A0A087YIL0_POEFO Loading...

ASXL transcriptional regulator 2

AlphaFold DB , UniProt , Accession A0A087YIL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 975 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
1M35.9Very low33.7Very low235 Ų235148.9 Ų148.9100%1.15879%0.794SS**  0112.60-62.4164.5-173.800105.3
2A32.1Very low33.2Very low86 Ų86144.2 Ų144.271%0.71178%0.779SS**  67.3133.755.400000110.8
3E34.7Very low33.2Very low167 Ų167146.8 Ų146.878%0.7878%0.783SS**  cis-173.2-173.1-16.2-130.2164.2-134.400107.7
4N33.8Very low33.5Very low130 Ų130144.3 Ų144.370%0.69578%0.779SS**  trans68.3120.5177.1-64.1-76.3000115.3
5I38.8Very low33.7Very low136 Ų136144.3 Ų144.370%0.69779%0.785SS**  cis73.5111.439.8-50.6159.8000112.6
6T32.1Very low34Very low135 Ų135142.9 Ų142.983%0.82878%0.782SS**  -163.6150.9122.6-74.90000109.1
7T34.7Very low34.3Very low117 Ų117141.2 Ų141.272%0.71878%0.78SS**  trans-92.5162.7-169.450.50000113.9
8K33.7Very low34.5Very low212 Ų212147.1 Ų147.192%0.92279%0.788SS**  trans-154.9143.4138.4-114.5164.5-174.4174.90112
9T35.3Very low34.6Very low123 Ų123150.1 Ų150.176%0.75579%0.793SS**  trans-116.8178-178.6-49.80000108.6
10E27.4Very low34.9Very low159 Ų159149.1 Ų149.174%0.74379%0.793SS**  trans96.5145.7177.2-57.8-82.998.200115
11L31.6Very low34.9Very low138 Ų138148 Ų14872%0.72379%0.794SS**  cis-155.6175.7-36.4-16450.6000108.3
12C28.6Very low35Very low92 Ų92145 Ų14562%0.62278%0.778SS**  trans-84.3170.2-161.5-64.30000118.2
13H32.8Very low35.5Very low179 Ų179150.4 Ų150.483%0.82978%0.78SS**  trans110.7155.8148-55.1-61.3000117.9
14P37.8Very low35.7Very low111 Ų111148.1 Ų148.172%0.72178%0.782SS**  -132.6144.9-52.336.7-22.7000113.1
15V36Very low36.3Very low144 Ų144148.5 Ų148.587%0.87378%0.784SS**PPolyproline II helixtrans-83.4121.5176.7179.60000111.3
16V38.4Very low36.6Very low123 Ų123152.7 Ų152.775%0.74579%0.791SS**PPolyproline II helixtrans-71.7126.2177.9177.70000111.1R18V16-R18 PolarHBondContact O-N 3.37Å
17P39.1Very low37.3Very low113 Ų113152.7 Ų152.773%0.73479%0.785SS**PPolyproline II helixtrans-64.7127172.3-21.433.6000111.8K19P17-K19 PolarHBondContact O-N 2.92Å
18R38.9Very low37.7Very low247 Ų247149.8 Ų149.893%0.93277%0.77SS**PPolyproline II helixtrans-65.3119171.7-75.4-176.1171.4-175.6-3.1109.7V16 V20V16-R18 PolarHBondContact O-N 3.37Å; R18-V20 PolarHBondContact O-N 3.37Å
19K35.7Very low38.4Very low205 Ų205143.5 Ų143.589%0.89176%0.757SS**PPolyproline II helixtrans-64.8128.4173.5-70-179.4177.2178.80110.2P17P17-K19 PolarHBondContact O-N 2.92Å
20V39.6Very low39Very low129 Ų129139.8 Ų139.878%0.78274%0.743SS**PPolyproline II helixtrans-70.2136.9163.4-179.50000108.2R18 Q22R18-V20 PolarHBondContact O-N 3.37Å; V20-Q22 PolarHBondContact O-N 3.33Å
21P34.8Very low39.9Very low127 Ų127137.9 Ų137.983%0.82573%0.734SS**PPolyproline II helixtrans-61.1121.4177.5-24.435.2000112.1
22Q38.7Very low41.1Very low173 Ų173136.1 Ų136.181%0.80873%0.725SS**  trans-94112.2-179.7174.4-178.8-22.100110.4V20V20-Q22 PolarHBondContact O-N 3.33Å
23R43.1Very low42.3Very low199 Ų199139.9 Ų139.975%0.75173%0.731SS**  trans47.7134164.5-73.9-175169.2125.4-1.9118.7
24S37.8Very low43.1Very low119 Ų119142.2 Ų142.283%0.83273%0.732SS**  trans-140.949.4154.9-76.10000111.6R26S24-R26 PolarHBondContact O-N 3.24Å
25D47.8Very low43.2Very low137 Ų137141.5 Ų141.573%0.73373%0.726SS**  trans-7163.3165.9-57.4-59.6000110.7
26R45.3Very low44Very low225 Ų225144.8 Ų144.885%0.84973%0.728SS**  trans-14080.1169.1-76.2-163.9171.4-152.8-3.2108.9S24 S28S24-R26 PolarHBondContact O-N 3.24Å; R26-S28 PolarHBondContact O-N 3.31Å; R26-S28 VanDerWaalsContact O-N 3.11Å
27L47.2Very low44.7Very low134 Ų134142.5 Ų142.570%0.70272%0.717SS**  trans-51.6118.8158.1-66.3178.5000107.6
28S41.8Very low46.3Very low56 Ų56145.8 Ų145.839%0.39272%0.72SS.*  trans-68.4144-169.567.70000110.6R26 G30 Q31R26-S28 PolarHBondContact O-N 3.31Å; R26-S28 VanDerWaalsContact O-N 3.11Å; S28-G30 PolarHBondContact O-N 3.06Å; S28-Q31 PolarHBondContact O-N 3.5Å; S28-Q31 WeakPolarHBondContact OG-CG 3.48Å; S28-Q31 PolarHBondContact OG-OE1 3.28Å
29A48.2Very low48.4Very low80 Ų80138.9 Ų138.966%0.66170%0.7SS**THydrogen-bonded Turntrans-62.6-4.8-18000000114.3K33A29-K33 WeakPolarHBondContact O-CE 3.35Å
30G47.6Very low50.6Low45 Ų45131.7 Ų131.746%0.46467%0.671SS.*THydrogen-bonded Turntrans-87.2-32.1169.200000114.6S28 K33S28-G30 PolarHBondContact O-N 3.06Å; G30-K33 PolarHBondContact O-N 3.32Å
31Q47.8Very low52.7Low119 Ų119129 Ų12956%0.55666%0.655SS**G310 helixtrans-70.5-36.3-178-78.1165.3-73.800112.4S28 K33S28-Q31 PolarHBondContact O-N 3.5Å; S28-Q31 WeakPolarHBondContact OG-CG 3.48Å; S28-Q31 PolarHBondContact OG-OE1 3.28Å; Q31-K33 PolarHBondContact O-N 3.25Å
32I55.3Low55.1Low101 Ų101127.6 Ų127.652%0.51864%0.638SS.*G310 helixtrans-62.7-17.6-178.8-59.1168000112.2
33K53.8Low57.2Low172 Ų172121.4 Ų121.475%0.74861%0.612SS**G310 helixtrans-90.71.9-170.6-62.6-169.5178.4-170.80116.2A29 G30 Q31A29-K33 WeakPolarHBondContact O-CE 3.35Å; G30-K33 PolarHBondContact O-N 3.32Å; Q31-K33 PolarHBondContact O-N 3.25Å
34R50.9Low59.1Low228 Ų228114.3 Ų114.386%0.8659%0.592SS**THydrogen-bonded Turntrans-131.5-9.3-176.2-70.6-165177.6101.1-3.3116.9
35T39Very low61.2Low96 Ų96115.7 Ų115.759%0.58959%0.589SS**SBendtrans-95.6142.1170.541.40000110.5C37T35-C37 PolarHBondContact O-N 2.61Å; T35-C37 PolarHBondContact O-SG 3.1Å; T35-C37 VanDerWaalsContact O-SG 3.4Å; T35-C37 PolarHBondContact OG1-SG 3.02Å
36K52.6Low63Low212 Ų212109.3 Ų109.392%0.92256%0.556SS**  trans-71.877.3167.5-173.3175.7-178.6176.40108.4K38K36-K38 PolarHBondContact O-N 3.47Å
37C53.5Low65Low75 Ų75104.5 Ų104.551%0.50755%0.545SS..  trans-62.794.2-172.7-65.80000111.2T35 I39T35-C37 PolarHBondContact O-N 2.61Å; T35-C37 PolarHBondContact O-SG 3.1Å; T35-C37 VanDerWaalsContact O-SG 3.4Å; T35-C37 PolarHBondContact OG1-SG 3.02Å; C37-I39 PolarHBondContact O-N 3.02Å
38K73.2Confident66.9Low183 Ų18399.5 Ų99.580%0.79652%0.519SS*.  trans-60.3103157.2-176-164.6177.2-160.30106.1K36 D40K36-K38 PolarHBondContact O-N 3.47Å; K38-D40 PolarHBondContact O-N 3.38Å
39I82Confident69.1Low101 Ų10197.8 Ų97.852%0.51851%0.506SS..  trans-65.1127173.2-60.4174.8000106.7C37 L48C37-I39 PolarHBondContact O-N 3.02Å; I39-L48 HydrophobicContact CG2-CD1 3.81Å; I39-L48 HydrophobicContact CG2-CD2 4.32Å; I39-L48 HydrophobicContact CG2-CG 3.9Å
40D82.4Confident71Confident54 Ų54101.2 Ų101.229%0.28951%0.514SS..  trans-71.8139173.6-158.1-37.5000109.7K38 E42 T43 S46K38-D40 PolarHBondContact O-N 3.38Å; D40-E42 PolarHBondContact OD1-N 2.97Å; D40-T43 VanDerWaalsContact CG-OG1 3.3Å; D40-T43 PolarHBondContact OD1-N 3.09Å; D40-T43 PolarHBondContact OD1-OG1 3.31Å; D40-T43 WeakPolarHBondContact OD2-CB 3.5Å; D40-T43 PolarHBondContact OD2-OG1 3.36Å; D40-S46 VanDerWaalsContact O-CB 3.26Å; D40-S46 WeakPolarHBondContact O-CB 3.38Å; D40-S46 PolarHBondContact O-OG 3.36Å
41V84.9Confident73.1Confident73 Ų73100.7 Ų100.744%0.44250%0.502SS..SBendtrans-132.68.2179.4-600000111.9L48 W109V41-L48 HydrophobicContact CG1-CD1 4Å; V41-W109 HydrophobicContact CB-CZ2 4.46Å
42E84Confident75.1Confident98 Ų98100.3 Ų100.346%0.45850%0.503SS..SBendtrans-122.1-34.4-174.8-64.7171.2172.200111.2D40 T119D40-E42 PolarHBondContact OD1-N 2.97Å; E42-T119 PolarHBondContact O-N 2.93Å
