; K252-M254 PolarHBondContact O-N 3.41Å; M254-F257 WeakPolarHBondContact O-CB 3.42Å; M254-F257 PolarHBondContact O-N 3.02Å; M254-I258 HydrophobicContact CE-CD1 4.49Å; M254-I258 HydrophobicContact CG-CD1 4.16Å; M254-I258 VanDerWaalsContact O-CG1 3.32Å; M254-I258 WeakPolarHBondContact O-CG1 3.42Å; M254-I258 PolarHBondContact O-N 3.4Å
255S87.1Confident87Confident60 Ų6098.2 Ų98.242%0.4250%0.499SS..Hα-helixtrans-65.4-41.5177.9-153.30000111.9M251 K252 F257 I258 E259M251-S255 WeakPolarHBondContact O-CB 3.34Å; M251-S255 PolarHBondContact O-N 2.94Å; K252-S255 PolarHBondContact O-N 2.9Å; S255-F257 VanDerWaalsContact C-N 3.33Å; S255-F257 PolarHBondContact O-N 3.43Å; S255-I258 PolarHBondContact O-N 2.84Å; S255-E259 WeakPolarHBondContact O-CB 3.26Å; S255-E259 PolarHBondContact O-N 3.39Å
256T88.3Confident86.1Confident77 Ų77100.1 Ų100.147%0.47251%0.51SS..Hα-helixtrans-64.8-38.1174.249.90000112K252 S253 E259 E260K252-T256 WeakPolarHBondContact O-CG2 3.49Å; K252-T256 PolarHBondContact O-N 3.34Å; K252-T256 PolarHBondContact O-OG1 2.87Å; S253-T256 WeakPolarHBondContact CA-OG1 3.43Å; S253-T256 PolarHBondContact O-OG1 3.46Å; T256-E259 PolarHBondContact O-N 3.46Å; T256-E260 PolarHBondContact O-N 2.98Å
257F91.9Very high85.1Confident141 Ų14199 Ų9962%0.61852%0.52SS*.Hα-helixtrans-63.7-45.3176.2172.8-99.5000111.9S253 M254 S255 E259 E260 A261S253-F257 WeakPolarHBondContact O-CB 3.2Å; S253-F257 PolarHBondContact O-N 2.9Å; M254-F257 WeakPolarHBondContact O-CB 3.42Å; M254-F257 PolarHBondContact O-N 3.02Å; S255-F257 VanDerWaalsContact C-N 3.33Å; S255-F257 PolarHBondContact O-N 3.43Å; F257-E259 VanDerWaalsContact C-N 3.35Å; F257-E260 PolarHBondContact O-N 2.98Å; F257-A261 WeakPolarHBondContact O-CB 2.84Å; F257-A261 PolarHBondContact O-N 2.9Å
258I90.1Very high83.7Confident75 Ų75102.2 Ų102.239%0.38555%0.549SS..Hα-helixtrans-63.6-42.7176.5-67.7166.7000110.2M254 S255 E260 A261 Y262M254-I258 HydrophobicContact CE-CD1 4.49Å; M254-I258 HydrophobicContact CG-CD1 4.16Å; M254-I258 VanDerWaalsContact O-CG1 3.32Å; M254-I258 WeakPolarHBondContact O-CG1 3.42Å; M254-I258 PolarHBondContact O-N 3.4Å; S255-I258 PolarHBondContact O-N 2.84Å; I258-E260 PolarHBondContact O-N 3.35Å; I258-A261 WeakPolarHBondContact O-CB 3.26Å; I258-A261 PolarHBondContact O-N 2.91Å; I258-Y262 HydrophobicContact CG2-CD2 3.72Å; I258-Y262 HydrophobicContact CG2-CE2 3.84Å; I258-Y262 WeakPolarHBondContact O-CD2 3.47Å; I258-Y262 PolarHBondContact O-N 3.05Å
259E89.6Confident83.4Confident101 Ų101105.4 Ų105.447%0.47256%0.563SS.*Hα-helixtrans-61.9-42.4178-167.4-175.1155.300112.1S255 T256 F257 Y262 K263S255-E259 WeakPolarHBondContact O-CB 3.26Å; S255-E259 PolarHBondContact O-N 3.39Å; T256-E259 PolarHBondContact O-N 3.46Å; F257-E259 VanDerWaalsContact C-N 3.35Å; E259-Y262 PolarHBondContact O-N 3.36Å; E259-K263 WeakPolarHBondContact O-CB 3.44Å; E259-K263 WeakPolarHBondContact O-CG 3.35Å; E259-K263 PolarHBondContact O-N 3.23Å; E259-K263 VanDerWaalsContact OE1-CE 3.23Å; E259-K263 WeakPolarHBondContact OE1-CE 3.18Å; E259-K263 IonicContact OE1-NZ 2.57Å; E259-K263 PolarHBondContact OE1-NZ 3.42Å
