A0A096NM38_PAPAN Loading...

LysM and putative peptidoglycan-binding domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A096NM38, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 215 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low46.2Very low240 Ų240142.2 Ų142.2100%1.18283%0.833SS**  092.20-60.1-128.417100105
2A43.1Very low45.4Very low93 Ų93143.1 Ų143.177%0.76982%0.823SS**  66.5128.49600000109.9
3D39.8Very low45.1Very low149 Ų149138.2 Ų138.280%0.79782%0.823SS**  cis-176174.7-0.8-138.7-46.6000106.3
4S50.6Low45.1Very low108 Ų108133.6 Ų133.676%0.75582%0.818SS**  trans85.596.2156.9-550000119.7
5S49.2Very low45.4Very low114 Ų114136.3 Ų136.380%0.79783%0.825SS**  trans-65.3168.5142.3-46.80000112.4
6P59.5Low45.6Very low122 Ų122143.3 Ų143.379%0.79283%0.832SS**  trans-123.8119140.825.7-9.2000110.4
7A43.9Very low46.3Very low88 Ų88139.8 Ų139.873%0.72782%0.823SS**  65.894.495.200000113.4
8L43.5Very low46.9Very low173 Ų173138.9 Ų138.991%0.90682%0.822SS**  60.8102.796.1-65.9-166.6000115.2
9S47.4Very low47.6Very low124 Ų124144.2 Ų144.287%0.86783%0.827SS**  trans-108.2102.2150.420.50000109.4
10L47.4Very low47.7Very low163 Ų163143.5 Ų143.585%0.85383%0.828SS**  trans-52.8142.7153.3-102145.8000109.9
11R42.8Very low48.1Very low190 Ų190142.1 Ų142.172%0.71783%0.826SS**  165.1127.8115.4-171.671178.2176.712.5111.9
12E37.2Very low48.9Very low153 Ų153135 Ų13572%0.71581%0.805SS**  trans53.4133.5154.6-76.8168.514500119.3
13G41.9Very low49.4Very low80 Ų80136.6 Ų136.683%0.82581%0.808SS**  cis121.6103.437.200000106.5
14G44Very low50.2Low73 Ų73134.5 Ų134.575%0.75381%0.805SS**  trans-167.465.1-172.100000113.3R16G14-R16 PolarHBondContact O-N 3.21Å
15L49.8Very low50.7Low175 Ų175134.9 Ų134.992%0.91681%0.805SS**  trans13.999.7152.7-56.8173.1000117A17L15-A17 PolarHBondContact O-N 3.45Å; L15-A17 VanDerWaalsContact O-N 3.09Å
16R49.3Very low51.2Low248 Ų248134.6 Ų134.694%0.93680%0.801SS**  trans-66.9100.3161.7-174.8-179.9-178.5-174.50.8108.6G14G14-R16 PolarHBondContact O-N 3.21Å
17A57.4Low50.9Low83 Ų83134.7 Ų134.769%0.68680%0.801SS**PPolyproline II helixtrans-59132.9174.500000110.9L15L15-A17 PolarHBondContact O-N 3.45Å; L15-A17 VanDerWaalsContact O-N 3.09Å
18P56.1Low51.3Low125 Ų125141.4 Ų141.481%0.81281%0.808SS**PPolyproline II helixtrans-72.2135.3173.128.8-31.6000110.2
19R60.6Low51.3Low239 Ų239138.7 Ų138.790%0.90280%0.803SS**PPolyproline II helixtrans-61.8137.5173.9-65.7179.1173.7-160-2.5109.5S21R19-S21 PolarHBondContact O-N 3.28Å
20P50.6Low51.9Low130 Ų130144.8 Ų144.884%0.84481%0.807SS**PPolyproline II helixtrans-68.4123.6175.827-31.8000110.1A22P20-A22 PolarHBondContact O-N 3.24Å
21S56.2Low51.9Low114 Ų114142 Ų14280%0.79780%0.801SS**PPolyproline II helixtrans-62.5120.3167.1490000109.4R19R19-S21 PolarHBondContact O-N 3.28Å
22A57.7Low52.4Low90 Ų90135.7 Ų135.774%0.74480%0.795SS**PPolyproline II helixtrans-64.4140.1171.200000110.1P20 S24P20-A22 PolarHBondContact O-N 3.24Å; A22-S24 PolarHBondContact O-N 3.38Å
23P53Low53.3Low128 Ų128133.6 Ų133.683%0.83180%0.797SS**PPolyproline II helixtrans-70.3131.2177.328.1-32.5000110.6
24S56.6Low53.9Low105 Ų105135.7 Ų135.773%0.73479%0.786SS**PPolyproline II helixtrans-62.6137.4167.545.10000110.6A22A22-S24 PolarHBondContact O-N 3.38Å
25P60.1Low54.5Low116 Ų116136.7 Ų136.775%0.75378%0.781SS**PPolyproline II helixtrans-69.2146.7179.428.6-33.4000111.3
26P60.4Low54.9Low108 Ų108135.8 Ų135.870%0.70177%0.772SS**PPolyproline II helixtrans-69.1149.4178.729.4-34.2000111R28P26-R28 PolarHBondContact O-N 2.74Å
27P53.1Low55.3Low124 Ų124129.6 Ų129.681%0.80575%0.754SS**PPolyproline II helixtrans-66.2119.3170.928.1-31.4000108.6S29P27-S29 PolarHBondContact O-N 3.13Å; P27-S29 VanDerWaalsContact O-N 3.14Å
28R51.7Low55.4Low228 Ų228127.6 Ų127.686%0.8674%0.738SS**  trans-64.8113.4174.2-81.2-177.1168.2-138-0.7109.1P26 R30P26-R28 PolarHBondContact O-N 2.74Å; R28-R30 PolarHBondContact O-N 2.99Å
29S45.1Very low55.5Low116 Ų116128.4 Ų128.481%0.81173%0.731SS**  trans-60.5120.7163.6-63.10000109.1P27 S31P27-S29 PolarHBondContact O-N 3.13Å; P27-S29 VanDerWaalsContact O-N 3.14Å; S29-S31 PolarHBondContact O-N 3.24Å
30R58.9Low55.3Low253 Ų253122.6 Ų122.696%0.95572%0.716SS**  trans-48.1123.1163.8-114.1175.2168.9-176.6-3.9109.7R28R28-R30 PolarHBondContact O-N 2.99Å
31S47.4Very low55.8Low103 Ų103120.1 Ų120.172%0.7270%0.703SS**  trans-159.1106.9157.7-173.60000110.5S29S29-S31 PolarHBondContact O-N 3.24Å
32G53.2Low56.2Low58 Ų58119.7 Ų119.760%0.59869%0.691SS**SBendtrans65116.3144.800000118.3
33S57.1Low56.3Low109 Ų109118 Ų11876%0.76267%0.673SS**  trans72.367153.1-39.80000115E37S33-E37 VanDerWaalsContact O-OE1 3.09Å
34E54Low56.6Low125 Ų125117.6 Ų117.658%0.58466%0.664SS**  trans-12818.6179.6-49-177.7123.400112.6A38E34-A38 WeakPolarHBondContact O-CB 3.49Å
35S57.1Low56.8Low93 Ų93116.3 Ų116.365%0.6566%0.659SS**SBendtrans-89.6-36.4-171.8-55.80000112.6E39S35-E39 WeakPolarHBondContact O-CG 3.06Å; S35-E39 PolarHBondContact O-N 2.81Å
36E57.6Low56.9Low156 Ų156121.1 Ų121.173%0.72966%0.663SS**Hα-helixtrans-87.9-39.2-174.1-56.5-166.3139.500112.1A38 E39 L40E36-A38 PolarHBondContact O-N 3.02Å; E36-E39 PolarHBondContact O-N 2.79Å; E36-L40 WeakPolarHBondContact O-CG 3Å; E36-L40 PolarHBondContact O-N 3.36Å; E36-L40 VanDerWaalsContact O-N 3.1Å
37E56.8Low56.8Low119 Ų119120.1 Ų120.156%0.55666%0.655SS**Hα-helixtrans-70.7-28.4174.856.4-118.291.200113.9S33 S41S33-E37 VanDerWaalsContact O-OE1 3.09Å; E37-S41 VanDerWaalsContact O-CB 3.25Å; E37-S41 WeakPolarHBondContact O-CB 3.48Å; E37-S41 PolarHBondContact O-N 3.13Å; E37-S41 PolarHBondContact O-OG 2.88Å
38A60Low57.3Low41 Ų41123.5 Ų123.534%0.33966%0.657SS.*Hα-helixtrans-71.5-38.6174.300000111.2E34 E36 S41 L42E34-A38 WeakPolarHBondContact O-CB 3.49Å; E36-A38 PolarHBondContact O-N 3.02Å; A38-S41 PolarHBondContact O-N 3.25Å; A38-L42 VanDerWaalsContact O-CB 3.26Å; A38-L42 WeakPolarHBondContact O-CB 3.27Å; A38-L42 VanDerWaalsContact O-CD1 3.31Å; A38-L42 WeakPolarHBondContact O-CD1 3.47Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.22Å; A38-L42 PolarHBondContact O-N 3.29Å
39E59Low57.9Low142 Ų142118.3 Ų118.366%0.66465%0.65SS**Hα-helixtrans-67-38.9174.7-76.9-164.3165.500112.4S35 E36 L42 S43S35-E39 WeakPolarHBondContact O-CG 3.06Å; S35-E39 PolarHBondContact O-N 2.81Å; E36-E39 PolarHBondContact O-N 2.79Å; E39-L42 PolarHBondContact O-N 3.01Å; E39-S43 WeakPolarHBondContact O-CB 3.28Å; E39-S43 PolarHBondContact O-N 3.23Å; E39-S43 PolarHBondContact O-OG 3.45Å
40L56.2Low58.8Low116 Ų116121.7 Ų121.761%0.60765%0.645SS**Hα-helixtrans-67.4-37.2173.6-66.6174.9000112.1E36 S43 L44E36-L40 WeakPolarHBondContact O-CG 3Å; E36-L40 PolarHBondContact O-N 3.36Å; E36-L40 VanDerWaalsContact O-N 3.1Å; L40-S43 VanDerWaalsContact CA-OG 3.29Å; L40-S43 WeakPolarHBondContact CA-OG 3.3Å; L40-S43 PolarHBondContact O-OG 3.04Å; L40-L44 PolarHBondContact O-N 2.89Å
41S61.1Low59.5Low79 Ų79113.6 Ų113.655%0.55263%0.627SS**Hα-helixtrans-70.9-37.2175.5-63.10000112.6E37 A38 A45E37-S41 VanDerWaalsContact O-CB 3.25Å; E37-S41 WeakPolarHBondContact O-CB 3.48Å; E37-S41 PolarHBondContact O-N 3.13Å; E37-S41 PolarHBondContact O-OG 2.88Å; A38-S41 PolarHBondContact O-N 3.25Å; S41-A45 VanDerWaalsContact O-CB 3.24Å; S41-A45 WeakPolarHBondContact O-CB 3.46Å; S41-A45 PolarHBondContact O-N 3.43Å
42L63.3Low60.5Low105 Ų105119.7 Ų119.755%0.5564%0.636SS.*Hα-helixtrans-71.5-33.9175.5-78.8157.8000112.1A38 E39 R46A38-L42 VanDerWaalsContact O-CB 3.26Å; A38-L42 WeakPolarHBondContact O-CB 3.27Å; A38-L42 VanDerWaalsContact O-CD1 3.31Å; A38-L42 WeakPolarHBondContact O-CD1 3.47Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.22Å; A38-L42 PolarHBondContact O-N 3.29Å; E39-L42 PolarHBondContact O-N 3.01Å; L42-R46 WeakPolarHBondContact O-CG 3.31Å; L42-R46 PolarHBondContact O-N 3.4Å