43T82.9Confident76.7Confident43 Ų4396.1 Ų96.126%0.26448%0.482SS..SBendtrans-95.4141.7-177.5-42.20000112.3D40 D45 S46D40-T43 VanDerWaalsContact CG-OG1 3.3Å; D40-T43 PolarHBondContact OD1-N 3.09Å; D40-T43 PolarHBondContact OD1-OG1 3.31Å; D40-T43 WeakPolarHBondContact OD2-CB 3.5Å; D40-T43 PolarHBondContact OD2-OG1 3.36Å; T43-D45 HydrophobicContact CG2-CB 4.05Å; T43-D45 PolarHBondContact O-N 3.17Å; T43-D45 VanDerWaalsContact O-N 3.16Å; T43-S46 VanDerWaalsContact O-CB 3.24Å; T43-S46 WeakPolarHBondContact O-CB 3.46Å; T43-S46 PolarHBondContact O-N 2.87Å
44P82.6Confident78.4Confident50 Ų5093.9 Ų93.933%0.32547%0.469SS..THydrogen-bonded Turntrans-62.5-17.3173.724.7-35.5000114.7S46 L113 A114P44-S46 PolarHBondContact O-N 2.95Å; P44-L113 WeakPolarHBondContact CA-O 3.46Å; P44-L113 VanDerWaalsContact CB-O 3.31Å; P44-L113 WeakPolarHBondContact CB-O 3.3Å; P44-A114 WeakPolarHBondContact CB-O 3.38Å
45D82.7Confident80.2Confident147 Ų14786.1 Ų86.179%0.78645%0.453SS*.THydrogen-bonded Turntrans-69.8-2.8170.9-64.4-40.5000113.1T43 I47T43-D45 HydrophobicContact CG2-CB 4.05Å; T43-D45 PolarHBondContact O-N 3.17Å; T43-D45 VanDerWaalsContact O-N 3.16Å; D45-I47 PolarHBondContact O-N 3.44Å
46S86Confident82.7Confident4 Ų486.2 Ų86.23%0.02845%0.449CS..  trans-58.8130.7174.5-179.50000112.1D40 T43 P44 L48 V49D40-S46 VanDerWaalsContact O-CB 3.26Å; D40-S46 WeakPolarHBondContact O-CB 3.38Å; D40-S46 PolarHBondContact O-OG 3.36Å; T43-S46 VanDerWaalsContact O-CB 3.24Å; T43-S46 WeakPolarHBondContact O-CB 3.46Å; T43-S46 PolarHBondContact O-N 2.87Å; P44-S46 PolarHBondContact O-N 2.95Å; S46-L48 PolarHBondContact O-N 3.31Å; S46-L48 WeakPolarHBondContact OG-CB 3.42Å; S46-L48 PolarHBondContact OG-N 3.35Å; S46-L48 VanDerWaalsContact OG-N 3.15Å; S46-V49 WeakPolarHBondContact O-CB 3.29Å; S46-V49 PolarHBondContact O-N 3.11Å; S46-V49 VanDerWaalsContact O-N 3.12Å
47I86.6Confident84.5Confident123 Ų12379.5 Ų79.563%0.63142%0.423SS*.G310 helixtrans-50.2-32.2170.6-61.9171.2000111.1D45 V49 N50 T51D45-I47 PolarHBondContact O-N 3.44Å; I47-V49 VanDerWaalsContact C-N 3.27Å; I47-V49 PolarHBondContact O-N 3.05Å; I47-N50 PolarHBondContact O-N 3.11Å; I47-T51 HydrophobicContact CG2-CG2 4.42Å
48L86.8Confident86.3Confident29 Ų2978.3 Ų78.315%0.15241%0.412CS..G310 helixtrans-62.7-29.2-176-59.9178.3000113.5I39 V41 S46 N50 T51 L53 W109 L113I39-L48 HydrophobicContact CG2-CD1 3.81Å; I39-L48 HydrophobicContact CG2-CD2 4.32Å; I39-L48 HydrophobicContact CG2-CG 3.9Å; V41-L48 HydrophobicContact CG1-CD1 4Å; S46-L48 PolarHBondContact O-N 3.31Å; S46-L48 WeakPolarHBondContact OG-CB 3.42Å; S46-L48 PolarHBondContact OG-N 3.35Å; S46-L48 VanDerWaalsContact OG-N 3.15Å; L48-N50 PolarHBondContact O-N 3.45Å; L48-N50 VanDerWaalsContact O-N 3.14Å; L48-T51 WeakPolarHBondContact CA-OG1 3.16Å; L48-T51 PolarHBondContact O-N 2.97Å; L48-T51 PolarHBondContact O-OG1 2.95Å; L48-L53 HydrophobicContact CD2-CD2 4.39Å; L48-W109 HydrophobicContact CB-CH2 4.37Å; L48-W109 HydrophobicContact CB-CZ3 4.25Å; L48-W109 HydrophobicContact CD1-CH2 3.8Å; L48-W109 HydrophobicContact CD1-CZ3 4.33Å; L48-L113 HydrophobicContact CB-CD2 4.15Å
49V88.4Confident87.1Confident20 Ų2075.5 Ų75.512%0.12140%0.399CS..G310 helixtrans-53.3-35.5176.2168.40000112.1S46 I47 K110 L113 A114S46-V49 WeakPolarHBondContact O-CB 3.29Å; S46-V49 PolarHBondContact O-N 3.11Å; S46-V49 VanDerWaalsContact O-N 3.12Å; I47-V49 VanDerWaalsContact C-N 3.27Å; I47-V49 PolarHBondContact O-N 3.05Å; V49-K110 WeakPolarHBondContact O-CD 3.35Å; V49-K110 WeakPolarHBondContact O-CE 3.39Å; V49-K110 WeakPolarHBondContact O-CG 3.47Å; V49-L113 HydrophobicContact CG2-CB 4.15Å; V49-L113 HydrophobicContact CG2-CD2 3.83Å; V49-L113 HydrophobicContact CG2-CG 3.66Å; V49-A114 HydrophobicContact CG1-CB 3.59Å; V49-A114 HydrophobicContact CG2-CB 4.19Å
50N87.9Confident87.5Confident152 Ų15277.3 Ų77.381%0.81341%0.405SS*.G310 helixtrans-10011.6-178.9-68.5-60.9000113.6I47 L48I47-N50 PolarHBondContact O-N 3.11Å; L48-N50 PolarHBondContact O-N 3.45Å; L48-N50 VanDerWaalsContact O-N 3.14Å
51T91.3Very high88Confident35 Ų3577.5 Ų77.522%0.21541%0.409CS..SBendtrans-98.2155.2178.864.50000113.5I47 L48 L53 K110I47-T51 HydrophobicContact CG2-CG2 4.42Å; L48-T51 WeakPolarHBondContact CA-OG1 3.16Å; L48-T51 PolarHBondContact O-N 2.97Å; L48-T51 PolarHBondContact O-OG1 2.95Å; T51-L53 PolarHBondContact O-N 3.42Å; T51-L53 VanDerWaalsContact OG1-CD2 3.3Å; T51-L53 WeakPolarHBondContact OG1-CD2 3.44Å; T51-K110 WeakPolarHBondContact O-CD 3.44Å
52N90.1Very high88.3Confident110 Ų11075.2 Ų75.259%0.58839%0.393SS*.  trans-89.389.9168-170.5-38.5000109.5R54 A55 L56N52-R54 VanDerWaalsContact C-N 3.28Å; N52-R54 PolarHBondContact O-N 3.47Å; N52-R54 PolarHBondContact OD1-N 3.31Å; N52-A55 HydrophobicContact CB-CB 4.12Å; N52-A55 PolarHBondContact O-N 3.09Å; N52-A55 VanDerWaalsContact O-N 3.13Å; N52-A55 PolarHBondContact OD1-N 3.05Å; N52-L56 PolarHBondContact O-N 2.83Å
53L90.1Very high88.6Confident13 Ų1373.5 Ų73.57%0.06839%0.392CS..Hα-helixtrans-62.6-31.2-176.8-62.4171.5000113.1L48 T51 L56 I57 A106 W109 K110L48-L53 HydrophobicContact CD2-CD2 4.39Å; T51-L53 PolarHBondContact O-N 3.42Å; T51-L53 VanDerWaalsContact OG1-CD2 3.3Å; T51-L53 WeakPolarHBondContact OG1-CD2 3.44Å; L53-L56 PolarHBondContact O-N 3.28Å; L53-I57 WeakPolarHBondContact O-CB 3.45Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 3.45Å; L53-A106 HydrophobicContact CB-CB 4.19Å; L53-W109 HydrophobicContact CD1-CE3 3.43Å; L53-W109 VanDerWaalsContact CD1-CE3 3.43Å; L53-W109 HydrophobicContact CD1-CZ3 3.57Å; L53-W109 HydrophobicContact CD2-CZ3 4.47Å; L53-K110 HydrophobicContact CD1-CB 3.94Å; L53-K110 HydrophobicContact CD1-CD 4.48Å; L53-K110 HydrophobicContact CD1-CG 4.21Å
54R88.4Confident89.1Confident126 Ų12676.5 Ų76.548%0.47541%0.41SS..Hα-helixtrans-65.5-38173.9177.6177.2173.5-100.3-5112.2N52 N98N52-R54 VanDerWaalsContact C-N 3.28Å; N52-R54 PolarHBondContact O-N 3.47Å; N52-R54 PolarHBondContact OD1-N 3.31Å; R54-N98 PolarHBondContact NH2-OD1 3.12Å
55A89.1Confident89.6Confident64 Ų6477.3 Ų77.353%0.52941%0.411SS..Hα-helixtrans-71.6-35.3174.300000111.8N52 N58N52-A55 HydrophobicContact CB-CB 4.12Å; N52-A55 PolarHBondContact O-N 3.09Å; N52-A55 VanDerWaalsContact O-N 3.13Å; N52-A55 PolarHBondContact OD1-N 3.05Å; A55-N58 PolarHBondContact O-ND2 3.24Å
56L90.4Very high90.1Very high98 Ų9874 Ų7451%0.51340%0.397SS..Hα-helixtrans-76.1-38.7-177.8-167.3116.6000113.5N52 L53 T61N52-L56 PolarHBondContact O-N 2.83Å; L53-L56 PolarHBondContact O-N 3.28Å; L56-T61 PolarHBondContact O-OG1 3Å; L56-T61 VanDerWaalsContact O-OG1 3.13Å
57I91.8Very high90.3Very high72 Ų7277.9 Ų77.937%0.36942%0.423SS..SBendtrans-101.983.8-178.5-51.2172.4000108.8L53 L97 F102L53-I57 WeakPolarHBondContact O-CB 3.45Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 3.45Å; I57-L97 HydrophobicContact CG2-CD2 4.49Å; I57-F102 HydrophobicContact CB-CE1 4.41Å; I57-F102 HydrophobicContact CB-CZ 3.98Å; I57-F102 HydrophobicContact CD1-CZ 4.44Å; I57-F102 HydrophobicContact CG2-CE1 4.43Å; I57-F102 HydrophobicContact CG2-CZ 3.75Å
58N91.1Very high90.5Very high50 Ų5077.5 Ų77.527%0.26742%0.422SS..  trans-124.6169.3-178.569.464.4000112.3A55 H60 T61 F62A55-N58 PolarHBondContact O-ND2 3.24Å; N58-H60 VanDerWaalsContact C-N 3.28Å; N58-H60 PolarHBondContact O-N 3Å; N58-H60 WeakPolarHBondContact OD1-CA 3.43Å; N58-H60 WeakPolarHBondContact OD1-CB 3.25Å; N58-H60 PolarHBondContact OD1-N 3.47Å; N58-T61 VanDerWaalsContact CG-OG1 3.28Å; N58-T61 PolarHBondContact N-OG1 3.01Å; N58-T61 PolarHBondContact ND2-OG1 3.03Å; N58-T61 PolarHBondContact O-N 3.48Å; N58-T61 PolarHBondContact O-OG1 3.02Å; N58-T61 PolarHBondContact OD1-N 2.85Å; N58-T61 PolarHBondContact OD1-OG1 2.86Å; N58-F62 WeakPolarHBondContact O-CB 3.45Å; N58-F62 PolarHBondContact O-N 3.19Å
