A0A087YDZ1_POEFO Loading...

RNA binding motif single stranded interacting protein 1

AlphaFold DB , UniProt , Accession A0A087YDZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 371 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
1M36.7Very low39.6Very low227 Ų227150 Ų150100%1.11883%0.829SS**  0109.10-62.8168.1-173.400105.4
2I38Very low39.4Very low136 Ų136148.1 Ų148.170%0.69783%0.825SS**  cis57115.831.4-36166.6000108.1
3F39Very low39.3Very low201 Ų201145.8 Ų145.888%0.88282%0.818SS**  cis-139.2169.148.7-79.1-92.8000115.1
4A37.5Very low38.7Very low97 Ų97144.4 Ų144.480%0.80281%0.807SS**  trans-93.1159.9171.700000112.3
5N33.9Very low38.4Very low161 Ų161150.5 Ų150.586%0.86181%0.813SS**  trans-89.4161.5-169-163.720.5000114.3
6T50.7Low38.3Very low132 Ų132153.4 Ų153.481%0.8182%0.816SS**  trans-126152.4-177.1480000113.8
7G33.9Very low38Very low60 Ų60154.7 Ų154.762%0.61982%0.816SS**  trans145.1116.717300000111.7
8N40Very low37.7Very low162 Ų162151.9 Ų151.987%0.86681%0.811SS**  88.7148.865.2-77.4-14000112.9
9P53.8Low37.8Very low121 Ų121154.4 Ų154.479%0.78681%0.81SS**  cis-137-163.3-33.239.9-21.5000112.8
10L37.9Very low37.8Very low163 Ų163153.1 Ų153.185%0.85381%0.811SS**  trans-89.3159.2-178-48.494.1000114.9
11K34.5Very low37.8Very low190 Ų190154.7 Ų154.783%0.82682%0.816SS**  174.2130.2119.7-100.2176.8179.1179.60116.1
12T36.7Very low38.1Very low127 Ų127149.8 Ų149.878%0.77980%0.799SS**  trans47152.8136.965.20000121.2
13T37.9Very low38.4Very low119 Ų119149 Ų14973%0.7380%0.803SS**  cis-164.3156.314.7-1340000107.8
14N31.3Very low38.3Very low125 Ų125145.4 Ų145.467%0.66880%0.802SS**  -179.8157.172-153.2-22.6000113.4
15R34.9Very low38.4Very low236 Ų236145.9 Ų145.989%0.89180%0.8SS**  trans63.8158.6153.5-96.6166.6-166.4-156.71.1122.2
16K35.7Very low39.1Very low198 Ų198144.2 Ų144.286%0.86180%0.798SS**  trans-122150.1-167.2-54.1173179179.20110.8
17Q33.2Very low38.4Very low175 Ų175143.5 Ų143.582%0.81880%0.798SS**  trans-144.8151.6140.7-115.7172.3-7.800108.4
18S33.3Very low38.6Very low105 Ų105145.5 Ų145.573%0.73480%0.803SS**  trans-146.4130.4-161.954.40000112.8
19Y38.7Very low38.7Very low199 Ų199143.5 Ų143.578%0.7880%0.801SS**  trans-127.8149.1166.1-24-69.3000107.9
20P39.1Very low38Very low128 Ų128142.5 Ų142.583%0.83180%0.797SS**PPolyproline II helixtrans-79142.2-167.930.6-35.1000113.5
21M36.6Very low38.3Very low187 Ų187142.4 Ų142.492%0.92180%0.798SS**PPolyproline II helixtrans-71.6137.3161.3-67.6-71.2-163.400109.8
22T44Very low38.5Very low124 Ų124138.2 Ų138.276%0.76179%0.792SS**PPolyproline II helixtrans-96143.2160.947.60000109.8
23P43.3Very low38.5Very low120 Ų120136.6 Ų136.678%0.77979%0.786SS**PPolyproline II helixtrans-76.2131.7-178.529.9-33.8000111.5S25P23-S25 PolarHBondContact O-N 3.08Å
24S36.5Very low38.7Very low125 Ų125137 Ų13787%0.87479%0.793SS**  trans-70.8108.9173.9-57.10000111.1
25S41.1Very low39.1Very low107 Ų107136.5 Ų136.575%0.74880%0.795SS**  trans-61.9142.5170.4-62.40000111.5P23 S27P23-S25 PolarHBondContact O-N 3.08Å; S25-S27 PolarHBondContact O-N 3.47Å
26P48.7Very low39.5Very low125 Ų125129 Ų12981%0.81279%0.792SS**  trans-71.9110.5178.129.1-33.8000110.6S28P26-S28 PolarHBondContact O-N 3.18Å
27S35.6Very low39.9Very low118 Ų118127.3 Ų127.383%0.82579%0.791SS**  trans-71.195.9171.6570000109.7S25 S29S25-S27 PolarHBondContact O-N 3.47Å; S27-S29 PolarHBondContact O-N 2.92Å
28S38.1Very low41Very low102 Ų102124.7 Ų124.771%0.71378%0.779SS**  trans-37.6117.7-178.6540000114.4P26 S30P26-S28 PolarHBondContact O-N 3.18Å; S28-S30 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 2.93Å
29S42.5Very low42.9Very low119 Ų119124.5 Ų124.583%0.83277%0.766SS**  trans-70.683.816639.30000110.3S27 N31S27-S29 PolarHBondContact O-N 2.92Å; S29-N31 VanDerWaalsContact C-N 3.31Å; S29-N31 PolarHBondContact O-N 3.25Å
30S38.6Very low44.9Very low101 Ų101118.8 Ų118.871%0.70675%0.749SS**  trans-69.284.1177590000111.2S28 S32S28-S30 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 2.93Å; S30-S32 VanDerWaalsContact C-N 3.32Å; S30-S32 PolarHBondContact O-N 3.13Å
31N44.6Very low46.8Very low161 Ų161113.4 Ų113.486%0.86171%0.714SS**  trans-71.380.5177.3-175.240.6000111.4S29 S33S29-N31 VanDerWaalsContact C-N 3.31Å; S29-N31 PolarHBondContact O-N 3.25Å; N31-S33 PolarHBondContact O-N 3.32Å
32S37.4Very low49.1Very low102 Ų102111.5 Ų111.571%0.71370%0.701SS**  trans-88.190.8177.260.90000111.4S30S30-S32 VanDerWaalsContact C-N 3.32Å; S30-S32 PolarHBondContact O-N 3.13Å
33S36.5Very low51.3Low92 Ų92107.5 Ų107.564%0.64368%0.676SS**  trans19.6120.7151.559.10000118.6N31 T35N31-S33 PolarHBondContact O-N 3.32Å; S33-T35 PolarHBondContact O-N 2.97Å
34S43.8Very low53.6Low127 Ų127103.8 Ų103.889%0.88865%0.65SS**  trans-59.699.816953.80000113.2
35T39.8Very low56.3Low116 Ų11697.8 Ų97.871%0.71261%0.608SS**  trans-113.2141.9149.356.10000107.1S33 L37S33-T35 PolarHBondContact O-N 2.97Å; T35-L37 PolarHBondContact O-N 3.32Å
36G43.2Very low58.7Low79 Ų7994.7 Ų94.781%0.81458%0.58SS**  trans-49.4111.5-169.500000111.7E38G36-E38 PolarHBondContact O-N 3.36Å
37L42.7Very low60.9Low162 Ų16288.8 Ų88.885%0.84854%0.542SS*.  trans-64.7101.1-169.5-88168.1000109.8T35 Q39T35-L37 PolarHBondContact O-N 3.32Å; L37-Q39 PolarHBondContact O-N 2.93Å
38E57.8Low63.6Low120 Ų12089.7 Ų89.756%0.56153%0.527SS*.  trans-63.788.3163.7-68.9-160.3115.200107.9G36 L40 K115G36-E38 PolarHBondContact O-N 3.36Å; E38-L40 PolarHBondContact O-N 2.66Å; E38-K115 WeakPolarHBondContact OE1-CD 3.44Å; E38-K115 WeakPolarHBondContact OE1-CE 3.48Å; E38-K115 IonicContact OE1-NZ 2.89Å; E38-K115 PolarHBondContact OE1-NZ 3.24Å; E38-K115 WeakPolarHBondContact OE2-CE 3.49Å; E38-K115 IonicContact OE2-NZ 3.83Å; E38-K115 PolarHBondContact OE2-NZ 3.31Å
39Q72.2Confident65.9Low100 Ų10087.7 Ų87.747%0.46752%0.523SS..  trans-51.5107.6-175.5179.656.968.700108.7L37 Q116L37-Q39 PolarHBondContact O-N 2.93Å; Q39-Q116 HydrophobicContact CB-CB 4.41Å; Q39-Q116 HydrophobicContact CG-CB 4.17Å; Q39-Q116 WeakPolarHBondContact O-CA 3.32Å; Q39-Q116 WeakPolarHBondContact O-CB 3.07Å; Q39-Q116 PolarHBondContact O-N 3.3Å
40L79.9Confident68.1Low80 Ų8082.8 Ų82.842%0.41949%0.487SS..EExtended strand (participates in β ladder)trans-74.7140.6176.3-63.8-177.9000108.8E38 M113 K115E38-L40 PolarHBondContact O-N 2.66Å; L40-M113 HydrophobicContact CB-CB 4.13Å; L40-M113 HydrophobicContact CD1-CB 4.34Å; L40-K115 HydrophobicContact CD2-CG 4.27Å
41S80.3Confident70.5Confident14 Ų1481.8 Ų81.810%0.09848%0.478CS..EExtended strand (participates in β ladder)trans-63.1139.5175.8-53.90000109.2M113 A114 Q116S41-M113 WeakPolarHBondContact O-CE 3.36Å; S41-A114 VanDerWaalsContact CB-O 3.26Å; S41-A114 WeakPolarHBondContact CB-O 3.26Å; S41-A114 PolarHBondContact N-O 2.84Å; S41-A114 PolarHBondContact OG-O 3.37Å; S41-Q116 VanDerWaalsContact OG-CA 3.22Å; S41-Q116 WeakPolarHBondContact OG-CA 3.32Å; S41-Q116 PolarHBondContact OG-N 3.45Å
42K85.4Confident72.5Confident147 Ų14778.1 Ų78.164%0.63946%0.463SS*.EExtended strand (participates in β ladder)trans-78.3-26.1178.5-61.3178.8-177177.10112.5P94 M113K42-P94 HydrophobicContact CB-CB 4.3Å; K42-P94 VanDerWaalsContact O-CA 3.3Å; K42-P94 WeakPolarHBondContact O-CA 3.44Å; K42-P94 WeakPolarHBondContact O-CB 3.4Å; K42-M113 WeakPolarHBondContact O-CE 3.31Å
43T89.3Confident74.9Confident40 Ų4077.1 Ų77.125%0.24546%0.461CS..EExtended strand (participates in β ladder)trans-119.8-25.8-173.750.40000114.4D90 F91 A97T43-D90 VanDerWaalsContact C-OD1 3.31Å; T43-D90 WeakPolarHBondContact CB-OD1 3.39Å; T43-D90 PolarHBondContact OG1-OD1 2.91Å; T43-F91 VanDerWaalsContact CB-O 3.27Å; T43-F91 WeakPolarHBondContact CB-O 3.27Å; T43-F91 WeakPolarHBondContact CG2-O 3.46Å; T43-F91 PolarHBondContact O-N 3.03Å; T43-A97 WeakPolarHBondContact O-CB 3.41Å
44N92.1Very high77.3Confident42 Ų4273.5 Ų73.523%0.22544%0.435CS..EExtended strand (participates in β ladder)trans-93.1130.9-172-158.4-56.5000111.5V89 D90 A114N44-V89 CarbonylContact C-O 3.55Å; N44-D90 WeakPolarHBondContact CA-OD1 3.31Å; N44-D90 HydrophobicContact CB-CB 4.39Å; N44-D90 WeakPolarHBondContact CB-OD1 3.39Å; N44-D90 PolarHBondContact N-OD1 3.23Å; N44-A114 HydrophobicContact CB-CB 4.22Å; N44-A114 WeakPolarHBondContact O-CB 3.23Å; N44-A114 PolarHBondContact O-N 2.9Å
45L92.4Very high79.6Confident0 Ų070.2 Ų70.20%041%0.41CS..EExtended strand (participates in β ladder)trans-108.8141.2-179.6-54.7-164.5000111.2I47 F88 V89 F91 A97 A100 V101 Q112 M113L45-I47 HydrophobicContact CB-CG1 4.35Å; L45-F88 CarbonylContact O-C 3.57Å; L45-F88 WeakPolarHBondContact O-CA 3.43Å; L45-V89 PolarHBondContact N-O 3.2Å; L45-V89 PolarHBondContact O-N 2.93Å; L45-F91 HydrophobicContact CD1-CD2 4.26Å; L45-F91 HydrophobicContact CD1-CE2 3.67Å; L45-F91 HydrophobicContact CG-CD2 4.23Å; L45-F91 HydrophobicContact CG-CE2 4.09Å; L45-A97 HydrophobicContact CD2-CB 3.9Å; L45-A97 HydrophobicContact CG-CB 4.48Å; L45-A100 HydrophobicContact CD1-CB 3.77Å; L45-V101 HydrophobicContact CD1-CG2 3.7Å; L45-V101 HydrophobicContact CD2-CG2 3.36Å; L45-V101 HydrophobicContact CG-CG2 4.1Å; L45-Q112 CarbonylContact C-O 3.5Å; L45-Q112 VanDerWaalsContact CA-O 3.31Å; L45-Q112 WeakPolarHBondContact CA-O 3.36Å; L45-M113 HydrophobicContact CD2-CE 3.64Å; L45-M113 HydrophobicContact CD2-SD 3.45Å; L45-M113 WeakPolarHBondContact CD2-SD 3.48Å
46Y92.9Very high82.1Confident42 Ų4268 Ų6817%0.16539%0.394CS..EExtended strand (participates in β ladder)trans-100.7126165172.6-105.4000108.4R48 Y86 F88 A111 Q112Y46-R48 HydrophobicContact CE1-CB 3.91Å; Y46-Y86 HydrophobicContact CD2-CD2 4.37Å; Y46-Y86 AromaticContact CE2-CD2 3.53Å; Y46-Y86 HydrophobicContact CE2-CD2 3.53Å; Y46-Y86 HydrophobicContact CE2-CE2 4.28Å; Y46-Y86 AromaticContact CE2-CG 3.85Å; Y46-Y86 HydrophobicContact CE2-CG 3.85Å; Y46-F88 HydrophobicContact CD2-CD1 4.29Å; Y46-F88 AromaticContact CD2-CE1 3.67Å; Y46-F88 HydrophobicContact CD2-CE1 3.67Å; Y46-F88 HydrophobicContact CD2-CE2 4.42Å; Y46-F88 AromaticContact CD2-CZ 3.75Å; Y46-F88 HydrophobicContact CD2-CZ 3.75Å; Y46-F88 HydrophobicContact CE2-CZ 4.29Å; Y46-F88 HydrophobicContact CG-CE1 4.37Å; Y46-A111 WeakPolarHBondContact O-CA 3.19Å; Y46-Q112 HydrophobicContact CD1-CG 3.89Å; Y46-Q112 PolarHBondContact N-O 3.37Å; Y46-Q112 PolarHBondContact O-N 2.96Å
47I92.9Very high84.3Confident0 Ų067.9 Ų67.90%037%0.374CS..EExtended strand (participates in β ladder)trans-123125.3-177.3-53.8177.3000108.6L45 L50 L59 Y86 G87 V89 L104 I109 Q110 A111L45-I47 HydrophobicContact CB-CG1 4.35Å; I47-L50 HydrophobicContact CG2-CD2 3.78Å; I47-L50 HydrophobicContact CG2-CG 4.37Å; I47-L59 HydrophobicContact CD1-CD2 4.11Å; I47-Y86 CarbonylContact O-C 3.42Å; I47-Y86 WeakPolarHBondContact O-CA 3.5Å; I47-Y86 VanDerWaalsContact O-CB 3.3Å; I47-Y86 WeakPolarHBondContact O-CB 3.31Å; I47-G87 PolarHBondContact N-O 3.36Å; I47-G87 PolarHBondContact O-N 2.77Å; I47-V89 HydrophobicContact CD1-CB 4.34Å; I47-V89 HydrophobicContact CD1-CG2 3.78Å; I47-L104 HydrophobicContact CD1-CD1 3.82Å; I47-L104 HydrophobicContact CG1-CD1 4.44Å; I47-I109 HydrophobicContact CG2-CG2 3.52Å; I47-Q110 WeakPolarHBondContact CA-O 3.19Å; I47-A111 HydrophobicContact CG1-CB 4.25Å
48R92.4Very high86.7Confident137 Ų13762.7 Ų62.752%0.51735%0.347SS..EExtended strand (participates in β ladder)trans-124.2158.8-177-175.3175.7-177.8147.4-3.2111Y46 G85 Q110Y46-R48 HydrophobicContact CE1-CB 3.91Å; R48-G85 CarbonylContact C-O 3.52Å; R48-G85 WeakPolarHBondContact CA-O 3.49Å; R48-Q110 HydrophobicContact CB-CB 4.07Å; R48-Q110 PolarHBondContact N-O 2.85Å; R48-Q110 WeakPolarHBondContact O-CB 3.4Å; R48-Q110 PolarHBondContact O-N 2.98Å
49G87.3Confident88.3Confident61 Ų6157 Ų5763%0.62932%0.321SS*.  trans86.517.6-176.400000113.2G85G49-G85 PolarHBondContact N-O 2.93Å
50L88.9Confident89.3Confident15 Ų1553.3 Ų53.38%0.07931%0.305CS..  trans-71.4140.8177-55.6177000110.2I47 T54 L59 G85I47-L50 HydrophobicContact CG2-CD2 3.78Å; I47-L50 HydrophobicContact CG2-CG 4.37Å; L50-T54 HydrophobicContact CB-CG2 4.27Å; L50-T54 HydrophobicContact CD1-CG2 4.13Å; L50-T54 HydrophobicContact CD2-CG2 4.32Å; L50-T54 HydrophobicContact CG-CG2 4.48Å; L50-L59 HydrophobicContact CD1-CD1 4.17Å; L50-L59 HydrophobicContact CD1-CD2 3.82Å; L50-L59 HydrophobicContact CD1-CG 4.3Å; L50-L59 HydrophobicContact CD2-CD2 4.06Å; L50-G85 PolarHBondContact N-O 2.69Å; L50-G85 VanDerWaalsContact N-O 3.13Å; L50-G85 VanDerWaalsContact O-CA 3.31Å; L50-G85 WeakPolarHBondContact O-CA 3.46Å
51P87.9Confident89.8Confident80 Ų8055.5 Ų55.552%0.51931%0.311SS..  trans-62.2155.7171.518.2-25.8000112.2A53 T54P51-A53 PolarHBondContact O-N 3.48Å; P51-T54 WeakPolarHBondContact CD-OG1 3.45Å; P51-T54 VanDerWaalsContact CG-OG1 3.28Å; P51-T54 WeakPolarHBondContact CG-OG1 3.3Å; P51-T54 PolarHBondContact O-N 2.99Å; P51-T54 PolarHBondContact O-OG1 2.85Å
52P86.9Confident90.2Very high85 Ų8557.8 Ų57.855%0.55232%0.322SS*.THydrogen-bonded Turntrans-66.2-4.9-17426.8-35.8000114.7C83P52-C83 WeakPolarHBondContact O-CB 3.31Å; P52-C83 PolarHBondContact O-N 2.95Å; P52-C83 PolarHBondContact O-SG 2.88Å
53A87.3Confident90.5Very high80 Ų8050.8 Ų50.866%0.66129%0.291SS*.THydrogen-bonded Turntrans-105-1.917700000114.4P51 T55P51-A53 PolarHBondContact O-N 3.48Å; A53-T55 PolarHBondContact O-N 3.31Å; A53-T55 VanDerWaalsContact O-N 3.12Å
54T88.6Confident90.5Very high16 Ų1654.7 Ų54.710%0.09831%0.306CS..  trans-66.4108-176.6-63.50000112.8L50 P51 D58 L59 A74 C83L50-T54 HydrophobicContact CB-CG2 4.27Å; L50-T54 HydrophobicContact CD1-CG2 4.13Å; L50-T54 HydrophobicContact CD2-CG2 4.32Å; L50-T54 HydrophobicContact CG-CG2 4.48Å; P51-T54 WeakPolarHBondContact CD-OG1 3.45Å; P51-T54 VanDerWaalsContact CG-OG1 3.28Å; P51-T54 WeakPolarHBondContact CG-OG1 3.3Å; P51-T54 PolarHBondContact O-N 2.99Å; P51-T54 PolarHBondContact O-OG1 2.85Å; T54-D58 HydrophobicContact CG2-CB 4.12Å; T54-L59 HydrophobicContact CG2-CG 4.08Å; T54-A74 WeakPolarHBondContact O-CB 3.33Å; T54-C83 PolarHBondContact O-SG 3.28Å
55T91.1Very high90.5Very high58 Ų5857.8 Ų57.836%0.35632%0.32SS..  trans-74.9168.817565.90000112.3A53 L57 D58 L59A53-T55 PolarHBondContact O-N 3.31Å; A53-T55 VanDerWaalsContact O-N 3.12Å; T55-L57 VanDerWaalsContact C-N 3.26Å; T55-L57 PolarHBondContact O-N 2.94Å; T55-L57 PolarHBondContact OG1-N 2.92Å; T55-D58 WeakPolarHBondContact CB-OD2 3.3Å; T55-D58 PolarHBondContact N-OD2 2.77Å; T55-D58 PolarHBondContact O-N 3.11Å; T55-D58 PolarHBondContact OG1-N 3.22Å; T55-D58 PolarHBondContact OG1-OD2 2.82Å; T55-L59 PolarHBondContact O-N 2.95Å