43S60.1Low61.5Low54 Ų54120 Ų12038%0.37864%0.639SS.*Hα-helixtrans-73.2-38.8174.754.80000112.2E39 L40 R46 T47E39-S43 WeakPolarHBondContact O-CB 3.28Å; E39-S43 PolarHBondContact O-N 3.23Å; E39-S43 PolarHBondContact O-OG 3.45Å; L40-S43 VanDerWaalsContact CA-OG 3.29Å; L40-S43 WeakPolarHBondContact CA-OG 3.3Å; L40-S43 PolarHBondContact O-OG 3.04Å; S43-R46 PolarHBondContact O-N 3.14Å; S43-T47 PolarHBondContact O-N 3.14Å
44L59.6Low62.3Low120 Ų120117.2 Ų117.263%0.62862%0.62SS**Hα-helixtrans-68.7-32.1169.5-103.472.4000113.1L40 R46 T47L40-L44 PolarHBondContact O-N 2.89Å; L44-R46 PolarHBondContact O-N 2.91Å; L44-T47 CarbonylContact O-C 3.51Å; L44-T47 PolarHBondContact O-N 3.09Å; L44-T47 VanDerWaalsContact O-N 3.16Å; L44-T47 VanDerWaalsContact O-O 3.08Å; L44-T47 PolarHBondContact O-OG1 3.23Å; L44-T47 VanDerWaalsContact O-OG1 3.12Å
45A60.4Low63Low78 Ų78117.7 Ų117.765%0.64563%0.631SS**Hα-helixtrans-66.3-23.817500000112.7S41S41-A45 VanDerWaalsContact O-CB 3.24Å; S41-A45 WeakPolarHBondContact O-CB 3.46Å; S41-A45 PolarHBondContact O-N 3.43Å
46R61.9Low63.1Low217 Ų217116.3 Ų116.382%0.81963%0.626SS**Hα-helixtrans-79.7-27.6173.5-70.1172.5-175.3-170.73.1112.4L42 S43 L44 K48L42-R46 WeakPolarHBondContact O-CG 3.31Å; L42-R46 PolarHBondContact O-N 3.4Å; S43-R46 PolarHBondContact O-N 3.14Å; L44-R46 PolarHBondContact O-N 2.91Å; R46-K48 PolarHBondContact O-N 2.96Å
47T59.3Low62.8Low87 Ų87113.3 Ų113.353%0.53462%0.622SS.*SBendtrans-88.585.2173.358.40000108.6S43 L44 T49S43-T47 PolarHBondContact O-N 3.14Å; L44-T47 CarbonylContact O-C 3.51Å; L44-T47 PolarHBondContact O-N 3.09Å; L44-T47 VanDerWaalsContact O-N 3.16Å; L44-T47 VanDerWaalsContact O-O 3.08Å; L44-T47 PolarHBondContact O-OG1 3.23Å; L44-T47 VanDerWaalsContact O-OG1 3.12Å; T47-T49 VanDerWaalsContact C-N 3.3Å; T47-T49 PolarHBondContact O-N 3.23Å
48K64.1Low62.7Low195 Ų195114.8 Ų114.885%0.84864%0.639SS**  trans-55.396.5172.5-173.4171-179.7176.50108.6R46 R50R46-K48 PolarHBondContact O-N 2.96Å; K48-R50 PolarHBondContact O-N 2.98Å
49T63.1Low62.5Low119 Ų119121 Ų12173%0.7365%0.653SS**  trans-55.5115.8173.951.60000105.9T47 S51T47-T49 VanDerWaalsContact C-N 3.3Å; T47-T49 PolarHBondContact O-N 3.23Å; T49-S51 VanDerWaalsContact C-N 3.34Å; T49-S51 PolarHBondContact O-N 3.4Å
50R65.4Low62.2Low187 Ų187117.5 Ų117.571%0.70665%0.649SS**  trans-63.2103.5177.8-128.8174.3-178.2-101.10.5104.9K48 Y52K48-R50 PolarHBondContact O-N 2.98Å; R50-Y52 PolarHBondContact O-N 3.03Å
51S73.8Confident62.1Low82 Ų82116.9 Ų116.957%0.57365%0.652SS**  trans-53.8129.81781770000108.4T49 G53 S54T49-S51 VanDerWaalsContact C-N 3.34Å; T49-S51 PolarHBondContact O-N 3.4Å; S51-G53 PolarHBondContact O-N 3.23Å; S51-S54 VanDerWaalsContact O-CB 3.32Å; S51-S54 WeakPolarHBondContact O-CB 3.28Å; S51-S54 PolarHBondContact O-N 3.23Å; S51-S54 PolarHBondContact O-OG 3.15Å
52Y68.6Low61.8Low232 Ų232120 Ų12091%0.9166%0.661SS**THydrogen-bonded Turntrans-52.8127.2175-174.5-96.5000109R50R50-Y52 PolarHBondContact O-N 3.03Å
53G73.3Confident61.3Low64 Ų64117.4 Ų117.466%0.6666%0.66SS**THydrogen-bonded Turntrans91.75.6-172.800000115.6S51 T55S51-G53 PolarHBondContact O-N 3.23Å; G53-T55 PolarHBondContact O-N 2.73Å
54S74.7Confident61.1Low51 Ų51120.6 Ų120.636%0.35769%0.69SS.*  trans-63.898.7169.1-66.90000110.9S51 A56S51-S54 VanDerWaalsContact O-CB 3.32Å; S51-S54 WeakPolarHBondContact O-CB 3.28Å; S51-S54 PolarHBondContact O-N 3.23Å; S51-S54 PolarHBondContact O-OG 3.15Å; S54-A56 PolarHBondContact O-N 2.87Å
55T68.8Low61Low134 Ų134115.6 Ų115.682%0.82267%0.668SS**  trans-7815.617158.70000112.8G53 S57G53-T55 PolarHBondContact O-N 2.73Å; T55-S57 WeakPolarHBondContact O-CA 3.34Å; T55-S57 PolarHBondContact O-N 3.06Å
56A57.9Low61.3Low65 Ų65113.8 Ų113.854%0.53765%0.648SS.*  trans-51.7106.9177.600000109.1S54S54-A56 PolarHBondContact O-N 2.87Å
57S52.3Low62Low92 Ų92106.8 Ų106.864%0.64363%0.626SS**  trans-18.7123.9-163.3-161.80000116.2T55 R59T55-S57 WeakPolarHBondContact O-CA 3.34Å; T55-S57 PolarHBondContact O-N 3.06Å; S57-R59 PolarHBondContact O-N 2.83Å
58V53.5Low63Low150 Ų150107 Ų10791%0.90962%0.621SS**  trans-65.362.9156.6-173.30000108.5
59R56.1Low64.2Low172 Ų172105 Ų10565%0.64961%0.609SS**  trans-115.244.3158.8-143.3175.9-175171.8-1.6106.9S57 E68S57-R59 PolarHBondContact O-N 2.83Å; R59-E68 IonicContact CZ-OE2 3.9Å; R59-E68 IonicContact NE-OE2 3.93Å; R59-E68 IonicContact NH2-OE2 3.02Å; R59-E68 PolarHBondContact NH2-OE2 3.18Å
60A53.7Low65.5Low69 Ų69104.2 Ų104.257%0.5760%0.596SS**  trans-61.4125.1157.500000105.3L62A60-L62 PolarHBondContact O-N 2.76Å; A60-L62 VanDerWaalsContact O-N 3.07Å
61P53Low66.7Low102 Ų10297.7 Ų97.766%0.66258%0.577SS**  trans-57121.5171.425.1-30.6000106.2G63P61-G63 VanDerWaalsContact C-N 3.28Å; P61-G63 PolarHBondContact O-N 3.42Å
62L54.3Low67.7Low144 Ų144100.4 Ų100.475%0.75458%0.581SS**SBendtrans-57.298170.9-83.983.5000106.9A60 V66A60-L62 PolarHBondContact O-N 2.76Å; A60-L62 VanDerWaalsContact O-N 3.07Å; L62-V66 HydrophobicContact CB-CG2 4.27Å; L62-V66 VanDerWaalsContact O-CB 3.3Å; L62-V66 WeakPolarHBondContact O-CB 3.46Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å
63G52.8Low68.9Low52 Ų5290.1 Ų90.154%0.53654%0.541SS..THydrogen-bonded Turntrans64150.1-179.300000114.5P61 G65P61-G63 VanDerWaalsContact C-N 3.28Å; P61-G63 PolarHBondContact O-N 3.42Å; G63-G65 PolarHBondContact O-N 3.48Å
64A55.8Low69.9Low120 Ų12096.1 Ų96.199%0.99254%0.544SS*.THydrogen-bonded Turntrans-67.120.6176.600000114.7
65G58.7Low70.8Confident16 Ų1694.8 Ų94.817%0.16553%0.533CS..THydrogen-bonded Turntrans-130.4-6.7-174.200000115.7G63 K121G63-G65 PolarHBondContact O-N 3.48Å; G65-K121 PolarHBondContact O-N 2.98Å
66V66.5Low71.8Confident39 Ų3997.3 Ų97.324%0.23653%0.528CS..EExtended strand (participates in β ladder)trans-92.9108.3-179179.80000109.9L62 I118 E120L62-V66 HydrophobicContact CB-CG2 4.27Å; L62-V66 VanDerWaalsContact O-CB 3.3Å; L62-V66 WeakPolarHBondContact O-CB 3.46Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å; V66-I118 HydrophobicContact CG1-CG2 3.21Å; V66-E120 HydrophobicContact CG2-CG 4.21Å
67I75.9Confident73.3Confident70 Ų7099.3 Ų99.336%0.35954%0.544SS..EExtended strand (participates in β ladder)trans-97106.9177.5-53.8175.3000107.9R69 S119 K121I67-R69 HydrophobicContact CG2-CG 3.79Å; I67-R69 PolarHBondContact O-N 2.64Å; I67-S119 PolarHBondContact N-O 3.49Å; I67-S119 PolarHBondContact O-N 3.03Å; I67-K121 HydrophobicContact CD1-CD 3.99Å; I67-K121 HydrophobicContact CD1-CG 4.11Å
68E81.6Confident75Confident92 Ų9298 Ų9843%0.4355%0.546SS..EExtended strand (participates in β ladder)trans-71.8108.5167-69.7-172.6177.800108.8R59R59-E68 IonicContact CZ-OE2 3.9Å; R59-E68 IonicContact NE-OE2 3.93Å; R59-E68 IonicContact NH2-OE2 3.02Å; R59-E68 PolarHBondContact NH2-OE2 3.18Å
69R87.7Confident76.7Confident154 Ų15492.9 Ų92.958%0.58151%0.513SS*.EExtended strand (participates in β ladder)trans-105.4139.3171-65-158.8-64.6165.2-2.7110.3I67 P116 V117I67-R69 HydrophobicContact CG2-CG 3.79Å; I67-R69 PolarHBondContact O-N 2.64Å; R69-P116 CarbonylContact O-C 3.4Å; R69-V117 PolarHBondContact N-O 3.25Å; R69-V117 WeakPolarHBondContact O-CA 3.5Å; R69-V117 PolarHBondContact O-N 2.94Å
70H90.4Very high78.5Confident102 Ų10288.3 Ų88.347%0.47250%0.504SS..EExtended strand (participates in β ladder)trans-98.8119.5176.5-73.790.4000109.1N114 I115H70-N114 VanDerWaalsContact CB-OD1 3.23Å; H70-N114 WeakPolarHBondContact CB-OD1 3.24Å; H70-N114 PolarHBondContact CD2-OD1 3.35Å; H70-I115 WeakPolarHBondContact CA-O 3.46Å
71V92.3Very high80.3Confident50 Ų5086.1 Ų86.130%0.30348%0.483SS..EExtended strand (participates in β ladder)trans-107.5127.7177.5-179.50000109Y88 I115 V117V71-Y88 HydrophobicContact CB-CE1 4.43Å; V71-Y88 HydrophobicContact CG1-CE1 3.89Å; V71-I115 PolarHBondContact N-O 3.38Å; V71-I115 PolarHBondContact O-N 3.49Å; V71-V117 HydrophobicContact CB-CG2 4.18Å; V71-V117 HydrophobicContact CG2-CB 4.34Å; V71-V117 HydrophobicContact CG2-CG2 3.68Å