59K90.3Very high90.7Very high123 Ų12378.7 Ų78.754%0.53543%0.432SS..Hα-helixtrans-59.3-32.4-178.4178.3172.9174.6-69.90113.7S63K59-S63 WeakPolarHBondContact O-CB 3.36Å; K59-S63 PolarHBondContact O-N 2.95Å; K59-S63 VanDerWaalsContact O-N 3.1Å; K59-S63 PolarHBondContact O-OG 2.9Å
60H90.1Very high90.9Very high139 Ų13979.9 Ų79.964%0.64444%0.436SS*.Hα-helixtrans-71.5-50.2176.7171.561.1000110.8N58 F62 S63 V64N58-H60 VanDerWaalsContact C-N 3.28Å; N58-H60 PolarHBondContact O-N 3Å; N58-H60 WeakPolarHBondContact OD1-CA 3.43Å; N58-H60 WeakPolarHBondContact OD1-CB 3.25Å; N58-H60 PolarHBondContact OD1-N 3.47Å; H60-F62 PolarHBondContact O-N 3.37Å; H60-S63 WeakPolarHBondContact O-CB 3.42Å; H60-S63 PolarHBondContact O-N 3.4Å; H60-V64 WeakPolarHBondContact O-CG2 3.26Å; H60-V64 PolarHBondContact O-N 2.96Å; H60-V64 VanDerWaalsContact O-N 3.15Å
61T92Very high91.1Very high58 Ų5874.1 Ų74.136%0.35641%0.405SS..Hα-helixtrans-58.8-35.2174.943.80000112.9L56 N58 V64L56-T61 PolarHBondContact O-OG1 3Å; L56-T61 VanDerWaalsContact O-OG1 3.13Å; N58-T61 VanDerWaalsContact CG-OG1 3.28Å; N58-T61 PolarHBondContact N-OG1 3.01Å; N58-T61 PolarHBondContact ND2-OG1 3.03Å; N58-T61 PolarHBondContact O-N 3.48Å; N58-T61 PolarHBondContact O-OG1 3.02Å; N58-T61 PolarHBondContact OD1-N 2.85Å; N58-T61 PolarHBondContact OD1-OG1 2.86Å; T61-V64 PolarHBondContact O-N 2.74Å
62F91.8Very high91.2Very high25 Ų2579.3 Ų79.311%0.1142%0.424CS..Hα-helixtrans-64-42.7172.5-176.9-83.8000112N58 H60 V64 L65 Q70 L73 V74 V92 L97N58-F62 WeakPolarHBondContact O-CB 3.45Å; N58-F62 PolarHBondContact O-N 3.19Å; H60-F62 PolarHBondContact O-N 3.37Å; F62-V64 PolarHBondContact O-N 3.06Å; F62-L65 WeakPolarHBondContact O-CB 3.38Å; F62-L65 PolarHBondContact O-N 3.43Å; F62-L65 VanDerWaalsContact O-N 3.14Å; F62-Q70 HydrophobicContact CD1-CG 4.11Å; F62-Q70 HydrophobicContact CE1-CB 3.64Å; F62-Q70 HydrophobicContact CE1-CG 3.57Å; F62-Q70 HydrophobicContact CZ-CB 3.62Å; F62-Q70 HydrophobicContact CZ-CG 3.91Å; F62-Q70 PolarHBondContact O-NE2 3.04Å; F62-L73 HydrophobicContact CD2-CD1 4.33Å; F62-L73 HydrophobicContact CE2-CB 3.73Å; F62-L73 HydrophobicContact CE2-CD1 3.99Å; F62-L73 HydrophobicContact CZ-CB 4.41Å; F62-V74 HydrophobicContact CE1-CG2 4.46Å; F62-V74 HydrophobicContact CZ-CG2 3.71Å; F62-V92 HydrophobicContact CD1-CG2 4.03Å; F62-V92 HydrophobicContact CD2-CG2 4.26Å; F62-V92 HydrophobicContact CE1-CG2 3.5Å; F62-V92 HydrophobicContact CE2-CG2 3.74Å; F62-V92 HydrophobicContact CG-CG2 4.4Å; F62-V92 HydrophobicContact CZ-CG2 3.34Å; F62-L97 HydrophobicContact CB-CD1 4.12Å; F62-L97 HydrophobicContact CD2-CD1 4.48Å; F62-L97 HydrophobicContact CG-CD1 4.47Å
63S90.6Very high91.3Very high63 Ų6377.6 Ų77.644%0.44141%0.414SS..Hα-helixtrans-69.8-17.3-178.4-55.70000113.4K59 H60 Q70K59-S63 WeakPolarHBondContact O-CB 3.36Å; K59-S63 PolarHBondContact O-N 2.95Å; K59-S63 VanDerWaalsContact O-N 3.1Å; K59-S63 PolarHBondContact O-OG 2.9Å; H60-S63 WeakPolarHBondContact O-CB 3.42Å; H60-S63 PolarHBondContact O-N 3.4Å; S63-Q70 PolarHBondContact O-NE2 3.29Å
64V93.8Very high91.4Very high105 Ų10577 Ų7764%0.63641%0.411SS*.THydrogen-bonded Turntrans-82.4-13.5174.7172.80000112.2H60 T61 F62H60-V64 WeakPolarHBondContact O-CG2 3.26Å; H60-V64 PolarHBondContact O-N 2.96Å; H60-V64 VanDerWaalsContact O-N 3.15Å; T61-V64 PolarHBondContact O-N 2.74Å; F62-V64 PolarHBondContact O-N 3.06Å
65L92.1Very high91.5Very high68 Ų6877 Ų7736%0.35642%0.415SS..SBendtrans-75.3151176.9-59.7177.1000111.9F62 C69 Q70 L73F62-L65 WeakPolarHBondContact O-CB 3.38Å; F62-L65 PolarHBondContact O-N 3.43Å; F62-L65 VanDerWaalsContact O-N 3.14Å; L65-C69 HydrophobicContact CB-CB 4.34Å; L65-Q70 HydrophobicContact CB-CG 4.09Å; L65-Q70 PolarHBondContact O-NE2 3.17Å; L65-L73 HydrophobicContact CD1-CD1 3.5Å
66P93.9Very high91.7Very high76 Ų7680.8 Ų80.849%0.49443%0.425SS..  trans-56.7147172.8-25.534.8000112.7D68 C69 Q70P66-D68 VanDerWaalsContact C-N 3.3Å; P66-D68 PolarHBondContact O-N 3.2Å; P66-C69 WeakPolarHBondContact O-CA 3.46Å; P66-C69 WeakPolarHBondContact O-CB 3.39Å; P66-C69 PolarHBondContact O-N 3Å; P66-Q70 PolarHBondContact O-N 3.39Å
67P89.1Confident91.8Very high87 Ų8777.8 Ų77.857%0.56541%0.409SS*.Hα-helixtrans-53.7-40-177-29.336.3000114.4C69 Q70 Q71P67-C69 VanDerWaalsContact C-N 3.29Å; P67-C69 PolarHBondContact O-N 3.47Å; P67-Q70 WeakPolarHBondContact O-CB 3.41Å; P67-Q70 PolarHBondContact O-N 3.46Å; P67-Q71 WeakPolarHBondContact O-CG 3.33Å; P67-Q71 PolarHBondContact O-N 3.32Å
68D91.3Very high91.7Very high115 Ų11577.9 Ų77.962%0.61542%0.415SS*.Hα-helixtrans-62.9-35.9177.1-58.3-51.2000112.9P66 K72P66-D68 VanDerWaalsContact C-N 3.3Å; P66-D68 PolarHBondContact O-N 3.2Å; D68-K72 WeakPolarHBondContact O-CD 3.5Å; D68-K72 WeakPolarHBondContact O-CG 3.42Å; D68-K72 PolarHBondContact O-N 3.25Å; D68-K72 VanDerWaalsContact O-N 3.1Å
69C91.6Very high91.6Very high54 Ų5483.3 Ų83.337%0.36544%0.439SS..Hα-helixtrans-71.4-42.3174.9-64.90000110.4L65 P66 P67 Q71 K72 L73L65-C69 HydrophobicContact CB-CB 4.34Å; P66-C69 WeakPolarHBondContact O-CA 3.46Å; P66-C69 WeakPolarHBondContact O-CB 3.39Å; P66-C69 PolarHBondContact O-N 3Å; P67-C69 VanDerWaalsContact C-N 3.29Å; P67-C69 PolarHBondContact O-N 3.47Å; C69-Q71 PolarHBondContact O-N 2.93Å; C69-K72 PolarHBondContact O-N 3.18Å; C69-L73 VanDerWaalsContact O-CG 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.43Å; C69-L73 PolarHBondContact O-N 3.38Å
70Q92.7Very high91.3Very high45 Ų4583.4 Ų83.421%0.2145%0.449CS..Hα-helixtrans-56.5-50.7172.8-64.4-173.729.500110.7F62 S63 L65 P66 P67 K72 L73 V74F62-Q70 HydrophobicContact CD1-CG 4.11Å; F62-Q70 HydrophobicContact CE1-CB 3.64Å; F62-Q70 HydrophobicContact CE1-CG 3.57Å; F62-Q70 HydrophobicContact CZ-CB 3.62Å; F62-Q70 HydrophobicContact CZ-CG 3.91Å; F62-Q70 PolarHBondContact O-NE2 3.04Å; S63-Q70 PolarHBondContact O-NE2 3.29Å; L65-Q70 HydrophobicContact CB-CG 4.09Å; L65-Q70 PolarHBondContact O-NE2 3.17Å; P66-Q70 PolarHBondContact O-N 3.39Å; P67-Q70 WeakPolarHBondContact O-CB 3.41Å; P67-Q70 PolarHBondContact O-N 3.46Å; Q70-K72 PolarHBondContact O-N 3.41Å; Q70-L73 PolarHBondContact O-N 3.4Å; Q70-V74 VanDerWaalsContact O-CG2 3.31Å; Q70-V74 WeakPolarHBondContact O-CG2 3.15Å; Q70-V74 PolarHBondContact O-N 3.44Å
71Q91.8Very high91.3Very high31 Ų3177.7 Ų77.715%0.14542%0.424CS..Hα-helixtrans-61.8-38.2180-69.9-48.2-6900113.7P67 C69 L73 K75 L89 L90P67-Q71 WeakPolarHBondContact O-CG 3.33Å; P67-Q71 PolarHBondContact O-N 3.32Å; C69-Q71 PolarHBondContact O-N 2.93Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-K75 VanDerWaalsContact O-CG 3.28Å; Q71-K75 WeakPolarHBondContact O-CG 3.29Å; Q71-K75 PolarHBondContact O-N 2.99Å; Q71-L89 HydrophobicContact CG-CD1 3.74Å; Q71-L89 HydrophobicContact CG-CG 4.39Å; Q71-L90 PolarHBondContact NE2-O 3.26Å; Q71-L90 PolarHBondContact OE1-O 3.19Å
72K92.8Very high91.3Very high143 Ų14379 Ų7962%0.62242%0.422SS*.Hα-helixtrans-63.7-38.1173.9-72.9163.2-171.2168.70111.5D68 C69 Q70D68-K72 WeakPolarHBondContact O-CD 3.5Å; D68-K72 WeakPolarHBondContact O-CG 3.42Å; D68-K72 PolarHBondContact O-N 3.25Å; D68-K72 VanDerWaalsContact O-N 3.1Å; C69-K72 PolarHBondContact O-N 3.18Å; Q70-K72 PolarHBondContact O-N 3.41Å
