A0A096MEI7_POEFO Loading...

LysM and putative peptidoglycan-binding domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A096MEI7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 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
1M40.8Very low47.8Very low235 Ų235151.2 Ų151.2100%1.15886%0.863SS**  0125.80-79.883.686.200109.7
2S44Very low47.5Very low108 Ų108145.3 Ų145.376%0.75586%0.86SS**  trans-6.1117.2160.1-15.40000117.5
3G48.7Very low47.8Very low80 Ų80139.6 Ų139.683%0.82585%0.851SS**  trans-85.1103.6155.400000108.8
4E45.3Very low47.5Very low184 Ų184134.5 Ų134.586%0.8684%0.84SS**PPolyproline II helixtrans-77.7122.1175.5-60.2-146.311200109.9
5R53Low47.9Very low238 Ų238136.9 Ų136.990%0.89884%0.844SS**PPolyproline II helixtrans-89.8134.2166.4-75-177.3175-173.1-1.2108.2S7R5-S7 PolarHBondContact O-N 3.07Å
6P49.1Very low48.1Very low122 Ų122138.7 Ų138.779%0.79285%0.845SS**PPolyproline II helixtrans-68.4130.3173.826.2-30.4000110.5
7S54Low48.6Very low118 Ų118144.3 Ų144.383%0.82585%0.847SS**PPolyproline II helixtrans-67.5124170.739.30000110.1R5R5-S7 PolarHBondContact O-N 3.07Å
8L47.4Very low48.4Very low160 Ų160140.1 Ų140.184%0.83884%0.839SS**PPolyproline II helixtrans-78.7144.4170.5-72.3171.8000110.1F10L8-F10 PolarHBondContact O-N 3.07Å
9P50.4Low48.7Very low121 Ų121137.3 Ų137.379%0.78683%0.827SS**PPolyproline II helixtrans-65.5129.6-172.325.1-33.3000112.1
10F49.5Very low49.1Very low220 Ų220143.4 Ų143.497%0.96584%0.835SS**PPolyproline II helixtrans-62.7129.4154.4-116.7-99.1000108.7L8L8-F10 PolarHBondContact O-N 3.07Å
11G44.2Very low49.5Very low77 Ų77141.8 Ų141.879%0.79483%0.827SS**  trans129.4124158.600000114.9
12G43.6Very low50.3Low80 Ų80141.4 Ų141.483%0.82581%0.813SS**  trans140.669.315400000115.7
13G52.2Low50.5Low72 Ų72141.3 Ų141.374%0.74281%0.812SS**  trans54.770.614600000117L15G13-L15 PolarHBondContact O-N 3.28Å
14G43Very low50.7Low68 Ų68148.7 Ų148.770%0.70182%0.816SS**  trans-58.9112.3159.200000109.1L16G14-L16 PolarHBondContact O-N 3.12Å
15L53.6Low51.6Low171 Ų171142.2 Ų142.290%0.89580%0.799SS**  trans-67.843.7167.7-71168.9000111.3G13 R17G13-L15 PolarHBondContact O-N 3.28Å; L15-R17 PolarHBondContact O-N 3.41Å; L15-R17 VanDerWaalsContact O-N 3.09Å
16L51.6Low52.2Low165 Ų165135.2 Ų135.286%0.86479%0.787SS**  trans-83.761.6166.6-58.9-178.4000108.6G14G14-L16 PolarHBondContact O-N 3.12Å
17R55.8Low52.7Low234 Ų234137.4 Ų137.488%0.88379%0.791SS**  trans-133.534.2153.9-132.3178.7-168.2-100.14.4110.9L15 S19L15-R17 PolarHBondContact O-N 3.41Å; L15-R17 VanDerWaalsContact O-N 3.09Å; R17-S19 VanDerWaalsContact C-N 3.3Å; R17-S19 PolarHBondContact O-N 3.46Å; R17-S19 VanDerWaalsContact O-N 3.07Å
18G45.2Very low52.8Low68 Ų68136.9 Ų136.970%0.70178%0.783SS**  trans-68.296.7153.500000107.5R20G18-R20 PolarHBondContact O-N 2.94Å
19S55.1Low53.1Low87 Ų87139.6 Ų139.661%0.60878%0.782SS**  trans-37.1124161.8-55.70000108.6R17 T21R17-S19 VanDerWaalsContact C-N 3.3Å; R17-S19 PolarHBondContact O-N 3.46Å; R17-S19 VanDerWaalsContact O-N 3.07Å; S19-T21 PolarHBondContact O-N 3Å; S19-T21 PolarHBondContact O-OG1 3.42Å
20R56.5Low53.5Low259 Ų259136.8 Ų136.898%0.97777%0.765SS**  trans-6469.5163-80.4179.4156.9121.7-6.5107.9G18G18-R20 PolarHBondContact O-N 2.94Å
21T57.5Low53.8Low110 Ų110131.2 Ų131.268%0.67575%0.753SS**  trans-94.9131.7169.120.90000107.4S19S19-T21 PolarHBondContact O-N 3Å; S19-T21 PolarHBondContact O-OG1 3.42Å
22R56.1Low54.4Low228 Ų228134 Ų13486%0.8675%0.749SS**  trans91.665.9177.4-52.8163176.8-91.5-2113.2Y24R22-Y24 VanDerWaalsContact C-N 3.29Å; R22-Y24 PolarHBondContact O-N 2.86Å; R22-Y24 VanDerWaalsContact O-N 3.13Å
23S49.2Very low55.3Low105 Ų105131 Ų13173%0.73472%0.716SS**  trans-57.4110.1131.4-165.50000105.8G25S23-G25 VanDerWaalsContact C-N 3.25Å; S23-G25 PolarHBondContact O-N 2.93Å
24Y52.3Low55.7Low235 Ų235132.5 Ų132.592%0.92271%0.712SS**SBendtrans-70.892.2168.3-178.4-96.5000106.1R22R22-Y24 VanDerWaalsContact C-N 3.29Å; R22-Y24 PolarHBondContact O-N 2.86Å; R22-Y24 VanDerWaalsContact O-N 3.13Å
25G65.3Low56.6Low48 Ų48135.5 Ų135.550%0.49572%0.717SS.*SBendtrans160121-173.400000109.8S23S23-G25 VanDerWaalsContact C-N 3.25Å; S23-G25 PolarHBondContact O-N 2.93Å
26S64.8Low57.2Low91 Ų91133.4 Ų133.464%0.63670%0.697SS**  trans-53.4138.5-173.2-169.60000113.6T28S26-T28 VanDerWaalsContact C-N 3.25Å; S26-T28 WeakPolarHBondContact OG-CB 3.34Å; S26-T28 WeakPolarHBondContact OG-CG2 3.49Å; S26-T28 PolarHBondContact OG-N 3.44Å; S26-T28 PolarHBondContact OG-OG1 3.12Å
27L59.9Low58.5Low169 Ų169129 Ų12989%0.88567%0.672SS**  trans-84.51.7165.9-64.7179.7000112.5R29L27-R29 PolarHBondContact O-N 3.48Å
28T55.8Low59.8Low106 Ų106124.2 Ų124.265%0.6566%0.658SS**  trans-72.6100.6169.866.20000107.6S26 S30S26-T28 VanDerWaalsContact C-N 3.25Å; S26-T28 WeakPolarHBondContact OG-CB 3.34Å; S26-T28 WeakPolarHBondContact OG-CG2 3.49Å; S26-T28 PolarHBondContact OG-N 3.44Å; S26-T28 PolarHBondContact OG-OG1 3.12Å; T28-S30 PolarHBondContact O-N 2.95Å
29R53.5Low61.9Low218 Ų218126.7 Ų126.782%0.82365%0.654SS**  trans-63.186.5162.1-77.3-176-95.6-139.8-3.2107.2L27 S31L27-R29 PolarHBondContact O-N 3.48Å; R29-S31 PolarHBondContact O-N 3.39Å
30S58.8Low63.6Low62 Ų62125 Ų12543%0.43464%0.638SS.*  trans-55.8136.1169.245.40000107.7T28 L32 S33T28-S30 PolarHBondContact O-N 2.95Å; S30-L32 PolarHBondContact O-N 2.99Å; S30-S33 WeakPolarHBondContact O-CB 3.3Å; S30-S33 PolarHBondContact O-N 3.22Å; S30-S33 PolarHBondContact O-OG 3.45Å; S30-S33 VanDerWaalsContact O-OG 3.09Å
31S56.3Low65.3Low102 Ų102119.4 Ų119.471%0.71362%0.623SS**THydrogen-bonded Turntrans-55.8-20171.745.80000112.3R29R29-S31 PolarHBondContact O-N 3.39Å
32L57Low66.9Low136 Ų136114.9 Ų114.971%0.71259%0.594SS**THydrogen-bonded Turntrans-91.512.8171.7-63.6168.7000114S30S30-L32 PolarHBondContact O-N 2.99Å
33S61.2Low68.6Low18 Ų18108.5 Ų108.513%0.12658%0.58CS.*  trans-64.1131.9174.967.20000109.3S30 V35 R36S30-S33 WeakPolarHBondContact O-CB 3.3Å; S30-S33 PolarHBondContact O-N 3.22Å; S30-S33 PolarHBondContact O-OG 3.45Å; S30-S33 VanDerWaalsContact O-OG 3.09Å; S33-V35 PolarHBondContact O-N 3.48Å; S33-R36 PolarHBondContact O-N 3.37Å
34P60.6Low70.5Confident102 Ų102104.5 Ų104.566%0.66255%0.551SS**G310 helixtrans-55.7-13.3180-24.131.4000114.2R36 Q37P34-R36 VanDerWaalsContact C-N 3.27Å; P34-R36 PolarHBondContact O-N 3.15Å; P34-Q37 PolarHBondContact O-N 3.15Å
35V61.7Low72.2Confident131 Ų13199.9 Ų99.979%0.79454%0.536SS*.G310 helixtrans-67.4-24.4-178.1-1760000112.5S33S33-V35 PolarHBondContact O-N 3.48Å