72E94.5Very high82.1Confident139 Ų13987 Ų8765%0.6548%0.478SS*.EExtended strand (participates in β ladder)trans-84.5119.8173.2-170.2172.6-169.900110.2T112 L113E72-T112 HydrophobicContact CG-CG2 4.11Å; E72-T112 WeakPolarHBondContact OE1-CB 3.42Å; E72-T112 VanDerWaalsContact OE1-CG2 3.27Å; E72-T112 WeakPolarHBondContact OE1-CG2 3.49Å; E72-T112 PolarHBondContact OE1-OG1 3.15Å; E72-L113 WeakPolarHBondContact CA-O 3.47Å
73H93.9Very high84Confident15 Ų1581.7 Ų81.77%0.06946%0.458CS..EExtended strand (participates in β ladder)trans-110.1123.4178.3179.480.2000110.5D79 Y88 T112 L113 I115H73-D79 IonicContact NE2-OD2 3.45Å; H73-D79 PolarHBondContact NE2-OD2 3.33Å; H73-Y88 HydrophobicContact CB-CE2 4.17Å; H73-Y88 AromaticContact CG-CE2 3.91Å; H73-Y88 AromaticContact ND1-CE2 3.51Å; H73-Y88 AromaticContact ND1-CZ 3.62Å; H73-Y88 PolarHBondContact ND1-OH 2.88Å; H73-T112 CarbonylContact O-C 3.47Å; H73-T112 WeakPolarHBondContact O-CA 3.49Å; H73-L113 PolarHBondContact N-O 2.86Å; H73-L113 PolarHBondContact O-N 3.29Å; H73-I115 HydrophobicContact CB-CD1 3.46Å; H73-I115 VanDerWaalsContact CB-CD1 3.46Å; H73-I115 HydrophobicContact CB-CG1 4.24Å
74R94.1Very high85.9Confident191 Ų19179.3 Ų79.372%0.72143%0.433SS*.EExtended strand (participates in β ladder)trans-82.9119.3176.1-171.9176.8178.7-179-1.2110.6K111 T112R74-K111 WeakPolarHBondContact CA-O 3.25Å; R74-K111 WeakPolarHBondContact CG-O 3.4Å; R74-T112 HydrophobicContact CB-CG2 4.3Å; R74-T112 HydrophobicContact CG-CG2 4.38Å
75V92.3Very high87.7Confident22 Ų2273.9 Ų73.913%0.13339%0.388CS..  trans-72.9131.3-177.7-175.20000110D79 F108 K111 L113V75-D79 HydrophobicContact CG1-CB 4.36Å; V75-F108 HydrophobicContact CG1-CD1 4.04Å; V75-K111 PolarHBondContact N-O 2.91Å; V75-L113 HydrophobicContact CG2-CD1 3.86Å; V75-L113 HydrophobicContact CG2-CG 3.7Å
76R91.6Very high89.3Confident188 Ų18879.4 Ų79.471%0.70941%0.413SS*.  trans-114.5161.8175.5-59.9-175.1178.3-158-0.3110.8G78 D79R76-G78 PolarHBondContact O-N 2.68Å; R76-D79 WeakPolarHBondContact CB-OD2 3.49Å; R76-D79 PolarHBondContact N-OD2 2.68Å; R76-D79 PolarHBondContact O-N 3.21Å; R76-D79 VanDerWaalsContact O-N 3.13Å
77A88.3Confident90.5Very high107 Ų10784.3 Ų84.388%0.88443%0.431SS*.THydrogen-bonded Turntrans-62.9121.6172.500000109.3
78G87.6Confident91.3Very high65 Ų6583.6 Ų83.667%0.6742%0.424SS*.THydrogen-bonded Turntrans101.2-11.1-175.800000115R76R76-G78 PolarHBondContact O-N 2.68Å
79D90.6Very high91.7Very high42 Ų4282.8 Ų82.823%0.22544%0.44CS..  trans-67.4137.7171-71.5-27.2000110H73 V75 R76 I84 I107 F108H73-D79 IonicContact NE2-OD2 3.45Å; H73-D79 PolarHBondContact NE2-OD2 3.33Å; V75-D79 HydrophobicContact CG1-CB 4.36Å; R76-D79 WeakPolarHBondContact CB-OD2 3.49Å; R76-D79 PolarHBondContact N-OD2 2.68Å; R76-D79 PolarHBondContact O-N 3.21Å; R76-D79 VanDerWaalsContact O-N 3.13Å; D79-I84 HydrophobicContact CB-CD1 4.09Å; D79-I84 HydrophobicContact CB-CG1 4.38Å; D79-I107 WeakPolarHBondContact O-CD1 3.26Å; D79-F108 WeakPolarHBondContact O-CE1 3.49Å; D79-F108 WeakPolarHBondContact O-CZ 3.44Å
80T92.3Very high91.9Very high76 Ų7676.1 Ų76.147%0.46642%0.417SS..  trans-116.8149.9172.964.70000109.3Q82 G83 I84T80-Q82 PolarHBondContact O-N 2.86Å; T80-G83 PolarHBondContact O-N 3.32Å; T80-G83 VanDerWaalsContact O-N 3.09Å; T80-G83 PolarHBondContact OG1-N 2.73Å; T80-I84 VanDerWaalsContact O-CG1 3.31Å; T80-I84 WeakPolarHBondContact O-CG1 3.13Å; T80-I84 PolarHBondContact O-N 3.03Å
81L91.2Very high92Very high22 Ų2274.2 Ų74.212%0.11541%0.413CS..Hα-helixtrans-59.5-35.9179.5-17864.9000111.1A85 M92 I95 K96 I107L81-A85 VanDerWaalsContact O-CB 3.28Å; L81-A85 WeakPolarHBondContact O-CB 3.43Å; L81-A85 PolarHBondContact O-N 3.25Å; L81-M92 HydrophobicContact CB-CE 4.25Å; L81-M92 HydrophobicContact CD2-CB 4.25Å; L81-M92 HydrophobicContact CD2-CE 3.82Å; L81-M92 HydrophobicContact CG-CB 4.39Å; L81-M92 HydrophobicContact CG-CE 4.09Å; L81-M92 HydrophobicContact CG-CG 4.29Å; L81-I95 HydrophobicContact CD1-CB 3.94Å; L81-I95 HydrophobicContact CD1-CD1 4.14Å; L81-I95 HydrophobicContact CD1-CG2 3.52Å; L81-K96 HydrophobicContact CD2-CD 4.16Å; L81-K96 HydrophobicContact CD2-CG 3.83Å; L81-I107 HydrophobicContact CB-CD1 4.36Å; L81-I107 HydrophobicContact CB-CG2 4.01Å; L81-I107 HydrophobicContact CD1-CG2 3.99Å; L81-I107 HydrophobicContact CG-CG2 4.41Å
82Q92.6Very high92Very high121 Ų12174.8 Ų74.857%0.56541%0.412SS*.Hα-helixtrans-66.3-45.7174.3-173.2179.2-0.300111.8T80 I84 A85 L86 M92T80-Q82 PolarHBondContact O-N 2.86Å; Q82-I84 VanDerWaalsContact C-N 3.32Å; Q82-I84 PolarHBondContact O-N 3Å; Q82-A85 WeakPolarHBondContact O-CB 3.28Å; Q82-A85 PolarHBondContact O-N 2.86Å; Q82-L86 HydrophobicContact CG-CD1 4.37Å; Q82-L86 WeakPolarHBondContact O-CG 3.46Å; Q82-L86 PolarHBondContact O-N 3.31Å; Q82-M92 HydrophobicContact CB-SD 4.05Å; Q82-M92 HydrophobicContact CG-SD 4.37Å
83G93.8Very high91.9Very high32 Ų3273.1 Ų73.133%0.3341%0.405SS..Hα-helixtrans-62.3-39.5176.700000112.5T80 K87T80-G83 PolarHBondContact O-N 3.32Å; T80-G83 VanDerWaalsContact O-N 3.09Å; T80-G83 PolarHBondContact OG1-N 2.73Å; G83-K87 VanDerWaalsContact O-CB 3.3Å; G83-K87 WeakPolarHBondContact O-CB 3.41Å; G83-K87 PolarHBondContact O-N 2.98Å
84I92.9Very high91.7Very high3 Ų374.6 Ų74.62%0.01541%0.412CS..Hα-helixtrans-65.3-46174.1-64.2171000110.3D79 T80 Q82 L86 K87 Y88 I95 I107 L113 I115D79-I84 HydrophobicContact CB-CD1 4.09Å; D79-I84 HydrophobicContact CB-CG1 4.38Å; T80-I84 VanDerWaalsContact O-CG1 3.31Å; T80-I84 WeakPolarHBondContact O-CG1 3.13Å; T80-I84 PolarHBondContact O-N 3.03Å; Q82-I84 VanDerWaalsContact C-N 3.32Å; Q82-I84 PolarHBondContact O-N 3Å; I84-L86 VanDerWaalsContact C-N 3.34Å; I84-L86 PolarHBondContact O-N 3.33Å; I84-K87 PolarHBondContact O-N 3.44Å; I84-Y88 HydrophobicContact CG2-CD2 3.84Å; I84-Y88 HydrophobicContact CG2-CE2 4.05Å; I84-Y88 VanDerWaalsContact O-CD2 3.28Å; I84-Y88 WeakPolarHBondContact O-CD2 3.23Å; I84-Y88 PolarHBondContact O-N 3.24Å; I84-Y88 VanDerWaalsContact O-N 3.13Å; I84-I95 HydrophobicContact CG2-CD1 3.96Å; I84-I107 HydrophobicContact CD1-CD1 4.07Å; I84-L113 HydrophobicContact CD1-CD1 3.88Å; I84-I115 HydrophobicContact CG2-CD1 3.36Å; I84-I115 HydrophobicContact CG2-CG1 4.39Å
85A92.7Very high91.6Very high6 Ų665.5 Ų65.55%0.0538%0.377CS..Hα-helixtrans-54-50.217700000111.8L81 Q82 Y88 G89 V90 M92 I95L81-A85 VanDerWaalsContact O-CB 3.28Å; L81-A85 WeakPolarHBondContact O-CB 3.43Å; L81-A85 PolarHBondContact O-N 3.25Å; Q82-A85 WeakPolarHBondContact O-CB 3.28Å; Q82-A85 PolarHBondContact O-N 2.86Å; A85-Y88 PolarHBondContact O-N 2.92Å; A85-G89 PolarHBondContact O-N 2.89Å; A85-V90 CarbonylContact C-O 3.52Å; A85-V90 WeakPolarHBondContact CA-O 3.3Å; A85-V90 VanDerWaalsContact CB-O 3.28Å; A85-V90 WeakPolarHBondContact CB-O 3.39Å; A85-V90 PolarHBondContact O-N 2.72Å; A85-V90 VanDerWaalsContact O-O 3.13Å; A85-M92 HydrophobicContact CB-CG 3.93Å; A85-I95 HydrophobicContact CB-CD1 3.89Å
86L92.6Very high91.6Very high131 Ų13166.6 Ų66.669%0.68638%0.38SS*.Hα-helixtrans-62-44.5177.2-67.9171.7000112.4Q82 I84 Y88 G89Q82-L86 HydrophobicContact CG-CD1 4.37Å; Q82-L86 WeakPolarHBondContact O-CG 3.46Å; Q82-L86 PolarHBondContact O-N 3.31Å; I84-L86 VanDerWaalsContact C-N 3.34Å; I84-L86 PolarHBondContact O-N 3.33Å; L86-Y88 PolarHBondContact O-N 2.64Å; L86-G89 PolarHBondContact O-N 3.27Å
87K92.4Very high91.5Very high143 Ų14366.2 Ų66.262%0.62238%0.379SS*.Hα-helixtrans-58.4-35.8180179.6177.2-179.2177.30113.1G83 I84G83-K87 VanDerWaalsContact O-CB 3.3Å; G83-K87 WeakPolarHBondContact O-CB 3.41Å; G83-K87 PolarHBondContact O-N 2.98Å; I84-K87 PolarHBondContact O-N 3.44Å