73L92.4Very high91.1Very high74 Ų7482.9 Ų82.939%0.38744%0.44SS..Hα-helixtrans-74.6-41.5178.3-68.4169000113.2F62 L65 C69 Q70 Q71 K75 L76 L77F62-L73 HydrophobicContact CD2-CD1 4.33Å; F62-L73 HydrophobicContact CE2-CB 3.73Å; F62-L73 HydrophobicContact CE2-CD1 3.99Å; F62-L73 HydrophobicContact CZ-CB 4.41Å; L65-L73 HydrophobicContact CD1-CD1 3.5Å; C69-L73 VanDerWaalsContact O-CG 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.43Å; C69-L73 PolarHBondContact O-N 3.38Å; Q70-L73 PolarHBondContact O-N 3.4Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.39Å; L73-L76 WeakPolarHBondContact O-CB 3.44Å; L73-L76 PolarHBondContact O-N 3.25Å; L73-L77 PolarHBondContact O-N 3.25Å
74V93.1Very high90.8Very high0 Ų083.2 Ų83.20%045%0.447CS..Hα-helixtrans-61.5-34.1176.9-171.20000111.3F62 Q70 L76 L77 R82 L90 V92F62-V74 HydrophobicContact CE1-CG2 4.46Å; F62-V74 HydrophobicContact CZ-CG2 3.71Å; Q70-V74 VanDerWaalsContact O-CG2 3.31Å; Q70-V74 WeakPolarHBondContact O-CG2 3.15Å; Q70-V74 PolarHBondContact O-N 3.44Å; V74-L76 PolarHBondContact O-N 2.86Å; V74-L77 PolarHBondContact O-N 3.49Å; V74-L77 VanDerWaalsContact O-N 3.16Å; V74-R82 HydrophobicContact CG1-CB 4.2Å; V74-R82 HydrophobicContact CG1-CG 3.91Å; V74-R82 PolarHBondContact O-NE 2.75Å; V74-L90 HydrophobicContact CB-CB 4.27Å; V74-L90 HydrophobicContact CG1-CB 3.83Å; V74-V92 HydrophobicContact CG2-CG2 3.6Å
75K90.9Very high90.1Very high128 Ų12880 Ų8056%0.55743%0.429SS*.THydrogen-bonded Turntrans-66.2-12.1175-71.9173.4-177.4-176.20114.4Q71 L73 R82 L90Q71-K75 VanDerWaalsContact O-CG 3.28Å; Q71-K75 WeakPolarHBondContact O-CG 3.29Å; Q71-K75 PolarHBondContact O-N 2.99Å; L73-K75 PolarHBondContact O-N 3.39Å; K75-R82 PolarHBondContact O-NH2 2.87Å; K75-L90 HydrophobicContact CG-CD1 4.21Å
76L92.8Very high89.2Confident143 Ų14385.5 Ų85.575%0.74946%0.457SS*.THydrogen-bonded Turntrans-97.8-14.2174.3-60.9174.9000113.6L73 V74L73-L76 WeakPolarHBondContact O-CB 3.44Å; L73-L76 PolarHBondContact O-N 3.25Å; V74-L76 PolarHBondContact O-N 2.86Å
77L91.4Very high88.5Confident34 Ų3488.1 Ų88.118%0.17847%0.467CS..SBendtrans-74.4155.2177.4-64.6178.6000111.6L73 V74 D81 R82 V92L73-L77 PolarHBondContact O-N 3.25Å; V74-L77 PolarHBondContact O-N 3.49Å; V74-L77 VanDerWaalsContact O-N 3.16Å; L77-D81 HydrophobicContact CB-CB 4.04Å; L77-D81 HydrophobicContact CD1-CB 4.36Å; L77-R82 VanDerWaalsContact O-CZ 3.23Å; L77-R82 PolarHBondContact O-NE 3.43Å; L77-R82 PolarHBondContact O-NH2 3.36Å; L77-V92 HydrophobicContact CD1-CB 4.42Å; L77-V92 HydrophobicContact CD1-CG1 3.95Å; L77-V92 HydrophobicContact CD1-CG2 3.88Å
78P89.9Confident88Confident74 Ų7487.4 Ų87.448%0.48148%0.476SS..  trans-51.1150.4166.4-25.735.3000111.9V80 D81 R82P78-V80 VanDerWaalsContact C-N 3.27Å; P78-V80 HydrophobicContact CB-CG2 3.97Å; P78-V80 PolarHBondContact O-N 3.42Å; P78-D81 WeakPolarHBondContact CD-OD2 3.45Å; P78-D81 WeakPolarHBondContact CG-OD2 3.38Å; P78-D81 WeakPolarHBondContact O-CB 3.25Å; P78-D81 PolarHBondContact O-N 2.92Å; P78-R82 WeakPolarHBondContact O-CG 3.31Å
79E88.6Confident87.4Confident165 Ų16586 Ų8677%0.77147%0.468SS*.G310 helixtrans-60.2-37-176.6-172.9161.8-153.200112.9D81 R82E79-D81 PolarHBondContact O-N 3.17Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 3.07Å
80V85.6Confident87.1Confident125 Ų12585.8 Ų85.876%0.75846%0.463SS*.G310 helixtrans-60.7-22174-62.60000114.4P78P78-V80 VanDerWaalsContact C-N 3.27Å; P78-V80 HydrophobicContact CB-CG2 3.97Å; P78-V80 PolarHBondContact O-N 3.42Å
81D89.5Confident86.8Confident19 Ų1989.8 Ų89.810%0.10248%0.48CS..G310 helixtrans-93.22178.9-72-46.1000112.8L77 P78 E79 T93 A96L77-D81 HydrophobicContact CB-CB 4.04Å; L77-D81 HydrophobicContact CD1-CB 4.36Å; P78-D81 WeakPolarHBondContact CD-OD2 3.45Å; P78-D81 WeakPolarHBondContact CG-OD2 3.38Å; P78-D81 WeakPolarHBondContact O-CB 3.25Å; P78-D81 PolarHBondContact O-N 2.92Å; E79-D81 PolarHBondContact O-N 3.17Å; D81-T93 VanDerWaalsContact C-OG1 3.25Å; D81-T93 PolarHBondContact O-N 3Å; D81-T93 PolarHBondContact O-OG1 3.44Å; D81-A96 HydrophobicContact CB-CB 3.6Å; D81-A96 VanDerWaalsContact OD1-CA 3.26Å; D81-A96 WeakPolarHBondContact OD1-CA 3.41Å; D81-A96 VanDerWaalsContact OD1-CB 3.23Å; D81-A96 WeakPolarHBondContact OD1-CB 3.33Å
82R90.8Very high86.7Confident85 Ų8589.2 Ų89.232%0.32148%0.478SS..EExtended strand (participates in β ladder)trans-103.5110.1178.3-51.5176.3-169-162.5-4.2110.3V74 K75 L77 P78 E79 L90V74-R82 HydrophobicContact CG1-CB 4.2Å; V74-R82 HydrophobicContact CG1-CG 3.91Å; V74-R82 PolarHBondContact O-NE 2.75Å; K75-R82 PolarHBondContact O-NH2 2.87Å; L77-R82 VanDerWaalsContact O-CZ 3.23Å; L77-R82 PolarHBondContact O-NE 3.43Å; L77-R82 PolarHBondContact O-NH2 3.36Å; P78-R82 WeakPolarHBondContact O-CG 3.31Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 3.07Å; R82-L90 HydrophobicContact CB-CD2 4.32Å
83Q88.2Confident86.5Confident107 Ų10783.9 Ų83.950%0.546%0.457SS..EExtended strand (participates in β ladder)trans-85.4116.7167.4-178.960.86500109.5C85 K91 T93Q83-C85 PolarHBondContact O-N 2.88Å; Q83-K91 HydrophobicContact CB-CB 4.35Å; Q83-K91 PolarHBondContact N-O 3.4Å; Q83-K91 WeakPolarHBondContact O-CB 3.46Å; Q83-K91 PolarHBondContact O-N 3.47Å; Q83-T93 PolarHBondContact N-OG1 3.14Å
84A84.6Confident85.9Confident69 Ų6985.2 Ų85.257%0.5747%0.473SS*.EExtended strand (participates in β ladder)trans-64.7127.116400000109.3
85C78.9Confident85.6Confident39 Ų3988.2 Ų88.226%0.26449%0.494SS..PPolyproline II helixtrans-94.4158.3172.5-151.10000110.3Q83 D87 G88 L89Q83-C85 PolarHBondContact O-N 2.88Å; C85-D87 PolarHBondContact O-N 3.25Å; C85-D87 PolarHBondContact SG-OD2 3.04Å; C85-G88 PolarHBondContact O-N 3.36Å; C85-G88 VanDerWaalsContact O-N 3.08Å; C85-L89 WeakPolarHBondContact CB-O 3.3Å; C85-L89 PolarHBondContact N-O 3.01Å
86L73.9Confident85.5Confident182 Ų18282.3 Ų82.395%0.95347%0.469SS*.THydrogen-bonded Turntrans-60.4-27.2178.8-65.1172000112.3G88L86-G88 PolarHBondContact O-N 3.06Å; L86-G88 VanDerWaalsContact O-N 3.11Å
87D78.6Confident85.2Confident132 Ų13276.5 Ų76.571%0.70644%0.439SS*.THydrogen-bonded Turntrans-749.2177-34-72.3000113.5C85 L89C85-D87 PolarHBondContact O-N 3.25Å; C85-D87 PolarHBondContact SG-OD2 3.04Å; D87-L89 HydrophobicContact CB-CB 4.44Å; D87-L89 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact O-N 3.08Å
88G77.6Confident85.1Confident72 Ų7279.8 Ų79.874%0.74246%0.456SS*.SBendtrans69.6-3.3-171.400000114.7C85 L86C85-G88 PolarHBondContact O-N 3.36Å; C85-G88 VanDerWaalsContact O-N 3.08Å; L86-G88 PolarHBondContact O-N 3.06Å; L86-G88 VanDerWaalsContact O-N 3.11Å
89L78.6Confident85.1Confident86 Ų8678.6 Ų78.645%0.4545%0.446SS..  trans-85.5137.4-174.1-159.969.8000111.6Q71 C85 D87Q71-L89 HydrophobicContact CG-CD1 3.74Å; Q71-L89 HydrophobicContact CG-CG 4.39Å; C85-L89 WeakPolarHBondContact CB-O 3.3Å; C85-L89 PolarHBondContact N-O 3.01Å; D87-L89 HydrophobicContact CB-CB 4.44Å; D87-L89 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact O-N 3.08Å
90L86.1Confident85.2Confident49 Ų4977.2 Ų77.226%0.25744%0.439SS..EExtended strand (participates in β ladder)trans-81.3124.6179.6-70.6164.3000110.4Q71 V74 K75 R82Q71-L90 PolarHBondContact NE2-O 3.26Å; Q71-L90 PolarHBondContact OE1-O 3.19Å; V74-L90 HydrophobicContact CB-CB 4.27Å; V74-L90 HydrophobicContact CG1-CB 3.83Å; K75-L90 HydrophobicContact CG-CD1 4.21Å; R82-L90 HydrophobicContact CB-CD2 4.32Å
91K86.6Confident85.5Confident129 Ų12978.1 Ų78.156%0.56143%0.434SS*.EExtended strand (participates in β ladder)trans-117.1154-177-161.1169.3-170.7167.50110.2Q83Q83-K91 HydrophobicContact CB-CB 4.35Å; Q83-K91 PolarHBondContact N-O 3.4Å; Q83-K91 WeakPolarHBondContact O-CB 3.46Å; Q83-K91 PolarHBondContact O-N 3.47Å