36R66.3Low73.1Confident128 Ų128103.7 Ų103.748%0.48355%0.552SS.*G310 helixtrans-101.46.6179.6-54.3-163.6174.8-150.15.9114.6S33 P34 S88 D89S33-R36 PolarHBondContact O-N 3.37Å; P34-R36 VanDerWaalsContact C-N 3.27Å; P34-R36 PolarHBondContact O-N 3.15Å; R36-S88 PolarHBondContact O-N 3.37Å; R36-S88 VanDerWaalsContact O-N 3.15Å; R36-D89 WeakPolarHBondContact CB-OD2 3.4Å; R36-D89 VanDerWaalsContact CD-OD1 3.29Å; R36-D89 WeakPolarHBondContact CD-OD1 3.19Å; R36-D89 WeakPolarHBondContact CD-OD2 3.5Å; R36-D89 WeakPolarHBondContact CG-OD2 3.44Å; R36-D89 IonicContact CZ-OD1 3.02Å; R36-D89 IonicContact NE-OD1 3.67Å; R36-D89 IonicContact NE-OD2 3.93Å; R36-D89 IonicContact NH1-OD1 3.37Å; R36-D89 PolarHBondContact NH1-OD1 2.94Å; R36-D89 IonicContact NH1-OD2 2.68Å
37Q79.1Confident74.2Confident73 Ų73102.4 Ų102.434%0.34155%0.553SS.*EExtended strand (participates in β ladder)trans-90.4118.2175.5-53.3-171-50.500109.5P34 L87P34-Q37 PolarHBondContact O-N 3.15Å; Q37-L87 HydrophobicContact CG-CD2 3.65Å; Q37-L87 VanDerWaalsContact NE2-CD2 3.26Å
38K84.8Confident75.5Confident133 Ų13396.3 Ų96.358%0.57852%0.52SS*.EExtended strand (participates in β ladder)trans-91.2118.8172.3-175.6177.6179.1179.90109.1I40 V86K38-I40 HydrophobicContact CG-CG1 4.42Å; K38-I40 PolarHBondContact O-N 3.28Å; K38-V86 PolarHBondContact N-O 3.04Å; K38-V86 PolarHBondContact O-N 2.68Å
39L88.5Confident77.1Confident120 Ų12094.9 Ų94.963%0.62851%0.511SS*.EExtended strand (participates in β ladder)trans-80.3118.9171.4-68.7169.3000109.4I84 P85L39-I84 WeakPolarHBondContact CA-O 3.47Å; L39-P85 HydrophobicContact CD2-CB 3.84Å
40I89.6Confident78.8Confident51 Ų5185.7 Ų85.726%0.26248%0.478SS..EExtended strand (participates in β ladder)trans-103.3128.1172.7-57.1-175.8000108.1K38 Y57 I84 V86K38-I40 HydrophobicContact CG-CG1 4.42Å; K38-I40 PolarHBondContact O-N 3.28Å; I40-Y57 HydrophobicContact CD1-CD1 4.24Å; I40-Y57 HydrophobicContact CD1-CE1 4.23Å; I40-Y57 HydrophobicContact CG2-CE1 4.16Å; I40-I84 PolarHBondContact N-O 3.04Å; I40-I84 PolarHBondContact O-N 2.9Å; I40-V86 HydrophobicContact CD1-CB 4.24Å; I40-V86 HydrophobicContact CD1-CG2 3.53Å; I40-V86 HydrophobicContact CG1-CG2 3.94Å
41E92.7Very high80.3Confident142 Ų14289.6 Ų89.666%0.66449%0.49SS*.EExtended strand (participates in β ladder)trans-85.6120169.9-170.4172.5-172.900109.5S81E41-S81 VanDerWaalsContact OE1-CB 3.23Å; E41-S81 WeakPolarHBondContact OE1-CB 3.23Å; E41-S81 PolarHBondContact OE1-OG 2.97Å
42H91.4Very high82Confident15 Ų1586.2 Ų86.27%0.06947%0.471CS..EExtended strand (participates in β ladder)trans-116.6120.8177.9176.276.9000110.2V44 E48 K56 Y57 S81 L82 I84H42-V44 PolarHBondContact O-N 3.12Å; H42-E48 IonicContact CD2-OE2 3.87Å; H42-E48 IonicContact CE1-OE1 3.68Å; H42-E48 IonicContact CE1-OE2 3.96Å; H42-E48 IonicContact NE2-OE1 2.75Å; H42-E48 PolarHBondContact NE2-OE1 3.02Å; H42-E48 IonicContact NE2-OE2 3.73Å; H42-E48 PolarHBondContact NE2-OE2 2.94Å; H42-K56 PolarHBondContact CE1-NZ 2.83Å; H42-Y57 HydrophobicContact CB-CE2 4.25Å; H42-Y57 AromaticContact CG-CE2 3.99Å; H42-Y57 AromaticContact ND1-CE2 3.96Å; H42-Y57 AromaticContact ND1-CZ 3.86Å; H42-Y57 PolarHBondContact ND1-OH 3.22Å; H42-S81 CarbonylContact O-C 3.5Å; H42-S81 VanDerWaalsContact O-CA 3.32Å; H42-S81 WeakPolarHBondContact O-CA 3.36Å; H42-L82 PolarHBondContact N-O 3.41Å; H42-L82 PolarHBondContact O-N 3.2Å; H42-I84 HydrophobicContact CB-CD1 3.7Å; H42-I84 HydrophobicContact CB-CG1 4.48Å
43T91.3Very high83.6Confident94 Ų9480 Ų8058%0.57744%0.438SS*.EExtended strand (participates in β ladder)trans-75120.9174.8-49.90000109.8K45 K80T43-K45 PolarHBondContact O-N 2.92Å; T43-K80 WeakPolarHBondContact CA-O 3.49Å; T43-K80 WeakPolarHBondContact CG2-O 3.34Å
44V88.8Confident85Confident21 Ų2179.5 Ų79.513%0.12744%0.436CS..PPolyproline II helixtrans-73.2126-176.5-177.50000109.8H42 E48 I76 Y77 K80 L82H42-V44 PolarHBondContact O-N 3.12Å; V44-E48 WeakPolarHBondContact CA-OE2 3.43Å; V44-I76 HydrophobicContact CG1-CD1 4.43Å; V44-Y77 HydrophobicContact CG1-CD1 4.34Å; V44-K80 PolarHBondContact N-O 2.75Å; V44-L82 HydrophobicContact CG2-CB 4.48Å; V44-L82 HydrophobicContact CG2-CD1 3.58Å; V44-L82 HydrophobicContact CG2-CG 3.59Å
45K88.5Confident86.4Confident137 Ų13781.5 Ų81.560%0.59644%0.44SS*.PPolyproline II helixtrans-94.9151.4173.1-65.5-179.5-178.6179.20111.1T43 G47 E48T43-K45 PolarHBondContact O-N 2.92Å; K45-G47 PolarHBondContact O-N 3.45Å; K45-E48 HydrophobicContact CB-CG 4Å; K45-E48 PolarHBondContact N-OE2 3.34Å; K45-E48 WeakPolarHBondContact O-CB 3.3Å; K45-E48 PolarHBondContact O-N 3.47Å; K45-E48 VanDerWaalsContact O-N 3.12Å
46P85.6Confident87.8Confident129 Ų12981.3 Ų81.384%0.83843%0.428SS*.THydrogen-bonded Turntrans-60127.7174.625.4-33.7000110.1
47G85.9Confident88.9Confident63 Ų6377.5 Ų77.565%0.64941%0.414SS*.THydrogen-bonded Turntrans93.8-6.6-177.200000115.4K45K45-G47 PolarHBondContact O-N 3.45Å
48E88.6Confident89.3Confident41 Ų4177.3 Ų77.319%0.19243%0.432CS..  trans-73.9143.9169.4-71.6-177.7161.600110.9H42 V44 K45 L53 I76 Y77H42-E48 IonicContact CD2-OE2 3.87Å; H42-E48 IonicContact CE1-OE1 3.68Å; H42-E48 IonicContact CE1-OE2 3.96Å; H42-E48 IonicContact NE2-OE1 2.75Å; H42-E48 PolarHBondContact NE2-OE1 3.02Å; H42-E48 IonicContact NE2-OE2 3.73Å; H42-E48 PolarHBondContact NE2-OE2 2.94Å; V44-E48 WeakPolarHBondContact CA-OE2 3.43Å; K45-E48 HydrophobicContact CB-CG 4Å; K45-E48 PolarHBondContact N-OE2 3.34Å; K45-E48 WeakPolarHBondContact O-CB 3.3Å; K45-E48 PolarHBondContact O-N 3.47Å; K45-E48 VanDerWaalsContact O-N 3.12Å; E48-L53 HydrophobicContact CB-CD1 3.69Å; E48-L53 HydrophobicContact CG-CD1 4.18Å; E48-I76 WeakPolarHBondContact O-CD1 3.27Å; E48-Y77 PolarHBondContact O-OH 3.33Å
49T89.9Confident89.6Confident76 Ų7671.8 Ų71.847%0.46641%0.41SS..  trans-117.6151.617764.30000110.5Q51 G52 L53T49-Q51 PolarHBondContact O-N 2.81Å; T49-Q51 VanDerWaalsContact O-N 3.15Å; T49-G52 PolarHBondContact O-N 3.35Å; T49-G52 PolarHBondContact OG1-N 3.2Å; T49-G52 VanDerWaalsContact OG1-N 3.07Å; T49-L53 VanDerWaalsContact O-CD1 3.3Å; T49-L53 WeakPolarHBondContact O-CD1 3.29Å; T49-L53 PolarHBondContact O-N 2.68Å
50L88.4Confident89.7Confident25 Ų2569.6 Ų69.613%0.13140%0.402CS..Hα-helixtrans-54-36.3174.5-79.5174.4000112.2L53 A54 V61 I64 K65 L70 I76 L82L50-L53 PolarHBondContact O-N 3.15Å; L50-A54 VanDerWaalsContact O-CB 3.26Å; L50-A54 WeakPolarHBondContact O-CB 3.15Å; L50-A54 PolarHBondContact O-N 3.29Å; L50-V61 HydrophobicContact CB-CG1 4.14Å; L50-V61 HydrophobicContact CD1-CG1 4.37Å; L50-I64 HydrophobicContact CD2-CB 4.48Å; L50-I64 HydrophobicContact CD2-CG2 3.71Å; L50-K65 HydrophobicContact CD1-CG 4.08Å; L50-L70 HydrophobicContact CD2-CD1 4.3Å; L50-I76 HydrophobicContact CD1-CG2 3.77Å; L50-I76 HydrophobicContact CD2-CG2 3.4Å; L50-I76 HydrophobicContact CG-CG2 3.32Å; L50-L82 HydrophobicContact CD2-CD1 4.13Å
51Q90.4Very high89.7Confident144 Ų14469.2 Ų69.267%0.67340%0.402SS*.Hα-helixtrans-69-42179.9-148.6161.42.900111.1T49 A54 L55T49-Q51 PolarHBondContact O-N 2.81Å; T49-Q51 VanDerWaalsContact O-N 3.15Å; Q51-A54 WeakPolarHBondContact O-CB 3.11Å; Q51-A54 PolarHBondContact O-N 3.27Å; Q51-L55 WeakPolarHBondContact O-CG 3.26Å; Q51-L55 PolarHBondContact O-N 2.99Å; Q51-L55 VanDerWaalsContact O-N 3.12Å