88Y91.2Very high91.6Very high55 Ų5563 Ų6322%0.21635%0.352CS..Hα-helixtrans-102.90.3-175.9-70.3-81.3000113.6V71 H73 I84 A85 L86 V90 I115 V117V71-Y88 HydrophobicContact CB-CE1 4.43Å; V71-Y88 HydrophobicContact CG1-CE1 3.89Å; H73-Y88 HydrophobicContact CB-CE2 4.17Å; H73-Y88 AromaticContact CG-CE2 3.91Å; H73-Y88 AromaticContact ND1-CE2 3.51Å; H73-Y88 AromaticContact ND1-CZ 3.62Å; H73-Y88 PolarHBondContact ND1-OH 2.88Å; I84-Y88 HydrophobicContact CG2-CD2 3.84Å; I84-Y88 HydrophobicContact CG2-CE2 4.05Å; I84-Y88 VanDerWaalsContact O-CD2 3.28Å; I84-Y88 WeakPolarHBondContact O-CD2 3.23Å; I84-Y88 PolarHBondContact O-N 3.24Å; I84-Y88 VanDerWaalsContact O-N 3.13Å; A85-Y88 PolarHBondContact O-N 2.92Å; L86-Y88 PolarHBondContact O-N 2.64Å; Y88-V90 VanDerWaalsContact C-N 3.32Å; Y88-V90 PolarHBondContact O-N 3.31Å; Y88-I115 HydrophobicContact CD1-CD1 4.36Å; Y88-I115 HydrophobicContact CD1-CG2 4.41Å; Y88-I115 HydrophobicContact CD2-CD1 3.26Å; Y88-I115 HydrophobicContact CD2-CG2 4.33Å; Y88-I115 HydrophobicContact CE1-CD1 4.39Å; Y88-I115 HydrophobicContact CE2-CD1 3.31Å; Y88-I115 HydrophobicContact CG-CD1 3.84Å; Y88-I115 HydrophobicContact CG-CG2 3.92Å; Y88-V117 HydrophobicContact CD1-CG2 4Å
89G90.8Very high91.9Very high74 Ų7460.6 Ų60.676%0.76332%0.324SS*.THydrogen-bonded Turntrans65.732.3-179.500000113.6A85 L86A85-G89 PolarHBondContact O-N 2.89Å; L86-G89 PolarHBondContact O-N 3.27Å
90V92.3Very high91.9Very high15 Ų1567.3 Ų67.39%0.09135%0.351CS..  trans-122163.9-178.1-60.80000110.3A85 Y88 I95 I115 P116A85-V90 CarbonylContact C-O 3.52Å; A85-V90 WeakPolarHBondContact CA-O 3.3Å; A85-V90 VanDerWaalsContact CB-O 3.28Å; A85-V90 WeakPolarHBondContact CB-O 3.39Å; A85-V90 PolarHBondContact O-N 2.72Å; A85-V90 VanDerWaalsContact O-O 3.13Å; Y88-V90 VanDerWaalsContact C-N 3.32Å; Y88-V90 PolarHBondContact O-N 3.31Å; V90-I95 HydrophobicContact CG2-CD1 3.56Å; V90-I95 HydrophobicContact CG2-CG1 3.58Å; V90-I115 HydrophobicContact CG1-CG2 4.2Å; V90-I115 HydrophobicContact CG2-CG2 3.78Å; V90-P116 WeakPolarHBondContact CG1-O 3.44Å
91T92.8Very high91.7Very high62 Ų6264.5 Ų64.538%0.3833%0.333SS..  trans-86.3156175.689.70000112.3E93 Q94 I95T91-E93 WeakPolarHBondContact CB-OE2 3.47Å; T91-E93 PolarHBondContact O-N 3.39Å; T91-E93 PolarHBondContact OG1-N 2.92Å; T91-E93 PolarHBondContact OG1-OE2 3.43Å; T91-Q94 WeakPolarHBondContact O-CB 3.45Å; T91-Q94 PolarHBondContact O-N 2.9Å; T91-Q94 VanDerWaalsContact O-N 3.16Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.46Å; T91-Q94 PolarHBondContact OG1-N 2.86Å; T91-I95 PolarHBondContact O-N 3.37Å; T91-I95 VanDerWaalsContact O-N 3.16Å
92M92.4Very high91.5Very high61 Ų6170.8 Ų70.830%0.336%0.36SS..Hα-helixtrans-60-37176.7-66.9176.263.500111.4L81 Q82 A85 Q94 I95 K96L81-M92 HydrophobicContact CB-CE 4.25Å; L81-M92 HydrophobicContact CD2-CB 4.25Å; L81-M92 HydrophobicContact CD2-CE 3.82Å; L81-M92 HydrophobicContact CG-CB 4.39Å; L81-M92 HydrophobicContact CG-CE 4.09Å; L81-M92 HydrophobicContact CG-CG 4.29Å; Q82-M92 HydrophobicContact CB-SD 4.05Å; Q82-M92 HydrophobicContact CG-SD 4.37Å; A85-M92 HydrophobicContact CB-CG 3.93Å; M92-Q94 VanDerWaalsContact C-N 3.35Å; M92-I95 PolarHBondContact O-N 3.16Å; M92-K96 WeakPolarHBondContact O-CB 3.46Å; M92-K96 VanDerWaalsContact O-CG 3.27Å; M92-K96 WeakPolarHBondContact O-CG 3.4Å; M92-K96 PolarHBondContact O-N 3.23Å
93E91.4Very high91.1Very high105 Ų10570.7 Ų70.749%0.49137%0.367SS..Hα-helixtrans-67.4-36.3178.5-5766.3-138.600111.3T91 R97T91-E93 WeakPolarHBondContact CB-OE2 3.47Å; T91-E93 PolarHBondContact O-N 3.39Å; T91-E93 PolarHBondContact OG1-N 2.92Å; T91-E93 PolarHBondContact OG1-OE2 3.43Å; E93-R97 VanDerWaalsContact O-CB 3.28Å; E93-R97 WeakPolarHBondContact O-CB 3.23Å; E93-R97 VanDerWaalsContact O-CG 3.23Å; E93-R97 WeakPolarHBondContact O-CG 3.28Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NE 3.49Å
94Q90.9Very high90.5Very high46 Ų4676.3 Ų76.322%0.21539%0.39CS..Hα-helixtrans-64.4-46.7174.6-71.8172.3-2700110.7T91 M92 R97 A98 P116T91-Q94 WeakPolarHBondContact O-CB 3.45Å; T91-Q94 PolarHBondContact O-N 2.9Å; T91-Q94 VanDerWaalsContact O-N 3.16Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.46Å; T91-Q94 PolarHBondContact OG1-N 2.86Å; M92-Q94 VanDerWaalsContact C-N 3.35Å; Q94-R97 PolarHBondContact O-N 3.32Å; Q94-A98 VanDerWaalsContact O-CB 3.3Å; Q94-A98 WeakPolarHBondContact O-CB 3.21Å; Q94-A98 PolarHBondContact O-N 3.2Å; Q94-P116 HydrophobicContact CB-CG 4.09Å
95I91.5Very high90Very high0 Ų079.6 Ų79.60%041%0.408CS..Hα-helixtrans-62.8-45.2175.9-60.7169.6000110.7L81 I84 A85 V90 T91 M92 R97 A98 N99 L113 I115L81-I95 HydrophobicContact CD1-CB 3.94Å; L81-I95 HydrophobicContact CD1-CD1 4.14Å; L81-I95 HydrophobicContact CD1-CG2 3.52Å; I84-I95 HydrophobicContact CG2-CD1 3.96Å; A85-I95 HydrophobicContact CB-CD1 3.89Å; V90-I95 HydrophobicContact CG2-CD1 3.56Å; V90-I95 HydrophobicContact CG2-CG1 3.58Å; T91-I95 PolarHBondContact O-N 3.37Å; T91-I95 VanDerWaalsContact O-N 3.16Å; M92-I95 PolarHBondContact O-N 3.16Å; I95-R97 PolarHBondContact O-N 3.31Å; I95-A98 PolarHBondContact O-N 2.85Å; I95-N99 WeakPolarHBondContact O-CB 2.96Å; I95-N99 PolarHBondContact O-N 2.83Å; I95-N99 PolarHBondContact O-ND2 2.77Å; I95-L113 HydrophobicContact CG2-CD1 4.44Å; I95-I115 HydrophobicContact CG1-CG2 4.38Å
96K91.7Very high89.5Confident45 Ų4582.7 Ų82.720%0.19643%0.428CS..Hα-helixtrans-59.1-48.3178.3-77175.1-179.6-179.70111.5L81 M92 N99 K100 L101L81-K96 HydrophobicContact CD2-CD 4.16Å; L81-K96 HydrophobicContact CD2-CG 3.83Å; M92-K96 WeakPolarHBondContact O-CB 3.46Å; M92-K96 VanDerWaalsContact O-CG 3.27Å; M92-K96 WeakPolarHBondContact O-CG 3.4Å; M92-K96 PolarHBondContact O-N 3.23Å; K96-N99 CarbonylContact O-C 3.53Å; K96-N99 PolarHBondContact O-N 3.11Å; K96-K100 WeakPolarHBondContact O-CA 3.27Å; K96-K100 PolarHBondContact O-N 3.02Å; K96-L101 HydrophobicContact CB-CB 4.33Å; K96-L101 HydrophobicContact CG-CB 4.21Å; K96-L101 PolarHBondContact O-N 2.74Å
97R90.8Very high89.2Confident180 Ų18077 Ų7768%0.67940%0.398SS*.Hα-helixtrans-62.7-46.2177.9-75.4-176-66.7168.4-2.8112.1E93 Q94 I95 N99 K100E93-R97 VanDerWaalsContact O-CB 3.28Å; E93-R97 WeakPolarHBondContact O-CB 3.23Å; E93-R97 VanDerWaalsContact O-CG 3.23Å; E93-R97 WeakPolarHBondContact O-CG 3.28Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NE 3.49Å; Q94-R97 PolarHBondContact O-N 3.32Å; I95-R97 PolarHBondContact O-N 3.31Å; R97-N99 PolarHBondContact O-N 3.19Å; R97-K100 PolarHBondContact O-N 3.37Å
98A90.4Very high88.8Confident38 Ų3875.8 Ų75.831%0.31439%0.393SS..Hα-helixtrans-61.2-34.6178.900000112.5Q94 I95 P116Q94-A98 VanDerWaalsContact O-CB 3.3Å; Q94-A98 WeakPolarHBondContact O-CB 3.21Å; Q94-A98 PolarHBondContact O-N 3.2Å; I95-A98 PolarHBondContact O-N 2.85Å; A98-P116 HydrophobicContact CB-CG 4.07Å
99N91.9Very high88.4Confident16 Ų1680.1 Ų80.19%0.08642%0.419CS..Hα-helixtrans-982.3-179-69.7-76.9000114.4I95 K96 R97 L101 K110 L113 N114I95-N99 WeakPolarHBondContact O-CB 2.96Å; I95-N99 PolarHBondContact O-N 2.83Å; I95-N99 PolarHBondContact O-ND2 2.77Å; K96-N99 CarbonylContact O-C 3.53Å; K96-N99 PolarHBondContact O-N 3.11Å; R97-N99 PolarHBondContact O-N 3.19Å; N99-L101 HydrophobicContact CB-CD1 3.87Å; N99-L101 HydrophobicContact CB-CG 3.77Å; N99-L101 PolarHBondContact O-N 3.43Å; N99-K110 PolarHBondContact O-NZ 3.09Å; N99-L113 HydrophobicContact CB-CD2 4.2Å; N99-L113 WeakPolarHBondContact OD1-CA 3.35Å; N99-N114 PolarHBondContact ND2-N 3.07Å; N99-N114 PolarHBondContact ND2-O 2.79Å; N99-N114 PolarHBondContact OD1-N 2.76Å
100K91Very high88.1Confident183 Ų18380.3 Ų80.380%0.79640%0.399SS*.THydrogen-bonded Turntrans51.542.9-173.2-51.1177.6-178.4-178.40112.4K96 R97K96-K100 WeakPolarHBondContact O-CA 3.27Å; K96-K100 PolarHBondContact O-N 3.02Å; R97-K100 PolarHBondContact O-N 3.37Å