56D91.7Very high90.5Very high70 Ų7059.2 Ų59.237%0.37433%0.325SS..Hα-helixtrans-60.2-36.6167.658.5-72.9000112D58 L59 V60 Y217D56-D58 VanDerWaalsContact C-N 3.28Å; D56-D58 PolarHBondContact O-N 3.18Å; D56-L59 WeakPolarHBondContact O-CB 3.49Å; D56-L59 PolarHBondContact O-N 3.46Å; D56-V60 WeakPolarHBondContact O-CG2 3.11Å; D56-V60 PolarHBondContact O-N 3.02Å; D56-Y217 PolarHBondContact OD2-OH 2.99Å
57L91.1Very high90.4Very high76 Ų7658.3 Ų58.340%0.39833%0.328SS..Hα-helixtrans-58.7-37.7173.217065.6000112T55 V60 K61 Y217T55-L57 VanDerWaalsContact C-N 3.26Å; T55-L57 PolarHBondContact O-N 2.94Å; T55-L57 PolarHBondContact OG1-N 2.92Å; L57-V60 WeakPolarHBondContact O-CB 3.27Å; L57-V60 PolarHBondContact O-N 2.98Å; L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 3.01Å; L57-Y217 WeakPolarHBondContact CA-OH 3.47Å; L57-Y217 HydrophobicContact CD1-CE1 3.88Å
58D91.8Very high90.4Very high54 Ų5463.9 Ų63.929%0.28935%0.352SS..Hα-helixtrans-74-33178.4-56.1-47.1000112.1T54 T55 D56 K61 L62T54-D58 HydrophobicContact CG2-CB 4.12Å; T55-D58 WeakPolarHBondContact CB-OD2 3.3Å; T55-D58 PolarHBondContact N-OD2 2.77Å; T55-D58 PolarHBondContact O-N 3.11Å; T55-D58 PolarHBondContact OG1-N 3.22Å; T55-D58 PolarHBondContact OG1-OD2 2.82Å; D56-D58 VanDerWaalsContact C-N 3.28Å; D56-D58 PolarHBondContact O-N 3.18Å; D58-K61 PolarHBondContact O-N 2.88Å; D58-K61 IonicContact OD1-NZ 2.73Å; D58-K61 PolarHBondContact OD1-NZ 3.33Å; D58-L62 VanDerWaalsContact O-CB 3.25Å; D58-L62 WeakPolarHBondContact O-CB 3.42Å; D58-L62 PolarHBondContact O-N 3.03Å
59L91.6Very high90.4Very high1 Ų158.7 Ų58.71%0.00534%0.335CS..Hα-helixtrans-63.7-39.4167.8-76.6169.6000112.1I47 L50 T54 T55 D56 C63 A72 A74 V89I47-L59 HydrophobicContact CD1-CD2 4.11Å; L50-L59 HydrophobicContact CD1-CD1 4.17Å; L50-L59 HydrophobicContact CD1-CD2 3.82Å; L50-L59 HydrophobicContact CD1-CG 4.3Å; L50-L59 HydrophobicContact CD2-CD2 4.06Å; T54-L59 HydrophobicContact CG2-CG 4.08Å; T55-L59 PolarHBondContact O-N 2.95Å; D56-L59 WeakPolarHBondContact O-CB 3.49Å; D56-L59 PolarHBondContact O-N 3.46Å; L59-C63 VanDerWaalsContact O-CB 3.27Å; L59-C63 WeakPolarHBondContact O-CB 3.26Å; L59-C63 PolarHBondContact O-N 3.04Å; L59-C63 PolarHBondContact O-SG 3.39Å; L59-C63 VanDerWaalsContact O-SG 3.33Å; L59-A72 HydrophobicContact CB-CB 4.13Å; L59-A74 HydrophobicContact CD1-CB 4.09Å; L59-V89 HydrophobicContact CB-CG2 4.1Å; L59-V89 HydrophobicContact CD2-CG2 4.23Å
60V92.6Very high90.5Very high22 Ų2260.8 Ų60.813%0.13333%0.328CS..Hα-helixtrans-60-56.1172.2175.10000110.1D56 L57 L62 C63 H64 I69 A72 Y217D56-V60 WeakPolarHBondContact O-CG2 3.11Å; D56-V60 PolarHBondContact O-N 3.02Å; L57-V60 WeakPolarHBondContact O-CB 3.27Å; L57-V60 PolarHBondContact O-N 2.98Å; V60-L62 VanDerWaalsContact C-N 3.3Å; V60-L62 PolarHBondContact O-N 3.09Å; V60-C63 PolarHBondContact O-N 2.72Å; V60-C63 VanDerWaalsContact O-N 3.13Å; V60-H64 WeakPolarHBondContact O-CB 3.42Å; V60-H64 PolarHBondContact O-N 3.37Å; V60-I69 HydrophobicContact CB-CD1 4.47Å; V60-I69 HydrophobicContact CG1-CD1 4.31Å; V60-A72 HydrophobicContact CG2-CB 3.58Å; V60-Y217 HydrophobicContact CB-CE1 4.43Å; V60-Y217 HydrophobicContact CG1-CD1 4.45Å; V60-Y217 HydrophobicContact CG1-CE1 4.35Å; V60-Y217 HydrophobicContact CG2-CE1 4.11Å; V60-Y217 HydrophobicContact CG2-CE2 4.31Å
61K91.6Very high90.4Very high126 Ų12661.4 Ų61.455%0.54833%0.334SS..Hα-helixtrans-52.3-47.8-179.9-69.2167.8-166.8153.60112.1L57 D58 C63L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 3.01Å; D58-K61 PolarHBondContact O-N 2.88Å; D58-K61 IonicContact OD1-NZ 2.73Å; D58-K61 PolarHBondContact OD1-NZ 3.33Å; K61-C63 PolarHBondContact O-N 2.88Å
62L89.4Confident90.6Very high61 Ų6158.3 Ų58.332%0.31932%0.315SS..Hα-helixtrans-61.6-43-179.6177.664.7000112.1D58 V60 Q65 L104 I109D58-L62 VanDerWaalsContact O-CB 3.25Å; D58-L62 WeakPolarHBondContact O-CB 3.42Å; D58-L62 PolarHBondContact O-N 3.03Å; V60-L62 VanDerWaalsContact C-N 3.3Å; V60-L62 PolarHBondContact O-N 3.09Å; L62-Q65 PolarHBondContact O-NE2 3.1Å; L62-L104 HydrophobicContact CD1-CD2 3.96Å; L62-L104 HydrophobicContact CD2-CD2 3.85Å; L62-L104 HydrophobicContact CG-CD2 3.76Å; L62-I109 HydrophobicContact CD1-CD1 4.03Å; L62-I109 HydrophobicContact CD2-CD1 3.8Å
63C90.1Very high90.8Very high0 Ų058.5 Ų58.50%031%0.307CS..Hα-helixtrans-94.5-20.3-169.8-64.30000114.6L59 V60 K61 Q65 Y66 I69 V89 F91L59-C63 VanDerWaalsContact O-CB 3.27Å; L59-C63 WeakPolarHBondContact O-CB 3.26Å; L59-C63 PolarHBondContact O-N 3.04Å; L59-C63 PolarHBondContact O-SG 3.39Å; L59-C63 VanDerWaalsContact O-SG 3.33Å; V60-C63 PolarHBondContact O-N 2.72Å; V60-C63 VanDerWaalsContact O-N 3.13Å; K61-C63 PolarHBondContact O-N 2.88Å; C63-Q65 PolarHBondContact O-N 3.29Å; C63-Y66 WeakPolarHBondContact O-CB 3.35Å; C63-Y66 WeakPolarHBondContact O-CD2 3.45Å; C63-Y66 PolarHBondContact O-N 3.36Å; C63-I69 HydrophobicContact CB-CD1 3.64Å; C63-I69 HydrophobicContact CB-CG1 4.47Å; C63-V89 HydrophobicContact CB-CG1 4.04Å; C63-F91 HydrophobicContact CB-CZ 3.88Å
64H90.8Very high91Very high122 Ų12255.1 Ų55.157%0.56528%0.279SS*.Hα-helixtrans-61.7-36.1-167.7177.579.2000114.1V60 Y66 G67 I69V60-H64 WeakPolarHBondContact O-CB 3.42Å; V60-H64 PolarHBondContact O-N 3.37Å; H64-Y66 PolarHBondContact O-N 3.49Å; H64-G67 CarbonylContact O-C 3.6Å; H64-G67 PolarHBondContact O-N 2.86Å; H64-G67 VanDerWaalsContact O-N 3.11Å; H64-G67 VanDerWaalsContact O-O 3.07Å; H64-I69 HydrophobicContact CB-CD1 4.26Å
65Q91.6Very high91.1Very high108 Ų10856.1 Ų56.151%0.50528%0.283SS..THydrogen-bonded Turntrans-69.5-13.417850.154.552.200114L62 C63L62-Q65 PolarHBondContact O-NE2 3.1Å; C63-Q65 PolarHBondContact O-N 3.29Å
66Y91.1Very high91.1Very high30 Ų3057.4 Ų57.412%0.11829%0.287CS..THydrogen-bonded Turntrans-78.9-26.5171.3-57-51.4000112.3C63 H64 K99 A100 A103 L104C63-Y66 WeakPolarHBondContact O-CB 3.35Å; C63-Y66 WeakPolarHBondContact O-CD2 3.45Å; C63-Y66 PolarHBondContact O-N 3.36Å; H64-Y66 PolarHBondContact O-N 3.49Å; Y66-K99 HydrophobicContact CD1-CG 4.45Å; Y66-A100 HydrophobicContact CD2-CB 3.37Å; Y66-A100 HydrophobicContact CE2-CB 4.2Å; Y66-A100 HydrophobicContact CG-CB 3.68Å; Y66-A103 HydrophobicContact CD1-CB 4.05Å; Y66-A103 HydrophobicContact CE1-CB 3.22Å; Y66-A103 HydrophobicContact CE2-CB 4.48Å; Y66-A103 VanDerWaalsContact CZ-CB 3.49Å; Y66-L104 HydrophobicContact CE2-CD1 4.36Å; Y66-L104 HydrophobicContact CE2-CD2 3.86Å; Y66-L104 HydrophobicContact CE2-CG 3.72Å
67G90.9Very high91Very high22 Ų2256.6 Ų56.623%0.22728%0.283CS..SBendtrans159.3177.6175.200000113.2H64 I69 F91H64-G67 CarbonylContact O-C 3.6Å; H64-G67 PolarHBondContact O-N 2.86Å; H64-G67 VanDerWaalsContact O-N 3.11Å; H64-G67 VanDerWaalsContact O-O 3.07Å; G67-I69 PolarHBondContact O-N 3Å; G67-F91 WeakPolarHBondContact O-CE1 3.27Å
68K92.9Very high90.8Very high117 Ų11762.3 Ų62.351%0.50931%0.305SS..  trans-58.8124.9179.7-179.6-178170.7-125.90111.3F91 D92K68-F91 WeakPolarHBondContact O-CA 3.41Å; K68-F91 WeakPolarHBondContact O-CD1 3.05Å; K68-D92 HydrophobicContact CB-CB 3.87Å; K68-D92 HydrophobicContact CD-CB 3.86Å; K68-D92 HydrophobicContact CG-CB 3.88Å; K68-D92 IonicContact NZ-OD1 3.86Å; K68-D92 IonicContact NZ-OD2 2.66Å; K68-D92 PolarHBondContact NZ-OD2 2.78Å; K68-D92 WeakPolarHBondContact O-CB 3.25Å; K68-D92 PolarHBondContact O-N 2.9Å
69I92.9Very high90.7Very high28 Ų2865.1 Ų65.114%0.14432%0.324CS..EExtended strand (participates in β ladder)trans-92.7133.7174.9-63.6171000108.7V60 C63 H64 G67 S71 A72 V89 F91V60-I69 HydrophobicContact CB-CD1 4.47Å; V60-I69 HydrophobicContact CG1-CD1 4.31Å; C63-I69 HydrophobicContact CB-CD1 3.64Å; C63-I69 HydrophobicContact CB-CG1 4.47Å; H64-I69 HydrophobicContact CB-CD1 4.26Å; G67-I69 PolarHBondContact O-N 3Å; I69-S71 VanDerWaalsContact CG2-C 3.5Å; I69-S71 WeakPolarHBondContact CG2-O 3.41Å; I69-A72 HydrophobicContact CG2-CB 4.22Å; I69-V89 HydrophobicContact CD1-CG1 4.08Å; I69-V89 HydrophobicContact CG1-CG1 4.07Å; I69-V89 HydrophobicContact CG2-CG1 4.02Å; I69-F91 HydrophobicContact CG1-CD1 4.26Å; I69-F91 HydrophobicContact CG1-CE1 3.99Å; I69-F91 HydrophobicContact CG1-CZ 4.4Å
70Q90.3Very high90.6Very high105 Ų10569 Ų6949%0.49135%0.348SS..EExtended strand (participates in β ladder)trans-92.1-33.5172.8-67.9-81.480.700111.5D90 D92Q70-D90 PolarHBondContact N-O 2.73Å; Q70-D92 HydrophobicContact CG-CB 3.9Å; Q70-D92 PolarHBondContact NE2-OD2 2.9Å; Q70-D92 PolarHBondContact OE1-OD2 3.08Å
71S87.1Confident90.3Very high29 Ų2973.5 Ų73.520%0.20337%0.371CS..EExtended strand (participates in β ladder)trans-157.9142.4172.2179.20000111.1I69 V89 D90 H212I69-S71 VanDerWaalsContact CG2-C 3.5Å; I69-S71 WeakPolarHBondContact CG2-O 3.41Å; S71-V89 CarbonylContact O-C 3.58Å; S71-V89 WeakPolarHBondContact O-CA 3.28Å; S71-D90 PolarHBondContact N-O 2.86Å; S71-D90 PolarHBondContact O-N 3.1Å; S71-H212 PolarHBondContact OG-CE1 3.4Å
72A91.7Very high90.1Very high14 Ų1474 Ų7412%0.11637%0.373CS..EExtended strand (participates in β ladder)trans-128.7146.216700000109.5L59 V60 I69 F88 V89L59-A72 HydrophobicContact CB-CB 4.13Å; V60-A72 HydrophobicContact CG2-CB 3.58Å; I69-A72 HydrophobicContact CG2-CB 4.22Å; A72-F88 CarbonylContact C-O 3.55Å; A72-F88 WeakPolarHBondContact CA-O 3.17Å; A72-V89 HydrophobicContact CB-CG1 4.47Å; A72-V89 HydrophobicContact CB-CG2 4.1Å
73K90.8Very high90.1Very high90 Ų9071.9 Ų71.939%0.39136%0.363SS..EExtended strand (participates in β ladder)trans-158.4113-177-171.1178.4177.6-172.40112.7I75 G87 F88K73-I75 HydrophobicContact CD-CD1 4.27Å; K73-I75 HydrophobicContact CG-CD1 4.3Å; K73-G87 CarbonylContact O-C 3.57Å; K73-G87 WeakPolarHBondContact O-CA 3.37Å; K73-F88 PolarHBondContact N-O 3.07Å; K73-F88 PolarHBondContact O-N 2.88Å
74A91.5Very high90.1Very high9 Ų976.8 Ų76.87%0.07439%0.385CS..EExtended strand (participates in β ladder)trans-68.6139.5163.300000109.7T54 L59 L76T54-A74 WeakPolarHBondContact O-CB 3.33Å; L59-A74 HydrophobicContact CD1-CB 4.09Å; A74-L76 HydrophobicContact CB-CD2 4.48Å
75I91.2Very high90.1Very high36 Ų3671.9 Ų71.919%0.18537%0.367CS..EExtended strand (participates in β ladder)trans-91.6110.1173.6-58.5-53.6000108.6K73 K84 Y86 F88K73-I75 HydrophobicContact CD-CD1 4.27Å; K73-I75 HydrophobicContact CG-CD1 4.3Å; I75-K84 HydrophobicContact CG2-CD 4.05Å; I75-K84 HydrophobicContact CG2-CG 4.46Å; I75-K84 WeakPolarHBondContact O-CB 3.02Å; I75-K84 WeakPolarHBondContact O-CG 3.01Å; I75-K84 PolarHBondContact O-N 2.84Å; I75-Y86 HydrophobicContact CB-CD2 4Å; I75-Y86 HydrophobicContact CB-CE2 3.66Å; I75-Y86 HydrophobicContact CG1-CD2 3.86Å; I75-Y86 HydrophobicContact CG1-CE2 3.58Å; I75-Y86 HydrophobicContact CG2-CE2 3.88Å; I75-Y86 PolarHBondContact N-O 3.27Å; I75-F88 HydrophobicContact CD1-CD2 3.96Å; I75-F88 HydrophobicContact CD1-CE2 4.14Å; I75-F88 HydrophobicContact CG1-CD2 3.86Å; I75-F88 HydrophobicContact CG1-CE2 3.81Å
76L90.7Very high90.1Very high85 Ų8569.8 Ų69.845%0.44536%0.355SS..EExtended strand (participates in β ladder)trans-83.4150.4175.2-51.2-175.9000111.1A74 K82 C83A74-L76 HydrophobicContact CB-CD2 4.48Å; L76-K82 CarbonylContact C-O 3.59Å; L76-K82 WeakPolarHBondContact CA-O 3.26Å; L76-C83 HydrophobicContact CD2-CB 4.19Å; L76-C83 WeakPolarHBondContact CD2-SG 3.18Å
77D89.4Confident90.2Very high54 Ų5468.3 Ų68.329%0.28935%0.349SS..  trans-78.8139.8166.5-160.10.2000110.4T79 N81 K82 K84D77-T79 VanDerWaalsContact C-N 3.29Å; D77-T79 PolarHBondContact O-N 2.9Å; D77-T79 PolarHBondContact OD2-OG1 2.92Å; D77-N81 WeakPolarHBondContact O-CA 3.42Å; D77-N81 PolarHBondContact O-N 3.48Å; D77-K82 PolarHBondContact N-O 2.96Å; D77-K84 HydrophobicContact CB-CD 4.24Å; D77-K84 HydrophobicContact CB-CG 3.89Å
78K87.8Confident90.3Very high196 Ų19670.5 Ų70.585%0.85235%0.353SS*.THydrogen-bonded Turntrans-74.4-21.8-174.9-65.5-176.3179.9179.90113.1
79T89.7Confident90.4Very high113 Ų11365 Ų6569%0.69333%0.328SS*.THydrogen-bonded Turntrans-85.4-48.9-178.451.10000111.6D77D77-T79 VanDerWaalsContact C-N 3.29Å; D77-T79 PolarHBondContact O-N 2.9Å; D77-T79 PolarHBondContact OD2-OG1 2.92Å
80T88.2Confident90.3Very high82 Ų8265.6 Ų65.650%0.50333%0.332SS..THydrogen-bonded Turntrans-97.3-14-174.764.10000114K82T80-K82 PolarHBondContact O-N 3.37Å; T80-K82 VanDerWaalsContact O-N 3.08Å; T80-K82 PolarHBondContact OG1-N 3.39Å
81N86.5Confident90.5Very high116 Ų11660.7 Ų60.762%0.6231%0.309SS*.  trans55.613.4-168.7-65.9-84.1000114.7D77D77-N81 WeakPolarHBondContact O-CA 3.42Å; D77-N81 PolarHBondContact O-N 3.48Å
82K88.6Confident90.7Very high137 Ų13763.1 Ų63.160%0.59632%0.32SS*.SBendtrans-94162.8174.9-62.1-167.9-179.2-174.40111.5L76 D77 T80L76-K82 CarbonylContact C-O 3.59Å; L76-K82 WeakPolarHBondContact CA-O 3.26Å; D77-K82 PolarHBondContact N-O 2.96Å; T80-K82 PolarHBondContact O-N 3.37Å; T80-K82 VanDerWaalsContact O-N 3.08Å; T80-K82 PolarHBondContact OG1-N 3.39Å
83C88.8Confident90.7Very high16 Ų1664.8 Ų64.811%0.10833%0.33CS..EExtended strand (participates in β ladder)trans-75.5132.5-173.1-45.10000110.9P52 T54 L76 G85P52-C83 WeakPolarHBondContact O-CB 3.31Å; P52-C83 PolarHBondContact O-N 2.95Å; P52-C83 PolarHBondContact O-SG 2.88Å; T54-C83 PolarHBondContact O-SG 3.28Å; L76-C83 HydrophobicContact CD2-CB 4.19Å; L76-C83 WeakPolarHBondContact CD2-SG 3.18Å; C83-G85 PolarHBondContact O-N 2.71Å
84K90.1Very high90.8Very high104 Ų10463.5 Ų63.545%0.45233%0.332SS..EExtended strand (participates in β ladder)trans-73.716.8-179-59.1-167.774.4170.50114.2I75 D77 Y86I75-K84 HydrophobicContact CG2-CD 4.05Å; I75-K84 HydrophobicContact CG2-CG 4.46Å; I75-K84 WeakPolarHBondContact O-CB 3.02Å; I75-K84 WeakPolarHBondContact O-CG 3.01Å; I75-K84 PolarHBondContact O-N 2.84Å; D77-K84 HydrophobicContact CB-CD 4.24Å; D77-K84 HydrophobicContact CB-CG 3.89Å; K84-Y86 VanDerWaalsContact C-N 3.27Å; K84-Y86 HydrophobicContact CB-CD1 3.9Å; K84-Y86 HydrophobicContact CB-CE1 3.56Å; K84-Y86 HydrophobicContact CD-CE1 4.36Å; K84-Y86 VanDerWaalsContact O-CD1 3.26Å; K84-Y86 WeakPolarHBondContact O-CD1 3.45Å; K84-Y86 PolarHBondContact O-N 3.39Å
85G89.9Confident90.9Very high18 Ų1866.2 Ų66.219%0.18635%0.354CS..EExtended strand (participates in β ladder)trans7311-174.800000115.6R48 G49 L50 C83R48-G85 CarbonylContact C-O 3.52Å; R48-G85 WeakPolarHBondContact CA-O 3.49Å; G49-G85 PolarHBondContact N-O 2.93Å; L50-G85 PolarHBondContact N-O 2.69Å; L50-G85 VanDerWaalsContact N-O 3.13Å; L50-G85 VanDerWaalsContact O-CA 3.31Å; L50-G85 WeakPolarHBondContact O-CA 3.46Å; C83-G85 PolarHBondContact O-N 2.71Å