52G91.9Very high89.6Confident32 Ų3269.8 Ų69.833%0.3340%0.404SS..Hα-helixtrans-64.2-39.9172.300000113T49 L55 K56T49-G52 PolarHBondContact O-N 3.35Å; T49-G52 PolarHBondContact OG1-N 3.2Å; T49-G52 VanDerWaalsContact OG1-N 3.07Å; G52-L55 PolarHBondContact O-N 3.19Å; G52-K56 WeakPolarHBondContact O-CB 3.23Å; G52-K56 PolarHBondContact O-N 2.79Å
53L90.3Very high89.5Confident4 Ų471.8 Ų71.82%0.02142%0.415CS..Hα-helixtrans-65.5-43.7175.3-90.965000111.7E48 T49 L50 L55 K56 Y57 I64 L82 I84E48-L53 HydrophobicContact CB-CD1 3.69Å; E48-L53 HydrophobicContact CG-CD1 4.18Å; T49-L53 VanDerWaalsContact O-CD1 3.3Å; T49-L53 WeakPolarHBondContact O-CD1 3.29Å; T49-L53 PolarHBondContact O-N 2.68Å; L50-L53 PolarHBondContact O-N 3.15Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.45Å; L53-K56 PolarHBondContact O-N 3.49Å; L53-Y57 VanDerWaalsContact O-CD2 3.29Å; L53-Y57 WeakPolarHBondContact O-CD2 3.47Å; L53-Y57 PolarHBondContact O-N 3.34Å; L53-I64 HydrophobicContact CB-CD1 4.26Å; L53-L82 HydrophobicContact CD2-CD1 3.76Å; L53-I84 HydrophobicContact CD2-CD1 4.25Å
54A90.9Very high89.4Confident8 Ų867.3 Ų67.37%0.06639%0.388CS..Hα-helixtrans-54.7-48.2175.700000111.5L50 Q51 G58 V59 V61 I64L50-A54 VanDerWaalsContact O-CB 3.26Å; L50-A54 WeakPolarHBondContact O-CB 3.15Å; L50-A54 PolarHBondContact O-N 3.29Å; Q51-A54 WeakPolarHBondContact O-CB 3.11Å; Q51-A54 PolarHBondContact O-N 3.27Å; A54-G58 WeakPolarHBondContact O-CA 3.48Å; A54-G58 PolarHBondContact O-N 3.37Å; A54-V59 CarbonylContact C-O 3.55Å; A54-V59 VanDerWaalsContact CA-O 3.3Å; A54-V59 WeakPolarHBondContact CA-O 3.37Å; A54-V59 WeakPolarHBondContact CB-O 3.49Å; A54-V59 PolarHBondContact O-N 3.04Å; A54-V61 HydrophobicContact CB-CG2 3.64Å; A54-I64 HydrophobicContact CB-CD1 4.09Å
55L90.8Very high89.4Confident144 Ų14469.2 Ų69.275%0.75439%0.394SS*.Hα-helixtrans-64.6-43.5176.8-67172000112.4Q51 G52 L53 Y57 G58Q51-L55 WeakPolarHBondContact O-CG 3.26Å; Q51-L55 PolarHBondContact O-N 2.99Å; Q51-L55 VanDerWaalsContact O-N 3.12Å; G52-L55 PolarHBondContact O-N 3.19Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.45Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.49Å; L55-G58 PolarHBondContact O-N 2.92Å
56K90.5Very high89.4Confident127 Ų12772.7 Ų72.755%0.55240%0.404SS*.Hα-helixtrans-61.3-39.1-179.7-178.6-176.2175.1-161.60112.8H42 G52 L53H42-K56 PolarHBondContact CE1-NZ 2.83Å; G52-K56 WeakPolarHBondContact O-CB 3.23Å; G52-K56 PolarHBondContact O-N 2.79Å; L53-K56 PolarHBondContact O-N 3.49Å
57Y89.1Confident89.5Confident48 Ų4868.7 Ų68.719%0.18838%0.381CS..Hα-helixtrans-100.2-1.4-175.8-70.4-78.3000113.8I40 H42 L53 L55 V59 I84 V86I40-Y57 HydrophobicContact CD1-CD1 4.24Å; I40-Y57 HydrophobicContact CD1-CE1 4.23Å; I40-Y57 HydrophobicContact CG2-CE1 4.16Å; H42-Y57 HydrophobicContact CB-CE2 4.25Å; H42-Y57 AromaticContact CG-CE2 3.99Å; H42-Y57 AromaticContact ND1-CE2 3.96Å; H42-Y57 AromaticContact ND1-CZ 3.86Å; H42-Y57 PolarHBondContact ND1-OH 3.22Å; L53-Y57 VanDerWaalsContact O-CD2 3.29Å; L53-Y57 WeakPolarHBondContact O-CD2 3.47Å; L53-Y57 PolarHBondContact O-N 3.34Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.49Å; Y57-V59 VanDerWaalsContact C-N 3.33Å; Y57-V59 PolarHBondContact O-N 3.01Å; Y57-I84 HydrophobicContact CD1-CG2 4.49Å; Y57-I84 HydrophobicContact CD2-CD1 3.34Å; Y57-I84 HydrophobicContact CD2-CG2 4.35Å; Y57-I84 HydrophobicContact CE2-CD1 3.45Å; Y57-I84 VanDerWaalsContact CE2-CD1 3.45Å; Y57-I84 HydrophobicContact CG-CD1 3.97Å; Y57-I84 HydrophobicContact CG-CG2 3.97Å; Y57-V86 HydrophobicContact CD1-CG2 4.25Å
58G88.3Confident89.7Confident70 Ų7066.3 Ų66.372%0.72235%0.354SS*.THydrogen-bonded Turntrans65.433.7-179.400000113.4A54 L55A54-G58 WeakPolarHBondContact O-CA 3.48Å; A54-G58 PolarHBondContact O-N 3.37Å; L55-G58 PolarHBondContact O-N 2.92Å
59V89.5Confident89.7Confident17 Ų1774 Ų7410%0.10338%0.381CS..  trans-123157.9-177.5-620000110.5A54 Y57 I64 I84 P85 V86A54-V59 CarbonylContact C-O 3.55Å; A54-V59 VanDerWaalsContact CA-O 3.3Å; A54-V59 WeakPolarHBondContact CA-O 3.37Å; A54-V59 WeakPolarHBondContact CB-O 3.49Å; A54-V59 PolarHBondContact O-N 3.04Å; Y57-V59 VanDerWaalsContact C-N 3.33Å; Y57-V59 PolarHBondContact O-N 3.01Å; V59-I64 HydrophobicContact CG2-CD1 3.56Å; V59-I64 HydrophobicContact CG2-CG1 3.59Å; V59-I84 HydrophobicContact CG1-CG2 4.23Å; V59-I84 HydrophobicContact CG2-CG2 3.76Å; V59-P85 WeakPolarHBondContact CG1-O 3.17Å; V59-V86 HydrophobicContact CG1-CG2 4.47Å
60T91.2Very high89.5Confident74 Ų7471 Ų7145%0.45436%0.362SS..  trans-77.1148.5175.667.80000111.5E62 L63 I64T60-E62 PolarHBondContact O-N 2.88Å; T60-L63 WeakPolarHBondContact O-CB 3.38Å; T60-L63 PolarHBondContact O-N 3.45Å; T60-L63 VanDerWaalsContact O-N 3.12Å; T60-L63 WeakPolarHBondContact OG1-CB 3.33Å; T60-L63 WeakPolarHBondContact OG1-CD1 3.49Å; T60-L63 VanDerWaalsContact OG1-CG 3.23Å; T60-L63 WeakPolarHBondContact OG1-CG 2.75Å; T60-L63 PolarHBondContact OG1-N 3.33Å; T60-I64 PolarHBondContact O-N 2.85Å
61V90.3Very high89.1Confident43 Ų4378 Ų7826%0.26139%0.388SS..Hα-helixtrans-57.2-37.9175.7174.40000110.9L50 A54 L63 I64 K65L50-V61 HydrophobicContact CB-CG1 4.14Å; L50-V61 HydrophobicContact CD1-CG1 4.37Å; A54-V61 HydrophobicContact CB-CG2 3.64Å; V61-L63 PolarHBondContact O-N 2.78Å; V61-I64 PolarHBondContact O-N 2.77Å; V61-K65 HydrophobicContact CG1-CD 4.14Å; V61-K65 HydrophobicContact CG1-CG 4.36Å; V61-K65 WeakPolarHBondContact O-CB 3.48Å; V61-K65 WeakPolarHBondContact O-CG 3.26Å; V61-K65 PolarHBondContact O-N 3.06Å
62E89.4Confident88.3Confident154 Ų15477 Ų7772%0.7239%0.392SS*.Hα-helixtrans-61.9-40.8177.6-63.1176.4-178.600112.4T60 K65 R66T60-E62 PolarHBondContact O-N 2.88Å; E62-K65 PolarHBondContact O-N 3.38Å; E62-R66 VanDerWaalsContact O-CB 3.29Å; E62-R66 WeakPolarHBondContact O-CB 2.99Å; E62-R66 PolarHBondContact O-N 3.03Å
63L89Confident87.3Confident57 Ų5782.5 Ų82.530%0.29841%0.414SS..Hα-helixtrans-64.3-44.3176.4-79.5168.6000111.5T60 V61 K65 R66 A67 P85T60-L63 WeakPolarHBondContact O-CB 3.38Å; T60-L63 PolarHBondContact O-N 3.45Å; T60-L63 VanDerWaalsContact O-N 3.12Å; T60-L63 WeakPolarHBondContact OG1-CB 3.33Å; T60-L63 WeakPolarHBondContact OG1-CD1 3.49Å; T60-L63 VanDerWaalsContact OG1-CG 3.23Å; T60-L63 WeakPolarHBondContact OG1-CG 2.75Å; T60-L63 PolarHBondContact OG1-N 3.33Å; V61-L63 PolarHBondContact O-N 2.78Å; L63-K65 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 3.43Å; L63-R66 PolarHBondContact O-N 2.75Å; L63-A67 VanDerWaalsContact O-CB 3.27Å; L63-A67 WeakPolarHBondContact O-CB 3.29Å; L63-A67 PolarHBondContact O-N 3.45Å; L63-P85 HydrophobicContact CB-CG 4.28Å