101L89.6Confident87.9Confident17 Ų1788.1 Ų88.19%0.08943%0.432CS..  trans-91.9132.9175.6-64.2171.3000109.7K96 N99 D105 I107 K110 L113K96-L101 HydrophobicContact CB-CB 4.33Å; K96-L101 HydrophobicContact CG-CB 4.21Å; K96-L101 PolarHBondContact O-N 2.74Å; N99-L101 HydrophobicContact CB-CD1 3.87Å; N99-L101 HydrophobicContact CB-CG 3.77Å; N99-L101 PolarHBondContact O-N 3.43Å; L101-D105 HydrophobicContact CB-CB 4.45Å; L101-D105 HydrophobicContact CD2-CB 4.08Å; L101-I107 HydrophobicContact CD1-CG2 4.13Å; L101-K110 HydrophobicContact CD2-CD 3.96Å; L101-L113 HydrophobicContact CD1-CD2 3.93Å
102F87Confident87.9Confident154 Ų15487.7 Ų87.768%0.67543%0.429SS*.  trans-83.4167.5170.4-64.4-79.9000111.3N104 D105F102-N104 PolarHBondContact O-N 2.79Å; F102-D105 WeakPolarHBondContact CD2-OD2 3.3Å; F102-D105 PolarHBondContact N-OD2 3.07Å; F102-D105 PolarHBondContact O-N 2.81Å; F102-D105 VanDerWaalsContact O-N 3.11Å
103T82.6Confident87.9Confident118 Ų11884.8 Ų84.872%0.72442%0.415SS*.THydrogen-bonded Turntrans-58.8-31.4-177.6-51.80000113.1
104N81.4Confident88Confident150 Ų15082.7 Ų82.780%0.80241%0.407SS*.THydrogen-bonded Turntrans-91-6.3-178.4-59.8-44.5000113.6F102 C106F102-N104 PolarHBondContact O-N 2.79Å; N104-C106 PolarHBondContact O-N 3.03Å
105D82.3Confident88.1Confident73 Ų7380.5 Ų80.539%0.3940%0.397SS..  trans-78.4126.9-175-67.1-14.1000110.7L101 F102L101-D105 HydrophobicContact CB-CB 4.45Å; L101-D105 HydrophobicContact CD2-CB 4.08Å; F102-D105 WeakPolarHBondContact CD2-OD2 3.3Å; F102-D105 PolarHBondContact N-OD2 3.07Å; F102-D105 PolarHBondContact O-N 2.81Å; F102-D105 VanDerWaalsContact O-N 3.11Å
106C83.4Confident88.1Confident71 Ų7181.2 Ų81.248%0.4840%0.401SS..  trans-80.2130.2173.6-46.10000110.5N104 F108 L109N104-C106 PolarHBondContact O-N 3.03Å; C106-F108 HydrophobicContact CB-CD2 4.37Å; C106-F108 PolarHBondContact O-N 3.49Å; C106-F108 VanDerWaalsContact O-N 3.14Å; C106-L109 HydrophobicContact CB-CD1 3.73Å; C106-L109 PolarHBondContact O-N 3.28Å; C106-L109 VanDerWaalsContact O-N 3.14Å
107I85.9Confident88.1Confident10 Ų1080.4 Ų80.45%0.05140%0.4CS..G310 helixtrans-60.6-25.6179.158.2169.2000113.4D79 L81 I84 L101 L109 K110 L113D79-I107 WeakPolarHBondContact O-CD1 3.26Å; L81-I107 HydrophobicContact CB-CD1 4.36Å; L81-I107 HydrophobicContact CB-CG2 4.01Å; L81-I107 HydrophobicContact CD1-CG2 3.99Å; L81-I107 HydrophobicContact CG-CG2 4.41Å; I84-I107 HydrophobicContact CD1-CD1 4.07Å; L101-I107 HydrophobicContact CD1-CG2 4.13Å; I107-L109 PolarHBondContact O-N 3.48Å; I107-K110 PolarHBondContact O-N 3.25Å; I107-L113 HydrophobicContact CB-CD1 4.25Å; I107-L113 HydrophobicContact CG2-CD1 4.18Å
108F84.1Confident87.8Confident118 Ų11875.3 Ų75.352%0.51839%0.386SS..G310 helixtrans-67-16.5179.7-52.7-67.1000113.6V75 D79 C106 K110V75-F108 HydrophobicContact CG1-CD1 4.04Å; D79-F108 WeakPolarHBondContact O-CE1 3.49Å; D79-F108 WeakPolarHBondContact O-CZ 3.44Å; C106-F108 HydrophobicContact CB-CD2 4.37Å; C106-F108 PolarHBondContact O-N 3.49Å; C106-F108 VanDerWaalsContact O-N 3.14Å; F108-K110 PolarHBondContact O-N 2.88Å
109L83.3Confident87.1Confident146 Ų14675.7 Ų75.776%0.76439%0.386SS*.G310 helixtrans-69.9-20.5172.7-83.673.4000111.6C106 I107C106-L109 HydrophobicContact CB-CD1 3.73Å; C106-L109 PolarHBondContact O-N 3.28Å; C106-L109 VanDerWaalsContact O-N 3.14Å; I107-L109 PolarHBondContact O-N 3.48Å
110K84.4Confident86.1Confident78 Ų7880.2 Ų80.234%0.33941%0.407SS..  trans-103137.6178.6-67.5-168.3173.4-179.10111N99 L101 I107 F108 L113N99-K110 PolarHBondContact O-NZ 3.09Å; L101-K110 HydrophobicContact CD2-CD 3.96Å; I107-K110 PolarHBondContact O-N 3.25Å; F108-K110 PolarHBondContact O-N 2.88Å; K110-L113 HydrophobicContact CB-CD2 4.31Å; K110-L113 HydrophobicContact CD-CD2 4.13Å
111K87.6Confident84.4Confident179 Ų17977.7 Ų77.778%0.77840%0.396SS*.SBendtrans-72.1-35174.3-63.9-179.4-178.5175.50111.5R74 V75R74-K111 WeakPolarHBondContact CA-O 3.25Å; R74-K111 WeakPolarHBondContact CG-O 3.4Å; V75-K111 PolarHBondContact N-O 2.91Å
112T92.8Very high82.7Confident54 Ų5482.1 Ų82.133%0.33143%0.426SS..EExtended strand (participates in β ladder)trans-139151.1-178.661.10000111.6E72 H73 R74E72-T112 HydrophobicContact CG-CG2 4.11Å; E72-T112 WeakPolarHBondContact OE1-CB 3.42Å; E72-T112 VanDerWaalsContact OE1-CG2 3.27Å; E72-T112 WeakPolarHBondContact OE1-CG2 3.49Å; E72-T112 PolarHBondContact OE1-OG1 3.15Å; H73-T112 CarbonylContact O-C 3.47Å; H73-T112 WeakPolarHBondContact O-CA 3.49Å; R74-T112 HydrophobicContact CB-CG2 4.3Å; R74-T112 HydrophobicContact CG-CG2 4.38Å
113L92.3Very high81.2Confident0 Ų080.4 Ų80.40%042%0.423CS..EExtended strand (participates in β ladder)trans-122.7135.6176.1-67178.4000109.8E72 H73 V75 I84 I95 N99 L101 I107 K110E72-L113 WeakPolarHBondContact CA-O 3.47Å; H73-L113 PolarHBondContact N-O 2.86Å; H73-L113 PolarHBondContact O-N 3.29Å; V75-L113 HydrophobicContact CG2-CD1 3.86Å; V75-L113 HydrophobicContact CG2-CG 3.7Å; I84-L113 HydrophobicContact CD1-CD1 3.88Å; I95-L113 HydrophobicContact CG2-CD1 4.44Å; N99-L113 HydrophobicContact CB-CD2 4.2Å; N99-L113 WeakPolarHBondContact OD1-CA 3.35Å; L101-L113 HydrophobicContact CD1-CD2 3.93Å; I107-L113 HydrophobicContact CB-CD1 4.25Å; I107-L113 HydrophobicContact CG2-CD1 4.18Å; K110-L113 HydrophobicContact CB-CD2 4.31Å; K110-L113 HydrophobicContact CD-CD2 4.13Å
114N93.4Very high79.7Confident60 Ų6083 Ų8332%0.32143%0.431SS..EExtended strand (participates in β ladder)trans-88.4117.7173-172.30.7000110.4H70 N99H70-N114 VanDerWaalsContact CB-OD1 3.23Å; H70-N114 WeakPolarHBondContact CB-OD1 3.24Å; H70-N114 PolarHBondContact CD2-OD1 3.35Å; N99-N114 PolarHBondContact ND2-N 3.07Å; N99-N114 PolarHBondContact ND2-O 2.79Å; N99-N114 PolarHBondContact OD1-N 2.76Å
115I93.8Very high78.3Confident0 Ų084.8 Ų84.80%043%0.432CS..EExtended strand (participates in β ladder)trans-111.9116.7-173.1-56.7-179.7000109.3H70 V71 H73 I84 Y88 V90 I95 V117H70-I115 WeakPolarHBondContact CA-O 3.46Å; V71-I115 PolarHBondContact N-O 3.38Å; V71-I115 PolarHBondContact O-N 3.49Å; H73-I115 HydrophobicContact CB-CD1 3.46Å; H73-I115 VanDerWaalsContact CB-CD1 3.46Å; H73-I115 HydrophobicContact CB-CG1 4.24Å; I84-I115 HydrophobicContact CG2-CD1 3.36Å; I84-I115 HydrophobicContact CG2-CG1 4.39Å; Y88-I115 HydrophobicContact CD1-CD1 4.36Å; Y88-I115 HydrophobicContact CD1-CG2 4.41Å; Y88-I115 HydrophobicContact CD2-CD1 3.26Å; Y88-I115 HydrophobicContact CD2-CG2 4.33Å; Y88-I115 HydrophobicContact CE1-CD1 4.39Å; Y88-I115 HydrophobicContact CE2-CD1 3.31Å; Y88-I115 HydrophobicContact CG-CD1 3.84Å; Y88-I115 HydrophobicContact CG-CG2 3.92Å; V90-I115 HydrophobicContact CG1-CG2 4.2Å; V90-I115 HydrophobicContact CG2-CG2 3.78Å; I95-I115 HydrophobicContact CG1-CG2 4.38Å; I115-V117 HydrophobicContact CG2-CG2 4.04Å; I115-V117 PolarHBondContact O-N 3.03Å
116P91.6Very high76.7Confident15 Ų1586.2 Ų86.210%0.09744%0.44CS..EExtended strand (participates in β ladder)trans-78.489.6177.132.5-33.5000109.8R69 V90 Q94 A98 I118R69-P116 CarbonylContact O-C 3.4Å; V90-P116 WeakPolarHBondContact CG1-O 3.44Å; Q94-P116 HydrophobicContact CB-CG 4.09Å; A98-P116 HydrophobicContact CB-CG 4.07Å; P116-I118 PolarHBondContact O-N 2.9Å
117V90.8Very high75.3Confident28 Ų2886.7 Ų86.717%0.1746%0.456CS..EExtended strand (participates in β ladder)trans-80.3114175.2-176.50000108.9R69 V71 Y88 I115 S119R69-V117 PolarHBondContact N-O 3.25Å; R69-V117 WeakPolarHBondContact O-CA 3.5Å; R69-V117 PolarHBondContact O-N 2.94Å; V71-V117 HydrophobicContact CB-CG2 4.18Å; V71-V117 HydrophobicContact CG2-CB 4.34Å; V71-V117 HydrophobicContact CG2-CG2 3.68Å; Y88-V117 HydrophobicContact CD1-CG2 4Å; I115-V117 HydrophobicContact CG2-CG2 4.04Å; I115-V117 PolarHBondContact O-N 3.03Å; V117-S119 PolarHBondContact O-N 3.36Å