92V89.2Confident85.7Confident19 Ų1979.6 Ų79.612%0.11544%0.439CS..EExtended strand (participates in β ladder)trans-78.9127.5176.5-177.60000109.8F62 V74 L77 A96 L97F62-V92 HydrophobicContact CD1-CG2 4.03Å; F62-V92 HydrophobicContact CD2-CG2 4.26Å; F62-V92 HydrophobicContact CE1-CG2 3.5Å; F62-V92 HydrophobicContact CE2-CG2 3.74Å; F62-V92 HydrophobicContact CG-CG2 4.4Å; F62-V92 HydrophobicContact CZ-CG2 3.34Å; V74-V92 HydrophobicContact CG2-CG2 3.6Å; L77-V92 HydrophobicContact CD1-CB 4.42Å; L77-V92 HydrophobicContact CD1-CG1 3.95Å; L77-V92 HydrophobicContact CD1-CG2 3.88Å; V92-A96 HydrophobicContact CG1-CB 3.73Å; V92-L97 HydrophobicContact CG1-CD1 4.39Å; V92-L97 HydrophobicContact CG1-CG 4.17Å
93T88.7Confident85.7Confident30 Ų3076.9 Ų76.918%0.18444%0.435CS..  trans-61.3144.1173.5-54.40000110.5D81 Q83 S95 A96D81-T93 VanDerWaalsContact C-OG1 3.25Å; D81-T93 PolarHBondContact O-N 3Å; D81-T93 PolarHBondContact O-OG1 3.44Å; Q83-T93 PolarHBondContact N-OG1 3.14Å; T93-S95 WeakPolarHBondContact CG2-OG 3.19Å; T93-S95 PolarHBondContact O-N 3.4Å; T93-S95 VanDerWaalsContact O-N 3.12Å; T93-A96 WeakPolarHBondContact O-CB 3.42Å; T93-A96 PolarHBondContact O-N 2.84Å; T93-A96 VanDerWaalsContact O-N 3.11Å
94S81.3Confident86Confident102 Ų10275.4 Ų75.471%0.71344%0.437SS*.THydrogen-bonded Turntrans-59.4-26.8-173.849.50000114.6
95S86.8Confident86.5Confident64 Ų6475 Ų7545%0.44843%0.433SS..THydrogen-bonded Turntrans-83.4-26.4177.446.90000114.6T93 L97 N98 N99T93-S95 WeakPolarHBondContact CG2-OG 3.19Å; T93-S95 PolarHBondContact O-N 3.4Å; T93-S95 VanDerWaalsContact O-N 3.12Å; S95-L97 PolarHBondContact O-N 2.86Å; S95-N98 CarbonylContact O-C 3.49Å; S95-N98 WeakPolarHBondContact O-CA 3.38Å; S95-N98 PolarHBondContact O-N 3.37Å; S95-N99 PolarHBondContact O-N 3.32Å; S95-N99 VanDerWaalsContact O-N 3.12Å
96A87.5Confident87.1Confident4 Ų473.7 Ų73.73%0.03343%0.425CS..G310 helixtrans-54-50-164.400000114.1D81 V92 T93 N98 N99D81-A96 HydrophobicContact CB-CB 3.6Å; D81-A96 VanDerWaalsContact OD1-CA 3.26Å; D81-A96 WeakPolarHBondContact OD1-CA 3.41Å; D81-A96 VanDerWaalsContact OD1-CB 3.23Å; D81-A96 WeakPolarHBondContact OD1-CB 3.33Å; V92-A96 HydrophobicContact CG1-CB 3.73Å; T93-A96 WeakPolarHBondContact O-CB 3.42Å; T93-A96 PolarHBondContact O-N 2.84Å; T93-A96 VanDerWaalsContact O-N 3.11Å; A96-N98 VanDerWaalsContact C-N 3.26Å; A96-N98 PolarHBondContact O-N 2.68Å; A96-N99 WeakPolarHBondContact O-CB 3.4Å
97L86.9Confident88.1Confident20 Ų2068.9 Ų68.911%0.10540%0.398CS..G310 helixtrans-84.65.3-179.9-57.7178.9000113.7I57 F62 V92 S95 F102I57-L97 HydrophobicContact CG2-CD2 4.49Å; F62-L97 HydrophobicContact CB-CD1 4.12Å; F62-L97 HydrophobicContact CD2-CD1 4.48Å; F62-L97 HydrophobicContact CG-CD1 4.47Å; V92-L97 HydrophobicContact CG1-CD1 4.39Å; V92-L97 HydrophobicContact CG1-CG 4.17Å; S95-L97 PolarHBondContact O-N 2.86Å; L97-F102 HydrophobicContact CD2-CE1 4.36Å; L97-F102 HydrophobicContact CD2-CE2 4.26Å; L97-F102 HydrophobicContact CD2-CZ 4.13Å; L97-F102 WeakPolarHBondContact O-CD1 3.49Å
98N88.8Confident88.8Confident103 Ų10364.1 Ų64.155%0.55138%0.375SS*.G310 helixtrans-12110.6176.4-165.838.2000112.5R54 S95 A96R54-N98 PolarHBondContact NH2-OD1 3.12Å; S95-N98 CarbonylContact O-C 3.49Å; S95-N98 WeakPolarHBondContact O-CA 3.38Å; S95-N98 PolarHBondContact O-N 3.37Å; A96-N98 VanDerWaalsContact C-N 3.26Å; A96-N98 PolarHBondContact O-N 2.68Å
99N90.5Very high89.5Confident49 Ų4964.7 Ų64.726%0.26235%0.354SS..  trans-74.1147.1-177.6-166.3-24000111.6S95 A96 F101 F102 A103S95-N99 PolarHBondContact O-N 3.32Å; S95-N99 VanDerWaalsContact O-N 3.12Å; A96-N99 WeakPolarHBondContact O-CB 3.4Å; N99-F101 VanDerWaalsContact C-N 3.28Å; N99-F101 PolarHBondContact O-N 3.48Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.4Å; N99-F101 PolarHBondContact OD1-N 3.08Å; N99-F102 HydrophobicContact CB-CB 4.14Å; N99-F102 PolarHBondContact O-N 3.12Å; N99-A103 PolarHBondContact O-N 3.29Å
100E91Very high90.3Very high136 Ų13662.6 Ų62.664%0.63634%0.342SS*.Hα-helixtrans-62.3-35.5173.866.9-175164.900112A103 S104E100-A103 PolarHBondContact O-N 2.93Å; E100-S104 VanDerWaalsContact O-CB 3.29Å; E100-S104 WeakPolarHBondContact O-CB 3.46Å; E100-S104 PolarHBondContact O-N 3.33Å; E100-S104 PolarHBondContact O-OG 2.91Å
101F91.8Very high90.6Very high145 Ų14564.4 Ų64.464%0.63635%0.349SS*.Hα-helixtrans-65.8-39.7174.6-59.7-63.8000111.4N99 A105N99-F101 VanDerWaalsContact C-N 3.28Å; N99-F101 PolarHBondContact O-N 3.48Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.4Å; N99-F101 PolarHBondContact OD1-N 3.08Å; F101-A105 WeakPolarHBondContact O-CB 3.38Å; F101-A105 PolarHBondContact O-N 3.06Å
102F93.1Very high90.8Very high49 Ų4963.5 Ų63.522%0.21534%0.342CS..Hα-helixtrans-67.5-42.9175.2179.4-106.9000111.7I57 L97 N99 S104 A105 A106I57-F102 HydrophobicContact CB-CE1 4.41Å; I57-F102 HydrophobicContact CB-CZ 3.98Å; I57-F102 HydrophobicContact CD1-CZ 4.44Å; I57-F102 HydrophobicContact CG2-CE1 4.43Å; I57-F102 HydrophobicContact CG2-CZ 3.75Å; L97-F102 HydrophobicContact CD2-CE1 4.36Å; L97-F102 HydrophobicContact CD2-CE2 4.26Å; L97-F102 HydrophobicContact CD2-CZ 4.13Å; L97-F102 WeakPolarHBondContact O-CD1 3.49Å; N99-F102 HydrophobicContact CB-CB 4.14Å; N99-F102 PolarHBondContact O-N 3.12Å; F102-S104 PolarHBondContact O-N 2.83Å; F102-A105 PolarHBondContact O-N 2.97Å; F102-A106 VanDerWaalsContact O-CB 3.3Å; F102-A106 WeakPolarHBondContact O-CB 3.42Å; F102-A106 PolarHBondContact O-N 2.84Å
103A91.9Very high90.9Very high29 Ų2962.6 Ų62.624%0.2434%0.336CS..Hα-helixtrans-60.6-44.3175.900000112N99 E100 Q107N99-A103 PolarHBondContact O-N 3.29Å; E100-A103 PolarHBondContact O-N 2.93Å; A103-Q107 WeakPolarHBondContact O-CB 3.17Å; A103-Q107 PolarHBondContact O-N 3.19Å
104S93.6Very high91Very high76 Ų7663.5 Ų63.553%0.53135%0.347SS..Hα-helixtrans-69.6-40.7179-560000112.1E100 F102 Q107 S108E100-S104 VanDerWaalsContact O-CB 3.29Å; E100-S104 WeakPolarHBondContact O-CB 3.46Å; E100-S104 PolarHBondContact O-N 3.33Å; E100-S104 PolarHBondContact O-OG 2.91Å; F102-S104 PolarHBondContact O-N 2.83Å; S104-Q107 PolarHBondContact O-N 3.44Å; S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 3.49Å
105A94.3Very high91.3Very high59 Ų5965 Ų6549%0.48834%0.343SS..Hα-helixtrans-64-43.1174.500000111.9F101 F102 S108 W109F101-A105 WeakPolarHBondContact O-CB 3.38Å; F101-A105 PolarHBondContact O-N 3.06Å; F102-A105 PolarHBondContact O-N 2.97Å; A105-S108 PolarHBondContact O-N 3.13Å; A105-W109 VanDerWaalsContact O-CB 3.28Å; A105-W109 WeakPolarHBondContact O-CB 3.15Å; A105-W109 PolarHBondContact O-N 2.95Å
106A93.3Very high91.2Very high12 Ų1262.2 Ų62.210%0.09932%0.324CS..Hα-helixtrans-65.7-38.4176.500000112.3L53 F102 K110L53-A106 HydrophobicContact CB-CB 4.19Å; F102-A106 VanDerWaalsContact O-CB 3.3Å; F102-A106 WeakPolarHBondContact O-CB 3.42Å; F102-A106 PolarHBondContact O-N 2.84Å; A106-K110 WeakPolarHBondContact O-CB 3.5Å; A106-K110 PolarHBondContact O-N 3.49Å
107Q93.4Very high91Very high81 Ų8164.1 Ų64.138%0.37933%0.332SS..Hα-helixtrans-67.3-48.3174.5178.461.821.600111.5A103 S104 W109 K110 E111A103-Q107 WeakPolarHBondContact O-CB 3.17Å; A103-Q107 PolarHBondContact O-N 3.19Å; S104-Q107 PolarHBondContact O-N 3.44Å; Q107-W109 PolarHBondContact O-N 2.9Å; Q107-K110 WeakPolarHBondContact O-CB 3.26Å; Q107-K110 PolarHBondContact O-N 3.44Å; Q107-K110 VanDerWaalsContact O-N 3.13Å; Q107-E111 PolarHBondContact NE2-OE1 2.91Å; Q107-E111 WeakPolarHBondContact O-CG 3.46Å; Q107-E111 PolarHBondContact O-N 3.11Å