64I89.3Confident86.6Confident0 Ų085.8 Ų85.80%043%0.431CS..Hα-helixtrans-61.2-45.5175.5-60.4173.5000110L50 L53 A54 V59 T60 V61 A67 N68 L82 I84L50-I64 HydrophobicContact CD2-CB 4.48Å; L50-I64 HydrophobicContact CD2-CG2 3.71Å; L53-I64 HydrophobicContact CB-CD1 4.26Å; A54-I64 HydrophobicContact CB-CD1 4.09Å; V59-I64 HydrophobicContact CG2-CD1 3.56Å; V59-I64 HydrophobicContact CG2-CG1 3.59Å; T60-I64 PolarHBondContact O-N 2.85Å; V61-I64 PolarHBondContact O-N 2.77Å; I64-A67 PolarHBondContact O-N 2.86Å; I64-N68 WeakPolarHBondContact O-CB 3.36Å; I64-N68 PolarHBondContact O-N 2.83Å; I64-N68 PolarHBondContact O-ND2 2.76Å; I64-L82 HydrophobicContact CG2-CD1 4.48Å; I64-I84 HydrophobicContact CG1-CG2 4.37Å
65K89.6Confident85.9Confident61 Ų6188.5 Ų88.527%0.26545%0.449SS..Hα-helixtrans-60.3-47.3178.1-77.2-179.4176.4-177.40111.7L50 V61 E62 L63 N68 R69 L70L50-K65 HydrophobicContact CD1-CG 4.08Å; V61-K65 HydrophobicContact CG1-CD 4.14Å; V61-K65 HydrophobicContact CG1-CG 4.36Å; V61-K65 WeakPolarHBondContact O-CB 3.48Å; V61-K65 WeakPolarHBondContact O-CG 3.26Å; V61-K65 PolarHBondContact O-N 3.06Å; E62-K65 PolarHBondContact O-N 3.38Å; L63-K65 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 3.43Å; K65-N68 CarbonylContact O-C 3.46Å; K65-N68 PolarHBondContact O-N 2.86Å; K65-R69 WeakPolarHBondContact O-CA 3.44Å; K65-R69 PolarHBondContact O-N 3.09Å; K65-L70 HydrophobicContact CB-CB 4.36Å; K65-L70 HydrophobicContact CG-CB 4.22Å; K65-L70 PolarHBondContact O-N 3.38Å
66R88.8Confident85.5Confident210 Ų21082.2 Ų82.279%0.79242%0.416SS*.Hα-helixtrans-63.7-44.9179.2-171.3177.4-173.4172.72.6112.1E62 L63 N68 R69E62-R66 VanDerWaalsContact O-CB 3.29Å; E62-R66 WeakPolarHBondContact O-CB 2.99Å; E62-R66 PolarHBondContact O-N 3.03Å; L63-R66 PolarHBondContact O-N 2.75Å; R66-N68 VanDerWaalsContact C-N 3.28Å; R66-N68 PolarHBondContact O-N 3.49Å; R66-R69 PolarHBondContact O-N 3.2Å
67A88Confident84.9Confident45 Ų4582.2 Ų82.237%0.37241%0.414SS..Hα-helixtrans-62.2-37.3178.200000111.9L63 I64 P85L63-A67 VanDerWaalsContact O-CB 3.27Å; L63-A67 WeakPolarHBondContact O-CB 3.29Å; L63-A67 PolarHBondContact O-N 3.45Å; I64-A67 PolarHBondContact O-N 2.86Å; A67-P85 HydrophobicContact CB-CG 4.06Å
68N89.9Confident84.4Confident12 Ų1286.8 Ų86.86%0.06444%0.441CS..Hα-helixtrans-97.14-178-67.9-77000114I64 K65 R66 L70 K79 L82 S83I64-N68 WeakPolarHBondContact O-CB 3.36Å; I64-N68 PolarHBondContact O-N 2.83Å; I64-N68 PolarHBondContact O-ND2 2.76Å; K65-N68 CarbonylContact O-C 3.46Å; K65-N68 PolarHBondContact O-N 2.86Å; R66-N68 VanDerWaalsContact C-N 3.28Å; R66-N68 PolarHBondContact O-N 3.49Å; N68-L70 HydrophobicContact CB-CD1 3.96Å; N68-L70 HydrophobicContact CB-CG 3.84Å; N68-L70 PolarHBondContact O-N 2.83Å; N68-K79 PolarHBondContact O-NZ 2.69Å; N68-L82 HydrophobicContact CB-CD2 4Å; N68-L82 WeakPolarHBondContact OD1-CA 3.32Å; N68-S83 PolarHBondContact ND2-N 3.44Å; N68-S83 PolarHBondContact ND2-O 3.44Å; N68-S83 PolarHBondContact OD1-N 2.76Å
69R87.7Confident83.9Confident204 Ų20487.1 Ų87.177%0.7742%0.423SS*.THydrogen-bonded Turntrans50.741.4-174.6-51.5179.6-179.4-163.3-1112.7K65 R66K65-R69 WeakPolarHBondContact O-CA 3.44Å; K65-R69 PolarHBondContact O-N 3.09Å; R66-R69 PolarHBondContact O-N 3.2Å
70L85.5Confident83.6Confident13 Ų1395.1 Ų95.17%0.06846%0.456CS..  trans-90.5126.4174.8-63.5171.6000109L50 K65 N68 D74 I76 K79 L82L50-L70 HydrophobicContact CD2-CD1 4.3Å; K65-L70 HydrophobicContact CB-CB 4.36Å; K65-L70 HydrophobicContact CG-CB 4.22Å; K65-L70 PolarHBondContact O-N 3.38Å; N68-L70 HydrophobicContact CB-CD1 3.96Å; N68-L70 HydrophobicContact CB-CG 3.84Å; N68-L70 PolarHBondContact O-N 2.83Å; L70-D74 HydrophobicContact CB-CB 4.43Å; L70-D74 HydrophobicContact CD2-CB 3.97Å; L70-I76 HydrophobicContact CD1-CG2 3.99Å; L70-K79 HydrophobicContact CD2-CD 3.99Å; L70-L82 HydrophobicContact CD1-CD2 3.88Å
71Y81.8Confident83.4Confident172 Ų17293.5 Ų93.568%0.67545%0.447SS*.  trans-88.9173.8173.2-62.2-78.1000111.2N73 D74Y71-N73 PolarHBondContact O-N 3.4Å; Y71-N73 VanDerWaalsContact O-N 3.07Å; Y71-D74 PolarHBondContact N-OD2 2.81Å; Y71-D74 PolarHBondContact O-N 3.14Å; Y71-D74 VanDerWaalsContact O-N 3.14Å
72T73.4Confident83.4Confident122 Ų12291.4 Ų91.475%0.74844%0.435SS*.THydrogen-bonded Turntrans-55.3-28.4-172.734.30000114.7
73N71.1Confident83.4Confident148 Ų14886.4 Ų86.479%0.79142%0.417SS*.THydrogen-bonded Turntrans-104-2.1-176.5-61.6-48.5000114.2Y71 S75Y71-N73 PolarHBondContact O-N 3.4Å; Y71-N73 VanDerWaalsContact O-N 3.07Å; N73-S75 PolarHBondContact O-N 3.26Å
74D75.6Confident83.5Confident72 Ų7283.7 Ų83.739%0.38540%0.402SS..  trans-77.3118.3-174.2-66-23.6000110.3L70 Y71 I76L70-D74 HydrophobicContact CB-CB 4.43Å; L70-D74 HydrophobicContact CD2-CB 3.97Å; Y71-D74 PolarHBondContact N-OD2 2.81Å; Y71-D74 PolarHBondContact O-N 3.14Å; Y71-D74 VanDerWaalsContact O-N 3.14Å; D74-I76 PolarHBondContact O-N 3.07Å
75S76.4Confident83.4Confident65 Ų6584.1 Ų84.146%0.45541%0.405SS..  trans-70.7122.7172.8-70.90000109.8N73 Y77 L78N73-S75 PolarHBondContact O-N 3.26Å; S75-Y77 PolarHBondContact O-N 2.86Å; S75-L78 WeakPolarHBondContact O-CB 3.29Å; S75-L78 VanDerWaalsContact O-CD1 3.26Å; S75-L78 WeakPolarHBondContact O-CD1 3.39Å; S75-L78 PolarHBondContact O-N 2.89Å
76I81.7Confident83.3Confident12 Ų1282.6 Ų82.66%0.06240%0.401CS..G310 helixtrans-54.5-26.4177.245.9172.7000114V44 E48 L50 L70 D74 L78 K79 L82V44-I76 HydrophobicContact CG1-CD1 4.43Å; E48-I76 WeakPolarHBondContact O-CD1 3.27Å; L50-I76 HydrophobicContact CD1-CG2 3.77Å; L50-I76 HydrophobicContact CD2-CG2 3.4Å; L50-I76 HydrophobicContact CG-CG2 3.32Å; L70-I76 HydrophobicContact CD1-CG2 3.99Å; D74-I76 PolarHBondContact O-N 3.07Å; I76-L78 PolarHBondContact O-N 2.62Å; I76-K79 PolarHBondContact O-N 3.36Å; I76-L82 HydrophobicContact CG2-CD1 4.12Å
77Y78.6Confident83Confident128 Ų12877 Ų7750%0.50239%0.386SS..G310 helixtrans-66.2-13.8178.2-51.7-63.3000113.5V44 E48 S75 K79V44-Y77 HydrophobicContact CG1-CD1 4.34Å; E48-Y77 PolarHBondContact O-OH 3.33Å; S75-Y77 PolarHBondContact O-N 2.86Å; Y77-K79 PolarHBondContact O-N 3.4Å
78L76.9Confident82.2Confident143 Ų14378.4 Ų78.475%0.74939%0.393SS*.G310 helixtrans-70.8-20.9171.7-82.476.6000111.8S75 I76S75-L78 WeakPolarHBondContact O-CB 3.29Å; S75-L78 VanDerWaalsContact O-CD1 3.26Å; S75-L78 WeakPolarHBondContact O-CD1 3.39Å; S75-L78 PolarHBondContact O-N 2.89Å; I76-L78 PolarHBondContact O-N 2.62Å
79K79.3Confident81.2Confident78 Ų7880.4 Ų80.434%0.33940%0.404SS..  trans-106.4135.9179.7-63.5-165.5175.8-165.50110.8N68 L70 I76 Y77 L82N68-K79 PolarHBondContact O-NZ 2.69Å; L70-K79 HydrophobicContact CD2-CD 3.99Å; I76-K79 PolarHBondContact O-N 3.36Å; Y77-K79 PolarHBondContact O-N 3.4Å; K79-L82 HydrophobicContact CB-CD2 4.29Å; K79-L82 HydrophobicContact CD-CD2 4.14Å
80K81.8Confident80Confident185 Ų18578.1 Ų78.180%0.80441%0.407SS*.SBendtrans-73-36.3175.3-63.8-178.6-179.7178.40111.5T43 V44T43-K80 WeakPolarHBondContact CA-O 3.49Å; T43-K80 WeakPolarHBondContact CG2-O 3.34Å; V44-K80 PolarHBondContact N-O 2.75Å