118I84.8Confident73.8Confident74 Ų7493.6 Ų93.638%0.37949%0.493SS..EExtended strand (participates in β ladder)trans-84.3102.6175.4-55.8176.7000106.5V66 P116V66-I118 HydrophobicContact CG1-CG2 3.21Å; P116-I118 PolarHBondContact O-N 2.9Å
119S75.9Confident71.9Confident45 Ų4593.7 Ų93.732%0.31550%0.499SS..EExtended strand (participates in β ladder)trans-100.1105.8174.4-172.90000107.6I67 V117 K121I67-S119 PolarHBondContact N-O 3.49Å; I67-S119 PolarHBondContact O-N 3.03Å; V117-S119 PolarHBondContact O-N 3.36Å; S119-K121 PolarHBondContact O-N 3.21Å
120E69.8Low70.3Confident111 Ų11192.2 Ų92.252%0.51950%0.501SS..EExtended strand (participates in β ladder)trans-66.8122.5160.6-49.5-166.3161.700105.7V66 P122V66-E120 HydrophobicContact CG2-CG 4.21Å; E120-P122 WeakPolarHBondContact O-CD 3.48Å
121K55.9Low68.5Low131 Ų13197 Ų9757%0.5753%0.528SS*.  trans-58.3127.1156.4-88.2174.4175.6169.40104.3G65 I67 S119 L123G65-K121 PolarHBondContact O-N 2.98Å; I67-K121 HydrophobicContact CD1-CD 3.99Å; I67-K121 HydrophobicContact CD1-CG 4.11Å; S119-K121 PolarHBondContact O-N 3.21Å; K121-L123 HydrophobicContact CB-CD2 4.22Å; K121-L123 PolarHBondContact O-N 2.82Å
122P54.8Low66.6Low110 Ų11095.3 Ų95.371%0.71453%0.528SS*.  trans-64.792.4172.227.1-31000105.6E120 L124E120-P122 WeakPolarHBondContact O-CD 3.48Å; P122-L124 PolarHBondContact O-N 3.44Å; P122-L124 VanDerWaalsContact O-N 3.15Å
123L55.6Low64.2Low118 Ų11897.3 Ų97.362%0.61854%0.543SS*.  trans-63.7117.2159.4-57.6-158.9000102.4K121 F125K121-L123 HydrophobicContact CB-CD2 4.22Å; K121-L123 PolarHBondContact O-N 2.82Å; L123-F125 PolarHBondContact O-N 3.18Å
124L50.8Low62.3Low171 Ų171103.5 Ų103.590%0.89558%0.584SS**SBendtrans-68.150.7-177.8-63.1174.2000110.9P122P122-L124 PolarHBondContact O-N 3.44Å; P122-L124 VanDerWaalsContact O-N 3.15Å
125F52Low59.6Low189 Ų189109.4 Ų109.483%0.82961%0.61SS**  trans-157.868.3173.1-158.1-94.1000108.2L123L123-F125 PolarHBondContact O-N 3.18Å
126N47.9Very low57.3Low103 Ų103115.3 Ų115.355%0.55164%0.641SS**  trans-13279.1167.5-135.145000109L128 N129N126-L128 PolarHBondContact O-N 3.48Å; N126-N129 PolarHBondContact ND2-ND2 2.97Å
127G53.3Low54.8Low80 Ų80122.7 Ų122.783%0.82567%0.674SS**THydrogen-bonded Turntrans-70.534.3170.300000113.7
128L54.3Low52.7Low155 Ų155127.6 Ų127.681%0.81270%0.698SS**THydrogen-bonded Turntrans-147.212.1-177-77.5-179.4000115.5N126N126-L128 PolarHBondContact O-N 3.48Å
129N45.2Very low50.5Low121 Ų121130.7 Ų130.765%0.64772%0.72SS**SBendtrans-126.547.8174.5-75.9-6.1000112.7N126N126-N129 PolarHBondContact ND2-ND2 2.97Å
130S49.1Very low48.4Very low115 Ų115131.6 Ų131.680%0.80474%0.736SS**  trans-146.968.9173.8-162.50000112.1
131I46.6Very low47.2Very low177 Ų177133.8 Ų133.891%0.90875%0.752SS**  trans-156.971.115529.8165000108
132D48.3Very low46.1Very low145 Ų145132.9 Ų132.978%0.77576%0.762SS**SBendtrans-148.5123.7135.3-167.972.6000108.6
133S42.2Very low44.8Very low95 Ų95136.2 Ų136.266%0.66477%0.766SS**  trans69.8124163.8-63.80000117.1
134P52.7Low43.7Very low131 Ų131136.5 Ų136.585%0.85178%0.777SS**  -145.9125.971.335.3-16.3000114.7
135E36.7Very low42.7Very low184 Ų184136.2 Ų136.286%0.8677%0.771SS**  trans-134.2121.9141.361.3-167.8150.300110.6
136N45.1Very low42.1Very low124 Ų124135.6 Ų135.666%0.66377%0.771SS**  trans-98.495.3179.9170.962.5000106
137E39.2Very low41.4Very low170 Ų170140 Ų14079%0.79479%0.788SS**  trans-106.591.5165.7-75.8-65.8130.900108.6
138I45.7Very low40.4Very low131 Ų131144.8 Ų144.867%0.67279%0.789SS**  trans-69115.2155.9-68.4160.2000106.5
139V38.5Very low39.9Very low138 Ų138141.7 Ų141.784%0.83678%0.779SS**  trans171.2122.5146.1167.50000102.7
140G33.9Very low39.2Very low64 Ų64142.6 Ų142.666%0.6679%0.788SS**  cis150.5130.646.500000105.2S142G140-S142 PolarHBondContact O-N 2.91Å
141N42.5Very low38.4Very low157 Ų157143 Ų14384%0.8479%0.786SS**  trans-44.2120.816717583.3000111.6
142S34.5Very low37.8Very low112 Ų112139.5 Ų139.578%0.78378%0.783SS**  trans-154.8103.2153.5-800000111G140G140-S142 PolarHBondContact O-N 2.91Å
143F27.1Very low37.1Very low180 Ų180135.9 Ų135.979%0.78978%0.78SS**  trans-52.5125.5159.3-156.5-103.4000109Q145F143-Q145 PolarHBondContact O-N 3.47Å
144S32.5Very low36.9Very low124 Ų124140.1 Ų140.187%0.86779%0.789SS**  trans-67.4113172.9-58.20000109.4
145Q29.4Very low36Very low165 Ų165140.8 Ų140.877%0.77179%0.785SS**  trans-134.6111.9160.7-166.2168.7-5.900109.7F143F143-Q145 PolarHBondContact O-N 3.47Å
146E40Very low36.3Very low177 Ų177139.9 Ų139.983%0.82779%0.786SS**  trans-16.3127153.2-30.6-161.7156.500115.1
147E33.5Very low36.5Very low194 Ų194139 Ų13991%0.90779%0.787SS**  174.9136.7119.2-91.1-167.1145.700111.4
148E30.8Very low37Very low181 Ų181136.4 Ų136.485%0.84679%0.785SS**  trans-74.2-166.5169.1-88-14113300112
149P45.5Very low36.7Very low90 Ų90136.5 Ų136.558%0.58479%0.794SS**  -134154.6-68.639.3-23.2000111.6
150V28.8Very low36.5Very low141 Ų141135 Ų13586%0.85579%0.789SS**  trans-164.1125.4156.9-106.60000115.9
151V32.8Very low37.2Very low124 Ų124137 Ų13775%0.75279%0.791SS**  trans82.5101133.7-176.10000120.3
152A33.6Very low36.8Very low102 Ų102138.9 Ų138.984%0.84380%0.795SS**  56129124.800000122.1
153G33.5Very low37.2Very low69 Ų69142.4 Ų142.471%0.71180%0.799SS**  trans137.699.9137.800000116.7
154E38.6Very low38Very low184 Ų184139 Ų13986%0.8680%0.798SS**  trans92.4114.5143.1-50.5-150.8126.500120.9
155D34Very low38.3Very low145 Ų145140.3 Ų140.378%0.77580%0.795SS**  trans46107.5141.2-84.1-53.9000121
156L42.5Very low39Very low165 Ų165137.6 Ų137.686%0.86479%0.789SS**  -177.9143.7112.8-89.5165.2000110.2
157P50.7Low38.9Very low106 Ų106137 Ų13769%0.68879%0.786SS**  trans-77.6157.5-17030.9-35.1000114.2
158P47.9Very low39.4Very low115 Ų115132.3 Ų132.375%0.74777%0.773SS**  trans-79.8137.5-17932.4-33.2000111.6S160P158-S160 PolarHBondContact O-N 2.91Å
159P40.3Very low39.9Very low134 Ų134130.4 Ų130.487%0.8777%0.773SS**  trans-88.698.1158.532.4-27.4000109.3
160S34Very low39.7Very low105 Ų105132.5 Ų132.573%0.73478%0.775SS**  trans-98.3162.3151-640000108P158P158-S160 PolarHBondContact O-N 2.91Å
161P48.6Very low40.7Very low108 Ų108130.2 Ų130.270%0.70176%0.763SS**  cis-125.7129.7-4231.3-15.2000109.5E163P161-E163 PolarHBondContact O-N 3.31Å
162Q33.8Very low41.8Very low195 Ų195133.1 Ų133.191%0.91177%0.768SS**  trans-92.692.7166.5-71.1-167.6-4700108.9S164Q162-S164 PolarHBondContact O-N 3.42Å
163E42.7Very low42.9Very low187 Ų187135.8 Ų135.887%0.87476%0.763SS**  trans-55.5117.1156-72.1-178.2117.800108P161P161-E163 PolarHBondContact O-N 3.31Å
164S44.3Very low44.3Very low109 Ų109137.7 Ų137.776%0.76276%0.761SS**  trans-133.284.9162.9-61.40000106.4Q162Q162-S164 PolarHBondContact O-N 3.42Å
165D38.7Very low46.5Very low150 Ų150132 Ų13280%0.80274%0.742SS**  trans2.7111.1146.9-153.621.8000115.7
166V43.4Very low48.9Very low108 Ų108128.6 Ų128.666%0.65573%0.734SS**  trans36119.6138.8-1700000117.8
167Q38.9Very low50.9Low164 Ų164130.4 Ų130.477%0.76673%0.729SS**  178.5114.5117.3-89-87-31.400108.9V169Q167-V169 PolarHBondContact O-N 3.4Å
168P43.5Very low52.8Low96 Ų96129 Ų12962%0.62372%0.715SS**  trans-69.4115.1168.628-29.6000108.5Q170P168-Q170 VanDerWaalsContact C-N 3.26Å; P168-Q170 PolarHBondContact O-N 2.75Å
169V42.5Very low54.7Low141 Ų141129.6 Ų129.686%0.85571%0.707SS**  trans-67.390.9170.3179.20000107.3Q167Q167-V169 PolarHBondContact O-N 3.4Å
170Q40Very low57.3Low135 Ų135127.9 Ų127.963%0.63169%0.69SS**  trans-61.7126.6164.9-65.8-76.6-12.800106.6P168 E172P168-Q170 VanDerWaalsContact C-N 3.26Å; P168-Q170 PolarHBondContact O-N 2.75Å; Q170-E172 PolarHBondContact O-N 2.91Å
171P50.1Low60.1Low93 Ų93129.1 Ų129.160%0.60468%0.684SS**  trans-58.1125.9161.226.4-29000105.7E173P171-E173 PolarHBondContact O-N 3.35Å