86Y92.5Very high91Very high64 Ų6465.1 Ų65.125%0.25135%0.35SS..EExtended strand (participates in β ladder)trans-148159.8176.168.4-90.1000113.7Y46 I47 I75 K84 F88Y46-Y86 HydrophobicContact CD2-CD2 4.37Å; Y46-Y86 AromaticContact CE2-CD2 3.53Å; Y46-Y86 HydrophobicContact CE2-CD2 3.53Å; Y46-Y86 HydrophobicContact CE2-CE2 4.28Å; Y46-Y86 AromaticContact CE2-CG 3.85Å; Y46-Y86 HydrophobicContact CE2-CG 3.85Å; I47-Y86 CarbonylContact O-C 3.42Å; I47-Y86 WeakPolarHBondContact O-CA 3.5Å; I47-Y86 VanDerWaalsContact O-CB 3.3Å; I47-Y86 WeakPolarHBondContact O-CB 3.31Å; I75-Y86 HydrophobicContact CB-CD2 4Å; I75-Y86 HydrophobicContact CB-CE2 3.66Å; I75-Y86 HydrophobicContact CG1-CD2 3.86Å; I75-Y86 HydrophobicContact CG1-CE2 3.58Å; I75-Y86 HydrophobicContact CG2-CE2 3.88Å; I75-Y86 PolarHBondContact N-O 3.27Å; K84-Y86 VanDerWaalsContact C-N 3.27Å; K84-Y86 HydrophobicContact CB-CD1 3.9Å; K84-Y86 HydrophobicContact CB-CE1 3.56Å; K84-Y86 HydrophobicContact CD-CE1 4.36Å; K84-Y86 VanDerWaalsContact O-CD1 3.26Å; K84-Y86 WeakPolarHBondContact O-CD1 3.45Å; K84-Y86 PolarHBondContact O-N 3.39Å; Y86-F88 HydrophobicContact CD2-CE2 4.25Å; Y86-F88 HydrophobicContact CE2-CE2 4.18Å
87G92.6Very high91.1Very high0 Ų061.1 Ų61.10%033%0.329CS..EExtended strand (participates in β ladder)trans-154.7177.2178.800000112.3I47 K73I47-G87 PolarHBondContact N-O 3.36Å; I47-G87 PolarHBondContact O-N 2.77Å; K73-G87 CarbonylContact O-C 3.57Å; K73-G87 WeakPolarHBondContact O-CA 3.37Å
88F93.8Very high91.3Very high68 Ų6863.7 Ų63.730%0.29834%0.343SS..EExtended strand (participates in β ladder)trans-126.5143.8178.7-64.4-90.5000111L45 Y46 A72 K73 I75 Y86 A114L45-F88 CarbonylContact O-C 3.57Å; L45-F88 WeakPolarHBondContact O-CA 3.43Å; Y46-F88 HydrophobicContact CD2-CD1 4.29Å; Y46-F88 AromaticContact CD2-CE1 3.67Å; Y46-F88 HydrophobicContact CD2-CE1 3.67Å; Y46-F88 HydrophobicContact CD2-CE2 4.42Å; Y46-F88 AromaticContact CD2-CZ 3.75Å; Y46-F88 HydrophobicContact CD2-CZ 3.75Å; Y46-F88 HydrophobicContact CE2-CZ 4.29Å; Y46-F88 HydrophobicContact CG-CE1 4.37Å; A72-F88 CarbonylContact C-O 3.55Å; A72-F88 WeakPolarHBondContact CA-O 3.17Å; K73-F88 PolarHBondContact N-O 3.07Å; K73-F88 PolarHBondContact O-N 2.88Å; I75-F88 HydrophobicContact CD1-CD2 3.96Å; I75-F88 HydrophobicContact CD1-CE2 4.14Å; I75-F88 HydrophobicContact CG1-CD2 3.86Å; I75-F88 HydrophobicContact CG1-CE2 3.81Å; Y86-F88 HydrophobicContact CD2-CE2 4.25Å; Y86-F88 HydrophobicContact CE2-CE2 4.18Å; F88-A114 HydrophobicContact CD1-CB 3.94Å; F88-A114 HydrophobicContact CE1-CB 4.04Å
89V93.4Very high91.6Very high0 Ų060.1 Ų60.10%033%0.327CS..EExtended strand (participates in β ladder)trans-138.5116.8176.6-177.30000109.8N44 L45 I47 L59 C63 I69 S71 A72 F91N44-V89 CarbonylContact C-O 3.55Å; L45-V89 PolarHBondContact N-O 3.2Å; L45-V89 PolarHBondContact O-N 2.93Å; I47-V89 HydrophobicContact CD1-CB 4.34Å; I47-V89 HydrophobicContact CD1-CG2 3.78Å; L59-V89 HydrophobicContact CB-CG2 4.1Å; L59-V89 HydrophobicContact CD2-CG2 4.23Å; C63-V89 HydrophobicContact CB-CG1 4.04Å; I69-V89 HydrophobicContact CD1-CG1 4.08Å; I69-V89 HydrophobicContact CG1-CG1 4.07Å; I69-V89 HydrophobicContact CG2-CG1 4.02Å; S71-V89 CarbonylContact O-C 3.58Å; S71-V89 WeakPolarHBondContact O-CA 3.28Å; A72-V89 HydrophobicContact CB-CG1 4.47Å; A72-V89 HydrophobicContact CB-CG2 4.1Å; V89-F91 HydrophobicContact CG1-CD2 4.22Å; V89-F91 HydrophobicContact CG1-CE2 3.77Å; V89-F91 HydrophobicContact CG1-CZ 4.25Å
90D91.8Very high91.8Very high42 Ų4254.8 Ų54.823%0.22529%0.294CS..EExtended strand (participates in β ladder)trans-99.8125.1176.9-164.544.5000110.3T43 N44 Q70 S71T43-D90 VanDerWaalsContact C-OD1 3.31Å; T43-D90 WeakPolarHBondContact CB-OD1 3.39Å; T43-D90 PolarHBondContact OG1-OD1 2.91Å; N44-D90 WeakPolarHBondContact CA-OD1 3.31Å; N44-D90 HydrophobicContact CB-CB 4.39Å; N44-D90 WeakPolarHBondContact CB-OD1 3.39Å; N44-D90 PolarHBondContact N-OD1 3.23Å; Q70-D90 PolarHBondContact N-O 2.73Å; S71-D90 PolarHBondContact N-O 2.86Å; S71-D90 PolarHBondContact O-N 3.1Å
91F93.6Very high92Very high2 Ų252.1 Ų52.11%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-96156.1178-75.8-94.3000112.4T43 L45 C63 G67 K68 I69 V89 S93 A96 A97 A100T43-F91 VanDerWaalsContact CB-O 3.27Å; T43-F91 WeakPolarHBondContact CB-O 3.27Å; T43-F91 WeakPolarHBondContact CG2-O 3.46Å; T43-F91 PolarHBondContact O-N 3.03Å; L45-F91 HydrophobicContact CD1-CD2 4.26Å; L45-F91 HydrophobicContact CD1-CE2 3.67Å; L45-F91 HydrophobicContact CG-CD2 4.23Å; L45-F91 HydrophobicContact CG-CE2 4.09Å; C63-F91 HydrophobicContact CB-CZ 3.88Å; G67-F91 WeakPolarHBondContact O-CE1 3.27Å; K68-F91 WeakPolarHBondContact O-CA 3.41Å; K68-F91 WeakPolarHBondContact O-CD1 3.05Å; I69-F91 HydrophobicContact CG1-CD1 4.26Å; I69-F91 HydrophobicContact CG1-CE1 3.99Å; I69-F91 HydrophobicContact CG1-CZ 4.4Å; V89-F91 HydrophobicContact CG1-CD2 4.22Å; V89-F91 HydrophobicContact CG1-CE2 3.77Å; V89-F91 HydrophobicContact CG1-CZ 4.25Å; F91-S93 VanDerWaalsContact C-N 3.28Å; F91-S93 PolarHBondContact O-N 3.41Å; F91-A96 HydrophobicContact CB-CB 4.32Å; F91-A96 HydrophobicContact CD1-CB 3.71Å; F91-A96 HydrophobicContact CE1-CB 4.33Å; F91-A96 HydrophobicContact CG-CB 4.22Å; F91-A97 HydrophobicContact CB-CB 4.14Å; F91-A97 HydrophobicContact CD2-CB 3.97Å; F91-A97 HydrophobicContact CG-CB 4.29Å; F91-A100 HydrophobicContact CE1-CB 4.38Å; F91-A100 HydrophobicContact CE2-CB 3.7Å; F91-A100 HydrophobicContact CZ-CB 3.48Å; F91-A100 VanDerWaalsContact CZ-CB 3.48Å
92D91.6Very high92.3Very high80 Ų8053.1 Ų53.143%0.42828%0.279SS..SBendtrans-67.1-30.4173.8-165.3-116.3000112.7K68 Q70K68-D92 HydrophobicContact CB-CB 3.87Å; K68-D92 HydrophobicContact CD-CB 3.86Å; K68-D92 HydrophobicContact CG-CB 3.88Å; K68-D92 IonicContact NZ-OD1 3.86Å; K68-D92 IonicContact NZ-OD2 2.66Å; K68-D92 PolarHBondContact NZ-OD2 2.78Å; K68-D92 WeakPolarHBondContact O-CB 3.25Å; K68-D92 PolarHBondContact O-N 2.9Å; Q70-D92 HydrophobicContact CG-CB 3.9Å; Q70-D92 PolarHBondContact NE2-OD2 2.9Å; Q70-D92 PolarHBondContact OE1-OD2 3.08Å
93S92.7Very high92.5Very high48 Ų4848 Ų4834%0.33626%0.261SS..SBendtrans-127.9136.4-178.1172.90000111.6F91 A95 A96 A97F91-S93 VanDerWaalsContact C-N 3.28Å; F91-S93 PolarHBondContact O-N 3.41Å; S93-A95 PolarHBondContact O-N 3.47Å; S93-A95 PolarHBondContact OG-N 3.31Å; S93-A96 WeakPolarHBondContact O-CB 3.37Å; S93-A96 PolarHBondContact O-N 3.26Å; S93-A96 VanDerWaalsContact O-N 3.15Å; S93-A97 PolarHBondContact O-N 3.46Å
94P92.4Very high92.6Very high64 Ų6447.2 Ų47.242%0.41626%0.256SS..Hα-helixtrans-63.8-27176.327.9-35.9000112.7K42 A97 L98K42-P94 HydrophobicContact CB-CB 4.3Å; K42-P94 VanDerWaalsContact O-CA 3.3Å; K42-P94 WeakPolarHBondContact O-CA 3.44Å; K42-P94 WeakPolarHBondContact O-CB 3.4Å; P94-A97 PolarHBondContact O-N 3.06Å; P94-L98 WeakPolarHBondContact O-CG 3.5Å; P94-L98 PolarHBondContact O-N 3.44Å
95A93.6Very high92.6Very high66 Ų6649.4 Ų49.455%0.54527%0.266SS..Hα-helixtrans-67.1-37.7175.400000111.9S93 K99S93-A95 PolarHBondContact O-N 3.47Å; S93-A95 PolarHBondContact OG-N 3.31Å; A95-K99 WeakPolarHBondContact O-CB 3.5Å; A95-K99 PolarHBondContact O-N 3.03Å; A95-K99 VanDerWaalsContact O-N 3.07Å
96A93.8Very high92.7Very high13 Ų1353.8 Ų53.811%0.10729%0.289CS..Hα-helixtrans-68-40.4174.100000111.5F91 S93 K99 A100F91-A96 HydrophobicContact CB-CB 4.32Å; F91-A96 HydrophobicContact CD1-CB 3.71Å; F91-A96 HydrophobicContact CE1-CB 4.33Å; F91-A96 HydrophobicContact CG-CB 4.22Å; S93-A96 WeakPolarHBondContact O-CB 3.37Å; S93-A96 PolarHBondContact O-N 3.26Å; S93-A96 VanDerWaalsContact O-N 3.15Å; A96-K99 PolarHBondContact O-N 2.85Å; A96-A100 WeakPolarHBondContact O-CB 3.04Å; A96-A100 PolarHBondContact O-N 3.03Å
97A93.3Very high92.4Very high0 Ų054.7 Ų54.70%031%0.305CS..Hα-helixtrans-59.5-47.8175.800000112.1T43 L45 F91 S93 P94 A100 V101 M113T43-A97 WeakPolarHBondContact O-CB 3.41Å; L45-A97 HydrophobicContact CD2-CB 3.9Å; L45-A97 HydrophobicContact CG-CB 4.48Å; F91-A97 HydrophobicContact CB-CB 4.14Å; F91-A97 HydrophobicContact CD2-CB 3.97Å; F91-A97 HydrophobicContact CG-CB 4.29Å; S93-A97 PolarHBondContact O-N 3.46Å; P94-A97 PolarHBondContact O-N 3.06Å; A97-A100 PolarHBondContact O-N 2.82Å; A97-V101 WeakPolarHBondContact O-CG2 3.4Å; A97-V101 PolarHBondContact O-N 2.81Å; A97-M113 HydrophobicContact CB-CE 3.98Å
98L92.3Very high92.1Very high109 Ų10957.9 Ų57.957%0.57134%0.337SS*.Hα-helixtrans-64.6-42.2177.4-69.6170.4000112.5P94 A100 V101 H102 M113P94-L98 WeakPolarHBondContact O-CG 3.5Å; P94-L98 PolarHBondContact O-N 3.44Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.79Å; L98-V101 PolarHBondContact O-N 3.28Å; L98-H102 PolarHBondContact O-N 2.69Å; L98-H102 VanDerWaalsContact O-N 3.14Å; L98-M113 HydrophobicContact CD2-SD 3.92Å
99K93.7Very high91.9Very high121 Ų12156.7 Ų56.753%0.52633%0.334SS..Hα-helixtrans-57.8-45.1173.5-177.7-171.5175.3-165.50111.1Y66 A95 A96 H102 A103Y66-K99 HydrophobicContact CD1-CG 4.45Å; A95-K99 WeakPolarHBondContact O-CB 3.5Å; A95-K99 PolarHBondContact O-N 3.03Å; A95-K99 VanDerWaalsContact O-N 3.07Å; A96-K99 PolarHBondContact O-N 2.85Å; K99-H102 PolarHBondContact O-N 2.69Å; K99-A103 WeakPolarHBondContact O-CB 2.99Å; K99-A103 PolarHBondContact O-N 2.78Å
100A93.8Very high91.8Very high0 Ų062.5 Ų62.50%036%0.361CS..Hα-helixtrans-63.8-46.3178.500000112.5L45 Y66 F91 A96 A97 L98 H102 A103 L104L45-A100 HydrophobicContact CD1-CB 3.77Å; Y66-A100 HydrophobicContact CD2-CB 3.37Å; Y66-A100 HydrophobicContact CE2-CB 4.2Å; Y66-A100 HydrophobicContact CG-CB 3.68Å; F91-A100 HydrophobicContact CE1-CB 4.38Å; F91-A100 HydrophobicContact CE2-CB 3.7Å; F91-A100 HydrophobicContact CZ-CB 3.48Å; F91-A100 VanDerWaalsContact CZ-CB 3.48Å; A96-A100 WeakPolarHBondContact O-CB 3.04Å; A96-A100 PolarHBondContact O-N 3.03Å; A97-A100 PolarHBondContact O-N 2.82Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.79Å; A100-H102 VanDerWaalsContact C-N 3.33Å; A100-H102 PolarHBondContact O-N 2.89Å; A100-A103 PolarHBondContact O-N 2.8Å; A100-L104 HydrophobicContact CB-CD1 4.5Å; A100-L104 VanDerWaalsContact O-CB 3.23Å; A100-L104 WeakPolarHBondContact O-CB 3.4Å; A100-L104 WeakPolarHBondContact O-CD1 3.46Å; A100-L104 WeakPolarHBondContact O-CG 3.4Å; A100-L104 PolarHBondContact O-N 3.28Å
101V93.6Very high91.8Very high26 Ų2660.9 Ų60.916%0.15835%0.354CS..Hα-helixtrans-55.4-48.6175.6168.90000111.4L45 A97 L98 K105 M113L45-V101 HydrophobicContact CD1-CG2 3.7Å; L45-V101 HydrophobicContact CD2-CG2 3.36Å; L45-V101 HydrophobicContact CG-CG2 4.1Å; A97-V101 WeakPolarHBondContact O-CG2 3.4Å; A97-V101 PolarHBondContact O-N 2.81Å; L98-V101 PolarHBondContact O-N 3.28Å; V101-K105 VanDerWaalsContact O-CB 3.24Å; V101-K105 WeakPolarHBondContact O-CB 3.45Å; V101-K105 PolarHBondContact O-N 2.82Å; V101-K105 VanDerWaalsContact O-N 3.1Å; V101-M113 HydrophobicContact CG2-SD 3.77Å
102H92.3Very high91.7Very high138 Ų13865.5 Ų65.564%0.63938%0.375SS*.Hα-helixtrans-64-49.4-177.2-171.4-146.4000111.4L98 K99 A100 K105 T106L98-H102 PolarHBondContact O-N 2.69Å; L98-H102 VanDerWaalsContact O-N 3.14Å; K99-H102 PolarHBondContact O-N 2.69Å; A100-H102 VanDerWaalsContact C-N 3.33Å; A100-H102 PolarHBondContact O-N 2.89Å; H102-K105 PolarHBondContact O-N 3.22Å; H102-T106 PolarHBondContact O-N 3.07Å; H102-T106 PolarHBondContact O-OG1 2.92Å; H102-T106 VanDerWaalsContact O-OG1 3.09Å
103A92.6Very high91.7Very high28 Ų2863 Ų6323%0.23136%0.361CS..Hα-helixtrans-67.4-43.2-178.100000113.2Y66 K99 A100 K105 T106 S107Y66-A103 HydrophobicContact CD1-CB 4.05Å; Y66-A103 HydrophobicContact CE1-CB 3.22Å; Y66-A103 HydrophobicContact CE2-CB 4.48Å; Y66-A103 VanDerWaalsContact CZ-CB 3.49Å; K99-A103 WeakPolarHBondContact O-CB 2.99Å; K99-A103 PolarHBondContact O-N 2.78Å; A100-A103 PolarHBondContact O-N 2.8Å; A103-K105 VanDerWaalsContact C-N 3.3Å; A103-K105 PolarHBondContact O-N 3.13Å; A103-T106 WeakPolarHBondContact O-CB 3.41Å; A103-T106 PolarHBondContact O-N 3.48Å; A103-S107 PolarHBondContact O-N 2.77Å; A103-S107 PolarHBondContact O-OG 2.89Å
104L91.3Very high91.5Very high0 Ų060.8 Ų60.80%035%0.346CS..Hα-helixtrans-59.7-41.3175.7-72.2170.1000111.6I47 L62 Y66 A100 S107 G108 I109 A111I47-L104 HydrophobicContact CD1-CD1 3.82Å; I47-L104 HydrophobicContact CG1-CD1 4.44Å; L62-L104 HydrophobicContact CD1-CD2 3.96Å; L62-L104 HydrophobicContact CD2-CD2 3.85Å; L62-L104 HydrophobicContact CG-CD2 3.76Å; Y66-L104 HydrophobicContact CE2-CD1 4.36Å; Y66-L104 HydrophobicContact CE2-CD2 3.86Å; Y66-L104 HydrophobicContact CE2-CG 3.72Å; A100-L104 HydrophobicContact CB-CD1 4.5Å; A100-L104 VanDerWaalsContact O-CB 3.23Å; A100-L104 WeakPolarHBondContact O-CB 3.4Å; A100-L104 WeakPolarHBondContact O-CD1 3.46Å; A100-L104 WeakPolarHBondContact O-CG 3.4Å; A100-L104 PolarHBondContact O-N 3.28Å; L104-S107 CarbonylContact O-C 3.54Å; L104-S107 WeakPolarHBondContact O-CA 3.31Å; L104-S107 PolarHBondContact O-N 3.31Å; L104-S107 VanDerWaalsContact O-N 3.15Å; L104-G108 PolarHBondContact O-N 2.98Å; L104-I109 CarbonylContact C-O 3.5Å; L104-I109 HydrophobicContact CB-CB 4.38Å; L104-I109 HydrophobicContact CD2-CD1 4.15Å; L104-I109 WeakPolarHBondContact O-CB 3.44Å; L104-I109 PolarHBondContact O-N 3.04Å; L104-A111 HydrophobicContact CB-CB 3.57Å; L104-A111 HydrophobicContact CD1-CB 3.69Å; L104-A111 HydrophobicContact CG-CB 4.28Å
105K91.1Very high91.1Very high150 Ų15063.4 Ų63.465%0.65235%0.351SS*.Hα-helixtrans-64.9-38.4176.4-171.3176179.8-178.30112V101 H102 A103 S107 G108 I109V101-K105 VanDerWaalsContact O-CB 3.24Å; V101-K105 WeakPolarHBondContact O-CB 3.45Å; V101-K105 PolarHBondContact O-N 2.82Å; V101-K105 VanDerWaalsContact O-N 3.1Å; H102-K105 PolarHBondContact O-N 3.22Å; A103-K105 VanDerWaalsContact C-N 3.3Å; A103-K105 PolarHBondContact O-N 3.13Å; K105-S107 VanDerWaalsContact C-N 3.33Å; K105-G108 PolarHBondContact O-N 3.27Å; K105-I109 WeakPolarHBondContact CA-O 3.26Å
106T90.6Very high90.3Very high111 Ų11164.9 Ų64.968%0.68135%0.346SS*.Hα-helixtrans-65.2-35171.1-56.30000112.2H102 A103 G108H102-T106 PolarHBondContact O-N 3.07Å; H102-T106 PolarHBondContact O-OG1 2.92Å; H102-T106 VanDerWaalsContact O-OG1 3.09Å; A103-T106 WeakPolarHBondContact O-CB 3.41Å; A103-T106 PolarHBondContact O-N 3.48Å; T106-G108 PolarHBondContact O-N 2.85Å
107S87.1Confident89.1Confident82 Ų8271.4 Ų71.457%0.57337%0.374SS*.THydrogen-bonded Turntrans-7610.7171.9-57.70000114.4A103 L104 K105 I109A103-S107 PolarHBondContact O-N 2.77Å; A103-S107 PolarHBondContact O-OG 2.89Å; L104-S107 CarbonylContact O-C 3.54Å; L104-S107 WeakPolarHBondContact O-CA 3.31Å; L104-S107 PolarHBondContact O-N 3.31Å; L104-S107 VanDerWaalsContact O-N 3.15Å; K105-S107 VanDerWaalsContact C-N 3.33Å; S107-I109 VanDerWaalsContact C-N 3.3Å; S107-I109 PolarHBondContact O-N 2.89Å