81S88.6Confident78.5Confident39 Ų3985.6 Ų85.627%0.27345%0.446SS..EExtended strand (participates in β ladder)trans-136.9152.1178.758.10000112.2E41 H42E41-S81 VanDerWaalsContact OE1-CB 3.23Å; E41-S81 WeakPolarHBondContact OE1-CB 3.23Å; E41-S81 PolarHBondContact OE1-OG 2.97Å; H42-S81 CarbonylContact O-C 3.5Å; H42-S81 VanDerWaalsContact O-CA 3.32Å; H42-S81 WeakPolarHBondContact O-CA 3.36Å
82L89.1Confident77.2Confident0 Ų084.3 Ų84.30%045%0.451CS..EExtended strand (participates in β ladder)trans-121.4134.4175.7-65.5176.1000110.1H42 V44 L50 L53 I64 N68 L70 I76 K79H42-L82 PolarHBondContact N-O 3.41Å; H42-L82 PolarHBondContact O-N 3.2Å; V44-L82 HydrophobicContact CG2-CB 4.48Å; V44-L82 HydrophobicContact CG2-CD1 3.58Å; V44-L82 HydrophobicContact CG2-CG 3.59Å; L50-L82 HydrophobicContact CD2-CD1 4.13Å; L53-L82 HydrophobicContact CD2-CD1 3.76Å; I64-L82 HydrophobicContact CG2-CD1 4.48Å; N68-L82 HydrophobicContact CB-CD2 4Å; N68-L82 WeakPolarHBondContact OD1-CA 3.32Å; L70-L82 HydrophobicContact CD1-CD2 3.88Å; I76-L82 HydrophobicContact CG2-CD1 4.12Å; K79-L82 HydrophobicContact CB-CD2 4.29Å; K79-L82 HydrophobicContact CD-CD2 4.14Å
83S89.6Confident76.3Confident48 Ų4887.4 Ų87.434%0.33646%0.457SS..EExtended strand (participates in β ladder)trans-85.2115.8171.5-53.30000110N68N68-S83 PolarHBondContact ND2-N 3.44Å; N68-S83 PolarHBondContact ND2-O 3.44Å; N68-S83 PolarHBondContact OD1-N 2.76Å
84I90.4Very high75.5Confident0 Ų085.4 Ų85.40%045%0.454CS..EExtended strand (participates in β ladder)trans-110.5112.3-175.2-57.8-179.8000108.9L39 I40 H42 L53 Y57 V59 I64 V86L39-I84 WeakPolarHBondContact CA-O 3.47Å; I40-I84 PolarHBondContact N-O 3.04Å; I40-I84 PolarHBondContact O-N 2.9Å; H42-I84 HydrophobicContact CB-CD1 3.7Å; H42-I84 HydrophobicContact CB-CG1 4.48Å; L53-I84 HydrophobicContact CD2-CD1 4.25Å; Y57-I84 HydrophobicContact CD1-CG2 4.49Å; Y57-I84 HydrophobicContact CD2-CD1 3.34Å; Y57-I84 HydrophobicContact CD2-CG2 4.35Å; Y57-I84 HydrophobicContact CE2-CD1 3.45Å; Y57-I84 VanDerWaalsContact CE2-CD1 3.45Å; Y57-I84 HydrophobicContact CG-CD1 3.97Å; Y57-I84 HydrophobicContact CG-CG2 3.97Å; V59-I84 HydrophobicContact CG1-CG2 4.23Å; V59-I84 HydrophobicContact CG2-CG2 3.76Å; I64-I84 HydrophobicContact CG1-CG2 4.37Å; I84-V86 HydrophobicContact CG2-CG2 4.16Å; I84-V86 PolarHBondContact O-N 2.79Å
85P88.3Confident74.3Confident9 Ų989.9 Ų89.96%0.05848%0.478CS..EExtended strand (participates in β ladder)trans-7899.617730.3-32.5000110.5L39 V59 L63 A67L39-P85 HydrophobicContact CD2-CB 3.84Å; V59-P85 WeakPolarHBondContact CG1-O 3.17Å; L63-P85 HydrophobicContact CB-CG 4.28Å; A67-P85 HydrophobicContact CB-CG 4.06Å
86V87.9Confident72.5Confident30 Ų3089.9 Ų89.918%0.18249%0.488CS..EExtended strand (participates in β ladder)trans-88.1121.3174.9-178.20000109.5K38 I40 Y57 V59 I84 S88K38-V86 PolarHBondContact N-O 3.04Å; K38-V86 PolarHBondContact O-N 2.68Å; I40-V86 HydrophobicContact CD1-CB 4.24Å; I40-V86 HydrophobicContact CD1-CG2 3.53Å; I40-V86 HydrophobicContact CG1-CG2 3.94Å; Y57-V86 HydrophobicContact CD1-CG2 4.25Å; V59-V86 HydrophobicContact CG1-CG2 4.47Å; I84-V86 HydrophobicContact CG2-CG2 4.16Å; I84-V86 PolarHBondContact O-N 2.79Å; V86-S88 PolarHBondContact O-N 3.23Å
87L82.5Confident70.9Confident91 Ų9196 Ų9648%0.47653%0.527SS..EExtended strand (participates in β ladder)trans-72.1118.1173-54.2-178000108Q37 D89Q37-L87 HydrophobicContact CG-CD2 3.65Å; Q37-L87 VanDerWaalsContact NE2-CD2 3.26Å; L87-D89 PolarHBondContact O-N 2.77Å
88S71.1Confident68.9Low75 Ų7596.6 Ų96.652%0.52454%0.538SS..  trans-88.320.6-176.4-57.40000113.6R36 V86R36-S88 PolarHBondContact O-N 3.37Å; R36-S88 VanDerWaalsContact O-N 3.15Å; V86-S88 PolarHBondContact O-N 3.23Å
89D68.3Low67.5Low54 Ų5494.8 Ų94.829%0.28954%0.538SS..SBendtrans-123.6116.3-177.1-57.9-62000112.3R36 L87R36-D89 WeakPolarHBondContact CB-OD2 3.4Å; R36-D89 VanDerWaalsContact CD-OD1 3.29Å; R36-D89 WeakPolarHBondContact CD-OD1 3.19Å; R36-D89 WeakPolarHBondContact CD-OD2 3.5Å; R36-D89 WeakPolarHBondContact CG-OD2 3.44Å; R36-D89 IonicContact CZ-OD1 3.02Å; R36-D89 IonicContact NE-OD1 3.67Å; R36-D89 IonicContact NE-OD2 3.93Å; R36-D89 IonicContact NH1-OD1 3.37Å; R36-D89 PolarHBondContact NH1-OD1 2.94Å; R36-D89 IonicContact NH1-OD2 2.68Å; L87-D89 PolarHBondContact O-N 2.77Å
90L61.9Low65.7Low157 Ų15796.5 Ų96.582%0.82256%0.559SS**  trans6771.6152.8-50.4178.1000116.1D92L90-D92 VanDerWaalsContact C-N 3.3Å
91N54.6Low63.9Low169 Ų16996.6 Ų96.690%0.90456%0.563SS**  trans-92.922.8162.6-132.535.7000113.2
92D55.2Low61.6Low145 Ų145103.7 Ų103.778%0.77559%0.592SS**  trans-109.935.9-178.3-82.6-38.3000113.9L90L90-D92 VanDerWaalsContact C-N 3.3Å
93H53.7Low59.1Low188 Ų188110 Ų11087%0.8763%0.625SS**  trans-140.691.6161.1-74.4-57.4000111.5
94S54.7Low56.9Low105 Ų105116.6 Ų116.673%0.73465%0.651SS**  trans-71.1153.8158.955.90000111.5
95N49.4Very low54.4Low166 Ų166124.9 Ų124.989%0.88869%0.687SS**  trans94.3118.6178.5-62.8-1.9000112.9
96G39.9Very low51.9Low65 Ų65133.2 Ų133.267%0.6772%0.724SS**  cis142.81338.900000107.8
97V46.4Very low49.3Very low142 Ų142135.6 Ų135.686%0.86176%0.755SS**  trans65.8138.1163.8175.50000112.6
98D37.6Very low47.3Very low139 Ų139141.4 Ų141.474%0.74378%0.776SS**  cis-158.8160.433.2-152.7-9.8000109.8
99S46.8Very low45.4Very low106 Ų106142.5 Ų142.574%0.74179%0.79SS**  trans-86.2130163.4-57.40000109.1
100S41.7Very low44Very low114 Ų114147 Ų14780%0.79781%0.814SS**  trans178.4128.9138.850.40000111.5
101E45.1Very low42.6Very low187 Ų187145.7 Ų145.787%0.87482%0.817SS**  trans-51.9142.7162.3-57.2160.9167.700111.1
102E40.3Very low41.6Very low188 Ų188144 Ų14488%0.87981%0.808SS**  trans-152124.2136.3-74.3-154.7162.800110.4
103D35Very low40.9Very low133 Ų133142.6 Ų142.671%0.71181%0.805SS**  trans-78.3137.5167174.121.7000109.1
104H45.2Very low40.1Very low186 Ų186140.9 Ų140.986%0.86180%0.797SS**  trans-167132.8145.8-95.6-57.2000112.4
105K37.6Very low39.6Very low174 Ų174142 Ų14276%0.75780%0.795SS**  trans-69.9156.3-172.5-80.7180171.2-177.70117.7
106E35.8Very low39.2Very low183 Ų183145 Ų14586%0.85580%0.795SS**  trans33.4129.6138.3-62.4179.814700121.9
107G32.3Very low39.5Very low80 Ų80152.7 Ų152.783%0.82580%0.804SS**  trans171.8112.2155.300000114.8
108K40.8Very low39.4Very low213 Ų213154 Ų15493%0.92680%0.801SS**  trans-64.9145.1174.8-74.7168.7170.4172.10112.9
109A31.8Very low40.2Very low99 Ų99152.5 Ų152.582%0.81880%0.799SS**  trans-162.1139138.800000111
110N39.1Very low40Very low148 Ų148151.2 Ų151.279%0.79180%0.795SS**  trans-57.9154177-64-15.5000112.9
111C31.1Very low40.7Very low129 Ų129151.2 Ų151.287%0.87280%0.795SS**  trans-134.9105.7143.354.90000109.4
112D33.8Very low40.9Very low134 Ų134149.2 Ų149.272%0.71779%0.79SS**  trans-83.3147.3163-74.7-57.9000109.3
113T40Very low42.1Very low115 Ų115146 Ų14671%0.70678%0.778SS**  trans74.6122159.3-19.30000114.9
114E37.1Very low44.4Very low152 Ų152143.7 Ų143.771%0.7177%0.769SS**  -157.3150.169.6-78-65.9155.400114.6