260E89.1Confident83.3Confident113 Ų113106.7 Ų106.753%0.52856%0.563SS.*Hα-helixtrans-63.6-40.5173.4-77.9-173.2-17500112.6T256 F257 I258 K263 K264T256-E260 PolarHBondContact O-N 2.98Å; F257-E260 PolarHBondContact O-N 2.98Å; I258-E260 PolarHBondContact O-N 3.35Å; E260-K263 PolarHBondContact O-N 3.34Å; E260-K264 WeakPolarHBondContact O-CG 3.48Å; E260-K264 PolarHBondContact O-N 3.06Å
261A89Confident83.1Confident49 Ų49104 Ų10441%0.40556%0.555SS.*Hα-helixtrans-62.3-42.7176.300000111.5F257 I258 K264 L265F257-A261 WeakPolarHBondContact O-CB 2.84Å; F257-A261 PolarHBondContact O-N 2.9Å; I258-A261 WeakPolarHBondContact O-CB 3.26Å; I258-A261 PolarHBondContact O-N 2.91Å; A261-K264 PolarHBondContact O-N 3.16Å; A261-L265 PolarHBondContact O-N 2.91Å
262Y86.1Confident82.8Confident146 Ų146106.6 Ų106.657%0.57357%0.57SS**Hα-helixtrans-67.5-39.8175.1-91.9-80.1000112.9I258 E259 K264 L265 N266I258-Y262 HydrophobicContact CG2-CD2 3.72Å; I258-Y262 HydrophobicContact CG2-CE2 3.84Å; I258-Y262 WeakPolarHBondContact O-CD2 3.47Å; I258-Y262 PolarHBondContact O-N 3.05Å; E259-Y262 PolarHBondContact O-N 3.36Å; Y262-K264 PolarHBondContact O-N 3.45Å; Y262-L265 PolarHBondContact O-N 3.45Å; Y262-L265 VanDerWaalsContact O-N 3.14Å; Y262-N266 PolarHBondContact O-N 2.99Å
263K86.8Confident82.5Confident124 Ų124106.8 Ų106.854%0.53958%0.577SS.*Hα-helixtrans-59.6-38.3173.7-78.2175.8-176.3164.80111.6E259 E260 A267E259-K263 WeakPolarHBondContact O-CB 3.44Å; E259-K263 WeakPolarHBondContact O-CG 3.35Å; E259-K263 PolarHBondContact O-N 3.23Å; E259-K263 VanDerWaalsContact OE1-CE 3.23Å; E259-K263 WeakPolarHBondContact OE1-CE 3.18Å; E259-K263 IonicContact OE1-NZ 2.57Å; E259-K263 PolarHBondContact OE1-NZ 3.42Å; E260-K263 PolarHBondContact O-N 3.34Å; K263-A267 VanDerWaalsContact O-CB 3.28Å; K263-A267 WeakPolarHBondContact O-CB 3.12Å; K263-A267 PolarHBondContact O-N 3.46Å
264K83.6Confident82.1Confident154 Ų154108.9 Ų108.967%0.6758%0.581SS**Hα-helixtrans-69.6-35174.9-72.5176.9-179175.50112.6E260 A261 Y262E260-K264 WeakPolarHBondContact O-CG 3.48Å; E260-K264 PolarHBondContact O-N 3.06Å; A261-K264 PolarHBondContact O-N 3.16Å; Y262-K264 PolarHBondContact O-N 3.45Å
265L81.4Confident81.6Confident116 Ų116109.4 Ų109.461%0.60759%0.587SS**Hα-helixtrans-71.2-39177.5-172.765.1000112.8A261 Y262 A267A261-L265 PolarHBondContact O-N 2.91Å; Y262-L265 PolarHBondContact O-N 3.45Å; Y262-L265 VanDerWaalsContact O-N 3.14Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 2.82Å
266N66.3Low81.2Confident131 Ų131113.2 Ų113.270%0.70160%0.599SS**Hα-helixtrans-78.9-11178.4-70.6-19.9000113.8Y262Y262-N266 PolarHBondContact O-N 2.99Å
267A60.5Low80.6Confident87 Ų87116.3 Ų116.372%0.71961%0.61SS**THydrogen-bonded Turntrans-96.31.6175.900000113.1K263 L265K263-A267 VanDerWaalsContact O-CB 3.28Å; K263-A267 WeakPolarHBondContact O-CB 3.12Å; K263-A267 PolarHBondContact O-N 3.46Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 2.82Å
268S52.5Low79.5Confident158 Ų158114 Ų114100%1.10561%0.609SS**  trans-100.50170.4-173.10000110.9

Retrieved 268 of 268 residues in 65.6 ms (Link to these results)