108G86.6Confident87.8Confident67 Ų6777 Ų7769%0.69140%0.401SS*.THydrogen-bonded Turntrans78.63.5177.800000115.5L104 K105 T106L104-G108 PolarHBondContact O-N 2.98Å; K105-G108 PolarHBondContact O-N 3.27Å; T106-G108 PolarHBondContact O-N 2.85Å
109I88.8Confident86.6Confident44 Ų4475.9 Ų75.923%0.22639%0.393CS..  trans-90.7132.6-179.7-58.2179000109.3I47 L62 L104 K105 S107 A111I47-I109 HydrophobicContact CG2-CG2 3.52Å; L62-I109 HydrophobicContact CD1-CD1 4.03Å; L62-I109 HydrophobicContact CD2-CD1 3.8Å; L104-I109 CarbonylContact C-O 3.5Å; L104-I109 HydrophobicContact CB-CB 4.38Å; L104-I109 HydrophobicContact CD2-CD1 4.15Å; L104-I109 WeakPolarHBondContact O-CB 3.44Å; L104-I109 PolarHBondContact O-N 3.04Å; K105-I109 WeakPolarHBondContact CA-O 3.26Å; S107-I109 VanDerWaalsContact C-N 3.3Å; S107-I109 PolarHBondContact O-N 2.89Å; I109-A111 VanDerWaalsContact C-N 3.29Å; I109-A111 PolarHBondContact O-N 3.1Å
110Q90.9Very high85.6Confident122 Ų12271.2 Ų71.257%0.5737%0.373SS*.EExtended strand (participates in β ladder)trans-78.577-176.4-61.3-179.7-1.600111.3I47 R48I47-Q110 WeakPolarHBondContact CA-O 3.19Å; R48-Q110 HydrophobicContact CB-CB 4.07Å; R48-Q110 PolarHBondContact N-O 2.85Å; R48-Q110 WeakPolarHBondContact O-CB 3.4Å; R48-Q110 PolarHBondContact O-N 2.98Å
111A92.4Very high85Confident8 Ų875.1 Ų75.17%0.06640%0.399CS..EExtended strand (participates in β ladder)trans-96143.2173.500000112.2Y46 I47 L104 I109Y46-A111 WeakPolarHBondContact O-CA 3.19Å; I47-A111 HydrophobicContact CG1-CB 4.25Å; L104-A111 HydrophobicContact CB-CB 3.57Å; L104-A111 HydrophobicContact CD1-CB 3.69Å; L104-A111 HydrophobicContact CG-CB 4.28Å; I109-A111 VanDerWaalsContact C-N 3.29Å; I109-A111 PolarHBondContact O-N 3.1Å
112Q92.1Very high84.9Confident99 Ų9974.5 Ų74.546%0.46340%0.395SS..EExtended strand (participates in β ladder)trans-153.8168.6172.756169.69700109.9L45 Y46 A114L45-Q112 CarbonylContact C-O 3.5Å; L45-Q112 VanDerWaalsContact CA-O 3.31Å; L45-Q112 WeakPolarHBondContact CA-O 3.36Å; Y46-Q112 HydrophobicContact CD1-CG 3.89Å; Y46-Q112 PolarHBondContact N-O 3.37Å; Y46-Q112 PolarHBondContact O-N 2.96Å; Q112-A114 PolarHBondContact O-N 3.1Å
113M92Very high84.9Confident27 Ų2769.5 Ų69.513%0.13337%0.373CS..EExtended strand (participates in β ladder)trans-62.3135.5166.8-51.3-49.6-6500109.4L40 S41 K42 L45 A97 L98 V101L40-M113 HydrophobicContact CB-CB 4.13Å; L40-M113 HydrophobicContact CD1-CB 4.34Å; S41-M113 WeakPolarHBondContact O-CE 3.36Å; K42-M113 WeakPolarHBondContact O-CE 3.31Å; L45-M113 HydrophobicContact CD2-CE 3.64Å; L45-M113 HydrophobicContact CD2-SD 3.45Å; L45-M113 WeakPolarHBondContact CD2-SD 3.48Å; A97-M113 HydrophobicContact CB-CE 3.98Å; L98-M113 HydrophobicContact CD2-SD 3.92Å; V101-M113 HydrophobicContact CG2-SD 3.77Å
114A88.1Confident84.9Confident2 Ų268.2 Ų68.22%0.01736%0.362CS..EExtended strand (participates in β ladder)trans-72.1142.8173.600000110S41 N44 F88 Q112 Q116S41-A114 VanDerWaalsContact CB-O 3.26Å; S41-A114 WeakPolarHBondContact CB-O 3.26Å; S41-A114 PolarHBondContact N-O 2.84Å; S41-A114 PolarHBondContact OG-O 3.37Å; N44-A114 HydrophobicContact CB-CB 4.22Å; N44-A114 WeakPolarHBondContact O-CB 3.23Å; N44-A114 PolarHBondContact O-N 2.9Å; F88-A114 HydrophobicContact CD1-CB 3.94Å; F88-A114 HydrophobicContact CE1-CB 4.04Å; Q112-A114 PolarHBondContact O-N 3.1Å; A114-Q116 PolarHBondContact O-N 2.87Å
115K84.2Confident85.1Confident119 Ų11971.3 Ų71.352%0.51737%0.374SS..EExtended strand (participates in β ladder)trans-55.4125164.7-59.3-174.6-178.5-166.40108.1E38 L40 Q117E38-K115 WeakPolarHBondContact OE1-CD 3.44Å; E38-K115 WeakPolarHBondContact OE1-CE 3.48Å; E38-K115 IonicContact OE1-NZ 2.89Å; E38-K115 PolarHBondContact OE1-NZ 3.24Å; E38-K115 WeakPolarHBondContact OE2-CE 3.49Å; E38-K115 IonicContact OE2-NZ 3.83Å; E38-K115 PolarHBondContact OE2-NZ 3.31Å; L40-K115 HydrophobicContact CD2-CG 4.27Å; K115-Q117 PolarHBondContact O-N 2.83Å; K115-Q117 VanDerWaalsContact O-N 3.14Å
116Q75.5Confident85.2Confident96 Ų9664.5 Ų64.545%0.44935%0.345SS..  trans-66.2115.3173.6-168178.2-64.700106.4Q39 S41 A114 E118Q39-Q116 HydrophobicContact CB-CB 4.41Å; Q39-Q116 HydrophobicContact CG-CB 4.17Å; Q39-Q116 WeakPolarHBondContact O-CA 3.32Å; Q39-Q116 WeakPolarHBondContact O-CB 3.07Å; Q39-Q116 PolarHBondContact O-N 3.3Å; S41-Q116 VanDerWaalsContact OG-CA 3.22Å; S41-Q116 WeakPolarHBondContact OG-CA 3.32Å; S41-Q116 PolarHBondContact OG-N 3.45Å; A114-Q116 PolarHBondContact O-N 2.87Å; Q116-E118 PolarHBondContact O-N 3.2Å; Q116-E118 VanDerWaalsContact O-N 3.07Å
117Q69.2Low85.2Confident150 Ų15059.6 Ų59.670%0.70132%0.315SS*.  trans-64.7115.5170.2-175.7147.932.400107.1K115 Q119K115-Q117 PolarHBondContact O-N 2.83Å; K115-Q117 VanDerWaalsContact O-N 3.14Å; Q117-Q119 PolarHBondContact O-N 3.14Å; Q117-Q119 VanDerWaalsContact O-N 3.13Å
118E66.9Low85.4Confident118 Ų11857.8 Ų57.855%0.55130%0.299SS*.  trans-53.2121.5174.1-158.2-175.8173.900107.4Q116 D120 R168Q116-E118 PolarHBondContact O-N 3.2Å; Q116-E118 VanDerWaalsContact O-N 3.07Å; E118-D120 VanDerWaalsContact CD-OD1 3.22Å; E118-D120 VanDerWaalsContact CG-OD1 3.28Å; E118-D120 WeakPolarHBondContact CG-OD1 3.33Å; E118-D120 PolarHBondContact O-N 2.93Å; E118-R168 IonicContact OE1-CZ 3.72Å; E118-R168 IonicContact OE1-NH1 3.48Å; E118-R168 PolarHBondContact OE1-NH1 2.77Å; E118-R168 IonicContact OE1-NH2 3.31Å; E118-R168 PolarHBondContact OE1-NH2 2.94Å; E118-R168 IonicContact OE2-CZ 2.69Å; E118-R168 IonicContact OE2-NH1 3.51Å; E118-R168 PolarHBondContact OE2-NH1 3.25Å; E118-R168 IonicContact OE2-NH2 3.39Å
119Q66.3Low85.6Confident86 Ų8654.9 Ų54.940%0.40227%0.268SS..  trans-87.8106.8167-73.9-165.9-8100105.9Q117 P121Q117-Q119 PolarHBondContact O-N 3.14Å; Q117-Q119 VanDerWaalsContact O-N 3.13Å; Q119-P121 WeakPolarHBondContact O-CD 3.37Å
120D71.8Confident85.5Confident23 Ų2353.2 Ų53.212%0.12326%0.26CS..  trans-82.9103.1177-64.1-8000107.6E118 T122 N123 R168 S207E118-D120 VanDerWaalsContact CD-OD1 3.22Å; E118-D120 VanDerWaalsContact CG-OD1 3.28Å; E118-D120 WeakPolarHBondContact CG-OD1 3.33Å; E118-D120 PolarHBondContact O-N 2.93Å; D120-T122 PolarHBondContact O-N 2.66Å; D120-N123 HydrophobicContact CB-CB 3.56Å; D120-N123 PolarHBondContact O-N 3.41Å; D120-R168 VanDerWaalsContact CG-CZ 3.45Å; D120-R168 IonicContact OD1-CZ 2.71Å; D120-R168 VanDerWaalsContact OD1-CZ 3.31Å; D120-R168 IonicContact OD1-NE 2.69Å; D120-R168 IonicContact OD1-NH1 3.87Å; D120-R168 PolarHBondContact OD1-NH1 2.78Å; D120-R168 IonicContact OD1-NH2 3.51Å; D120-R168 WeakPolarHBondContact OD2-CD 3.48Å; D120-R168 IonicContact OD2-CZ 3.91Å; D120-R168 IonicContact OD2-NE 3.74Å; D120-R168 IonicContact OD2-NH1 3.73Å; D120-R168 PolarHBondContact OD2-NH1 3.18Å; D120-S207 PolarHBondContact N-OG 3.3Å; D120-S207 PolarHBondContact O-OG 2.67Å
121P81.9Confident85.3Confident82 Ų8253.5 Ų53.553%0.53227%0.265SS..THydrogen-bonded Turntrans-66.6-18.7174.430.8-36.2000111.2Q119 F204Q119-P121 WeakPolarHBondContact O-CD 3.37Å; P121-F204 VanDerWaalsContact O-CD1 3.25Å; P121-F204 WeakPolarHBondContact O-CD1 3.19Å; P121-F204 VanDerWaalsContact O-CE1 3.27Å; P121-F204 WeakPolarHBondContact O-CE1 3.4Å
122T90.4Very high85Confident13 Ų1356 Ų568%0.0828%0.282CS..THydrogen-bonded Turntrans-94.310.6-179.870.10000113.8D120 R168 M169 C175D120-T122 PolarHBondContact O-N 2.66Å; T122-R168 WeakPolarHBondContact O-CA 3.44Å; T122-R168 WeakPolarHBondContact OG1-CG 3.49Å; T122-M169 WeakPolarHBondContact CB-O 3.45Å; T122-M169 PolarHBondContact O-N 2.85Å; T122-M169 PolarHBondContact OG1-O 2.8Å; T122-C175 WeakPolarHBondContact CA-SG 3.04Å; T122-C175 PolarHBondContact O-SG 2.97Å
123N92.7Very high84.7Confident33 Ų3351.4 Ų51.418%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-91.6129.1178-168.6-17.8000111D120 A205D120-N123 HydrophobicContact CB-CB 3.56Å; D120-N123 PolarHBondContact O-N 3.41Å; N123-A205 HydrophobicContact CB-CB 4.22Å; N123-A205 WeakPolarHBondContact O-CB 3.22Å; N123-A205 PolarHBondContact O-N 2.89Å
124L93.6Very high84.7Confident0 Ų053.1 Ų53.10%027%0.27CS..EExtended strand (participates in β ladder)trans-107.1139.3-178.3-66175.1000110.9I126 F166 A167 M169 C175 V178 I179 K203L124-I126 HydrophobicContact CB-CD1 4.48Å; L124-I126 HydrophobicContact CB-CG1 4.29Å; L124-F166 VanDerWaalsContact O-CA 3.27Å; L124-F166 WeakPolarHBondContact O-CA 3.3Å; L124-A167 WeakPolarHBondContact CB-O 3.44Å; L124-A167 PolarHBondContact N-O 3.3Å; L124-A167 PolarHBondContact O-N 3.11Å; L124-A167 VanDerWaalsContact O-N 3.08Å; L124-M169 HydrophobicContact CD1-CG 3.97Å; L124-M169 HydrophobicContact CD1-SD 4.49Å; L124-C175 HydrophobicContact CD2-CB 3.71Å; L124-C175 HydrophobicContact CG-CB 4.21Å; L124-V178 HydrophobicContact CD1-CB 3.85Å; L124-V178 HydrophobicContact CD1-CG1 3.52Å; L124-V178 HydrophobicContact CD1-CG2 4.33Å; L124-I179 HydrophobicContact CD2-CD1 3.64Å; L124-I179 HydrophobicContact CD2-CG1 3.72Å; L124-K203 CarbonylContact C-O 3.52Å; L124-K203 WeakPolarHBondContact CA-O 3.17Å
125Y94Very high84.9Confident66 Ų6655.5 Ų55.526%0.25928%0.281SS..EExtended strand (participates in β ladder)trans-100.1125.9163.7174.2-87.1000108.7S127 V164 F166 L201 K203Y125-S127 WeakPolarHBondContact OH-CB 3.5Å; Y125-V164 HydrophobicContact CD2-CG1 4.25Å; Y125-V164 HydrophobicContact CE2-CG1 3.5Å; Y125-F166 AromaticContact CD2-CE1 3.8Å; Y125-F166 HydrophobicContact CD2-CE1 3.8Å; Y125-F166 HydrophobicContact CD2-CE2 4.42Å; Y125-F166 AromaticContact CD2-CZ 3.74Å; Y125-F166 HydrophobicContact CD2-CZ 3.74Å; Y125-F166 HydrophobicContact CE2-CZ 4.25Å; Y125-L201 HydrophobicContact CE1-CD2 4.41Å; Y125-K203 HydrophobicContact CD1-CD 4.2Å; Y125-K203 HydrophobicContact CD1-CG 4Å; Y125-K203 HydrophobicContact CG-CG 4.49Å; Y125-K203 PolarHBondContact N-O 3.22Å; Y125-K203 PolarHBondContact O-N 3.4Å
126I93.3Very high85.3Confident6 Ų659.2 Ų59.23%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-126.9115.3-178-52175.9000107.4L124 L129 L138 L142 V164 G165 A167 L200 L201L124-I126 HydrophobicContact CB-CD1 4.48Å; L124-I126 HydrophobicContact CB-CG1 4.29Å; I126-L129 HydrophobicContact CB-CD1 4.49Å; I126-L129 HydrophobicContact CG2-CD1 4.2Å; I126-L129 HydrophobicContact CG2-CD2 3.89Å; I126-L129 HydrophobicContact CG2-CG 4.01Å; I126-L138 HydrophobicContact CD1-CD1 3.97Å; I126-L142 HydrophobicContact CD1-CD1 4.04Å; I126-L142 HydrophobicContact CD1-CD2 4.26Å; I126-V164 CarbonylContact O-C 3.5Å; I126-V164 WeakPolarHBondContact O-CA 3.33Å; I126-G165 PolarHBondContact N-O 2.87Å; I126-G165 PolarHBondContact O-N 2.84Å; I126-A167 HydrophobicContact CD1-CB 4.27Å; I126-L200 HydrophobicContact CG2-CD2 4.38Å; I126-L201 CarbonylContact C-O 3.52Å; I126-L201 WeakPolarHBondContact CA-O 3.4Å
127S92.1Very high86Confident8 Ų858.3 Ų58.36%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-124.3169.1175.376.10000112.9Y125 L129 G163 L200 L201Y125-S127 WeakPolarHBondContact OH-CB 3.5Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-G163 CarbonylContact C-O 3.57Å; S127-G163 WeakPolarHBondContact CA-O 3.41Å; S127-L200 WeakPolarHBondContact O-CA 3.25Å; S127-L201 PolarHBondContact N-O 3.05Å; S127-L201 PolarHBondContact O-N 3.24Å
128N90.7Very high87.1Confident45 Ų4551.3 Ų51.324%0.24126%0.255CS..SBendtrans66.931.1-169.1-51.3-5.9000111.8G163 P196 Q198 P199N128-G163 PolarHBondContact N-O 2.96Å; N128-P196 WeakPolarHBondContact O-CG 3.31Å; N128-Q198 HydrophobicContact CB-CB 4.42Å; N128-Q198 VanDerWaalsContact ND2-CB 3.31Å; N128-Q198 WeakPolarHBondContact ND2-CB 3.45Å; N128-Q198 PolarHBondContact ND2-OE1 3.19Å; N128-Q198 VanDerWaalsContact ND2-OE1 3.1Å; N128-P199 WeakPolarHBondContact CB-O 3.44Å; N128-P199 PolarHBondContact ND2-O 2.81Å
129L89.9Confident88.4Confident6 Ų649.2 Ų49.23%0.03125%0.245CC..  trans-68.4144167.4-68.8168.3000109.8I126 S127 V133 L138 I153 G163 I187 L200I126-L129 HydrophobicContact CB-CD1 4.49Å; I126-L129 HydrophobicContact CG2-CD1 4.2Å; I126-L129 HydrophobicContact CG2-CD2 3.89Å; I126-L129 HydrophobicContact CG2-CG 4.01Å; S127-L129 VanDerWaalsContact C-N 3.28Å; L129-V133 HydrophobicContact CD2-CG1 4.49Å; L129-L138 HydrophobicContact CD1-CD1 4.31Å; L129-L138 HydrophobicContact CD1-CD2 4.26Å; L129-L138 HydrophobicContact CD2-CD1 4.11Å; L129-I153 HydrophobicContact CD1-CD1 3.98Å; L129-G163 PolarHBondContact N-O 2.89Å; L129-G163 WeakPolarHBondContact O-CA 3.13Å; L129-I187 HydrophobicContact CD2-CD1 3.9Å; L129-L200 HydrophobicContact CD2-CD2 3.88Å; L129-L200 HydrophobicContact CG-CD2 4.38Å
130P87Confident89.6Confident9 Ų952.4 Ų52.46%0.05826%0.257CS..  trans-56.3145.6168.2-18.226.4000111.4S132 V133 I187 P196P130-S132 PolarHBondContact O-N 2.98Å; P130-S132 VanDerWaalsContact O-N 3.1Å; P130-V133 HydrophobicContact CB-CG2 4.04Å; P130-V133 HydrophobicContact CG-CG2 3.89Å; P130-V133 PolarHBondContact O-N 3.44Å; P130-I187 HydrophobicContact CG-CB 4.38Å; P130-I187 HydrophobicContact CG-CD1 4.46Å; P130-P196 HydrophobicContact CG-CG 4.29Å
131L87.2Confident90.4Very high128 Ų12853.3 Ų53.367%0.6726%0.261SS*.THydrogen-bonded Turntrans-66.4-14.1-177.5-53.5-178.7000114S161L131-S161 VanDerWaalsContact O-CB 3.31Å; L131-S161 WeakPolarHBondContact O-CB 3.23Å
132S85.3Confident90.8Very high61 Ų6149.5 Ų49.543%0.42724%0.237SC..THydrogen-bonded Turntrans-85.5-13.2175.260.20000114.5P130 D134 L189P130-S132 PolarHBondContact O-N 2.98Å; P130-S132 VanDerWaalsContact O-N 3.1Å; S132-D134 PolarHBondContact O-N 2.83Å; S132-L189 VanDerWaalsContact OG-CD1 3.3Å; S132-L189 WeakPolarHBondContact OG-CD1 3.2Å; S132-L189 WeakPolarHBondContact OG-CD2 3.28Å
133V87.1Confident90.9Very high2 Ų253.8 Ų53.81%0.01226%0.255CS..  trans-77.8110.7-176.91740000109.9L129 P130 E137 L138L129-V133 HydrophobicContact CD2-CG1 4.49Å; P130-V133 HydrophobicContact CB-CG2 4.04Å; P130-V133 HydrophobicContact CG-CG2 3.89Å; P130-V133 PolarHBondContact O-N 3.44Å; V133-E137 HydrophobicContact CG1-CB 4.27Å; V133-E137 HydrophobicContact CG1-CG 4.49Å; V133-L138 HydrophobicContact CG1-CB 4.12Å
134D91.4Very high90.8Very high63 Ų6357 Ų5734%0.33728%0.278SS..  trans-84.9166.5170-76.2-31.5000112.1S132 R136 E137 L138 R155S132-D134 PolarHBondContact O-N 2.83Å; D134-R136 PolarHBondContact O-N 3.38Å; D134-R136 VanDerWaalsContact O-N 3.11Å; D134-E137 PolarHBondContact O-N 3.07Å; D134-L138 PolarHBondContact O-N 3.4Å; D134-R155 IonicContact OD1-CZ 3.62Å; D134-R155 IonicContact OD1-NH1 2.69Å; D134-R155 PolarHBondContact OD1-NH1 2.85Å; D134-R155 IonicContact OD1-NH2 3.83Å; D134-R155 PolarHBondContact OD1-NH2 2.86Å