115D45.2Very low46Very low130 Ų130139.8 Ų139.870%0.69576%0.76SS**  trans-22.9112.4163.7-171.328.2000116.8
116Y41.3Very low48.3Very low228 Ų228132.9 Ų132.989%0.89474%0.738SS**  trans-137.5112.5148.7-74.1-80.3000109.5
117R46.4Very low50.6Low226 Ų226127.3 Ų127.385%0.85371%0.714SS**  trans-75.5121.2167.7-165.5167-166.6143.60.1108.7
118E43.3Very low53.1Low171 Ų171129.1 Ų129.180%0.79970%0.7SS**  trans174.4153.6136.7-91.4-66.9113.100110.6
119P54.7Low55.4Low107 Ų107123.8 Ų123.870%0.69568%0.68SS**  trans-98.2119.8-153.636.3-30.4000112.7
120A42.8Very low58.1Low79 Ų79125 Ų12565%0.65367%0.667SS**  trans-157.8117.9152.200000106.7D122A120-D122 PolarHBondContact O-N 3.47Å
121S56.4Low60.4Low114 Ų114126.9 Ų126.980%0.79766%0.663SS**  trans-71.367.9-179.755.30000110.9L123S121-L123 VanDerWaalsContact C-N 3.34Å; S121-L123 PolarHBondContact O-N 2.95Å
122D50.1Low63.3Low145 Ų145124.2 Ų124.278%0.77564%0.64SS**  trans-80.793.1160.9-73.6-26000106.2A120 T124A120-D122 PolarHBondContact O-N 3.47Å; D122-T124 PolarHBondContact O-N 3Å
123L64.8Low66.1Low120 Ų120122.3 Ų122.363%0.62863%0.63SS**  trans-54.4107.2178.7-64.3169.4000108.3S121S121-L123 VanDerWaalsContact C-N 3.34Å; S121-L123 PolarHBondContact O-N 2.95Å
124T82.3Confident68.6Low85 Ų85121.4 Ų121.452%0.52162%0.621SS.*  trans-55.2140.6172.9-74.20000107.4D122 G126 D127 F128D122-T124 PolarHBondContact O-N 3Å; T124-G126 PolarHBondContact O-N 3.26Å; T124-D127 WeakPolarHBondContact O-CB 3.45Å; T124-D127 PolarHBondContact O-N 3.28Å; T124-F128 PolarHBondContact O-N 2.88Å
125P80Confident71.1Confident104 Ų104117.1 Ų117.168%0.67561%0.608SS**Hα-helixtrans-49.4-32.8179.3-30.935.8000113.5D127 F128 L129P125-D127 PolarHBondContact O-N 3.41Å; P125-F128 PolarHBondContact O-N 3.08Å; P125-L129 WeakPolarHBondContact O-CG 3.4Å; P125-L129 PolarHBondContact O-N 3.31Å
126G84.5Confident73.3Confident28 Ų28115.9 Ų115.929%0.28960%0.6SS.*Hα-helixtrans-60.4-35172.500000114.7T124 L129 K130T124-G126 PolarHBondContact O-N 3.26Å; G126-L129 PolarHBondContact O-N 3.5Å; G126-K130 WeakPolarHBondContact O-CB 3.45Å; G126-K130 WeakPolarHBondContact O-CG 3.44Å; G126-K130 PolarHBondContact O-N 3.42Å
127D85.1Confident75.7Confident66 Ų66107.8 Ų107.835%0.35358%0.576SS.*Hα-helixtrans-76.7-31.7-179.7-61.7-32.8000112.3T124 P125 K130 R131T124-D127 WeakPolarHBondContact O-CB 3.45Å; T124-D127 PolarHBondContact O-N 3.28Å; P125-D127 PolarHBondContact O-N 3.41Å; D127-K130 IonicContact OD1-NZ 3.37Å; D127-K130 PolarHBondContact OD1-NZ 3.34Å; D127-R131 WeakPolarHBondContact O-CB 3.2Å; D127-R131 PolarHBondContact O-N 3.1Å
128F85.5Confident77.8Confident119 Ų119103.5 Ų103.552%0.52257%0.566SS.*Hα-helixtrans-64.1-45.3170.3178.6-98.9000111.5T124 P125 R131 L132T124-F128 PolarHBondContact O-N 2.88Å; P125-F128 PolarHBondContact O-N 3.08Å; F128-R131 PolarHBondContact O-N 3Å; F128-L132 HydrophobicContact CD1-CD1 3.99Å; F128-L132 HydrophobicContact CE1-CD1 3.36Å; F128-L132 HydrophobicContact CE1-CG 4.12Å; F128-L132 HydrophobicContact CZ-CD1 3.79Å; F128-L132 HydrophobicContact CZ-CG 4.21Å; F128-L132 PolarHBondContact O-N 3.13Å
129L88.8Confident80.1Confident100 Ų10099 Ų9952%0.52455%0.553SS.*Hα-helixtrans-63.7-45.7176.8-66.8176.5000111.5P125 G126 R131 L132 D133P125-L129 WeakPolarHBondContact O-CG 3.4Å; P125-L129 PolarHBondContact O-N 3.31Å; G126-L129 PolarHBondContact O-N 3.5Å; L129-R131 VanDerWaalsContact C-N 3.28Å; L129-R131 PolarHBondContact O-N 2.74Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 2.86Å; L129-L132 VanDerWaalsContact O-N 3.08Å; L129-D133 PolarHBondContact O-N 3.04Å
130K87.6Confident81.8Confident126 Ų126101.6 Ų101.655%0.54855%0.554SS.*Hα-helixtrans-56.8-42173.9-74.2168.9-169.51680112G126 D127 L132 D133 N134G126-K130 WeakPolarHBondContact O-CB 3.45Å; G126-K130 WeakPolarHBondContact O-CG 3.44Å; G126-K130 PolarHBondContact O-N 3.42Å; D127-K130 IonicContact OD1-NZ 3.37Å; D127-K130 PolarHBondContact OD1-NZ 3.34Å; K130-L132 VanDerWaalsContact C-N 3.35Å; K130-L132 PolarHBondContact O-N 2.95Å; K130-D133 PolarHBondContact O-N 3.26Å; K130-N134 WeakPolarHBondContact O-CB 3.35Å; K130-N134 PolarHBondContact O-N 3.07Å; K130-N134 PolarHBondContact O-ND2 2.96Å
131R87.4Confident83.9Confident187 Ų187102.7 Ų102.771%0.70655%0.545SS*.Hα-helixtrans-64.9-38.6177.1-174.6177.9177.9-178.61.3112.1D127 F128 L129 S135D127-R131 WeakPolarHBondContact O-CB 3.2Å; D127-R131 PolarHBondContact O-N 3.1Å; F128-R131 PolarHBondContact O-N 3Å; L129-R131 VanDerWaalsContact C-N 3.28Å; L129-R131 PolarHBondContact O-N 2.74Å; R131-S135 PolarHBondContact O-N 3.34Å; R131-S135 VanDerWaalsContact O-N 3.1Å
132L92.4Very high85Confident73 Ų73100.3 Ų100.338%0.38253%0.532SS..Hα-helixtrans-65.1-47.6174.4-79.1177.4000111.5F128 L129 K130 N134 S135 I136F128-L132 HydrophobicContact CD1-CD1 3.99Å; F128-L132 HydrophobicContact CE1-CD1 3.36Å; F128-L132 HydrophobicContact CE1-CG 4.12Å; F128-L132 HydrophobicContact CZ-CD1 3.79Å; F128-L132 HydrophobicContact CZ-CG 4.21Å; F128-L132 PolarHBondContact O-N 3.13Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 2.86Å; L129-L132 VanDerWaalsContact O-N 3.08Å; K130-L132 VanDerWaalsContact C-N 3.35Å; K130-L132 PolarHBondContact O-N 2.95Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.18Å; L132-S135 WeakPolarHBondContact O-CA 3.29Å; L132-S135 WeakPolarHBondContact O-CB 3.33Å; L132-S135 PolarHBondContact O-N 2.89Å; L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 3.41Å
133D91.7Very high86.7Confident93 Ų9396.3 Ų96.350%0.49752%0.52SS..Hα-helixtrans-61.4-38.7179.7-72.7-19.4000111.6L129 K130 I136 S137L129-D133 PolarHBondContact O-N 3.04Å; K130-D133 PolarHBondContact O-N 3.26Å; D133-I136 PolarHBondContact O-N 2.69Å; D133-S137 VanDerWaalsContact O-CB 3.29Å; D133-S137 WeakPolarHBondContact O-CB 3.3Å; D133-S137 PolarHBondContact O-N 3.02Å; D133-S137 PolarHBondContact O-OG 3.25Å
134N92.4Very high87.5Confident97 Ų9792.8 Ų92.852%0.51951%0.508SS..Hα-helixtrans-63.4-41.3173.6-71.4-18.5000111.8K130 L132 S137 Q138K130-N134 WeakPolarHBondContact O-CB 3.35Å; K130-N134 PolarHBondContact O-N 3.07Å; K130-N134 PolarHBondContact O-ND2 2.96Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.18Å; N134-S137 PolarHBondContact O-N 2.92Å; N134-Q138 VanDerWaalsContact O-CG 3.3Å; N134-Q138 WeakPolarHBondContact O-CG 3.38Å; N134-Q138 PolarHBondContact O-N 3.24Å
135S90.1Very high87.2Confident62 Ų6296.1 Ų96.143%0.43451%0.511SS..Hα-helixtrans-66-38.2176.2-171.80000112.5R131 L132 S139R131-S135 PolarHBondContact O-N 3.34Å; R131-S135 VanDerWaalsContact O-N 3.1Å; L132-S135 WeakPolarHBondContact O-CA 3.29Å; L132-S135 WeakPolarHBondContact O-CB 3.33Å; L132-S135 PolarHBondContact O-N 2.89Å; S135-S139 PolarHBondContact O-N 2.76Å; S135-S139 PolarHBondContact O-OG 3.45Å