172E55.7Low62.3Low184 Ų184132.6 Ų132.686%0.8668%0.683SS**  trans-64.674179.5-149.491.8-176.600109Q170 V174Q170-E172 PolarHBondContact O-N 2.91Å; E172-V174 PolarHBondContact O-N 2.93Å
173E56.4Low65.3Low158 Ų158126.8 Ų126.874%0.73866%0.658SS**  trans-53.9117.9160.4-68179.317500105.2P171 S175P171-E173 PolarHBondContact O-N 3.35Å; E173-S175 WeakPolarHBondContact O-CA 3.45Å; E173-S175 PolarHBondContact O-N 2.8Å
174V64.1Low67.8Low109 Ų109122 Ų12266%0.66164%0.639SS**  trans-37.6108.6-178.7-157.20000109E172 A176 D178E172-V174 PolarHBondContact O-N 2.93Å; V174-A176 PolarHBondContact O-N 3.16Å; V174-D178 HydrophobicContact CG1-CB 3.97Å; V174-D178 VanDerWaalsContact CG1-OD2 3.26Å; V174-D178 WeakPolarHBondContact CG1-OD2 3.39Å
175S83.6Confident70.3Confident65 Ų65121.4 Ų121.446%0.45563%0.626SS.*  trans-42.6135-165.3-1780000110.7E173 R177 D178E173-S175 WeakPolarHBondContact O-CA 3.45Å; E173-S175 PolarHBondContact O-N 2.8Å; S175-R177 CarbonylContact O-C 3.55Å; S175-R177 PolarHBondContact O-N 3.22Å; S175-D178 WeakPolarHBondContact O-CB 3.47Å; S175-D178 PolarHBondContact O-N 2.71Å
176A84.4Confident73Confident73 Ų73120.5 Ų120.560%0.60362%0.617SS**Hα-helixtrans-46.8-27.2-179.800000113.4V174 L180V174-A176 PolarHBondContact O-N 3.16Å; A176-L180 WeakPolarHBondContact O-CB 3.26Å; A176-L180 VanDerWaalsContact O-CG 3.25Å; A176-L180 WeakPolarHBondContact O-CG 3.35Å; A176-L180 PolarHBondContact O-N 3.3Å; A176-L180 VanDerWaalsContact O-N 3.09Å
177R86.4Confident75.5Confident203 Ų203120.3 Ų120.377%0.76661%0.611SS**Hα-helixtrans-58-46.3171.6-63.3-178.1175.3179.9-0.2113.7S175 Q181S175-R177 CarbonylContact O-C 3.55Å; S175-R177 PolarHBondContact O-N 3.22Å; R177-Q181 VanDerWaalsContact O-CB 3.24Å; R177-Q181 WeakPolarHBondContact O-CB 3.47Å; R177-Q181 PolarHBondContact O-N 3.01Å
178D88.8Confident78.3Confident76 Ų76119.5 Ų119.541%0.40661%0.605SS.*Hα-helixtrans-68.1-42.3-179.4-173.863.3000111.6V174 S175 L180 Q181 R182V174-D178 HydrophobicContact CG1-CB 3.97Å; V174-D178 VanDerWaalsContact CG1-OD2 3.26Å; V174-D178 WeakPolarHBondContact CG1-OD2 3.39Å; S175-D178 WeakPolarHBondContact O-CB 3.47Å; S175-D178 PolarHBondContact O-N 2.71Å; D178-L180 PolarHBondContact O-N 3.5Å; D178-Q181 PolarHBondContact O-N 3.12Å; D178-R182 WeakPolarHBondContact O-CB 3.42Å; D178-R182 PolarHBondContact O-N 3.4Å
179F88.8Confident80.8Confident128 Ų128119.7 Ų119.756%0.56160%0.601SS**Hα-helixtrans-59.4-48.3175176.6-101000112Q181 R182 L183F179-Q181 VanDerWaalsContact C-N 3.35Å; F179-Q181 PolarHBondContact O-N 3.02Å; F179-R182 PolarHBondContact O-N 3.5Å; F179-L183 HydrophobicContact CD1-CD1 4.07Å; F179-L183 HydrophobicContact CE1-CD1 3.38Å; F179-L183 HydrophobicContact CE1-CG 4.13Å; F179-L183 HydrophobicContact CE2-CD1 4.5Å; F179-L183 HydrophobicContact CZ-CD1 3.64Å; F179-L183 HydrophobicContact CZ-CD2 4.43Å; F179-L183 HydrophobicContact CZ-CG 4.1Å; F179-L183 PolarHBondContact O-N 3.46Å
180L93.8Very high83.3Confident98 Ų98116.9 Ų116.951%0.51359%0.587SS.*Hα-helixtrans-63.4-41.7177.1-69.4173.5000111.6A176 D178 R182 L183 D184A176-L180 WeakPolarHBondContact O-CB 3.26Å; A176-L180 VanDerWaalsContact O-CG 3.25Å; A176-L180 WeakPolarHBondContact O-CG 3.35Å; A176-L180 PolarHBondContact O-N 3.3Å; A176-L180 VanDerWaalsContact O-N 3.09Å; D178-L180 PolarHBondContact O-N 3.5Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 2.86Å; L180-L183 PolarHBondContact O-N 3.26Å; L180-D184 WeakPolarHBondContact O-CB 3.46Å; L180-D184 PolarHBondContact O-N 2.86Å
181Q93.4Very high85.9Confident132 Ų132114.6 Ų114.662%0.61758%0.582SS**Hα-helixtrans-61.3-37.8176.6-176174.3-15.300111.9R177 D178 F179 L185R177-Q181 VanDerWaalsContact O-CB 3.24Å; R177-Q181 WeakPolarHBondContact O-CB 3.47Å; R177-Q181 PolarHBondContact O-N 3.01Å; D178-Q181 PolarHBondContact O-N 3.12Å; F179-Q181 VanDerWaalsContact C-N 3.35Å; F179-Q181 PolarHBondContact O-N 3.02Å; Q181-L185 WeakPolarHBondContact O-CB 3.44Å; Q181-L185 PolarHBondContact O-N 2.94Å
182R95.1Very high87.9Confident181 Ų181116.6 Ų116.668%0.68358%0.584SS**Hα-helixtrans-68-42.6176.4-164.2175.9-142.11707.1112.2D178 F179 L180 L185 Q186D178-R182 WeakPolarHBondContact O-CB 3.42Å; D178-R182 PolarHBondContact O-N 3.4Å; F179-R182 PolarHBondContact O-N 3.5Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 2.86Å; R182-L185 PolarHBondContact O-N 3.28Å; R182-Q186 PolarHBondContact O-N 3.42Å
183L96.8Very high89.6Confident72 Ų72110.4 Ų110.438%0.37756%0.564SS.*Hα-helixtrans-61.5-46.6174.4-73.4-177.6000111.4F179 L180 L185 Q186 I187F179-L183 HydrophobicContact CD1-CD1 4.07Å; F179-L183 HydrophobicContact CE1-CD1 3.38Å; F179-L183 HydrophobicContact CE1-CG 4.13Å; F179-L183 HydrophobicContact CE2-CD1 4.5Å; F179-L183 HydrophobicContact CZ-CD1 3.64Å; F179-L183 HydrophobicContact CZ-CD2 4.43Å; F179-L183 HydrophobicContact CZ-CG 4.1Å; F179-L183 PolarHBondContact O-N 3.46Å; L180-L183 PolarHBondContact O-N 3.26Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 2.95Å; L183-Q186 PolarHBondContact O-N 2.91Å; L183-Q186 VanDerWaalsContact O-N 3.15Å; L183-I187 WeakPolarHBondContact O-CG1 3.32Å; L183-I187 PolarHBondContact O-N 3Å
184D96.3Very high91.2Very high88 Ų88105.7 Ų105.747%0.47155%0.552SS.*Hα-helixtrans-60.1-40.2178.5-77.2-12.3000111.8L180 I187 K188L180-D184 WeakPolarHBondContact O-CB 3.46Å; L180-D184 PolarHBondContact O-N 2.86Å; D184-I187 PolarHBondContact O-N 3.01Å; D184-K188 WeakPolarHBondContact O-CB 3.38Å; D184-K188 VanDerWaalsContact O-CG 3.26Å; D184-K188 WeakPolarHBondContact O-CG 3.47Å; D184-K188 PolarHBondContact O-N 3.12Å
185L96.6Very high92.5Very high96 Ų96107.4 Ų107.450%0.50355%0.551SS.*Hα-helixtrans-61.9-46.8175.8-162.1172.7000110.6Q181 R182 L183 I187 K188 L189Q181-L185 WeakPolarHBondContact O-CB 3.44Å; Q181-L185 PolarHBondContact O-N 2.94Å; R182-L185 PolarHBondContact O-N 3.28Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 2.95Å; L185-I187 PolarHBondContact O-N 3.26Å; L185-K188 WeakPolarHBondContact O-CB 3.35Å; L185-K188 PolarHBondContact O-N 3.32Å; L185-L189 HydrophobicContact CD2-CD1 3.38Å; L185-L189 HydrophobicContact CD2-CG 3.77Å; L185-L189 WeakPolarHBondContact O-CG 3.42Å; L185-L189 PolarHBondContact O-N 3.31Å
186Q94.9Very high92.7Very high131 Ų131111.1 Ų111.161%0.61256%0.559SS**Hα-helixtrans-64.4-39.6-179.5-169.5161.6-8.900112.4R182 L183 L189 S190R182-Q186 PolarHBondContact O-N 3.42Å; L183-Q186 PolarHBondContact O-N 2.91Å; L183-Q186 VanDerWaalsContact O-N 3.15Å; Q186-L189 PolarHBondContact O-N 3.31Å; Q186-S190 WeakPolarHBondContact O-CB 3.49Å; Q186-S190 PolarHBondContact O-N 3.34Å
187I95.8Very high92.6Very high104 Ų104113.1 Ų113.153%0.53356%0.559SS.*Hα-helixtrans-63.8-43.7174.1-67.1165.7000110.7L183 D184 L185 S190 T191L183-I187 WeakPolarHBondContact O-CG1 3.32Å; L183-I187 PolarHBondContact O-N 3Å; D184-I187 PolarHBondContact O-N 3.01Å; L185-I187 PolarHBondContact O-N 3.26Å; I187-S190 PolarHBondContact O-N 2.89Å; I187-T191 WeakPolarHBondContact O-CB 3.48Å; I187-T191 PolarHBondContact O-N 3.01Å; I187-T191 PolarHBondContact O-OG1 2.93Å
188K97.3Very high92.4Very high147 Ų147111 Ų11164%0.63956%0.555SS**Hα-helixtrans-59.7-47.8177.3-77.4170.9-176.9172.20112D184 L185 T191 Q192D184-K188 WeakPolarHBondContact O-CB 3.38Å; D184-K188 VanDerWaalsContact O-CG 3.26Å; D184-K188 WeakPolarHBondContact O-CG 3.47Å; D184-K188 PolarHBondContact O-N 3.12Å; L185-K188 WeakPolarHBondContact O-CB 3.35Å; L185-K188 PolarHBondContact O-N 3.32Å; K188-T191 PolarHBondContact O-N 2.84Å; K188-Q192 WeakPolarHBondContact O-CB 3.37Å; K188-Q192 PolarHBondContact O-N 3.25Å
189L95.5Very high91.8Very high100 Ų100112.8 Ų112.852%0.52456%0.561SS.*Hα-helixtrans-62.3-45.3178.4-69.8176.8000111.8L185 Q186 T191 Q192 A193L185-L189 HydrophobicContact CD2-CD1 3.38Å; L185-L189 HydrophobicContact CD2-CG 3.77Å; L185-L189 WeakPolarHBondContact O-CG 3.42Å; L185-L189 PolarHBondContact O-N 3.31Å; Q186-L189 PolarHBondContact O-N 3.31Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 3.3Å; L189-Q192 PolarHBondContact O-N 2.99Å; L189-A193 WeakPolarHBondContact O-CB 3.24Å; L189-A193 PolarHBondContact O-N 3.16Å