108S93.2Very high90.8Very high32 Ų3265.6 Ų65.622%0.22434%0.338CS..Hα-helixtrans-63.8-38.5178.5-175.70000112.3S104 A105 K110 E111 R112S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 3.49Å; A105-S108 PolarHBondContact O-N 3.13Å; S108-K110 VanDerWaalsContact C-N 3.3Å; S108-K110 PolarHBondContact O-N 2.89Å; S108-E111 PolarHBondContact O-N 2.81Å; S108-R112 WeakPolarHBondContact O-CG 3.26Å; S108-R112 PolarHBondContact O-N 2.84Å; S108-R112 PolarHBondContact OG-NE 3.41Å; S108-R112 PolarHBondContact OG-NH2 3.13Å
109W93.8Very high90.7Very high84 Ų8462.1 Ų62.132%0.31832%0.32SS..Hα-helixtrans-60.5-41.1173.3178.884.9000111.9V41 L48 L53 A105 Q107 R112 L113 F118V41-W109 HydrophobicContact CB-CZ2 4.46Å; L48-W109 HydrophobicContact CB-CH2 4.37Å; L48-W109 HydrophobicContact CB-CZ3 4.25Å; L48-W109 HydrophobicContact CD1-CH2 3.8Å; L48-W109 HydrophobicContact CD1-CZ3 4.33Å; L53-W109 HydrophobicContact CD1-CE3 3.43Å; L53-W109 VanDerWaalsContact CD1-CE3 3.43Å; L53-W109 HydrophobicContact CD1-CZ3 3.57Å; L53-W109 HydrophobicContact CD2-CZ3 4.47Å; A105-W109 VanDerWaalsContact O-CB 3.28Å; A105-W109 WeakPolarHBondContact O-CB 3.15Å; A105-W109 PolarHBondContact O-N 2.95Å; Q107-W109 PolarHBondContact O-N 2.9Å; W109-R112 PolarHBondContact O-N 3.12Å; W109-L113 HydrophobicContact CH2-CD2 3.6Å; W109-L113 HydrophobicContact CZ2-CD2 4.17Å; W109-L113 HydrophobicContact CZ3-CD2 3.85Å; W109-L113 WeakPolarHBondContact O-CB 3.47Å; W109-L113 PolarHBondContact O-N 3.2Å; W109-F118 AromaticContact CD1-CE2 3.79Å; W109-F118 AromaticContact CD1-CZ 3.47Å; W109-F118 VanDerWaalsContact CD1-CZ 3.47Å; W109-F118 HydrophobicContact CG-CE2 4.4Å; W109-F118 HydrophobicContact CG-CZ 4.35Å; W109-F118 AromaticContact NE1-CE2 3.6Å; W109-F118 AromaticContact NE1-CZ 3.57Å
110K93.5Very high90.3Very high42 Ų4263.2 Ų63.218%0.18333%0.33CS..Hα-helixtrans-66.9-36.2177.8-164.8-168.280.1-164.20112.5V49 T51 L53 A106 Q107 S108 A114V49-K110 WeakPolarHBondContact O-CD 3.35Å; V49-K110 WeakPolarHBondContact O-CE 3.39Å; V49-K110 WeakPolarHBondContact O-CG 3.47Å; T51-K110 WeakPolarHBondContact O-CD 3.44Å; L53-K110 HydrophobicContact CD1-CB 3.94Å; L53-K110 HydrophobicContact CD1-CD 4.48Å; L53-K110 HydrophobicContact CD1-CG 4.21Å; A106-K110 WeakPolarHBondContact O-CB 3.5Å; A106-K110 PolarHBondContact O-N 3.49Å; Q107-K110 WeakPolarHBondContact O-CB 3.26Å; Q107-K110 PolarHBondContact O-N 3.44Å; Q107-K110 VanDerWaalsContact O-N 3.13Å; S108-K110 VanDerWaalsContact C-N 3.3Å; S108-K110 PolarHBondContact O-N 2.89Å; K110-A114 PolarHBondContact O-N 3.2Å
111E92.7Very high89.9Confident87 Ų8762.9 Ų62.941%0.40733%0.328SS..Hα-helixtrans-66.7-49.7174.9-72.4161.7169.500111.1Q107 S108 L113 A114 E115Q107-E111 PolarHBondContact NE2-OE1 2.91Å; Q107-E111 WeakPolarHBondContact O-CG 3.46Å; Q107-E111 PolarHBondContact O-N 3.11Å; S108-E111 PolarHBondContact O-N 2.81Å; E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 2.88Å; E111-A114 CarbonylContact O-C 3.43Å; E111-A114 WeakPolarHBondContact O-CA 3.49Å; E111-A114 VanDerWaalsContact O-CB 3.31Å; E111-A114 WeakPolarHBondContact O-CB 3.29Å; E111-A114 PolarHBondContact O-N 2.92Å; E111-E115 WeakPolarHBondContact O-CG 3.49Å; E111-E115 PolarHBondContact O-N 3.37Å
112R92.3Very high89.6Confident110 Ų11057.5 Ų57.542%0.41531%0.306SS..Hα-helixtrans-59.2-35.2174.9-64.5169.1-153.3-133.16.3113S108 W109 E115 G116 E117 F118S108-R112 WeakPolarHBondContact O-CG 3.26Å; S108-R112 PolarHBondContact O-N 2.84Å; S108-R112 PolarHBondContact OG-NE 3.41Å; S108-R112 PolarHBondContact OG-NH2 3.13Å; W109-R112 PolarHBondContact O-N 3.12Å; R112-E115 PolarHBondContact O-N 3.34Å; R112-G116 PolarHBondContact O-N 3.21Å; R112-E117 HydrophobicContact CB-CB 4.14Å; R112-E117 HydrophobicContact CB-CG 4.02Å; R112-E117 WeakPolarHBondContact CB-OE2 3.44Å; R112-E117 WeakPolarHBondContact CD-OE2 3.19Å; R112-E117 HydrophobicContact CG-CG 4.3Å; R112-E117 WeakPolarHBondContact CG-OE2 3.31Å; R112-E117 PolarHBondContact O-N 3.46Å; R112-F118 HydrophobicContact CB-CE2 3.84Å; R112-F118 HydrophobicContact CB-CZ 3.91Å
113L91.1Very high89.2Confident0 Ų058.1 Ų58.10%031%0.31CS..Hα-helixtrans-66.8-41172.9-176.563.4000111.3P44 L48 V49 W109 E111 E115 G116 F118P44-L113 WeakPolarHBondContact CA-O 3.46Å; P44-L113 VanDerWaalsContact CB-O 3.31Å; P44-L113 WeakPolarHBondContact CB-O 3.3Å; L48-L113 HydrophobicContact CB-CD2 4.15Å; V49-L113 HydrophobicContact CG2-CB 4.15Å; V49-L113 HydrophobicContact CG2-CD2 3.83Å; V49-L113 HydrophobicContact CG2-CG 3.66Å; W109-L113 HydrophobicContact CH2-CD2 3.6Å; W109-L113 HydrophobicContact CZ2-CD2 4.17Å; W109-L113 HydrophobicContact CZ3-CD2 3.85Å; W109-L113 WeakPolarHBondContact O-CB 3.47Å; W109-L113 PolarHBondContact O-N 3.2Å; E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 2.88Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-G116 PolarHBondContact O-N 2.91Å; L113-G116 VanDerWaalsContact O-N 3.12Å; L113-F118 HydrophobicContact CB-CD2 4.03Å; L113-F118 HydrophobicContact CB-CE2 4.02Å; L113-F118 HydrophobicContact CD1-CD2 3.91Å
114A89.6Confident89Confident49 Ų4961.4 Ų61.441%0.40533%0.327SS..Hα-helixtrans-66.9-32175.500000113.2P44 V49 K110 E111 G116P44-A114 WeakPolarHBondContact CB-O 3.38Å; V49-A114 HydrophobicContact CG1-CB 3.59Å; V49-A114 HydrophobicContact CG2-CB 4.19Å; K110-A114 PolarHBondContact O-N 3.2Å; E111-A114 CarbonylContact O-C 3.43Å; E111-A114 WeakPolarHBondContact O-CA 3.49Å; E111-A114 VanDerWaalsContact O-CB 3.31Å; E111-A114 WeakPolarHBondContact O-CB 3.29Å; E111-A114 PolarHBondContact O-N 2.92Å; A114-G116 VanDerWaalsContact C-N 3.29Å
115E87.4Confident88.6Confident135 Ų13564.8 Ų64.863%0.63133%0.327SS*.Hα-helixtrans-78.1-15.7172.5-68.5170.7169.700112.4E111 R112 L113E111-E115 WeakPolarHBondContact O-CG 3.49Å; E111-E115 PolarHBondContact O-N 3.37Å; R112-E115 PolarHBondContact O-N 3.34Å; L113-E115 VanDerWaalsContact C-N 3.33Å
116G85.8Confident88.3Confident4 Ų464.7 Ų64.74%0.04132%0.318CS..THydrogen-bonded Turntrans7722.2179.800000114.6R112 L113 A114 F118 T119R112-G116 PolarHBondContact O-N 3.21Å; L113-G116 PolarHBondContact O-N 2.91Å; L113-G116 VanDerWaalsContact O-N 3.12Å; A114-G116 VanDerWaalsContact C-N 3.29Å; G116-F118 PolarHBondContact O-N 3.44Å; G116-F118 VanDerWaalsContact O-N 3.09Å; G116-T119 WeakPolarHBondContact O-CB 3.41Å; G116-T119 WeakPolarHBondContact O-CG2 3.38Å; G116-T119 PolarHBondContact O-N 3.24Å; G116-T119 PolarHBondContact O-OG1 3.03Å
117E82.3Confident88Confident45 Ų4571.9 Ų71.921%0.2134%0.342CS..THydrogen-bonded Turntrans-52.4-33.7179-72.5-158147.800112.6R112 T119 Q123 M126R112-E117 HydrophobicContact CB-CB 4.14Å; R112-E117 HydrophobicContact CB-CG 4.02Å; R112-E117 WeakPolarHBondContact CB-OE2 3.44Å; R112-E117 WeakPolarHBondContact CD-OE2 3.19Å; R112-E117 HydrophobicContact CG-CG 4.3Å; R112-E117 WeakPolarHBondContact CG-OE2 3.31Å; R112-E117 PolarHBondContact O-N 3.46Å; E117-T119 VanDerWaalsContact C-N 3.29Å; E117-T119 PolarHBondContact O-N 3.16Å; E117-Q123 VanDerWaalsContact O-CG 3.26Å; E117-Q123 WeakPolarHBondContact O-CG 3.24Å; E117-M126 HydrophobicContact CB-SD 4.28Å; E117-M126 HydrophobicContact CG-CE 4.34Å; E117-M126 HydrophobicContact CG-SD 4.19Å; E117-M126 WeakPolarHBondContact OE1-CE 3.26Å