135E93.2Very high90.7Very high51 Ų5159.4 Ų59.424%0.23829%0.289CS..Hα-helixtrans-46.9-40.3176.7-75.579.8-178.100113.9E139 T151 I153 R155E135-E139 WeakPolarHBondContact O-CB 3.42Å; E135-E139 PolarHBondContact O-N 3.02Å; E135-T151 WeakPolarHBondContact CB-OG1 3.42Å; E135-T151 PolarHBondContact O-OG1 2.79Å; E135-I153 HydrophobicContact CG-CG1 4.06Å; E135-I153 WeakPolarHBondContact OE1-CA 3.44Å; E135-I153 VanDerWaalsContact OE1-CB 3.31Å; E135-I153 WeakPolarHBondContact OE1-CB 3.21Å; E135-I153 PolarHBondContact OE1-N 2.89Å; E135-R155 IonicContact OE1-NE 3.03Å; E135-R155 IonicContact OE1-NH2 3.41Å; E135-R155 IonicContact OE2-CZ 2.9Å; E135-R155 IonicContact OE2-NE 4Å; E135-R155 IonicContact OE2-NH2 3.74Å; E135-R155 PolarHBondContact OE2-NH2 3.38Å
136R92.3Very high90.5Very high198 Ų19857.5 Ų57.575%0.74729%0.289SS*.Hα-helixtrans-71.8-35-179.7-65.1-178.8-66.6177.2-0.4113.4D134 K140D134-R136 PolarHBondContact O-N 3.38Å; D134-R136 VanDerWaalsContact O-N 3.11Å; R136-K140 WeakPolarHBondContact O-CB 3.5Å; R136-K140 PolarHBondContact O-N 3.15Å; R136-K140 VanDerWaalsContact O-N 3.13Å
137E90.6Very high90.6Very high77 Ų7763.1 Ų63.136%0.3632%0.315SS..Hα-helixtrans-76.3-38.4177-174.7164.6-133.200110.1V133 D134 E139 K140 M141V133-E137 HydrophobicContact CG1-CB 4.27Å; V133-E137 HydrophobicContact CG1-CG 4.49Å; D134-E137 PolarHBondContact O-N 3.07Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-E139 PolarHBondContact O-N 2.97Å; E137-K140 PolarHBondContact O-N 3.35Å; E137-M141 WeakPolarHBondContact O-CG 3.37Å; E137-M141 PolarHBondContact O-N 3.45Å
138L91.7Very high90.7Very high3 Ų363.1 Ų63.12%0.01632%0.315CS..Hα-helixtrans-59.3-43.4170.6-175.960.1000111.9I126 L129 V133 D134 M141 L142 T151 I153I126-L138 HydrophobicContact CD1-CD1 3.97Å; L129-L138 HydrophobicContact CD1-CD1 4.31Å; L129-L138 HydrophobicContact CD1-CD2 4.26Å; L129-L138 HydrophobicContact CD2-CD1 4.11Å; V133-L138 HydrophobicContact CG1-CB 4.12Å; D134-L138 PolarHBondContact O-N 3.4Å; L138-M141 PolarHBondContact O-N 3.28Å; L138-L142 HydrophobicContact CD1-CD1 4.18Å; L138-L142 HydrophobicContact CD1-CG 4.46Å; L138-L142 HydrophobicContact CG-CD1 4.11Å; L138-L142 VanDerWaalsContact O-CG 3.26Å; L138-L142 WeakPolarHBondContact O-CG 3.27Å; L138-L142 PolarHBondContact O-N 3.36Å; L138-T151 HydrophobicContact CD2-CG2 4.47Å; L138-T151 HydrophobicContact CG-CG2 4.31Å; L138-I153 HydrophobicContact CB-CD1 4.41Å; L138-I153 HydrophobicContact CD2-CD1 3.78Å
139E93.2Very high90.7Very high73 Ų7364.6 Ų64.634%0.34133%0.326SS..Hα-helixtrans-59.9-50175.5-175-177.993.900111.6E135 E137 M141 L142 Q143 V148 T151E135-E139 WeakPolarHBondContact O-CB 3.42Å; E135-E139 PolarHBondContact O-N 3.02Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-E139 PolarHBondContact O-N 2.97Å; E139-M141 PolarHBondContact O-N 3.3Å; E139-L142 PolarHBondContact O-N 3.02Å; E139-Q143 HydrophobicContact CG-CG 4.43Å; E139-Q143 WeakPolarHBondContact O-CG 3.22Å; E139-Q143 PolarHBondContact O-N 2.77Å; E139-Q143 PolarHBondContact OE1-NE2 3.24Å; E139-V148 HydrophobicContact CG-CB 4.03Å; E139-V148 HydrophobicContact CG-CG1 4.13Å; E139-V148 HydrophobicContact CG-CG2 4.18Å; E139-T151 HydrophobicContact CB-CG2 3.86Å; E139-T151 HydrophobicContact CG-CG2 4.5Å
140K91.5Very high90.8Very high154 Ų15467.2 Ų67.267%0.6734%0.344SS*.Hα-helixtrans-59.5-32.2178.1-172.8-179.9178.9-176.50113.1R136 E137 L142 P144R136-K140 WeakPolarHBondContact O-CB 3.5Å; R136-K140 PolarHBondContact O-N 3.15Å; R136-K140 VanDerWaalsContact O-N 3.13Å; E137-K140 PolarHBondContact O-N 3.35Å; K140-L142 VanDerWaalsContact C-N 3.32Å; K140-P144 WeakPolarHBondContact O-CD 3.49Å
141M88.5Confident91.2Very high42 Ų4268 Ų6821%0.20735%0.349CS..Hα-helixtrans-70.6-26173.6-73.7-175.566.400113.5E137 L138 E139 F182 I187E137-M141 WeakPolarHBondContact O-CG 3.37Å; E137-M141 PolarHBondContact O-N 3.45Å; L138-M141 PolarHBondContact O-N 3.28Å; E139-M141 PolarHBondContact O-N 3.3Å; M141-F182 HydrophobicContact CB-CZ 4.29Å; M141-F182 HydrophobicContact CE-CD1 4.25Å; M141-F182 HydrophobicContact CE-CE1 3.5Å; M141-F182 VanDerWaalsContact CE-CE1 3.5Å; M141-F182 HydrophobicContact CE-CZ 4.03Å; M141-F182 VanDerWaalsContact O-CZ 3.32Å; M141-F182 WeakPolarHBondContact O-CZ 3.5Å; M141-I187 HydrophobicContact CE-CD1 3.46Å; M141-I187 VanDerWaalsContact CE-CD1 3.46Å; M141-I187 HydrophobicContact CE-CG1 3.74Å; M141-I187 HydrophobicContact CE-CG2 4.24Å; M141-I187 HydrophobicContact SD-CD1 3.96Å
142L91.3Very high91.5Very high2 Ų270 Ų701%0.0135%0.347CS..Hα-helixtrans-96.7-29.2-175.6-65.9176.5000113.5I126 L138 E139 K140 P144 F145 V148 A167 M169 V178 F182I126-L142 HydrophobicContact CD1-CD1 4.04Å; I126-L142 HydrophobicContact CD1-CD2 4.26Å; L138-L142 HydrophobicContact CD1-CD1 4.18Å; L138-L142 HydrophobicContact CD1-CG 4.46Å; L138-L142 HydrophobicContact CG-CD1 4.11Å; L138-L142 VanDerWaalsContact O-CG 3.26Å; L138-L142 WeakPolarHBondContact O-CG 3.27Å; L138-L142 PolarHBondContact O-N 3.36Å; E139-L142 PolarHBondContact O-N 3.02Å; K140-L142 VanDerWaalsContact C-N 3.32Å; L142-P144 VanDerWaalsContact C-CD 3.41Å; L142-P144 VanDerWaalsContact C-N 3.34Å; L142-F145 PolarHBondContact O-N 3.19Å; L142-V148 HydrophobicContact CB-CG2 3.61Å; L142-A167 HydrophobicContact CD1-CB 3.33Å; L142-M169 HydrophobicContact CB-SD 4.31Å; L142-M169 HydrophobicContact CD1-SD 4.46Å; L142-V178 HydrophobicContact CD2-CB 4.26Å; L142-V178 HydrophobicContact CD2-CG1 3.31Å; L142-V178 HydrophobicContact CD2-CG2 3.83Å; L142-F182 HydrophobicContact CD2-CD2 4.43Å; L142-F182 HydrophobicContact CD2-CE2 4.16Å
143Q91.6Very high91.9Very high102 Ų10267.3 Ų67.348%0.47733%0.328SS..G310 helixtrans-42.4-43.8173.7-80.7174.2-4.200115.9E139 F145 G146 V148E139-Q143 HydrophobicContact CG-CG 4.43Å; E139-Q143 WeakPolarHBondContact O-CG 3.22Å; E139-Q143 PolarHBondContact O-N 2.77Å; E139-Q143 PolarHBondContact OE1-NE2 3.24Å; Q143-F145 PolarHBondContact O-N 3.46Å; Q143-F145 VanDerWaalsContact O-N 3.08Å; Q143-G146 PolarHBondContact O-N 3.02Å; Q143-V148 HydrophobicContact CG-CG2 4.42Å
144P92.4Very high92.2Very high100 Ų10070.3 Ų70.365%0.64934%0.344SS*.G310 helixtrans-66.3-7.8178.523.9-34000115.2K140 L142K140-P144 WeakPolarHBondContact O-CD 3.49Å; L142-P144 VanDerWaalsContact C-CD 3.41Å; L142-P144 VanDerWaalsContact C-N 3.34Å
145F90.5Very high92.3Very high51 Ų5172.1 Ų72.122%0.22435%0.346CS..G310 helixtrans-104.8-5.2176.8-59-82.9000113.5L142 Q143 A177 V178 H181 F182L142-F145 PolarHBondContact O-N 3.19Å; Q143-F145 PolarHBondContact O-N 3.46Å; Q143-F145 VanDerWaalsContact O-N 3.08Å; F145-A177 HydrophobicContact CD1-CB 4.21Å; F145-V178 HydrophobicContact CB-CG2 3.47Å; F145-V178 VanDerWaalsContact CB-CG2 3.47Å; F145-V178 HydrophobicContact CD2-CG2 4.19Å; F145-V178 HydrophobicContact CG-CG2 3.85Å; F145-H181 HydrophobicContact CD1-CB 4.4Å; F145-H181 HydrophobicContact CE1-CB 3.52Å; F145-H181 AromaticContact CE1-CG 3.58Å; F145-H181 HydrophobicContact CZ-CB 3.7Å; F145-H181 AromaticContact CZ-CD2 3.85Å; F145-H181 AromaticContact CZ-CE1 3.82Å; F145-H181 AromaticContact CZ-CG 3.32Å; F145-H181 AromaticContact CZ-ND1 3.31Å; F145-H181 VanDerWaalsContact CZ-ND1 3.31Å; F145-H181 WeakPolarHBondContact CZ-ND1 3.24Å; F145-F182 AromaticContact CD2-CE2 3.79Å; F145-F182 HydrophobicContact CD2-CE2 3.79Å; F145-F182 HydrophobicContact CE2-CD2 4.24Å; F145-F182 AromaticContact CE2-CE2 3.32Å; F145-F182 HydrophobicContact CE2-CE2 3.32Å; F145-F182 AromaticContact CE2-CZ 3.8Å; F145-F182 HydrophobicContact CE2-CZ 3.8Å; F145-F182 HydrophobicContact CZ-CE2 4.06Å
146G90.7Very high92.2Very high26 Ų2672.3 Ų72.327%0.26835%0.349SS..SBendtrans144.7-175.6179.300000113.6Q143 V148Q143-G146 PolarHBondContact O-N 3.02Å; G146-V148 PolarHBondContact O-N 2.88Å
147Q93.4Very high92.1Very high125 Ų12572.9 Ų72.958%0.58435%0.352SS*.  trans-73.7121.2-179.9-177.659.758.900110.4D170 Q174Q147-D170 HydrophobicContact CB-CB 3.96Å; Q147-D170 HydrophobicContact CG-CB 4.48Å; Q147-D170 PolarHBondContact O-N 3.22Å; Q147-Q174 PolarHBondContact O-OE1 2.93Å
148V94.3Very high92Very high7 Ų772.8 Ų72.84%0.04236%0.36CS..EExtended strand (participates in β ladder)trans-82.8127.4171.1-170.80000108.3E139 L142 Q143 G146 T151 M169E139-V148 HydrophobicContact CG-CB 4.03Å; E139-V148 HydrophobicContact CG-CG1 4.13Å; E139-V148 HydrophobicContact CG-CG2 4.18Å; L142-V148 HydrophobicContact CB-CG2 3.61Å; Q143-V148 HydrophobicContact CG-CG2 4.42Å; G146-V148 PolarHBondContact O-N 2.88Å; V148-T151 HydrophobicContact CG1-CG2 3.63Å; V148-M169 HydrophobicContact CG2-CE 4.06Å; V148-M169 HydrophobicContact CG2-SD 4.13Å
149V92.6Very high91.7Very high77 Ų7774.6 Ų74.647%0.46738%0.38SS..EExtended strand (participates in β ladder)trans-91.8-35.2179.5176.90000110.8R168 D170V149-R168 WeakPolarHBondContact CA-O 3.38Å; V149-R168 HydrophobicContact CB-CB 4.22Å; V149-R168 HydrophobicContact CB-CG 4.11Å; V149-R168 WeakPolarHBondContact CB-O 3.48Å; V149-R168 HydrophobicContact CG1-CG 4.33Å; V149-R168 PolarHBondContact N-O 3.38Å; V149-D170 HydrophobicContact CG2-CB 4.1Å
150S91.4Very high91.5Very high60 Ų6076.5 Ų76.542%0.4239%0.392SS..EExtended strand (participates in β ladder)trans-164.8152.9168.952.60000111.8A167 R168S150-A167 CarbonylContact O-C 3.54Å; S150-A167 VanDerWaalsContact O-CA 3.3Å; S150-A167 WeakPolarHBondContact O-CA 3.43Å; S150-R168 PolarHBondContact N-O 2.82Å; S150-R168 PolarHBondContact O-N 3.27Å
151T94.4Very high91.4Very high26 Ų2669.9 Ų69.916%0.1637%0.365CS..EExtended strand (participates in β ladder)trans-122.5157.1165.865.20000110.9E135 L138 E139 V148 F166 A167E135-T151 WeakPolarHBondContact CB-OG1 3.42Å; E135-T151 PolarHBondContact O-OG1 2.79Å; L138-T151 HydrophobicContact CD2-CG2 4.47Å; L138-T151 HydrophobicContact CG-CG2 4.31Å; E139-T151 HydrophobicContact CB-CG2 3.86Å; E139-T151 HydrophobicContact CG-CG2 4.5Å; V148-T151 HydrophobicContact CG1-CG2 3.63Å; T151-F166 CarbonylContact C-O 3.47Å; T151-F166 WeakPolarHBondContact CA-O 3.5Å; T151-A167 HydrophobicContact CG2-CB 4.2Å
152R93.5Very high91.5Very high169 Ų16974.8 Ų74.864%0.63838%0.381SS*.EExtended strand (participates in β ladder)trans-154.3125.3174.3-177.5176.4-177.4163.84.7111G165 F166R152-G165 CarbonylContact O-C 3.55Å; R152-G165 VanDerWaalsContact O-CA 3.26Å; R152-G165 WeakPolarHBondContact O-CA 3.3Å; R152-F166 PolarHBondContact N-O 2.66Å; R152-F166 PolarHBondContact O-N 3.2Å
153I94.3Very high91.5Very high6 Ų675 Ų753%0.03138%0.384CS..EExtended strand (participates in β ladder)trans-87.4138.7170.8-57-59000109.3L129 E135 L138 R155 S161L129-I153 HydrophobicContact CD1-CD1 3.98Å; E135-I153 HydrophobicContact CG-CG1 4.06Å; E135-I153 WeakPolarHBondContact OE1-CA 3.44Å; E135-I153 VanDerWaalsContact OE1-CB 3.31Å; E135-I153 WeakPolarHBondContact OE1-CB 3.21Å; E135-I153 PolarHBondContact OE1-N 2.89Å; L138-I153 HydrophobicContact CB-CD1 4.41Å; L138-I153 HydrophobicContact CD2-CD1 3.78Å; I153-R155 HydrophobicContact CG2-CG 4.24Å; I153-R155 PolarHBondContact O-N 2.85Å; I153-S161 WeakPolarHBondContact CG2-OG 3.47Å
154L93Very high91.5Very high65 Ų6571 Ų7134%0.3437%0.367SS..EExtended strand (participates in β ladder)trans-85.3103.8174-144.469.6000108.1R162 V164 F166L154-R162 WeakPolarHBondContact O-CB 3.5Å; L154-R162 WeakPolarHBondContact O-CG 3.19Å; L154-R162 PolarHBondContact O-N 3.46Å; L154-V164 HydrophobicContact CB-CB 4.05Å; L154-V164 HydrophobicContact CB-CG1 4.17Å; L154-V164 WeakPolarHBondContact CB-O 3.43Å; L154-V164 HydrophobicContact CD2-CG1 4.19Å; L154-V164 PolarHBondContact N-O 3.09Å; L154-F166 HydrophobicContact CD1-CE2 4.13Å; L154-F166 HydrophobicContact CD2-CE2 4.43Å
155R93.4Very high91.6Very high100 Ų10066.2 Ų66.238%0.37734%0.336SS..EExtended strand (participates in β ladder)trans-96.2154.3178-61.5173.9-169.2-96.8-0110.3D134 E135 I153 G159 N160D134-R155 IonicContact OD1-CZ 3.62Å; D134-R155 IonicContact OD1-NH1 2.69Å; D134-R155 PolarHBondContact OD1-NH1 2.85Å; D134-R155 IonicContact OD1-NH2 3.83Å; D134-R155 PolarHBondContact OD1-NH2 2.86Å; E135-R155 IonicContact OE1-NE 3.03Å; E135-R155 IonicContact OE1-NH2 3.41Å; E135-R155 IonicContact OE2-CZ 2.9Å; E135-R155 IonicContact OE2-NE 4Å; E135-R155 IonicContact OE2-NH2 3.74Å; E135-R155 PolarHBondContact OE2-NH2 3.38Å; I153-R155 HydrophobicContact CG2-CG 4.24Å; I153-R155 PolarHBondContact O-N 2.85Å; R155-G159 WeakPolarHBondContact CD-O 3.26Å; R155-N160 CarbonylContact C-O 3.56Å; R155-N160 VanDerWaalsContact CA-O 3.23Å; R155-N160 WeakPolarHBondContact CA-O 3.16Å
156D91.3Very high91.8Very high55 Ų5566.9 Ų66.929%0.29434%0.338SS..  trans-87175.9175.1-148.438.6000111.6S158 G159 N160 R162D156-S158 PolarHBondContact O-N 3.1Å; D156-G159 PolarHBondContact O-N 3.42Å; D156-N160 PolarHBondContact N-O 3.39Å; D156-R162 HydrophobicContact CB-CG 3.96Å; D156-R162 IonicContact OD1-CZ 2.73Å; D156-R162 IonicContact OD1-NH1 2.86Å; D156-R162 PolarHBondContact OD1-NH1 3.14Å
157Y89.4Confident92Very high210 Ų21065.7 Ų65.782%0.82433%0.326SS*.THydrogen-bonded Turntrans-60.7-27.8-178.552.9-88.6000113.1G159Y157-G159 PolarHBondContact O-N 3.06Å
158S88.6Confident91.9Very high76 Ų7662.7 Ų62.753%0.53131%0.309SS..THydrogen-bonded Turntrans-8111.2172.5-49.40000114.3D156 N160D156-S158 PolarHBondContact O-N 3.1Å; S158-N160 PolarHBondContact O-N 3.39Å; S158-N160 VanDerWaalsContact O-N 3.1Å
159G86.2Confident91.9Very high41 Ų4162.3 Ų62.342%0.42331%0.307SS..SBendtrans77.9-16.9179.600000115.8R155 D156 Y157R155-G159 WeakPolarHBondContact CD-O 3.26Å; D156-G159 PolarHBondContact O-N 3.42Å; Y157-G159 PolarHBondContact O-N 3.06Å
160N88.4Confident91.9Very high112 Ų11263.2 Ų63.260%0.59931%0.31SS*.  trans-58.8139.6177.8-66.8-30.7000112.3R155 D156 S158R155-N160 CarbonylContact C-O 3.56Å; R155-N160 VanDerWaalsContact CA-O 3.23Å; R155-N160 WeakPolarHBondContact CA-O 3.16Å; D156-N160 PolarHBondContact N-O 3.39Å; S158-N160 PolarHBondContact O-N 3.39Å; S158-N160 VanDerWaalsContact O-N 3.1Å
161S90.9Very high92Very high15 Ų1562.6 Ų62.611%0.10530%0.303CS..EExtended strand (participates in β ladder)trans-59.4143.4169.7179.50000111L131 I153 G163L131-S161 VanDerWaalsContact O-CB 3.31Å; L131-S161 WeakPolarHBondContact O-CB 3.23Å; I153-S161 WeakPolarHBondContact CG2-OG 3.47Å; S161-G163 PolarHBondContact OG-N 2.88Å