136I91.5Very high86.7Confident104 Ų10493.2 Ų93.253%0.53350%0.5SS..Hα-helixtrans-67.7-44176.7-67164.7000109.7L132 D133 S139 K140L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 3.41Å; D133-I136 PolarHBondContact O-N 2.69Å; I136-S139 PolarHBondContact O-N 3.02Å; I136-K140 WeakPolarHBondContact O-CB 3.47Å; I136-K140 PolarHBondContact O-N 2.87Å
137S92.7Very high85.7Confident57 Ų5796.2 Ų96.240%0.39952%0.515SS..Hα-helixtrans-62.1-45.8-179.9-60.30000112.1D133 N134 S139 K140 E141D133-S137 VanDerWaalsContact O-CB 3.29Å; D133-S137 WeakPolarHBondContact O-CB 3.3Å; D133-S137 PolarHBondContact O-N 3.02Å; D133-S137 PolarHBondContact O-OG 3.25Å; N134-S137 PolarHBondContact O-N 2.92Å; S137-S139 VanDerWaalsContact C-N 3.32Å; S137-S139 PolarHBondContact O-N 3.24Å; S137-K140 WeakPolarHBondContact O-CB 3.42Å; S137-K140 PolarHBondContact O-N 3.4Å; S137-E141 PolarHBondContact O-N 2.93Å
138Q90.1Very high84.8Confident136 Ų13699.6 Ų99.664%0.63653%0.527SS*.Hα-helixtrans-60.2-41.4175.4-73174.77.500112.4N134 E141 A142N134-Q138 VanDerWaalsContact O-CG 3.3Å; N134-Q138 WeakPolarHBondContact O-CG 3.38Å; N134-Q138 PolarHBondContact O-N 3.24Å; Q138-E141 PolarHBondContact O-N 2.86Å; Q138-A142 WeakPolarHBondContact O-CB 3.45Å; Q138-A142 PolarHBondContact O-N 3.09Å
139S90.9Very high83.6Confident76 Ų7698.6 Ų98.653%0.53153%0.527SS..Hα-helixtrans-66-40.7178-55.90000111.6S135 I136 S137 A142 A143S135-S139 PolarHBondContact O-N 2.76Å; S135-S139 PolarHBondContact O-OG 3.45Å; I136-S139 PolarHBondContact O-N 3.02Å; S137-S139 VanDerWaalsContact C-N 3.32Å; S137-S139 PolarHBondContact O-N 3.24Å; S139-A142 PolarHBondContact O-N 3.04Å; S139-A143 PolarHBondContact O-N 3.13Å; S139-A143 VanDerWaalsContact O-N 3.11Å
140K91.3Very high82Confident162 Ų16296.5 Ų96.570%0.70452%0.524SS*.Hα-helixtrans-62.9-44.3175.7-177-179.4179.4-178.60111.7I136 S137 A143 A144I136-K140 WeakPolarHBondContact O-CB 3.47Å; I136-K140 PolarHBondContact O-N 2.87Å; S137-K140 WeakPolarHBondContact O-CB 3.42Å; S137-K140 PolarHBondContact O-N 3.4Å; K140-A143 PolarHBondContact O-N 3.23Å; K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 3.45Å
141E85.7Confident80.5Confident103 Ų10397.7 Ų97.748%0.48153%0.532SS..Hα-helixtrans-65.8-41.9177.1-77.7-172.9-152.300112.6S137 Q138 A143 A144 R145S137-E141 PolarHBondContact O-N 2.93Å; Q138-E141 PolarHBondContact O-N 2.86Å; E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 2.98Å; E141-A144 PolarHBondContact O-N 3.49Å; E141-R145 VanDerWaalsContact O-CG 3.31Å; E141-R145 WeakPolarHBondContact O-CG 3.39Å; E141-R145 PolarHBondContact O-N 3.11Å; E141-R145 IonicContact OE2-CZ 3.95Å; E141-R145 IonicContact OE2-NH2 3.53Å; E141-R145 PolarHBondContact OE2-NH2 3.42Å
142A81.2Confident79.1Confident63 Ų6396 Ų9652%0.52153%0.529SS..Hα-helixtrans-60.4-43.7177.600000111.6Q138 S139 R145 G146Q138-A142 WeakPolarHBondContact O-CB 3.45Å; Q138-A142 PolarHBondContact O-N 3.09Å; S139-A142 PolarHBondContact O-N 3.04Å; A142-R145 PolarHBondContact O-N 3.22Å; A142-G146 PolarHBondContact O-N 3.44Å; A142-G146 VanDerWaalsContact O-N 3.07Å
143A83.9Confident77.2Confident62 Ų62102.8 Ų102.851%0.51255%0.55SS..Hα-helixtrans-63.8-44174.600000111.9S139 K140 E141 R145 G146 C147S139-A143 PolarHBondContact O-N 3.13Å; S139-A143 VanDerWaalsContact O-N 3.11Å; K140-A143 PolarHBondContact O-N 3.23Å; E141-A143 VanDerWaalsContact C-N 3.33Å; E141-A143 PolarHBondContact O-N 2.98Å; A143-R145 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 3.07Å; A143-G146 PolarHBondContact O-N 3.01Å; A143-C147 PolarHBondContact O-N 3.4Å; A143-C147 PolarHBondContact O-SG 3.16Å
144A81.9Confident75.2Confident45 Ų45107.7 Ų107.737%0.37256%0.563SS.*Hα-helixtrans-63.9-36.8178.600000112.8K140 E141 C147 K148K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 3.45Å; E141-A144 PolarHBondContact O-N 3.49Å; A144-C147 PolarHBondContact O-N 3.48Å; A144-K148 WeakPolarHBondContact O-CG 3.39Å; A144-K148 PolarHBondContact O-N 3.5Å; A144-K148 VanDerWaalsContact O-N 3.13Å
145R75.9Confident73.2Confident155 Ų155111.7 Ų111.759%0.58558%0.576SS**Hα-helixtrans-65.6-43.6173.5-70.2176.4-164.3-171.37.7111.1E141 A142 A143 C147 K148 D149E141-R145 VanDerWaalsContact O-CG 3.31Å; E141-R145 WeakPolarHBondContact O-CG 3.39Å; E141-R145 PolarHBondContact O-N 3.11Å; E141-R145 IonicContact OE2-CZ 3.95Å; E141-R145 IonicContact OE2-NH2 3.53Å; E141-R145 PolarHBondContact OE2-NH2 3.42Å; A142-R145 PolarHBondContact O-N 3.22Å; A143-R145 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 3.07Å; R145-C147 VanDerWaalsContact C-N 3.33Å; R145-C147 PolarHBondContact O-N 2.9Å; R145-K148 PolarHBondContact O-N 3.22Å; R145-K148 VanDerWaalsContact O-N 3.16Å; R145-D149 PolarHBondContact O-N 3.38Å
146G70.6Confident71.2Confident43 Ų43119.3 Ų119.344%0.44360%0.595SS.*Hα-helixtrans-59.1-39.9174.900000113.6A142 A143 A150A142-G146 PolarHBondContact O-N 3.44Å; A142-G146 VanDerWaalsContact O-N 3.07Å; A143-G146 PolarHBondContact O-N 3.01Å; G146-A150 WeakPolarHBondContact O-CB 3.49Å; G146-A150 PolarHBondContact O-N 3.42Å
147C63.9Low69.2Low92 Ų92120.8 Ų120.862%0.62260%0.603SS**Hα-helixtrans-65-42.3174.1-69.20000112.5A143 A144 R145 A150 E151A143-C147 PolarHBondContact O-N 3.4Å; A143-C147 PolarHBondContact O-SG 3.16Å; A144-C147 PolarHBondContact O-N 3.48Å; R145-C147 VanDerWaalsContact C-N 3.33Å; R145-C147 PolarHBondContact O-N 2.9Å; C147-A150 PolarHBondContact O-N 3.24Å; C147-E151 PolarHBondContact O-N 3.4Å
148K65.5Low67Low136 Ų136123.1 Ų123.159%0.59162%0.617SS**Hα-helixtrans-68.6-33.5178-70.5175.7-179.8-177.30112.9A144 R145 E151 K152A144-K148 WeakPolarHBondContact O-CG 3.39Å; A144-K148 PolarHBondContact O-N 3.5Å; A144-K148 VanDerWaalsContact O-N 3.13Å; R145-K148 PolarHBondContact O-N 3.22Å; R145-K148 VanDerWaalsContact O-N 3.16Å; K148-E151 PolarHBondContact O-N 3.39Å; K148-K152 PolarHBondContact O-N 3.05Å
149D59.5Low65.3Low99 Ų99128.3 Ų128.353%0.52963%0.631SS.*Hα-helixtrans-74.5-30.3176.3-75.1-18.1000112.4R145 E151 R153R145-D149 PolarHBondContact O-N 3.38Å; D149-E151 VanDerWaalsContact C-N 3.31Å; D149-R153 PolarHBondContact O-N 3.32Å
150A56.3Low63.4Low56 Ų56130.7 Ų130.746%0.46364%0.637SS.*Hα-helixtrans-65.9-34.7170.200000112.1G146 C147 R153G146-A150 WeakPolarHBondContact O-CB 3.49Å; G146-A150 PolarHBondContact O-N 3.42Å; C147-A150 PolarHBondContact O-N 3.24Å; A150-R153 PolarHBondContact O-N 3.37Å
151E56.2Low61.3Low151 Ų151134.1 Ų134.171%0.70665%0.647SS**Hα-helixtrans-70-38.9178-157171.9-165.300112.1C147 K148 D149 R153 Y154C147-E151 PolarHBondContact O-N 3.4Å; K148-E151 PolarHBondContact O-N 3.39Å; D149-E151 VanDerWaalsContact C-N 3.31Å; E151-R153 VanDerWaalsContact C-N 3.25Å; E151-R153 PolarHBondContact O-N 3.33Å; E151-Y154 PolarHBondContact O-N 3.36Å
152K57Low59.3Low150 Ų150133.7 Ų133.765%0.65265%0.652SS**Hα-helixtrans-69.9-18.6174.6-68.9178.2-176.7175.10113.9K148 Y154K148-K152 PolarHBondContact O-N 3.05Å; K152-Y154 VanDerWaalsContact C-N 3.27Å; K152-Y154 PolarHBondContact O-N 3.44Å