118F83.9Confident87.9Confident51 Ų5172.8 Ų72.822%0.22435%0.347CS..THydrogen-bonded Turntrans-75.7-13.5-178-56.3-58.1000113.8W109 R112 L113 G116 Q123W109-F118 AromaticContact CD1-CE2 3.79Å; W109-F118 AromaticContact CD1-CZ 3.47Å; W109-F118 VanDerWaalsContact CD1-CZ 3.47Å; W109-F118 HydrophobicContact CG-CE2 4.4Å; W109-F118 HydrophobicContact CG-CZ 4.35Å; W109-F118 AromaticContact NE1-CE2 3.6Å; W109-F118 AromaticContact NE1-CZ 3.57Å; R112-F118 HydrophobicContact CB-CE2 3.84Å; R112-F118 HydrophobicContact CB-CZ 3.91Å; L113-F118 HydrophobicContact CB-CD2 4.03Å; L113-F118 HydrophobicContact CB-CE2 4.02Å; L113-F118 HydrophobicContact CD1-CD2 3.91Å; G116-F118 PolarHBondContact O-N 3.44Å; G116-F118 VanDerWaalsContact O-N 3.09Å; F118-Q123 PolarHBondContact O-NE2 3.14Å
119T85.9Confident87.6Confident30 Ų3077.1 Ų77.118%0.18436%0.363CS..SBendtrans-60136.1173.860.20000110.7E42 G116 E117 E121 L122 Q123E42-T119 PolarHBondContact O-N 2.93Å; G116-T119 WeakPolarHBondContact O-CB 3.41Å; G116-T119 WeakPolarHBondContact O-CG2 3.38Å; G116-T119 PolarHBondContact O-N 3.24Å; G116-T119 PolarHBondContact O-OG1 3.03Å; E117-T119 VanDerWaalsContact C-N 3.29Å; E117-T119 PolarHBondContact O-N 3.16Å; T119-E121 PolarHBondContact O-N 3.37Å; T119-E121 VanDerWaalsContact O-N 3.12Å; T119-L122 PolarHBondContact O-N 3.02Å; T119-L122 VanDerWaalsContact O-N 3.08Å; T119-L122 WeakPolarHBondContact OG1-CB 3.37Å; T119-L122 PolarHBondContact OG1-N 2.66Å; T119-Q123 PolarHBondContact O-N 3.48Å
120P81.8Confident87.2Confident71 Ų7177 Ų7746%0.46137%0.368SS..Hα-helixtrans-53.2-35.8-179.3-28.535.9000113.6V124P120-V124 WeakPolarHBondContact O-CB 3.23Å; P120-V124 VanDerWaalsContact O-CG2 3.29Å; P120-V124 WeakPolarHBondContact O-CG2 3.34Å; P120-V124 PolarHBondContact O-N 3.39Å
121E82.8Confident86.8Confident129 Ų12981.8 Ų81.860%0.60339%0.391SS*.Hα-helixtrans-68.3-37.3-179.3-63.267.5-148.400112.5T119 R125T119-E121 PolarHBondContact O-N 3.37Å; T119-E121 VanDerWaalsContact O-N 3.12Å; E121-R125 PolarHBondContact O-N 3.42Å
122L85.3Confident86.2Confident32 Ų3283.7 Ų83.717%0.16840%0.398CS..Hα-helixtrans-80.4-39175.1-173.244.4000111T119 V124 R125 M126T119-L122 PolarHBondContact O-N 3.02Å; T119-L122 VanDerWaalsContact O-N 3.08Å; T119-L122 WeakPolarHBondContact OG1-CB 3.37Å; T119-L122 PolarHBondContact OG1-N 2.66Å; L122-V124 VanDerWaalsContact C-N 3.31Å; L122-V124 PolarHBondContact O-N 3.13Å; L122-R125 HydrophobicContact CD1-CB 4.22Å; L122-R125 CarbonylContact O-C 3.56Å; L122-R125 WeakPolarHBondContact O-CA 3.37Å; L122-R125 WeakPolarHBondContact O-CB 3.47Å; L122-R125 PolarHBondContact O-N 2.97Å; L122-M126 HydrophobicContact CD1-CG 4.03Å; L122-M126 HydrophobicContact CD1-SD 4.44Å; L122-M126 HydrophobicContact CG-CG 4.35Å; L122-M126 HydrophobicContact CG-SD 4.18Å; L122-M126 WeakPolarHBondContact O-CG 3.26Å; L122-M126 PolarHBondContact O-N 2.98Å
123Q85.1Confident85.1Confident63 Ų6385.9 Ų85.929%0.29441%0.413SS..Hα-helixtrans-56.1-43.6171.6-71.7-165.245.700112.6E117 F118 T119 R125 R127E117-Q123 VanDerWaalsContact O-CG 3.26Å; E117-Q123 WeakPolarHBondContact O-CG 3.24Å; F118-Q123 PolarHBondContact O-NE2 3.14Å; T119-Q123 PolarHBondContact O-N 3.48Å; Q123-R125 VanDerWaalsContact C-N 3.34Å; Q123-R127 WeakPolarHBondContact O-CB 3.27Å; Q123-R127 WeakPolarHBondContact O-CD 3.45Å; Q123-R127 WeakPolarHBondContact O-CG 3.46Å; Q123-R127 PolarHBondContact O-N 2.92Å
124V87.3Confident83.8Confident98 Ų9893.5 Ų93.559%0.59445%0.446SS*.Hα-helixtrans-64.4-39.9175.9167.30000110.9P120 L122 Q128P120-V124 WeakPolarHBondContact O-CB 3.23Å; P120-V124 VanDerWaalsContact O-CG2 3.29Å; P120-V124 WeakPolarHBondContact O-CG2 3.34Å; P120-V124 PolarHBondContact O-N 3.39Å; L122-V124 VanDerWaalsContact C-N 3.31Å; L122-V124 PolarHBondContact O-N 3.13Å; V124-Q128 WeakPolarHBondContact O-CB 3.23Å; V124-Q128 PolarHBondContact O-N 2.94Å
125R86.8Confident82.5Confident146 Ų14698.5 Ų98.555%0.55146%0.459SS*.Hα-helixtrans-63.3-48.3176.2-169.9-174.3-52.2147.813.3112E121 L122 Q123 Q128 E129E121-R125 PolarHBondContact O-N 3.42Å; L122-R125 HydrophobicContact CD1-CB 4.22Å; L122-R125 CarbonylContact O-C 3.56Å; L122-R125 WeakPolarHBondContact O-CA 3.37Å; L122-R125 WeakPolarHBondContact O-CB 3.47Å; L122-R125 PolarHBondContact O-N 2.97Å; Q123-R125 VanDerWaalsContact C-N 3.34Å; R125-Q128 CarbonylContact O-C 3.6Å; R125-Q128 PolarHBondContact O-N 3.1Å; R125-E129 WeakPolarHBondContact O-CB 3.47Å; R125-E129 PolarHBondContact O-N 2.79Å
126M86.1Confident81.1Confident58 Ų5895.2 Ų95.229%0.28645%0.448SS..Hα-helixtrans-63.3-41.8178-66.7173.385.200111.6E117 L122 Q128 E129 I130E117-M126 HydrophobicContact CB-SD 4.28Å; E117-M126 HydrophobicContact CG-CE 4.34Å; E117-M126 HydrophobicContact CG-SD 4.19Å; E117-M126 WeakPolarHBondContact OE1-CE 3.26Å; L122-M126 HydrophobicContact CD1-CG 4.03Å; L122-M126 HydrophobicContact CD1-SD 4.44Å; L122-M126 HydrophobicContact CG-CG 4.35Å; L122-M126 HydrophobicContact CG-SD 4.18Å; L122-M126 WeakPolarHBondContact O-CG 3.26Å; L122-M126 PolarHBondContact O-N 2.98Å; M126-Q128 VanDerWaalsContact C-N 3.32Å; M126-Q128 PolarHBondContact O-N 3Å; M126-E129 PolarHBondContact O-N 3.39Å; M126-I130 WeakPolarHBondContact O-CB 3.15Å; M126-I130 VanDerWaalsContact O-CG1 3.27Å; M126-I130 WeakPolarHBondContact O-CG1 3.42Å; M126-I130 PolarHBondContact O-N 3.07Å
127R88.2Confident80.2Confident162 Ų16299.5 Ų99.561%0.61147%0.466SS*.Hα-helixtrans-59.9-43.1173-70.8167.6-159.2-128.88.5111.4Q123 E129 E131Q123-R127 WeakPolarHBondContact O-CB 3.27Å; Q123-R127 WeakPolarHBondContact O-CD 3.45Å; Q123-R127 WeakPolarHBondContact O-CG 3.46Å; Q123-R127 PolarHBondContact O-N 2.92Å; R127-E129 VanDerWaalsContact C-N 3.32Å; R127-E129 PolarHBondContact O-N 3.35Å; R127-E131 VanDerWaalsContact O-CB 3.27Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 PolarHBondContact O-N 3.05Å
128Q90.6Very high79Confident101 Ų101103.8 Ų103.847%0.47249%0.486SS..Hα-helixtrans-69.9-27.8177.3-155.1-16351.400112.8V124 R125 M126 K132V124-Q128 WeakPolarHBondContact O-CB 3.23Å; V124-Q128 PolarHBondContact O-N 2.94Å; R125-Q128 CarbonylContact O-C 3.6Å; R125-Q128 PolarHBondContact O-N 3.1Å; M126-Q128 VanDerWaalsContact C-N 3.32Å; M126-Q128 PolarHBondContact O-N 3Å; Q128-K132 VanDerWaalsContact O-CD 3.26Å; Q128-K132 WeakPolarHBondContact O-CD 3.44Å; Q128-K132 WeakPolarHBondContact O-CG 3.48Å; Q128-K132 PolarHBondContact O-N 2.99Å; Q128-K132 VanDerWaalsContact O-N 3.13Å
129E87.4Confident77.8Confident122 Ų122108.1 Ų108.157%0.5750%0.501SS*.Hα-helixtrans-73.2-48.6174.6-170.6151.5-133.900110.8R125 M126 R127 E131 K132 E133R125-E129 WeakPolarHBondContact O-CB 3.47Å; R125-E129 PolarHBondContact O-N 2.79Å; M126-E129 PolarHBondContact O-N 3.39Å; R127-E129 VanDerWaalsContact C-N 3.32Å; R127-E129 PolarHBondContact O-N 3.35Å; E129-E131 VanDerWaalsContact C-N 3.29Å; E129-E131 PolarHBondContact O-N 2.6Å; E129-K132 WeakPolarHBondContact O-CB 3.41Å; E129-K132 PolarHBondContact O-N 3.16Å; E129-K132 VanDerWaalsContact O-N 3.12Å; E129-E133 WeakPolarHBondContact O-CB 3.31Å; E129-E133 PolarHBondContact O-N 3.15Å
130I85.3Confident76.9Confident81 Ų81110.6 Ų110.642%0.41551%0.51SS..Hα-helixtrans-59.7-37.7172.7-66.1163.3000111.3M126 E133 K134M126-I130 WeakPolarHBondContact O-CB 3.15Å; M126-I130 VanDerWaalsContact O-CG1 3.27Å; M126-I130 WeakPolarHBondContact O-CG1 3.42Å; M126-I130 PolarHBondContact O-N 3.07Å; I130-E133 PolarHBondContact O-N 2.9Å; I130-K134 HydrophobicContact CG2-CD 3.98Å; I130-K134 HydrophobicContact CG2-CG 4.35Å; I130-K134 VanDerWaalsContact O-CB 3.23Å; I130-K134 WeakPolarHBondContact O-CB 3.43Å; I130-K134 VanDerWaalsContact O-CG 3.23Å; I130-K134 WeakPolarHBondContact O-CG 3.21Å; I130-K134 PolarHBondContact O-N 2.84Å