162R90.4Very high91.9Very high145 Ų14563.5 Ų63.555%0.54731%0.309SS..EExtended strand (participates in β ladder)trans-97.69.8173.6-59.6174.856.4133.9-1.4113.1L154 D156 V164L154-R162 WeakPolarHBondContact O-CB 3.5Å; L154-R162 WeakPolarHBondContact O-CG 3.19Å; L154-R162 PolarHBondContact O-N 3.46Å; D156-R162 HydrophobicContact CB-CG 3.96Å; D156-R162 IonicContact OD1-CZ 2.73Å; D156-R162 IonicContact OD1-NH1 2.86Å; D156-R162 PolarHBondContact OD1-NH1 3.14Å; R162-V164 PolarHBondContact O-N 2.9Å
163G89.8Confident91.9Very high6 Ų661.4 Ų61.46%0.06231%0.306CS..EExtended strand (participates in β ladder)trans64.723.8-174.400000113.7S127 N128 L129 S161S127-G163 CarbonylContact C-O 3.57Å; S127-G163 WeakPolarHBondContact CA-O 3.41Å; N128-G163 PolarHBondContact N-O 2.96Å; L129-G163 PolarHBondContact N-O 2.89Å; L129-G163 WeakPolarHBondContact O-CA 3.13Å; S161-G163 PolarHBondContact OG-N 2.88Å
164V93.1Very high91.9Very high19 Ų1962.5 Ų62.512%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-129133.6-1801770000108.4Y125 I126 L154 R162 F166Y125-V164 HydrophobicContact CD2-CG1 4.25Å; Y125-V164 HydrophobicContact CE2-CG1 3.5Å; I126-V164 CarbonylContact O-C 3.5Å; I126-V164 WeakPolarHBondContact O-CA 3.33Å; L154-V164 HydrophobicContact CB-CB 4.05Å; L154-V164 HydrophobicContact CB-CG1 4.17Å; L154-V164 WeakPolarHBondContact CB-O 3.43Å; L154-V164 HydrophobicContact CD2-CG1 4.19Å; L154-V164 PolarHBondContact N-O 3.09Å; R162-V164 PolarHBondContact O-N 2.9Å; V164-F166 HydrophobicContact CG1-CE2 4.4Å
165G93.6Very high91.9Very high0 Ų059.4 Ų59.40%030%0.295CS..EExtended strand (participates in β ladder)trans-135.3158.6175.300000111.9I126 R152I126-G165 PolarHBondContact N-O 2.87Å; I126-G165 PolarHBondContact O-N 2.84Å; R152-G165 CarbonylContact O-C 3.55Å; R152-G165 VanDerWaalsContact O-CA 3.26Å; R152-G165 WeakPolarHBondContact O-CA 3.3Å
166F94.6Very high92Very high64 Ų6458.6 Ų58.628%0.28130%0.298SS..EExtended strand (participates in β ladder)trans-118.1145.7169.2-68.4-93.7000109.1L124 Y125 T151 R152 L154 V164 A205L124-F166 VanDerWaalsContact O-CA 3.27Å; L124-F166 WeakPolarHBondContact O-CA 3.3Å; Y125-F166 AromaticContact CD2-CE1 3.8Å; Y125-F166 HydrophobicContact CD2-CE1 3.8Å; Y125-F166 HydrophobicContact CD2-CE2 4.42Å; Y125-F166 AromaticContact CD2-CZ 3.74Å; Y125-F166 HydrophobicContact CD2-CZ 3.74Å; Y125-F166 HydrophobicContact CE2-CZ 4.25Å; T151-F166 CarbonylContact C-O 3.47Å; T151-F166 WeakPolarHBondContact CA-O 3.5Å; R152-F166 PolarHBondContact N-O 2.66Å; R152-F166 PolarHBondContact O-N 3.2Å; L154-F166 HydrophobicContact CD1-CE2 4.13Å; L154-F166 HydrophobicContact CD2-CE2 4.43Å; V164-F166 HydrophobicContact CG1-CE2 4.4Å; F166-A205 HydrophobicContact CD1-CB 4.11Å; F166-A205 HydrophobicContact CE1-CB 4.13Å
167A94.3Very high92.1Very high1 Ų158 Ų581%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-144.2126.1175.200000111L124 I126 L142 S150 T151L124-A167 WeakPolarHBondContact CB-O 3.44Å; L124-A167 PolarHBondContact N-O 3.3Å; L124-A167 PolarHBondContact O-N 3.11Å; L124-A167 VanDerWaalsContact O-N 3.08Å; I126-A167 HydrophobicContact CD1-CB 4.27Å; L142-A167 HydrophobicContact CD1-CB 3.33Å; S150-A167 CarbonylContact O-C 3.54Å; S150-A167 VanDerWaalsContact O-CA 3.3Å; S150-A167 WeakPolarHBondContact O-CA 3.43Å; T151-A167 HydrophobicContact CG2-CB 4.2Å
168R93.1Very high92.3Very high62 Ų6248 Ų4823%0.23426%0.262CS..EExtended strand (participates in β ladder)trans-92.9120.2171-171.5175174.4161.3-8.3107.9E118 D120 T122 V149 S150E118-R168 IonicContact OE1-CZ 3.72Å; E118-R168 IonicContact OE1-NH1 3.48Å; E118-R168 PolarHBondContact OE1-NH1 2.77Å; E118-R168 IonicContact OE1-NH2 3.31Å; E118-R168 PolarHBondContact OE1-NH2 2.94Å; E118-R168 IonicContact OE2-CZ 2.69Å; E118-R168 IonicContact OE2-NH1 3.51Å; E118-R168 PolarHBondContact OE2-NH1 3.25Å; E118-R168 IonicContact OE2-NH2 3.39Å; D120-R168 VanDerWaalsContact CG-CZ 3.45Å; D120-R168 IonicContact OD1-CZ 2.71Å; D120-R168 VanDerWaalsContact OD1-CZ 3.31Å; D120-R168 IonicContact OD1-NE 2.69Å; D120-R168 IonicContact OD1-NH1 3.87Å; D120-R168 PolarHBondContact OD1-NH1 2.78Å; D120-R168 IonicContact OD1-NH2 3.51Å; D120-R168 WeakPolarHBondContact OD2-CD 3.48Å; D120-R168 IonicContact OD2-CZ 3.91Å; D120-R168 IonicContact OD2-NE 3.74Å; D120-R168 IonicContact OD2-NH1 3.73Å; D120-R168 PolarHBondContact OD2-NH1 3.18Å; T122-R168 WeakPolarHBondContact O-CA 3.44Å; T122-R168 WeakPolarHBondContact OG1-CG 3.49Å; V149-R168 WeakPolarHBondContact CA-O 3.38Å; V149-R168 HydrophobicContact CB-CB 4.22Å; V149-R168 HydrophobicContact CB-CG 4.11Å; V149-R168 WeakPolarHBondContact CB-O 3.48Å; V149-R168 HydrophobicContact CG1-CG 4.33Å; V149-R168 PolarHBondContact N-O 3.38Å; S150-R168 PolarHBondContact N-O 2.82Å; S150-R168 PolarHBondContact O-N 3.27Å
169M94.4Very high92.5Very high0 Ų045.9 Ų45.90%024%0.244CC..EExtended strand (participates in β ladder)trans-88.7169.5168.6-54.1-57.3-64.300109.8T122 L124 L142 V148 Q174 V178T122-M169 WeakPolarHBondContact CB-O 3.45Å; T122-M169 PolarHBondContact O-N 2.85Å; T122-M169 PolarHBondContact OG1-O 2.8Å; L124-M169 HydrophobicContact CD1-CG 3.97Å; L124-M169 HydrophobicContact CD1-SD 4.49Å; L142-M169 HydrophobicContact CB-SD 4.31Å; L142-M169 HydrophobicContact CD1-SD 4.46Å; V148-M169 HydrophobicContact CG2-CE 4.06Å; V148-M169 HydrophobicContact CG2-SD 4.13Å; M169-Q174 HydrophobicContact CB-CB 4.06Å; M169-Q174 HydrophobicContact CE-CB 4.16Å; M169-Q174 HydrophobicContact CG-CB 4.37Å; M169-V178 HydrophobicContact CE-CG2 4.33Å; M169-V178 HydrophobicContact SD-CG2 4.38Å
170D92.6Very high92.9Very high96 Ų9648.6 Ų48.651%0.51326%0.257SS..SBendtrans-73.1-40.7175.9177.567.4000112.6Q147 V149Q147-D170 HydrophobicContact CB-CB 3.96Å; Q147-D170 HydrophobicContact CG-CB 4.48Å; Q147-D170 PolarHBondContact O-N 3.22Å; V149-D170 HydrophobicContact CG2-CB 4.1Å
171T92.6Very high93Very high46 Ų4648 Ų4828%0.28225%0.25SC..SBendtrans-131.3162.617686.40000115E173 Q174 C175T171-E173 VanDerWaalsContact C-N 3.26Å; T171-E173 WeakPolarHBondContact CB-OE2 3.46Å; T171-E173 PolarHBondContact O-N 3.17Å; T171-E173 PolarHBondContact OG1-OE2 3.15Å; T171-Q174 WeakPolarHBondContact O-CB 3.47Å; T171-Q174 PolarHBondContact O-N 3.3Å; T171-Q174 PolarHBondContact OG1-NE2 2.91Å; T171-C175 PolarHBondContact O-N 2.91Å
172T92.1Very high92.9Very high45 Ų4548.6 Ų48.628%0.27625%0.251SS..Hα-helixtrans-69.5-25.5-176.8-42.50000112C175 N176 F204T172-C175 WeakPolarHBondContact O-CB 3.31Å; T172-C175 PolarHBondContact O-N 3.41Å; T172-N176 PolarHBondContact O-N 3.14Å; T172-N176 PolarHBondContact O-ND2 3.23Å; T172-F204 HydrophobicContact CG2-CE1 3.79Å; T172-F204 HydrophobicContact CG2-CZ 3.86Å
173E94.4Very high93Very high125 Ų12545.1 Ų45.158%0.58424%0.243SC*.Hα-helixtrans-71.7-40.7179.1-58.264-129.700109.7T171 C175 N176 A177T171-E173 VanDerWaalsContact C-N 3.26Å; T171-E173 WeakPolarHBondContact CB-OE2 3.46Å; T171-E173 PolarHBondContact O-N 3.17Å; T171-E173 PolarHBondContact OG1-OE2 3.15Å; E173-C175 VanDerWaalsContact C-N 3.32Å; E173-C175 PolarHBondContact O-N 3.13Å; E173-N176 PolarHBondContact O-N 3.17Å; E173-A177 PolarHBondContact O-N 3.04Å
174Q94.6Very high92.8Very high30 Ų3047 Ų4714%0.1426%0.262CS..Hα-helixtrans-60.8-43171.6-57.5168.938.900110.3Q147 M169 T171 N176 A177 V178Q147-Q174 PolarHBondContact O-OE1 2.93Å; M169-Q174 HydrophobicContact CB-CB 4.06Å; M169-Q174 HydrophobicContact CE-CB 4.16Å; M169-Q174 HydrophobicContact CG-CB 4.37Å; T171-Q174 WeakPolarHBondContact O-CB 3.47Å; T171-Q174 PolarHBondContact O-N 3.3Å; T171-Q174 PolarHBondContact OG1-NE2 2.91Å; Q174-N176 PolarHBondContact O-N 3.27Å; Q174-A177 PolarHBondContact O-N 3.39Å; Q174-V178 VanDerWaalsContact O-CG2 3.32Å; Q174-V178 WeakPolarHBondContact O-CG2 3.49Å; Q174-V178 PolarHBondContact O-N 2.92Å
175C93Very high92.4Very high0 Ų051.5 Ų51.50%028%0.28CS..Hα-helixtrans-58-45.8172.8-65.80000112.9T122 L124 T171 T172 E173 A177 V178 I179 F204T122-C175 WeakPolarHBondContact CA-SG 3.04Å; T122-C175 PolarHBondContact O-SG 2.97Å; L124-C175 HydrophobicContact CD2-CB 3.71Å; L124-C175 HydrophobicContact CG-CB 4.21Å; T171-C175 PolarHBondContact O-N 2.91Å; T172-C175 WeakPolarHBondContact O-CB 3.31Å; T172-C175 PolarHBondContact O-N 3.41Å; E173-C175 VanDerWaalsContact C-N 3.32Å; E173-C175 PolarHBondContact O-N 3.13Å; C175-A177 VanDerWaalsContact C-N 3.34Å; C175-A177 PolarHBondContact O-N 2.99Å; C175-V178 PolarHBondContact O-N 2.95Å; C175-I179 WeakPolarHBondContact O-CB 3.44Å; C175-I179 WeakPolarHBondContact O-CD1 3.42Å; C175-I179 WeakPolarHBondContact O-CG1 3.42Å; C175-I179 PolarHBondContact O-N 2.83Å; C175-F204 HydrophobicContact CB-CD1 4.28Å; C175-F204 HydrophobicContact CB-CE1 3.4Å; C175-F204 HydrophobicContact CB-CZ 3.78Å
176N93.9Very high91.8Very high83 Ų8357.7 Ų57.744%0.44431%0.307SS..Hα-helixtrans-63.6-38.5176.9-76.9-65.8000112.2T172 E173 Q174 I179 S180T172-N176 PolarHBondContact O-N 3.14Å; T172-N176 PolarHBondContact O-ND2 3.23Å; E173-N176 PolarHBondContact O-N 3.17Å; Q174-N176 PolarHBondContact O-N 3.27Å; N176-I179 PolarHBondContact O-N 3.49Å; N176-S180 VanDerWaalsContact O-CB 3.26Å; N176-S180 WeakPolarHBondContact O-CB 3.48Å; N176-S180 PolarHBondContact O-N 3.07Å
177A94.6Very high90.8Very high43 Ų4355.9 Ų55.936%0.35530%0.3SS..Hα-helixtrans-64-46.8175.100000112.1F145 E173 Q174 C175 S180 H181F145-A177 HydrophobicContact CD1-CB 4.21Å; E173-A177 PolarHBondContact O-N 3.04Å; Q174-A177 PolarHBondContact O-N 3.39Å; C175-A177 VanDerWaalsContact C-N 3.34Å; C175-A177 PolarHBondContact O-N 2.99Å; A177-S180 PolarHBondContact O-N 2.81Å; A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 2.95Å
178V93.3Very high89.4Confident0 Ų065.4 Ų65.40%034%0.341CS..Hα-helixtrans-58.7-47.8174.5171.50000111.2L124 L142 F145 M169 Q174 C175 H181 F182L124-V178 HydrophobicContact CD1-CB 3.85Å; L124-V178 HydrophobicContact CD1-CG1 3.52Å; L124-V178 HydrophobicContact CD1-CG2 4.33Å; L142-V178 HydrophobicContact CD2-CB 4.26Å; L142-V178 HydrophobicContact CD2-CG1 3.31Å; L142-V178 HydrophobicContact CD2-CG2 3.83Å; F145-V178 HydrophobicContact CB-CG2 3.47Å; F145-V178 VanDerWaalsContact CB-CG2 3.47Å; F145-V178 HydrophobicContact CD2-CG2 4.19Å; F145-V178 HydrophobicContact CG-CG2 3.85Å; M169-V178 HydrophobicContact CE-CG2 4.33Å; M169-V178 HydrophobicContact SD-CG2 4.38Å; Q174-V178 VanDerWaalsContact O-CG2 3.32Å; Q174-V178 WeakPolarHBondContact O-CG2 3.49Å; Q174-V178 PolarHBondContact O-N 2.92Å; C175-V178 PolarHBondContact O-N 2.95Å; V178-H181 PolarHBondContact O-N 3.41Å; V178-F182 HydrophobicContact CG1-CD2 3.95Å; V178-F182 WeakPolarHBondContact O-CB 3.41Å; V178-F182 PolarHBondContact O-N 2.84Å
179I93.4Very high87.9Confident30 Ų3063.9 Ų63.915%0.15434%0.338CS..Hα-helixtrans-59-51.1177.6-70.2163.6000110.2L124 C175 N176 H181 N183 F204L124-I179 HydrophobicContact CD2-CD1 3.64Å; L124-I179 HydrophobicContact CD2-CG1 3.72Å; C175-I179 WeakPolarHBondContact O-CB 3.44Å; C175-I179 WeakPolarHBondContact O-CD1 3.42Å; C175-I179 WeakPolarHBondContact O-CG1 3.42Å; C175-I179 PolarHBondContact O-N 2.83Å; N176-I179 PolarHBondContact O-N 3.49Å; I179-H181 VanDerWaalsContact C-N 3.31Å; I179-H181 PolarHBondContact O-N 3.33Å; I179-N183 HydrophobicContact CG2-CB 4.42Å; I179-N183 WeakPolarHBondContact O-CB 3.19Å; I179-N183 PolarHBondContact O-N 3.13Å; I179-F204 HydrophobicContact CD1-CD1 4.5Å; I179-F204 HydrophobicContact CD1-CD2 3.57Å; I179-F204 HydrophobicContact CD1-CE1 4.44Å; I179-F204 HydrophobicContact CD1-CE2 3.49Å; I179-F204 VanDerWaalsContact CD1-CE2 3.49Å; I179-F204 HydrophobicContact CD1-CG 4.09Å; I179-F204 HydrophobicContact CD1-CZ 3.95Å
180S93.3Very high86Confident99 Ų9968.6 Ų68.669%0.69238%0.377SS*.Hα-helixtrans-61.5-37.6-178.5-170.50000112.7N176 A177N176-S180 VanDerWaalsContact O-CB 3.26Å; N176-S180 WeakPolarHBondContact O-CB 3.48Å; N176-S180 PolarHBondContact O-N 3.07Å; A177-S180 PolarHBondContact O-N 2.81Å
181H90.3Very high84.1Confident98 Ų9868.3 Ų68.345%0.45438%0.383SS..Hα-helixtrans-78-46.1-179.7-173.4-94000113.4F145 A177 V178 I179 K185F145-H181 HydrophobicContact CD1-CB 4.4Å; F145-H181 HydrophobicContact CE1-CB 3.52Å; F145-H181 AromaticContact CE1-CG 3.58Å; F145-H181 HydrophobicContact CZ-CB 3.7Å; F145-H181 AromaticContact CZ-CD2 3.85Å; F145-H181 AromaticContact CZ-CE1 3.82Å; F145-H181 AromaticContact CZ-CG 3.32Å; F145-H181 AromaticContact CZ-ND1 3.31Å; F145-H181 VanDerWaalsContact CZ-ND1 3.31Å; F145-H181 WeakPolarHBondContact CZ-ND1 3.24Å; A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 2.95Å; V178-H181 PolarHBondContact O-N 3.41Å; I179-H181 VanDerWaalsContact C-N 3.31Å; I179-H181 PolarHBondContact O-N 3.33Å; H181-K185 VanDerWaalsContact O-CE 3.31Å; H181-K185 WeakPolarHBondContact O-CE 3.27Å; H181-K185 WeakPolarHBondContact O-CG 3.49Å
182F89.8Confident82.2Confident28 Ų2869.5 Ų69.512%0.12340%0.404CS..Hα-helixtrans-94.5-29-170.7-75.3-71000115M141 L142 F145 V178 G184 K185 L200 C202M141-F182 HydrophobicContact CB-CZ 4.29Å; M141-F182 HydrophobicContact CE-CD1 4.25Å; M141-F182 HydrophobicContact CE-CE1 3.5Å; M141-F182 VanDerWaalsContact CE-CE1 3.5Å; M141-F182 HydrophobicContact CE-CZ 4.03Å; M141-F182 VanDerWaalsContact O-CZ 3.32Å; M141-F182 WeakPolarHBondContact O-CZ 3.5Å; L142-F182 HydrophobicContact CD2-CD2 4.43Å; L142-F182 HydrophobicContact CD2-CE2 4.16Å; F145-F182 AromaticContact CD2-CE2 3.79Å; F145-F182 HydrophobicContact CD2-CE2 3.79Å; F145-F182 HydrophobicContact CE2-CD2 4.24Å; F145-F182 AromaticContact CE2-CE2 3.32Å; F145-F182 HydrophobicContact CE2-CE2 3.32Å; F145-F182 AromaticContact CE2-CZ 3.8Å; F145-F182 HydrophobicContact CE2-CZ 3.8Å; F145-F182 HydrophobicContact CZ-CE2 4.06Å; V178-F182 HydrophobicContact CG1-CD2 3.95Å; V178-F182 WeakPolarHBondContact O-CB 3.41Å; V178-F182 PolarHBondContact O-N 2.84Å; F182-G184 PolarHBondContact O-N 3.24Å; F182-K185 WeakPolarHBondContact O-CB 3.46Å; F182-K185 PolarHBondContact O-N 3.05Å; F182-L200 HydrophobicContact CB-CD1 3.89Å; F182-L200 HydrophobicContact CD1-CD1 3.74Å; F182-L200 HydrophobicContact CG-CD1 4.2Å; F182-L200 WeakPolarHBondContact O-CB 3.48Å; F182-C202 HydrophobicContact CB-CB 4.42Å
183N92.3Very high80.5Confident73 Ų7370 Ų7039%0.3941%0.413SS..THydrogen-bonded Turntrans-63.3126.7-178.2-171.957.1000110.8I179 K185 L201 C202I179-N183 HydrophobicContact CG2-CB 4.42Å; I179-N183 WeakPolarHBondContact O-CB 3.19Å; I179-N183 PolarHBondContact O-N 3.13Å; N183-K185 VanDerWaalsContact C-N 3.33Å; N183-L201 WeakPolarHBondContact OD1-CA 3.15Å; N183-C202 HydrophobicContact CB-CB 4.12Å; N183-C202 PolarHBondContact OD1-N 3.06Å; N183-C202 PolarHBondContact OD1-O 2.94Å
184G86.3Confident78.4Confident44 Ų4472.6 Ų72.645%0.45443%0.429SS..THydrogen-bonded Turntrans79.74.7-175.200000115.3F182 L200F182-G184 PolarHBondContact O-N 3.24Å; G184-L200 PolarHBondContact N-O 3.32Å