190S95.4Very high91.1Very high81 Ų81112.1 Ų112.157%0.56656%0.559SS**Hα-helixtrans-61-41.6177.1-173.40000111.8Q186 I187 A193 A194Q186-S190 WeakPolarHBondContact O-CB 3.49Å; Q186-S190 PolarHBondContact O-N 3.34Å; I187-S190 PolarHBondContact O-N 2.89Å; S190-A193 PolarHBondContact O-N 3.46Å; S190-A194 WeakPolarHBondContact O-CB 3.24Å; S190-A194 PolarHBondContact O-N 2.94Å
191T94.6Very high89.7Confident88 Ų88111.4 Ų111.454%0.5456%0.563SS.*Hα-helixtrans-67.1-42.9179.3-56.50000111.2I187 K188 L189 A194 K195I187-T191 WeakPolarHBondContact O-CB 3.48Å; I187-T191 PolarHBondContact O-N 3.01Å; I187-T191 PolarHBondContact O-OG1 2.93Å; K188-T191 PolarHBondContact O-N 2.84Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 3.3Å; T191-A194 PolarHBondContact O-N 2.85Å; T191-K195 WeakPolarHBondContact O-CB 3.31Å; T191-K195 PolarHBondContact O-N 3.46Å
192Q93.1Very high88.2Confident134 Ų134114.7 Ų114.763%0.62657%0.569SS**Hα-helixtrans-63.9-43.1176.6-174.6-178.918.300111.6K188 L189 A194 K195 K196K188-Q192 WeakPolarHBondContact O-CB 3.37Å; K188-Q192 PolarHBondContact O-N 3.25Å; L189-Q192 PolarHBondContact O-N 2.99Å; Q192-A194 PolarHBondContact O-N 2.92Å; Q192-K195 PolarHBondContact O-N 3.38Å; Q192-K196 WeakPolarHBondContact O-CB 3.26Å; Q192-K196 PolarHBondContact O-N 3.11Å
193A90.8Very high86.4Confident54 Ų54111.6 Ų111.645%0.44657%0.566SS.*Hα-helixtrans-60.5-45.5176.500000111.4L189 S190 K195 K196 L197L189-A193 WeakPolarHBondContact O-CB 3.24Å; L189-A193 PolarHBondContact O-N 3.16Å; S190-A193 PolarHBondContact O-N 3.46Å; A193-K195 VanDerWaalsContact C-N 3.35Å; A193-K195 PolarHBondContact O-N 2.82Å; A193-K196 PolarHBondContact O-N 3.36Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3.25Å
194A89.6Confident84.4Confident59 Ų59116.1 Ų116.149%0.48859%0.585SS.*Hα-helixtrans-62.3-40.7175.800000112.3S190 T191 Q192 K198S190-A194 WeakPolarHBondContact O-CB 3.24Å; S190-A194 PolarHBondContact O-N 2.94Å; T191-A194 PolarHBondContact O-N 2.85Å; Q192-A194 PolarHBondContact O-N 2.92Å; A194-K198 PolarHBondContact O-N 3.1Å; A194-K198 VanDerWaalsContact O-N 3.12Å
195K90.7Very high82.5Confident146 Ų146119.8 Ų119.864%0.63560%0.6SS**Hα-helixtrans-64.1-44.3175.7-174.9-178.7174.2-173.50111.6T191 Q192 A193 L197 K198 E199T191-K195 WeakPolarHBondContact O-CB 3.31Å; T191-K195 PolarHBondContact O-N 3.46Å; Q192-K195 PolarHBondContact O-N 3.38Å; A193-K195 VanDerWaalsContact C-N 3.35Å; A193-K195 PolarHBondContact O-N 2.82Å; K195-L197 PolarHBondContact O-N 2.9Å; K195-K198 PolarHBondContact O-N 3.44Å; K195-K198 VanDerWaalsContact O-N 3.16Å; K195-E199 PolarHBondContact O-N 3.11Å
196K88.9Confident80.3Confident143 Ų143118.2 Ų118.262%0.62260%0.597SS**Hα-helixtrans-61.2-44.8179.1-171.8-176.4175.8-171.50111.5Q192 A193 K198 E199 E200Q192-K196 WeakPolarHBondContact O-CB 3.26Å; Q192-K196 PolarHBondContact O-N 3.11Å; A193-K196 PolarHBondContact O-N 3.36Å; K196-K198 VanDerWaalsContact C-N 3.27Å; K196-K198 PolarHBondContact O-N 3.4Å; K196-E199 PolarHBondContact O-N 3.39Å; K196-E200 WeakPolarHBondContact O-CB 3.45Å; K196-E200 PolarHBondContact O-N 3.48Å
197L82.3Confident78.3Confident115 Ų115117.5 Ų117.560%0.60260%0.604SS**Hα-helixtrans-61.5-36.5175.3-72.8172.6000112.4A193 K195 S201A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3.25Å; K195-L197 PolarHBondContact O-N 2.9Å; L197-S201 WeakPolarHBondContact O-CB 3.09Å; L197-S201 PolarHBondContact O-N 2.77Å; L197-S201 PolarHBondContact O-OG 2.91Å
198K81.4Confident76.3Confident159 Ų159121.6 Ų121.669%0.69161%0.614SS**Hα-helixtrans-70-34.7177.4-174.4162.5-177.8169.20112.9A194 K195 K196 S201 R202A194-K198 PolarHBondContact O-N 3.1Å; A194-K198 VanDerWaalsContact O-N 3.12Å; K195-K198 PolarHBondContact O-N 3.44Å; K195-K198 VanDerWaalsContact O-N 3.16Å; K196-K198 VanDerWaalsContact C-N 3.27Å; K196-K198 PolarHBondContact O-N 3.4Å; K198-S201 WeakPolarHBondContact CA-OG 3.25Å; K198-S201 PolarHBondContact O-OG 3.49Å; K198-R202 PolarHBondContact O-N 3.3Å
199E77.3Confident74.1Confident113 Ų113118.8 Ų118.853%0.52862%0.618SS.*Hα-helixtrans-71.6-45.4175.2-166.7165.5-17200110.9K195 K196 S201 R202 D203K195-E199 PolarHBondContact O-N 3.11Å; K196-E199 PolarHBondContact O-N 3.39Å; E199-S201 VanDerWaalsContact C-N 3.33Å; E199-S201 PolarHBondContact O-N 3.44Å; E199-R202 WeakPolarHBondContact O-CA 3.37Å; E199-R202 WeakPolarHBondContact O-CB 3.37Å; E199-R202 PolarHBondContact O-N 3.39Å; E199-D203 PolarHBondContact O-N 3.09Å; E199-D203 VanDerWaalsContact O-N 3.11Å
200E73Confident72Confident114 Ų114120.1 Ų120.153%0.53363%0.631SS.*Hα-helixtrans-59.3-40175.1-174.1163.1-137.600112.4K196 R202 D203K196-E200 WeakPolarHBondContact O-CB 3.45Å; K196-E200 PolarHBondContact O-N 3.48Å; E200-R202 PolarHBondContact O-N 3.46Å; E200-D203 PolarHBondContact O-N 3.32Å
201S64.8Low69.9Low83 Ų83120.6 Ų120.658%0.5863%0.634SS**Hα-helixtrans-67.1-18.2173.866.10000114.5L197 K198 E199L197-S201 WeakPolarHBondContact O-CB 3.09Å; L197-S201 PolarHBondContact O-N 2.77Å; L197-S201 PolarHBondContact O-OG 2.91Å; K198-S201 WeakPolarHBondContact CA-OG 3.25Å; K198-S201 PolarHBondContact O-OG 3.49Å; E199-S201 VanDerWaalsContact C-N 3.33Å; E199-S201 PolarHBondContact O-N 3.44Å
202R61.4Low68Low200 Ų200123.5 Ų123.576%0.75565%0.646SS**Hα-helixtrans-93.5-25.5-177.6-154.3177.1-174.2-172-1112.1K198 E199 E200K198-R202 PolarHBondContact O-N 3.3Å; E199-R202 WeakPolarHBondContact O-CA 3.37Å; E199-R202 WeakPolarHBondContact O-CB 3.37Å; E199-R202 PolarHBondContact O-N 3.39Å; E200-R202 PolarHBondContact O-N 3.46Å
203D57.1Low66Low116 Ų116127.7 Ų127.762%0.6266%0.657SS**Hα-helixtrans-81.8-21.4177.4-67.5-36.6000113E199 E200 E205E199-D203 PolarHBondContact O-N 3.09Å; E199-D203 VanDerWaalsContact O-N 3.11Å; E200-D203 PolarHBondContact O-N 3.32Å; D203-E205 PolarHBondContact O-N 3.14Å
204E56.6Low64.2Low167 Ų167133.9 Ų133.978%0.7868%0.676SS**SBendtrans-74.6-11.8171.6-69.7-69.3124.800113.1S206E204-S206 PolarHBondContact O-N 3.36Å; E204-S206 VanDerWaalsContact O-N 3.11Å
205E56.4Low62.4Low165 Ų165140.6 Ų140.677%0.77172%0.72SS**SBendtrans-88.361172.1-151.4167-169.900109.8D203D203-E205 PolarHBondContact O-N 3.14Å
206S49.1Very low61Low64 Ų64140.4 Ų140.445%0.44872%0.724SS.*  trans-66.4135.1176.9176.60000111.3E204 Y208E204-S206 PolarHBondContact O-N 3.36Å; E204-S206 VanDerWaalsContact O-N 3.11Å; S206-Y208 PolarHBondContact O-N 3.36Å
207P54.2Low59.6Low116 Ų116140.2 Ų140.275%0.75373%0.73SS**G310 helixtrans-68.910179.328.7-35.1000114.8
208Y52.7Low58.3Low189 Ų189141.6 Ų141.674%0.74174%0.737SS**G310 helixtrans-80.9-10.8177.6-92.7-85000114.7S206 T210S206-Y208 PolarHBondContact O-N 3.36Å; Y208-T210 VanDerWaalsContact C-N 3.27Å; Y208-T210 PolarHBondContact O-N 3.2Å
209A50.9Low56.9Low89 Ų89140.6 Ų140.674%0.73674%0.74SS**G310 helixtrans-72.5-17.4-18000000113.9
210T51.3Low55.7Low127 Ų127142.3 Ų142.378%0.77975%0.753SS**G310 helixtrans-99.9-4.3-171.7-21.30000114.9Y208Y208-T210 VanDerWaalsContact C-N 3.27Å; Y208-T210 PolarHBondContact O-N 3.2Å
211S52.6Low54.5Low92 Ų92144.2 Ų144.264%0.64377%0.767SS**SBendtrans-99.19.7-174.699.50000115.7
212L53.8Low53.8Low149 Ų149148.6 Ų148.678%0.7878%0.781SS**SBendtrans-106.317.4-174.5-127.5140.5000114.6
213Y52.3Low53.2Low221 Ų221144.6 Ų144.687%0.86778%0.783SS**SBendtrans-130.948.5173.5-74.5-80.2000112.5
214H53.1Low52.9Low184 Ų184147 Ų14785%0.85280%0.796SS**  trans-13793.7160.7-129.762.7000110.8
215S51.6Low52.5Low201 Ų201145.2 Ų145.2100%1.40680%0.798SS**  trans-1610149.9-74.60000108.3

Retrieved 215 of 215 residues in 95 ms (Link to these results)