153R52.3Low57.9Low216 Ų216137.5 Ų137.582%0.81566%0.662SS**THydrogen-bonded Turntrans-76.8-8.7177.3-111.7175178.3-157.5-1.2114.2D149 A150 E151D149-R153 PolarHBondContact O-N 3.32Å; A150-R153 PolarHBondContact O-N 3.37Å; E151-R153 VanDerWaalsContact C-N 3.25Å; E151-R153 PolarHBondContact O-N 3.33Å
154Y49.8Very low55.9Low196 Ų196140.2 Ų140.277%0.76967%0.672SS**THydrogen-bonded Turntrans-91.16.6173.9-90.8-86.2000114.8E151 K152E151-Y154 PolarHBondContact O-N 3.36Å; K152-Y154 VanDerWaalsContact C-N 3.27Å; K152-Y154 PolarHBondContact O-N 3.44Å
155F51Low54.3Low182 Ų182144 Ų14480%0.79869%0.691SS**SBendtrans-103-4.7176.7-162.1-100.4000114.7
156W49Very low52.6Low222 Ų222143.6 Ų143.684%0.84170%0.699SS**  trans-117.922.8-178.5-78.491.2000114.7P158W156-P158 WeakPolarHBondContact O-CD 3.1Å
157L48.5Very low51.3Low134 Ų134150.3 Ų150.370%0.70272%0.716SS**SBendtrans-80.1108.2157.3-73.1172.1000107.2R159L157-R159 PolarHBondContact O-N 3.14Å
158P47.5Very low49.8Very low106 Ų106152 Ų15269%0.68873%0.728SS**  trans-56.8120.3167.323-30.4000107.4W156 L160W156-P158 WeakPolarHBondContact O-CD 3.1Å; P158-L160 PolarHBondContact O-N 3.24Å
159R53.9Low48.7Very low245 Ų245151 Ų15193%0.92574%0.735SS**  trans-63.872.5175.3-172.1-175.6-176.4131.4-1.8109.6L157L157-R159 PolarHBondContact O-N 3.14Å
160L50.6Low47.4Very low126 Ų126153.9 Ų153.966%0.6675%0.745SS**  trans-135.863.7174.9-65.4173.6000109.6P158 T162P158-L160 PolarHBondContact O-N 3.24Å; L160-T162 HydrophobicContact CB-CG2 4.37Å; L160-T162 HydrophobicContact CD2-CG2 3.6Å; L160-T162 PolarHBondContact O-N 3.02Å
161Y48.2Very low46.6Very low235 Ų235157.5 Ų157.592%0.92276%0.756SS**  trans-8363146.6-153.5-95.4000107.5I163Y161-I163 PolarHBondContact O-N 3.1Å; Y161-I163 VanDerWaalsContact O-N 3.14Å
162T41.9Very low45.8Very low93 Ų93156.2 Ų156.257%0.57175%0.753SS**  trans-72.6100.7169.244.70000107.3L160 T164L160-T162 HydrophobicContact CB-CG2 4.37Å; L160-T162 HydrophobicContact CD2-CG2 3.6Å; L160-T162 PolarHBondContact O-N 3.02Å; T162-T164 PolarHBondContact O-N 3.31Å
163I52Low45.3Very low144 Ų144157.9 Ų157.974%0.73876%0.76SS**  trans5.390.2143.1-60.7164.7000112.7Y161 V165Y161-I163 PolarHBondContact O-N 3.1Å; Y161-I163 VanDerWaalsContact O-N 3.14Å; I163-V165 HydrophobicContact CG2-CG2 3.6Å; I163-V165 PolarHBondContact O-N 3.22Å
164T42.8Very low44.9Very low119 Ų119154.5 Ų154.573%0.7376%0.764SS**  trans-9183.9161.450.50000108T162 L166T162-T164 PolarHBondContact O-N 3.31Å; T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 PolarHBondContact O-N 2.76Å; T164-L166 VanDerWaalsContact O-N 3.1Å
165V47.2Very low44.5Very low125 Ų125152.7 Ų152.776%0.75877%0.767SS**  trans-68.893.7155.7179.10000106.5I163I163-V165 HydrophobicContact CG2-CG2 3.6Å; I163-V165 PolarHBondContact O-N 3.22Å
166L41.5Very low43.8Very low145 Ų145153.4 Ų153.476%0.75977%0.77SS**  trans-131.684.6169.3-85.1161.8000106.2T164T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 PolarHBondContact O-N 2.76Å; T164-L166 VanDerWaalsContact O-N 3.1Å
167K43.4Very low43.6Very low185 Ų185149 Ų14980%0.80476%0.762SS**  66.283.192.7-160.4102.8179.3-175.30112.3
168C30.9Very low43.2Very low127 Ų127150.2 Ų150.286%0.85877%0.768SS**  trans-129.9111.1158.4-74.90000109.3
169P43.4Very low43Very low114 Ų114151.7 Ų151.774%0.7477%0.769SS**  trans-82.7130.6171.432.4-26.7000109.7
170H32.2Very low42.3Very low161 Ų161145.5 Ų145.575%0.74576%0.763SS**  trans75.3124.7147.2-139.5-109.7000118.6
171L38.6Very low41.7Very low131 Ų131143.8 Ų143.869%0.68676%0.762SS**  trans71.6136.2157.4-72.6163.9000115.8
172L40.1Very low41.9Very low124 Ų124141.9 Ų141.965%0.64976%0.758SS**  cis-157.7142.817.7-97.9141.3000109.4
173K46.4Very low41.9Very low186 Ų186147.8 Ų147.881%0.80977%0.77SS**  trans16.7109.5143.9-63.6171-178175.30116.4
174T43.4Very low41.5Very low144 Ų144148 Ų14888%0.88377%0.768SS**  -175.8141.812831.70000109.5F176T174-F176 PolarHBondContact O-N 3.14Å
175N42.7Very low41.3Very low159 Ų159149.1 Ų149.185%0.8577%0.768SS**  trans-61.1120-179-71.3-60.8000111
176F36.2Very low40.9Very low196 Ų196147.5 Ų147.586%0.8676%0.762SS**  trans-126.6108.3153.4-134.3-93000109.4T174 L178T174-F176 PolarHBondContact O-N 3.14Å; F176-L178 PolarHBondContact O-N 3.26Å
177I43.8Very low40.9Very low129 Ų129147.9 Ų147.966%0.66276%0.763SS**  trans-65.3110.8171-66.4168.4000106.7I179I177-I179 HydrophobicContact CG2-CB 4.5Å; I177-I179 HydrophobicContact CG2-CD1 3.48Å; I177-I179 VanDerWaalsContact CG2-CD1 3.48Å; I177-I179 HydrophobicContact CG2-CG1 3.55Å
178L40.2Very low40.8Very low160 Ų160147.2 Ų147.284%0.83876%0.763SS**  trans-112.986.9157.1-153.678.6000108.5F176 S180F176-L178 PolarHBondContact O-N 3.26Å; L178-S180 PolarHBondContact O-N 3.22Å
179I43.8Very low41.1Very low137 Ų137146.9 Ų146.970%0.70376%0.757SS**  trans-66.2109.2162.1-65.1153.6000106.3I177I177-I179 HydrophobicContact CG2-CB 4.5Å; I177-I179 HydrophobicContact CG2-CD1 3.48Å; I177-I179 VanDerWaalsContact CG2-CD1 3.48Å; I177-I179 HydrophobicContact CG2-CG1 3.55Å
180S38.3Very low41.8Very low115 Ų115150.2 Ų150.280%0.80478%0.778SS**  trans-133.288.5142.3-1500000107.4L178 K182L178-S180 PolarHBondContact O-N 3.22Å; S180-K182 PolarHBondContact O-N 3.33Å
181S38.8Very low42.2Very low90 Ų90149.7 Ų149.763%0.62978%0.78SS**  trans-56.2119.5-176-1780000111R183S181-R183 PolarHBondContact O-N 3.38Å; S181-R183 VanDerWaalsContact O-N 3.1Å
182K51.6Low42.4Very low195 Ų195150.7 Ų150.785%0.84879%0.785SS**  trans-65.793.4169-169.2166.5-175.3175.50108.9S180 H184S180-K182 PolarHBondContact O-N 3.33Å; K182-H184 PolarHBondContact O-N 3.01Å
183R43.3Very low42.6Very low218 Ų218152.2 Ų152.282%0.82379%0.792SS**  trans-83.892.8168.3-65.2-165.1-144.71777.5109.4S181S181-R183 PolarHBondContact O-N 3.38Å; S181-R183 VanDerWaalsContact O-N 3.1Å
184H42.9Very low42.3Very low149 Ų149150.2 Ų150.269%0.6979%0.791SS**  trans-90.1106163.1-165.5-93.7000107.1K182 S186K182-H184 PolarHBondContact O-N 3.01Å; H184-S186 PolarHBondContact CE1-OG 3.1Å
185I39.9Very low42.3Very low142 Ų142150.6 Ų150.673%0.72879%0.786SS**  trans-112.394.6169.2-61.9166.6000105.5
186S38.6Very low42.2Very low91 Ų91150 Ų15064%0.63678%0.781SS**PPolyproline II helixtrans-70.3123.3166.4-850000108.5H184H184-S186 PolarHBondContact CE1-OG 3.1Å
187I39.9Very low42.7Very low153 Ų153146.7 Ų146.779%0.78578%0.776SS**PPolyproline II helixtrans-82.5118.8172.5-47.8171000106.4V189I187-V189 HydrophobicContact CG2-CG2 4.22Å
188H41.3Very low42.6Very low171 Ų171148.1 Ų148.179%0.79278%0.784SS**PPolyproline II helixtrans-94.8126.9173.8-173.7-60.9000108.6
189V37.1Very low42.8Very low120 Ų120147.1 Ų147.173%0.72778%0.78SS**  trans-141.2135.6171.1179.90000106.3I187I187-V189 HydrophobicContact CG2-CG2 4.22Å
190P58.1Low42.7Very low184 Ų184148 Ų148100%1.19579%0.787SS**  trans-68.30-151.928-38.6000116.5

Retrieved 190 of 190 residues in 187.9 ms (Link to these results)