185K85.1Confident76.6Confident115 Ų11572.6 Ų72.650%0.544%0.438SS..PPolyproline II helixtrans-96.2153.6174.6-55.2-57.2-176.3178.90112.4H181 F182 N183 L200H181-K185 VanDerWaalsContact O-CE 3.31Å; H181-K185 WeakPolarHBondContact O-CE 3.27Å; H181-K185 WeakPolarHBondContact O-CG 3.49Å; F182-K185 WeakPolarHBondContact O-CB 3.46Å; F182-K185 PolarHBondContact O-N 3.05Å; N183-K185 VanDerWaalsContact C-N 3.33Å; K185-L200 WeakPolarHBondContact O-CB 3.35Å; K185-L200 PolarHBondContact O-N 3.5Å
186F80.9Confident75Confident130 Ų13074.6 Ų74.657%0.5745%0.451SS*.PPolyproline II helixtrans-97.7127.4170.6-61.7-95000109.7P199F186-P199 HydrophobicContact CD1-CB 4.39Å; F186-P199 HydrophobicContact CD2-CB 4.3Å; F186-P199 HydrophobicContact CE1-CB 4.13Å; F186-P199 VanDerWaalsContact CE1-N 3.34Å; F186-P199 HydrophobicContact CE2-CB 4.01Å; F186-P199 HydrophobicContact CG-CB 4.48Å; F186-P199 HydrophobicContact CZ-CB 3.93Å; F186-P199 HydrophobicContact CZ-CG 4.19Å
187I73.4Confident73.5Confident26 Ų2676.4 Ų76.413%0.13347%0.47CS..PPolyproline II helixtrans-76.1125.5168.6-53.8171.8000108.3L129 P130 M141 L200L129-I187 HydrophobicContact CD2-CD1 3.9Å; P130-I187 HydrophobicContact CG-CB 4.38Å; P130-I187 HydrophobicContact CG-CD1 4.46Å; M141-I187 HydrophobicContact CE-CD1 3.46Å; M141-I187 VanDerWaalsContact CE-CD1 3.46Å; M141-I187 HydrophobicContact CE-CG1 3.74Å; M141-I187 HydrophobicContact CE-CG2 4.24Å; M141-I187 HydrophobicContact SD-CD1 3.96Å; I187-L200 HydrophobicContact CD1-CD1 3.85Å; I187-L200 HydrophobicContact CD1-CD2 3.77Å; I187-L200 HydrophobicContact CD1-CG 4.13Å; I187-L200 HydrophobicContact CG1-CD1 3.67Å; I187-L200 HydrophobicContact CG1-CD2 4.16Å; I187-L200 HydrophobicContact CG1-CG 3.98Å
188K64Low72.7Confident200 Ų20080.1 Ų80.187%0.8748%0.48SS*.  trans-85.7114.8161.4-63.5-172.4-179.5-176.10107.9
189L62.1Low72.5Confident30 Ų3082.4 Ų82.416%0.15750%0.495CS..  trans-68.6141.3176.2-174.563.6000109.8S132 S191 G192S132-L189 VanDerWaalsContact OG-CD1 3.3Å; S132-L189 WeakPolarHBondContact OG-CD1 3.2Å; S132-L189 WeakPolarHBondContact OG-CD2 3.28Å; L189-S191 VanDerWaalsContact CD2-OG 3.27Å; L189-S191 WeakPolarHBondContact CD2-OG 3.15Å; L189-S191 WeakPolarHBondContact CG-OG 3.48Å; L189-S191 PolarHBondContact O-N 3.29Å; L189-G192 PolarHBondContact O-N 3.31Å
190A53.4Low72.3Confident100 Ų10081.3 Ų81.383%0.82649%0.489SS*.THydrogen-bonded Turntrans-61.3-18.3-175.100000114.5G192A190-G192 VanDerWaalsContact C-N 3.31Å
191S54.2Low72.2Confident90 Ų9079.5 Ų79.563%0.62947%0.471SS*.THydrogen-bonded Turntrans-82.30.717660.40000114.8L189 A193L189-S191 VanDerWaalsContact CD2-OG 3.27Å; L189-S191 WeakPolarHBondContact CD2-OG 3.15Å; L189-S191 WeakPolarHBondContact CG-OG 3.48Å; L189-S191 PolarHBondContact O-N 3.29Å; S191-A193 PolarHBondContact O-N 2.85Å; S191-A193 VanDerWaalsContact O-N 3.09Å
192G51Low72.4Confident71 Ų7175 Ų7573%0.73245%0.451SS*.  trans71.7-2.4-18000000115.3L189 A190L189-G192 PolarHBondContact O-N 3.31Å; A190-G192 VanDerWaalsContact C-N 3.31Å
193A56.7Low72.5Confident56 Ų5678.3 Ų78.346%0.46347%0.465SS..PPolyproline II helixtrans-58.914817100000110.9S191 G195S191-A193 PolarHBondContact O-N 2.85Å; S191-A193 VanDerWaalsContact O-N 3.09Å; A193-G195 PolarHBondContact O-N 2.92Å
194L50.6Low72.5Confident178 Ų17878.4 Ų78.493%0.93246%0.463SS*.PPolyproline II helixtrans-55.8117175.9-64.6176.6000109.5
195G57.5Low72.7Confident31 Ų3177 Ų7732%0.3245%0.447SS..PPolyproline II helixtrans-60.1163.5171.700000111A193 S197A193-G195 PolarHBondContact O-N 2.92Å; G195-S197 PolarHBondContact O-N 2.91Å
196P59Low72.4Confident41 Ų4176.3 Ų76.327%0.26645%0.448SS..PPolyproline II helixtrans-52.4132.7176.220.8-30.6000110.3N128 P130 Q198N128-P196 WeakPolarHBondContact O-CG 3.31Å; P130-P196 HydrophobicContact CG-CG 4.29Å; P196-Q198 PolarHBondContact O-N 3.14Å; P196-Q198 VanDerWaalsContact O-O 3.12Å
197S62.3Low71.6Confident122 Ų12271.5 Ų71.585%0.85343%0.431SS*.SBendtrans-64-6.7-175.4-164.80000113.7G195G195-S197 PolarHBondContact O-N 2.91Å
198Q78.6Confident70.7Confident121 Ų12176.3 Ų76.357%0.56545%0.453SS*.SBendtrans-108.9142.7173.3-58.4-174.920.500110N128 P196N128-Q198 HydrophobicContact CB-CB 4.42Å; N128-Q198 VanDerWaalsContact ND2-CB 3.31Å; N128-Q198 WeakPolarHBondContact ND2-CB 3.45Å; N128-Q198 PolarHBondContact ND2-OE1 3.19Å; N128-Q198 VanDerWaalsContact ND2-OE1 3.1Å; P196-Q198 PolarHBondContact O-N 3.14Å; P196-Q198 VanDerWaalsContact O-O 3.12Å
199P87.7Confident70.2Confident48 Ų4875.2 Ų75.231%0.31244%0.443SS..  trans-65159.4172.329.9-35.1000110.8N128 F186N128-P199 WeakPolarHBondContact CB-O 3.44Å; N128-P199 PolarHBondContact ND2-O 2.81Å; F186-P199 HydrophobicContact CD1-CB 4.39Å; F186-P199 HydrophobicContact CD2-CB 4.3Å; F186-P199 HydrophobicContact CE1-CB 4.13Å; F186-P199 VanDerWaalsContact CE1-N 3.34Å; F186-P199 HydrophobicContact CE2-CB 4.01Å; F186-P199 HydrophobicContact CG-CB 4.48Å; F186-P199 HydrophobicContact CZ-CB 3.93Å; F186-P199 HydrophobicContact CZ-CG 4.19Å
200L90.6Very high69.7Low7 Ų780 Ų804%0.03746%0.463CS..  trans-55.5139.6169.8-72.9178.8000111.6I126 S127 L129 F182 G184 K185 I187I126-L200 HydrophobicContact CG2-CD2 4.38Å; S127-L200 WeakPolarHBondContact O-CA 3.25Å; L129-L200 HydrophobicContact CD2-CD2 3.88Å; L129-L200 HydrophobicContact CG-CD2 4.38Å; F182-L200 HydrophobicContact CB-CD1 3.89Å; F182-L200 HydrophobicContact CD1-CD1 3.74Å; F182-L200 HydrophobicContact CG-CD1 4.2Å; F182-L200 WeakPolarHBondContact O-CB 3.48Å; G184-L200 PolarHBondContact N-O 3.32Å; K185-L200 WeakPolarHBondContact O-CB 3.35Å; K185-L200 PolarHBondContact O-N 3.5Å; I187-L200 HydrophobicContact CD1-CD1 3.85Å; I187-L200 HydrophobicContact CD1-CD2 3.77Å; I187-L200 HydrophobicContact CD1-CG 4.13Å; I187-L200 HydrophobicContact CG1-CD1 3.67Å; I187-L200 HydrophobicContact CG1-CD2 4.16Å; I187-L200 HydrophobicContact CG1-CG 3.98Å
201L90.9Very high69.5Low60 Ų6084.3 Ų84.331%0.31446%0.463SS..EExtended strand (participates in β ladder)trans-108110.5164.1175.361.9000107.9Y125 I126 S127 N183Y125-L201 HydrophobicContact CE1-CD2 4.41Å; I126-L201 CarbonylContact C-O 3.52Å; I126-L201 WeakPolarHBondContact CA-O 3.4Å; S127-L201 PolarHBondContact N-O 3.05Å; S127-L201 PolarHBondContact O-N 3.24Å; N183-L201 WeakPolarHBondContact OD1-CA 3.15Å
202C93.3Very high69.2Low3 Ų385.8 Ų85.82%0.0246%0.459CS..EExtended strand (participates in β ladder)trans-115.7131.7173.8-173.90000109.7F182 N183F182-C202 HydrophobicContact CB-CB 4.42Å; N183-C202 HydrophobicContact CB-CB 4.12Å; N183-C202 PolarHBondContact OD1-N 3.06Å; N183-C202 PolarHBondContact OD1-O 2.94Å
203K92.9Very high68.5Low98 Ų9886.7 Ų86.743%0.42646%0.46SS..EExtended strand (participates in β ladder)trans-156.4167.7179.660177.267.4177.90110.5L124 Y125 A205L124-K203 CarbonylContact C-O 3.52Å; L124-K203 WeakPolarHBondContact CA-O 3.17Å; Y125-K203 HydrophobicContact CD1-CD 4.2Å; Y125-K203 HydrophobicContact CD1-CG 4Å; Y125-K203 HydrophobicContact CG-CG 4.49Å; Y125-K203 PolarHBondContact N-O 3.22Å; Y125-K203 PolarHBondContact O-N 3.4Å; K203-A205 PolarHBondContact O-N 2.97Å
204F93Very high67.9Low76 Ų7692.7 Ų92.733%0.33348%0.478SS..EExtended strand (participates in β ladder)trans-57.1135162.4-68.8-77.5000110.5P121 T172 C175 I179P121-F204 VanDerWaalsContact O-CD1 3.25Å; P121-F204 WeakPolarHBondContact O-CD1 3.19Å; P121-F204 VanDerWaalsContact O-CE1 3.27Å; P121-F204 WeakPolarHBondContact O-CE1 3.4Å; T172-F204 HydrophobicContact CG2-CE1 3.79Å; T172-F204 HydrophobicContact CG2-CZ 3.86Å; C175-F204 HydrophobicContact CB-CD1 4.28Å; C175-F204 HydrophobicContact CB-CE1 3.4Å; C175-F204 HydrophobicContact CB-CZ 3.78Å; I179-F204 HydrophobicContact CD1-CD1 4.5Å; I179-F204 HydrophobicContact CD1-CD2 3.57Å; I179-F204 HydrophobicContact CD1-CE1 4.44Å; I179-F204 HydrophobicContact CD1-CE2 3.49Å; I179-F204 VanDerWaalsContact CD1-CE2 3.49Å; I179-F204 HydrophobicContact CD1-CG 4.09Å; I179-F204 HydrophobicContact CD1-CZ 3.95Å
205A89.6Confident67.4Low15 Ų1589.2 Ų89.212%0.12447%0.469CS..  trans-68139.8174.200000110.2N123 F166 K203 S207N123-A205 HydrophobicContact CB-CB 4.22Å; N123-A205 WeakPolarHBondContact O-CB 3.22Å; N123-A205 PolarHBondContact O-N 2.89Å; F166-A205 HydrophobicContact CD1-CB 4.11Å; F166-A205 HydrophobicContact CE1-CB 4.13Å; K203-A205 PolarHBondContact O-N 2.97Å; A205-S207 PolarHBondContact O-N 3.28Å
206D78.2Confident66.4Low100 Ų10089.9 Ų89.954%0.53548%0.476SS..  trans-72.884.5168.7-167.1-94.2000108.9Q208D206-Q208 PolarHBondContact O-N 2.99Å; D206-Q208 PolarHBondContact O-NE2 3.08Å
207S64.4Low65.6Low29 Ų2993.8 Ų93.820%0.20349%0.486CS..  trans-55.9102.3167.3-830000108D120 A205 R209D120-S207 PolarHBondContact N-OG 3.3Å; D120-S207 PolarHBondContact O-OG 2.67Å; A205-S207 PolarHBondContact O-N 3.28Å; S207-R209 PolarHBondContact O-N 3.2Å
208Q54.8Low64.7Low126 Ų12694.2 Ų94.259%0.58948%0.483SS*.SBendtrans-53.541.8-150.3-74.6-77-55.200119.4D206 K210D206-Q208 PolarHBondContact O-N 2.99Å; D206-Q208 PolarHBondContact O-NE2 3.08Å; Q208-K210 PolarHBondContact O-N 3.19Å
209R53.6Low63.1Low178 Ų17894.5 Ų94.567%0.67250%0.496SS*.  trans-69.680.2147-66.5-164-161.4-154.911.9107.8S207 K211S207-R209 PolarHBondContact O-N 3.2Å; R209-K211 PolarHBondContact O-N 3.47Å
210K52Low60.8Low131 Ų13199.7 Ų99.757%0.5752%0.521SS*.  trans-44.8113.3154.6-81.5-156.1172.2-157.40106.1Q208 H212Q208-K210 PolarHBondContact O-N 3.19Å; K210-H212 PolarHBondContact O-CD2 2.63Å; K210-H212 VanDerWaalsContact O-CD2 3.27Å; K210-H212 PolarHBondContact O-N 3.18Å
211K48.8Very low58.3Low189 Ų189102 Ų10282%0.82255%0.547SS*.  trans-60.4104.1179.2-71.4-176.7179.71790106.9R209 A213R209-K211 PolarHBondContact O-N 3.47Å; K211-A213 PolarHBondContact O-N 3.03Å
212H47.2Very low55.7Low121 Ų121108.1 Ų108.156%0.5657%0.573SS**  trans-68.282.4167.3-81.5-103.7000105.8S71 K210 H214S71-H212 PolarHBondContact OG-CE1 3.4Å; K210-H212 PolarHBondContact O-CD2 2.63Å; K210-H212 VanDerWaalsContact O-CD2 3.27Å; K210-H212 PolarHBondContact O-N 3.18Å; H212-H214 PolarHBondContact O-N 3.21Å
213A37.5Very low53.1Low90 Ų90115.1 Ų115.174%0.74462%0.616SS**  trans-70.380.9-176.300000109.1K211 S215K211-A213 PolarHBondContact O-N 3.03Å; A213-S215 PolarHBondContact O-N 3.43Å
214H43.2Very low50.6Low182 Ų182113.7 Ų113.784%0.84363%0.629SS**  trans39.246167-147.276.1000115.4H212 G216H212-H214 PolarHBondContact O-N 3.21Å; H214-G216 PolarHBondContact O-N 3.36Å
215S40.7Very low47.8Very low105 Ų105118 Ų11873%0.73466%0.656SS**  trans-73.278.9165.1-165.60000107.6A213 Y217A213-S215 PolarHBondContact O-N 3.43Å; S215-Y217 PolarHBondContact O-N 2.95Å; S215-Y217 VanDerWaalsContact O-N 3.14Å
216G37.2Very low45.5Very low46 Ų46124.1 Ų124.147%0.47469%0.686SS.*  trans-58.8115.9175.200000108.7H214 V218H214-G216 PolarHBondContact O-N 3.36Å; G216-V218 PolarHBondContact O-N 3.47Å
217Y41.7Very low43.7Very low123 Ų123130.3 Ų130.348%0.48270%0.702SS.*  trans-68.382.9173.7-111.3-98.1000108.5D56 L57 V60 S215 P219D56-Y217 PolarHBondContact OD2-OH 2.99Å; L57-Y217 WeakPolarHBondContact CA-OH 3.47Å; L57-Y217 HydrophobicContact CD1-CE1 3.88Å; V60-Y217 HydrophobicContact CB-CE1 4.43Å; V60-Y217 HydrophobicContact CG1-CD1 4.45Å; V60-Y217 HydrophobicContact CG1-CE1 4.35Å; V60-Y217 HydrophobicContact CG2-CE1 4.11Å; V60-Y217 HydrophobicContact CG2-CE2 4.31Å; S215-Y217 PolarHBondContact O-N 2.95Å; S215-Y217 VanDerWaalsContact O-N 3.14Å; Y217-P219 VanDerWaalsContact O-CD 3.26Å; Y217-P219 WeakPolarHBondContact O-CD 3.26Å
218V43.3Very low42.4Very low131 Ų131137.6 Ų137.679%0.79474%0.737SS**  trans-70.1115.1169.6-90.70000108.8G216 N220G216-V218 PolarHBondContact O-N 3.47Å; V218-N220 PolarHBondContact O-N 3.11Å; V218-N220 VanDerWaalsContact O-N 3.11Å
219P43.6Very low41.6Very low127 Ų127134.4 Ų134.483%0.82574%0.738SS**  trans-73.5104.7173.5-8.726.7000107.7Y217 G221Y217-P219 VanDerWaalsContact O-CD 3.26Å; Y217-P219 WeakPolarHBondContact O-CD 3.26Å; P219-G221 PolarHBondContact O-N 3.12Å
220N39.9Very low41.1Very low157 Ų157131.1 Ų131.184%0.8475%0.749SS**  trans-69.6124.8178.3-169.826.3000109.9V218V218-N220 PolarHBondContact O-N 3.11Å; V218-N220 VanDerWaalsContact O-N 3.11Å
221G39Very low40.8Very low56 Ų56133.7 Ų133.758%0.57777%0.765SS**  trans-152.59.1-161.800000116.8P219P219-G221 PolarHBondContact O-N 3.12Å
222Q36.3Very low40.1Very low187 Ų187131.1 Ų131.187%0.87477%0.765SS**  trans-165.8149.9159.7-114.8145.2100.500112.8
223T37.3Very low39.6Very low150 Ų150133.6 Ų133.692%0.9278%0.782SS**  trans-86.9132177-55.90000109.9
224G41.9Very low39.5Very low68 Ų68135.5 Ų135.570%0.70179%0.785SS**  trans169.4100.7170.600000116.7
225D34.6Very low39Very low167 Ų167136.6 Ų136.689%0.89378%0.783SS**  trans63.5-170.5148.8-135.3-95.4000120.5
226L40.7Very low38.8Very low143 Ų143138.3 Ų138.375%0.74978%0.783SS**  trans-121.4158.1-137.8-141.771.7000114.7L228L226-L228 PolarHBondContact O-N 2.73Å
227R39.5Very low39.3Very low231 Ų231139.9 Ų139.987%0.87279%0.785SS**  trans-14.2120.8164.3-61.9172.6172.4-146.8-0.4116.5
228L37.9Very low39.6Very low182 Ų182138.8 Ų138.895%0.95380%0.796SS**  -169.9165116.2-101.5157.2000110.7L226L226-L228 PolarHBondContact O-N 2.73Å
229G37.8Very low39.5Very low58 Ų58139.7 Ų139.760%0.59880%0.802SS**  trans-103.9151.6-169.900000115
230A43.1Very low39.5Very low109 Ų109137.7 Ų137.790%0.90180%0.796SS**  trans51.470.8146.800000118.2
231M46.2Very low39.6Very low186 Ų186135.3 Ų135.392%0.91680%0.798SS**  trans-138.188.7158.3-68.6-167.4-17500112.1
232T33.1Very low39.6Very low134 Ų134139.2 Ų139.282%0.82281%0.805SS**  trans-166.2106.2153.71750000109.2
233L36.5Very low39.5Very low174 Ų174138.3 Ų138.391%0.91180%0.8SS**  trans-115.1127.8167.7-108.7169.2000106.8Y235L233-Y235 PolarHBondContact O-N 3.34Å
234T35.5Very low39.2Very low130 Ų130138.7 Ų138.780%0.79880%0.797SS**  trans-73.8126.3-172.850.80000111.2
235Y33.4Very low38.8Very low204 Ų204139 Ų13980%0.880%0.8SS**  trans-84118.8172.8176-101.4000110.2L233 P237L233-Y235 PolarHBondContact O-N 3.34Å; Y235-P237 HydrophobicContact CD1-CG 4.29Å; Y235-P237 HydrophobicContact CE1-CB 4.01Å; Y235-P237 HydrophobicContact CE1-CG 3.55Å; Y235-P237 HydrophobicContact CE2-CB 4.23Å
236D35.6Very low38.5Very low141 Ų141142.5 Ų142.575%0.75480%0.802SS**  trans-131.8121.5165.6-169-71.9000109.2
237P49.4Very low38.3Very low79 Ų79145.6 Ų145.651%0.51381%0.805SS.*  trans-114.588.7-172.740-33000114.3Y235Y235-P237 HydrophobicContact CD1-CG 4.29Å; Y235-P237 HydrophobicContact CE1-CB 4.01Å; Y235-P237 HydrophobicContact CE1-CG 3.55Å; Y235-P237 HydrophobicContact CE2-CB 4.23Å
238S47.9Very low38.7Very low101 Ų101139.7 Ų139.771%0.70680%0.797SS**  trans-176.1100.5143.842.30000115.7
239T40.8Very low39.1Very low149 Ų149136 Ų13691%0.91479%0.787SS**SBendtrans-160.3142.4146.6-7.10000113.4
240A42.5Very low39.4Very low86 Ų86138.6 Ų138.671%0.71179%0.792SS**  trans49.570.7158.300000119.1I242A240-I242 PolarHBondContact O-N 3.5Å
241A42.5Very low39.2Very low107 Ų107143.9 Ų143.988%0.88479%0.791SS**  trans-80.9101.6155.900000110.2
242I39.3Very low39.5Very low138 Ų138140.5 Ų140.571%0.70878%0.783SS**  trans-136.3110.5177-58.4-176000111.7A240A240-I242 PolarHBondContact O-N 3.5Å
243Q33.4Very low39.5Very low168 Ų168140 Ų14079%0.78578%0.779SS**  trans55.9120.5151.1-61.2-178.1-0.100122.5
244N31.6Very low39.8Very low157 Ų157138.5 Ų138.584%0.8478%0.777SS**  trans46.3120.8131.5-61.9-52.7000121.5
245G32.7Very low39.8Very low74 Ų74138.4 Ų138.476%0.76377%0.772SS**  trans153.7110.9140.100000118.9
246Y29.8Very low40.2Very low242 Ų242138.5 Ų138.595%0.94977%0.771SS**  trans67143.8143.2-127.862.2000121.7
247Y35.5Very low40.1Very low208 Ų208137.7 Ų137.782%0.81677%0.765SS**  trans-90.6179.8165.6-119.3-121.9000108.9
248P48.5Very low39.3Very low106 Ų106142.4 Ų142.469%0.68878%0.783SS**  cis-132.4-170.67.143.7-26.8000114.9
249S45Very low38.8Very low106 Ų106143.7 Ų143.774%0.74179%0.786SS**  trans-89.8141.7169.4175.20000113.1
250P44.6Very low38.5Very low111 Ų111143.3 Ų143.372%0.72178%0.783SS**  trans-129.2150.3159.137.4-24.6000114.9
251Y40.4Very low38.3Very low220 Ų220147.3 Ų147.386%0.86379%0.787SS**  trans-80162.5167.2-59.9-92.1000112.2
252P51.2Low38.5Very low116 Ų116147.4 Ų147.475%0.75378%0.779SS**  -126.8127.5122.33.717.7000111.6
253V34.3Very low38.4Very low123 Ų123144.9 Ų144.975%0.74578%0.779SS**  74.3112.379.8173.80000114.4
254T41.8Very low38.4Very low142 Ų142144.8 Ų144.887%0.87178%0.78SS**  trans-137.8133.1158.2-64.90000109.8
255N34.7Very low38.6Very low129 Ų129142.9 Ų142.969%0.6978%0.779SS**  trans-113.6152.2174.5-96.4-29.7000107.8
256R41.8Very low39.6Very low205 Ų205145.1 Ų145.177%0.77478%0.781SS**  cis-166.8170.4-2.8-138.5-180179.8-136.53.1109.7
257I33.9Very low39.7Very low124 Ų124144.3 Ų144.364%0.63678%0.777SS**  trans80.2104.5150.1-70.9166.1000120.3
258M33.7Very low39.6Very low179 Ų179142 Ų14288%0.88278%0.776SS**  66.7147.5126.6-55.6179.278.600123.7
259T35.9Very low39Very low127 Ų127142.3 Ų142.378%0.77978%0.781SS**  trans-102.7157.2-178.448.20000112.6
260V34.8Very low39.4Very low141 Ų141143 Ų14386%0.85578%0.782SS**  176.8158.5129.3147.40000110
261Q38.8Very low39Very low170 Ų170144.6 Ų144.679%0.79479%0.79SS**  trans-67.6165.7-178.3-60.7-178.9-5.900114.3
262P46.8Very low39Very low110 Ų110139.8 Ų139.871%0.71479%0.788SS**  trans-114.2142.4134.935.1-29.8000112.2
263A36.4Very low38Very low84 Ų84138 Ų13869%0.69478%0.784SS**  trans-80159.6169.500000111.5
264M35.2Very low38Very low167 Ų167143.8 Ų143.882%0.82379%0.794SS**  trans-115.5138.4175.9-66-78.792.300110.5
265S33.9Very low37.7Very low116 Ų116145.4 Ų145.481%0.81179%0.791SS**  trans-141.7150.1173.9-68.10000109.7
266P54.4Low37.7Very low122 Ų122145.7 Ų145.779%0.79280%0.797SS**  trans-99160.8-156.137.7-36.5000114.9
267Y32.7Very low37.5Very low224 Ų224143.5 Ų143.588%0.87880%0.796SS**  trans-141.2160148.7-157.5-102.2000110.7
268M33.6Very low37.4Very low159 Ų159142.8 Ų142.878%0.78380%0.802SS**  trans-120.3157.8-165.9-57.9178.468.100112.4
269S35.5Very low37.5Very low114 Ų114142.5 Ų142.580%0.79780%0.798SS**  trans176.8158.6138.2-85.60000111
270P53.8Low37.4Very low119 Ų119141 Ų14177%0.77379%0.793SS**  -123.1174.8-128.139-27.1000116.4
271V35.5Very low37.4Very low146 Ų146145.8 Ų145.889%0.88580%0.796SS**  trans-123.8133.9163.1176.90000108.2
272S40.3Very low37.5Very low118 Ų118143.8 Ų143.883%0.82580%0.795SS**  trans-78.9154.8-177.1-700000113.4
273A30.3Very low37.5Very low79 Ų79142.8 Ų142.865%0.65380%0.796SS**  trans-85.6158.9-170.200000114.7
274Y34.7Very low37.7Very low245 Ų245147 Ų14796%0.96180%0.801SS**  trans-134135.3137.2-88.8-78.2000109.3
275Q34.9Very low37.9Very low176 Ų176146.9 Ų146.982%0.82280%0.799SS**  trans-119.1139.2174-78.3-168-2800110.4
276V35.4Very low38.4Very low134 Ų134146.4 Ų146.481%0.81279%0.793SS**  trans-148.299137.4-173.70000104.4
277Q37Very low37.6Very low159 Ų159151.5 Ų151.574%0.74380%0.798SS**  67.1115.182.5-155.1175.222.600112.7
278S31.5Very low37.9Very low110 Ų110147.9 Ų147.977%0.76979%0.792SS**  trans-123.3147.8-175.5-51.80000110.8
279H35.1Very low37.9Very low172 Ų172147.5 Ų147.580%0.79679%0.79SS**  trans-129.9129.1167.4-65.8124.4000110.8
280S35.5Very low38.1Very low97 Ų97149 Ų14968%0.67878%0.784SS**  trans-71.3168.8165.8-50.70000109.8
281W34.8Very low37.5Very low240 Ų240151.2 Ų151.291%0.90978%0.784SS**  cis-161.8-170.438.1-91.5107.8000111.2
282V41.1Very low38.1Very low128 Ų128150.6 Ų150.678%0.77678%0.783SS**  trans94.9132.9158.5-171.10000116.2
283A44.9Very low37.7Very low89 Ų89149.9 Ų149.974%0.73678%0.784SS**  trans-143.1136.717500000109.8
284H41.2Very low38Very low172 Ų172151.1 Ų151.180%0.79680%0.795SS**  trans-149.4115.9171.5-89.3-79.7000112.8
285Q38.6Very low38Very low166 Ų166145.5 Ų145.578%0.77679%0.786SS**  trans39.9146141.4-55.9-55.8-29.600123.3
286P45.6Very low37.9Very low106 Ų106145 Ų14569%0.68879%0.785SS**  trans-87.9169.6172.538.5-35.7000113.2
287Y37.5Very low37.9Very low229 Ų229143.5 Ų143.590%0.89878%0.781SS**  trans-116151.5171.2-96.4-90.4000112.7
288I39.9Very low38.8Very low148 Ų148142 Ų14276%0.75979%0.785SS**  trans-142.2169.9-179.4-89.9176.9000108.2
289M33.1Very low38.9Very low151 Ų151141.9 Ų141.974%0.74478%0.784SS**  trans77.7147.2172-92.3172.347.300116.6
290Q38.5Very low39.1Very low144 Ų144140.8 Ų140.867%0.67379%0.789SS**  cis-153.4179.4-9.8-149.3161.828.900112
291H41.6Very low39Very low166 Ų166143.3 Ų143.377%0.76980%0.795SS**  trans-72.2170.4179.4-35.8-76000113.7
292P49.2Very low39.9Very low133 Ų133137.2 Ų137.286%0.86479%0.786SS**  -137.1-173.185.538.4-24.5000114
293A31.5Very low39.5Very low103 Ų103136.9 Ų136.985%0.85179%0.79SS**  trans-135.6152.9-17200000113.5
294A35.7Very low39.1Very low105 Ų105141.4 Ų141.487%0.86880%0.798SS**  trans-154.9139.7159.100000112.4
295V35.3Very low39Very low127 Ų127138.5 Ų138.577%0.7780%0.797SS**  trans-67.2149.2-178.6172.70000113.4
296M32.7Very low38.8Very low166 Ų166139 Ų13982%0.81880%0.801SS**  trans-179.7138.4132.3-93.7-81.296.100112.7
297S36.3Very low38.4Very low103 Ų103142.5 Ų142.572%0.7281%0.808SS**  trans-140.2153.6167.4-45.10000107.2
298P54.3Low39.2Very low126 Ų126136.1 Ų136.182%0.81880%0.795SS**  -151-173.879.540.5-20.6000116.3
299S33.5Very low39Very low109 Ų109136 Ų13676%0.76280%0.802SS**  trans-54.2160-178.3-340000118.1
300V40.6Very low39.3Very low148 Ų148133 Ų13390%0.89780%0.801SS**  -161.7161.9110.4-91.80000111.2
301D32.5Very low39.6Very low150 Ų150135.4 Ų135.480%0.80281%0.814SS**  trans-118.5-162.7-174.3-147.8-95.5000110.1
302P54Low39.3Very low112 Ų112135 Ų13573%0.72782%0.816SS**  -101.4176.4-103.741-30.1000116
303S33.2Very low38.7Very low122 Ų122134.4 Ų134.485%0.85381%0.81SS**  trans-152.7163.4150.956.40000112.6
304M37.2Very low39.3Very low183 Ų183137.1 Ų137.190%0.90181%0.805SS**  trans-118.6159.3-171.7-60.8-177.217000112.3
305S37.5Very low39.9Very low112 Ų112140.4 Ų140.478%0.78380%0.802SS**  172151127.444.10000116.2
306M34.6Very low39.9Very low175 Ų175143.9 Ų143.986%0.86281%0.813SS**  trans44.1104.9148.2-59.9-59.3-176.800122.4
307H37.7Very low40.1Very low181 Ų181139.3 Ų139.384%0.83881%0.808SS**  38.2170.9109.1-123.1-138.7000121.8
308P53.7Low40Very low94 Ų94142.6 Ų142.661%0.6181%0.812SS**  -126.4178.6-108.941.5-23.9000115.1
309T36.5Very low39.4Very low147 Ų147144.1 Ų144.190%0.90281%0.813SS**  trans-173.4159143.5-80.20000110.1
310A40.2Very low39.6Very low88 Ų88144.3 Ų144.373%0.72781%0.814SS**  trans-100.9158.6-171.800000114.8
311M43.7Very low39.4Very low194 Ų194146 Ų14696%0.95682%0.817SS**  trans-165.8-173.514147.6-171.6165.700111.1
312I36Very low39.4Very low158 Ų158142.6 Ų142.681%0.8182%0.817SS**  trans-143.4158.9-141.3-162.8169.8000115.3
313T36.3Very low38.6Very low120 Ų120144.6 Ų144.674%0.73682%0.822SS**  trans87.6165.3152-142.10000121.1
314Q44.3Very low38.8Very low160 Ų160144.9 Ų144.975%0.74882%0.819SS**  trans71140.5-179-83.1-175.665.500116.9
315Q47.2Very low38.7Very low173 Ų173139.8 Ų139.881%0.80881%0.813SS**  cis-128.4149.23.8-66.1-174.9-22.100113.1
316M36.3Very low38.4Very low201 Ų201138.8 Ų138.899%0.9981%0.811SS**  trans-139.4142.3156.3-122-168.1-172.900107.9
317G36.8Very low38.5Very low70 Ų70140.1 Ų140.172%0.72281%0.808SS**  trans171.3136.4170.100000113.3
318Q34.8Very low38.6Very low171 Ų171138.9 Ų138.980%0.79981%0.806SS**  trans-164.4140.3141.4-100.3-48.7-16.100110.2
319L41.2Very low37.7Very low159 Ų159138.9 Ų138.983%0.83281%0.814SS**  trans60.6117.7162.6-54.1179.2000120.8
320S36.4Very low37.5Very low112 Ų112136.1 Ų136.178%0.78381%0.806SS**  trans-101.1163.1157.3-54.40000110.7
321L38.1Very low37.6Very low183 Ų183139.2 Ų139.296%0.95881%0.811SS**  179.3141128.4-116.983.2000110.4
322G32.8Very low38Very low79 Ų79135.4 Ų135.481%0.81480%0.8SS**  trans152.984.7170.400000117.4
323N36.6Very low37.9Very low155 Ų155131.1 Ų131.183%0.82980%0.795SS**  trans-90.2163.7170.7-8916.4000111
324T37.6Very low38Very low128 Ų128131.3 Ų131.379%0.78580%0.796SS**  cis-169.3157.4-5.220.20000111.8
325G33.7Very low37.6Very low76 Ų76133 Ų13378%0.78480%0.804SS**  trans94.9156.8154.500000116.5
326A32.5Very low36.9Very low90 Ų90128.8 Ų128.874%0.74481%0.806SS**  cis-174.4166.1-6.200000107.9
327Y35.8Very low36.9Very low203 Ų203123.6 Ų123.680%0.79680%0.796SS**  cis-162.7175.9-8.438.8-140.5000109.5
328I39.3Very low36.8Very low156 Ų156131.5 Ų131.580%0.881%0.805SS**  trans63.9137.2159.9-70.9167.2000116.9
329A35.8Very low37.1Very low93 Ų93130.6 Ų130.677%0.76980%0.803SS**  cis-160.4179.8-12.700000112.3
330A32.6Very low37.4Very low90 Ų90128.4 Ų128.474%0.74480%0.798SS**  trans-67-179.8-177.500000115.2
331N42Very low37.2Very low153 Ų153130.8 Ų130.882%0.81880%0.797SS**  cis-151.2-151.213.9-145.35.7000112.2
332P51.3Low37.3Very low114 Ų114132.2 Ų132.274%0.7479%0.791SS**  trans-126.8-175.2-141.140.3-17.3000117
333G34.5Very low38.1Very low68 Ų68133.6 Ų133.670%0.70179%0.786SS**  trans132.9110.4172.500000111.1
334V39.2Very low38.6Very low123 Ų123132.2 Ų132.275%0.74579%0.785SS**  cis90.1110.533.3-1750000114
335Q34.3Very low38.8Very low197 Ų197134.8 Ų134.892%0.92179%0.793SS**  trans68.8145.6163.8-70.3171.5-4.500119.7
336G34Very low38.8Very low83 Ų83140.1 Ų140.186%0.85680%0.798SS**  trans142.3106.1173.100000112.7
337A36Very low39.1Very low93 Ų93142.7 Ų142.777%0.76980%0.804SS**  trans-112.4143.317600000110.9
338Y33.9Very low39Very low235 Ų235137.9 Ų137.992%0.92281%0.807SS**  trans-156.1145159.8-111.1-77.5000111.6
339M42.7Very low38.8Very low152 Ų152135.2 Ų135.275%0.74981%0.808SS**  trans-89168.4167.6-68173.461.500110.7
340P46.3Very low38.6Very low113 Ų113139.1 Ų139.173%0.73481%0.81SS**  -129.1159.4120.436.7-31.2000114.1
341Q33.1Very low38.5Very low163 Ų163141.5 Ų141.576%0.76281%0.811SS**  trans-113.5145.7176.7179.3-165.185.200109
342Y40.4Very low37.9Very low212 Ų212137.9 Ų137.983%0.83181%0.81SS**  trans-113.9127.5174.2-77.6-83.8000111.7
343P48Very low37Very low108 Ų108138.5 Ų138.570%0.70181%0.811SS**PPolyproline II helixtrans-88.9164171.835.6-34.1000112.7
344P47.2Very low36.8Very low127 Ų127142.3 Ų142.383%0.82582%0.815SS**PPolyproline II helixtrans-86.4161.5-177.635.5-36.3000113.8
345L41.5Very low36.5Very low181 Ų181145.2 Ų145.295%0.94882%0.82SS**PPolyproline II helixtrans-101146.6166.5-89.6166000111.1
346Q34.5Very low36.4Very low189 Ų189144.5 Ų144.588%0.88382%0.817SS**  trans-133.1158.7-173.5-153.5170.320.100110.8
347T38.2Very low36.5Very low143 Ų143147.2 Ų147.288%0.87782%0.816SS**  trans-72.4143.2-175.511.70000113.9
348A33.2Very low36.3Very low103 Ų103149.3 Ų149.385%0.85182%0.815SS**  trans-147.3151.2157.800000109.5
349A35.8Very low36.5Very low100 Ų100142.1 Ų142.183%0.82680%0.799SS**  trans-146.1146.5173.700000108.4
350E31.2Very low36.2Very low175 Ų175139.5 Ų139.582%0.81880%0.796SS**  trans-160.8144.2155.4-124.8-167.863.300115.6
351N31.2Very low35.6Very low140 Ų140141.4 Ų141.475%0.74980%0.8SS**  trans52.2136.4147.3-84.1-42.8000123.8
352G29.9Very low35.7Very low77 Ų77140 Ų14079%0.79480%0.797SS**  trans168.863.4177.100000115.1
353T31.4Very low35.5Very low126 Ų126134.5 Ų134.577%0.77379%0.79SS**  trans-66163.6171.652.70000112.2
354L30.3Very low35.1Very low149 Ų149134.7 Ų134.778%0.7879%0.794SS**  cis-167.7144.811.4-134.5167.2000108.8
355Q32.6Very low35.9Very low184 Ų184133.8 Ų133.886%0.8679%0.788SS**  165.3158.4128.3-93.1-173.1-1.300113.8
356Q33.9Very low35.7Very low181 Ų181135.1 Ų135.185%0.84678%0.782SS**  trans-141.1125.9-173.4171.3-169.95.200108.4
357V36.1Very low36Very low140 Ų140130.1 Ų130.185%0.84877%0.767SS**  trans-138.9146.3165.7-172.90000108.9
358D31.7Very low36.4Very low138 Ų138131.4 Ų131.474%0.73876%0.763SS**  trans-97176.2-169.6-176.2-110000113.3
359S36.3Very low37.3Very low83 Ų83134.3 Ų134.358%0.5876%0.764SS**  trans88.7107.7147.7-98.20000121.9
360S37.8Very low38.1Very low98 Ų98134.1 Ų134.169%0.68576%0.757SS**  88.1142.1110.1-63.90000121.8
361N33.6Very low39.3Very low153 Ų153138.8 Ų138.882%0.81877%0.774SS**  trans69.6159.8159.4-71-27.4000119.3
362N34.4Very low39.7Very low133 Ų133138.7 Ų138.771%0.71178%0.775SS**  cis-168.5162.7-38.8-162.2-5.3000107.8
363S36.2Very low40.2Very low97 Ų97141.9 Ų141.968%0.67877%0.774SS**  trans70120.6154.1-59.50000121.2
364S39.8Very low40.7Very low112 Ų112142.8 Ų142.878%0.78377%0.774SS**  trans-47.8-155143.6-31.30000113.6
365P63.6Low41.4Very low107 Ų107142.5 Ų142.570%0.69577%0.774SS**  cis-140.1-151-0.229.1-1.5000115.1
366Y37.7Very low41.9Very low210 Ų210139.9 Ų139.982%0.82477%0.769SS**  trans96.2140.8168.5-79.1-113.4000117.9
367S42.1Very low42.4Very low83 Ų83137.1 Ų137.158%0.5876%0.764SS**  cis-168.2134.9-22.8-104.40000109.2
368Q46.5Very low42.9Very low170 Ų170136.9 Ų136.979%0.79476%0.758SS**  60.8110.788.2-87.4-74.731.700117.3
369L51.4Low43.8Very low165 Ų165136.8 Ų136.886%0.86476%0.759SS**  trans166.1149.3146.5-113.470.9000107.1
370S51.6Low44.4Very low96 Ų96141.3 Ų141.367%0.67177%0.774SS**  cis-150.1168.7-10.163.80000106.5
371K57.9Low45Very low272 Ų272145.3 Ų145.3100%1.18378%0.782SS**  cis-161.9032.2-152.6176.2-165.9177.60110.5

Retrieved 371 of 371 residues in 197 ms (Link to these results)