131E85Confident76.1Confident143 Ų143112.9 Ų112.967%0.66851%0.514SS*.Hα-helixtrans-69.8-33.5176.3-174.4174.4-118.300112.8R127 E129 K135R127-E131 VanDerWaalsContact O-CB 3.27Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 PolarHBondContact O-N 3.05Å; E129-E131 VanDerWaalsContact C-N 3.29Å; E129-E131 PolarHBondContact O-N 2.6Å; E131-K135 PolarHBondContact O-N 3.19Å
132K81.1Confident75Confident128 Ų128110.2 Ų110.256%0.55751%0.514SS*.Hα-helixtrans-71.8-41.1171.7-71.7161-166.6156.80111.9Q128 E129 K135Q128-K132 VanDerWaalsContact O-CD 3.26Å; Q128-K132 WeakPolarHBondContact O-CD 3.44Å; Q128-K132 WeakPolarHBondContact O-CG 3.48Å; Q128-K132 PolarHBondContact O-N 2.99Å; Q128-K132 VanDerWaalsContact O-N 3.13Å; E129-K132 WeakPolarHBondContact O-CB 3.41Å; E129-K132 PolarHBondContact O-N 3.16Å; E129-K132 VanDerWaalsContact O-N 3.12Å; K132-K135 VanDerWaalsContact O-CB 3.26Å; K132-K135 WeakPolarHBondContact O-CB 3.14Å; K132-K135 PolarHBondContact O-N 3.4Å; K132-K135 VanDerWaalsContact O-N 3.14Å
133E68.9Low73.4Confident155 Ų155116.9 Ų116.972%0.72454%0.542SS*.Hα-helixtrans-70.4-39.5-179.5-174.3172.3-133.700111.9E129 I130 K135E129-E133 WeakPolarHBondContact O-CB 3.31Å; E129-E133 PolarHBondContact O-N 3.15Å; I130-E133 PolarHBondContact O-N 2.9Å; E133-K135 PolarHBondContact O-N 2.97Å; E133-K135 VanDerWaalsContact O-N 3.12Å
134K63.5Low71.7Confident161 Ų161121.5 Ų121.570%0.756%0.561SS**THydrogen-bonded Turntrans-63.1-11.8169.3-76.7179.5177.7-175.70113.7I130 V136I130-K134 HydrophobicContact CG2-CD 3.98Å; I130-K134 HydrophobicContact CG2-CG 4.35Å; I130-K134 VanDerWaalsContact O-CB 3.23Å; I130-K134 WeakPolarHBondContact O-CB 3.43Å; I130-K134 VanDerWaalsContact O-CG 3.23Å; I130-K134 WeakPolarHBondContact O-CG 3.21Å; I130-K134 PolarHBondContact O-N 2.84Å; K134-V136 PolarHBondContact O-N 2.7Å
135K61.5Low70.3Confident154 Ų154122.9 Ų122.967%0.6756%0.561SS**  trans-81.261.3170.9-155.4165.4-168.7166.30110.7E131 K132 E133 E137E131-K135 PolarHBondContact O-N 3.19Å; K132-K135 VanDerWaalsContact O-CB 3.26Å; K132-K135 WeakPolarHBondContact O-CB 3.14Å; K132-K135 PolarHBondContact O-N 3.4Å; K132-K135 VanDerWaalsContact O-N 3.14Å; E133-K135 PolarHBondContact O-N 2.97Å; E133-K135 VanDerWaalsContact O-N 3.12Å; K135-E137 PolarHBondContact O-N 3.09Å
136V59.5Low68.5Low66 Ų66123.4 Ų123.440%0.458%0.575SS.*  trans-52128.6159.2-178.10000106.5K134 H138 K140 E141K134-V136 PolarHBondContact O-N 2.7Å; V136-H138 PolarHBondContact O-N 3.12Å; V136-K140 HydrophobicContact CG1-CB 3.71Å; V136-K140 HydrophobicContact CG1-CD 4.24Å; V136-E141 HydrophobicContact CB-CG 3.9Å; V136-E141 HydrophobicContact CG1-CG 3.69Å
137E65.8Low66.6Low93 Ų93129.6 Ų129.644%0.43560%0.597SS.*  trans-61.4130.8-177.9-62.9172.184.800109.1K135 W139 K140 E141K135-E137 PolarHBondContact O-N 3.09Å; E137-W139 HydrophobicContact CB-CG 4.39Å; E137-W139 PolarHBondContact O-N 2.97Å; E137-W139 PolarHBondContact OE1-NE1 2.88Å; E137-W139 PolarHBondContact OE2-NE1 3.43Å; E137-K140 HydrophobicContact CB-CD 4.38Å; E137-K140 WeakPolarHBondContact O-CA 3.44Å; E137-K140 WeakPolarHBondContact O-CB 3.18Å; E137-K140 PolarHBondContact O-N 3.35Å; E137-K140 WeakPolarHBondContact OE2-CE 3.34Å; E137-K140 IonicContact OE2-NZ 2.65Å; E137-K140 PolarHBondContact OE2-NZ 2.85Å; E137-E141 PolarHBondContact O-N 2.88Å
138H58.4Low64.8Low135 Ų135131.3 Ų131.363%0.62561%0.605SS**Hα-helixtrans-57.1-17.7-171.8-59.6-29.5000114.6V136 E141 A142V136-H138 PolarHBondContact O-N 3.12Å; H138-E141 WeakPolarHBondContact CA-OE2 3.35Å; H138-E141 IonicContact CE1-OE2 3.64Å; H138-E141 IonicContact CG-OE2 3.64Å; H138-E141 IonicContact ND1-OE2 2.6Å; H138-E141 PolarHBondContact ND1-OE2 3.49Å; H138-A142 WeakPolarHBondContact O-CB 3.3Å; H138-A142 PolarHBondContact O-N 2.95Å
139W58.2Low62.7Low143 Ų143128.1 Ų128.154%0.54260%0.599SS.*Hα-helixtrans-73.5-30.3171.271.5-98.5000113.3E137 F143E137-W139 HydrophobicContact CB-CG 4.39Å; E137-W139 PolarHBondContact O-N 2.97Å; E137-W139 PolarHBondContact OE1-NE1 2.88Å; E137-W139 PolarHBondContact OE2-NE1 3.43Å; W139-F143 WeakPolarHBondContact O-CB 3.37Å; W139-F143 WeakPolarHBondContact O-CD2 3.19Å; W139-F143 PolarHBondContact O-N 2.95Å
140K66.9Low60.5Low82 Ų82131.3 Ų131.336%0.35761%0.614SS.*Hα-helixtrans-70.9-46.2170.8-67.1167.8176.5155.50109.7V136 E137 A142 F143 F144V136-K140 HydrophobicContact CG1-CB 3.71Å; V136-K140 HydrophobicContact CG1-CD 4.24Å; E137-K140 HydrophobicContact CB-CD 4.38Å; E137-K140 WeakPolarHBondContact O-CA 3.44Å; E137-K140 WeakPolarHBondContact O-CB 3.18Å; E137-K140 PolarHBondContact O-N 3.35Å; E137-K140 WeakPolarHBondContact OE2-CE 3.34Å; E137-K140 IonicContact OE2-NZ 2.65Å; E137-K140 PolarHBondContact OE2-NZ 2.85Å; K140-A142 PolarHBondContact O-N 2.88Å; K140-F143 PolarHBondContact O-N 3.29Å; K140-F144 WeakPolarHBondContact O-CB 3.35Å; K140-F144 PolarHBondContact O-N 3.12Å
141E64.6Low58.6Low118 Ų118132.2 Ų132.255%0.55162%0.619SS**Hα-helixtrans-59.3-33174.7-59177.5135.200112.3V136 E137 H138V136-E141 HydrophobicContact CB-CG 3.9Å; V136-E141 HydrophobicContact CG1-CG 3.69Å; E137-E141 PolarHBondContact O-N 2.88Å; H138-E141 WeakPolarHBondContact CA-OE2 3.35Å; H138-E141 IonicContact CE1-OE2 3.64Å; H138-E141 IonicContact CG-OE2 3.64Å; H138-E141 IonicContact ND1-OE2 2.6Å; H138-E141 PolarHBondContact ND1-OE2 3.49Å
142A60.3Low56.9Low73 Ų73130.1 Ų130.160%0.60362%0.621SS**Hα-helixtrans-91.2-14.1-178.700000116H138 K140H138-A142 WeakPolarHBondContact O-CB 3.3Å; H138-A142 PolarHBondContact O-N 2.95Å; K140-A142 PolarHBondContact O-N 2.88Å
143F51.4Low55.6Low173 Ų173128 Ų12876%0.75964%0.635SS**Hα-helixtrans-132.7-8.8-175.3-72.8-86.8000115.5W139 K140 E145W139-F143 WeakPolarHBondContact O-CB 3.37Å; W139-F143 WeakPolarHBondContact O-CD2 3.19Å; W139-F143 PolarHBondContact O-N 2.95Å; K140-F143 PolarHBondContact O-N 3.29Å; F143-E145 VanDerWaalsContact C-N 3.25Å; F143-E145 PolarHBondContact O-N 3.14Å; F143-E145 VanDerWaalsContact O-N 3.13Å
144F49.6Very low54.3Low159 Ų159124.8 Ų124.870%0.69762%0.622SS**SBendtrans-86.935.3-173.1-150.5-95.3000114.6K140K140-F144 WeakPolarHBondContact O-CB 3.35Å; K140-F144 PolarHBondContact O-N 3.12Å
145E56.8Low54Low128 Ų128120.6 Ų120.660%0.59861%0.613SS**SBendtrans-152.676.3168.4-132163.5-115.400113.7F143 N151F143-E145 VanDerWaalsContact C-N 3.25Å; F143-E145 PolarHBondContact O-N 3.14Å; F143-E145 VanDerWaalsContact O-N 3.13Å; E145-N151 VanDerWaalsContact CD-ND2 3.34Å; E145-N151 PolarHBondContact OE2-ND2 2.65Å
146N50.3Low53.8Low156 Ų156121.4 Ų121.483%0.83461%0.613SS**SBendtrans-157.327.7156.6-163.132.1000113.7
147Y46.6Very low53.6Low189 Ų189123 Ų12374%0.74162%0.617SS**SBendtrans-153.1-20.2175.7-156.5-118000116.7
148Y49.7Very low53.3Low198 Ų198122.9 Ų122.978%0.77662%0.616SS**SBendtrans-133.83175-70.9-61.8000115.1
149G46Very low53.6Low34 Ų34118.8 Ų118.835%0.35160%0.602SS.*  trans-103.788166.100000109.5N151G149-N151 PolarHBondContact O-N 3.45Å
150E40.4Very low53.7Low189 Ų189116.4 Ų116.488%0.88360%0.596SS**  trans-77.873.8162.1-171.8173.3-16400107.7S152E150-S152 PolarHBondContact O-N 3.28Å
151N45.5Very low53.4Low99 Ų99118.1 Ų118.153%0.52961%0.605SS.*  trans-59.3112.1169.5-66.8-7.7000106.6E145 G149 G153E145-N151 VanDerWaalsContact CD-ND2 3.34Å; E145-N151 PolarHBondContact OE2-ND2 2.65Å; G149-N151 PolarHBondContact O-N 3.45Å; N151-G153 PolarHBondContact O-N 2.75Å
152S49.3Very low53.1Low100 Ų100118.6 Ų118.670%0.69961%0.611SS**  trans-49.8119.6171-53.40000107E150 L154E150-S152 PolarHBondContact O-N 3.28Å; S152-L154 PolarHBondContact O-N 3.35Å
153G53.5Low53Low84 Ų84121.8 Ų121.887%0.86662%0.616SS**SBendtrans-71.140.8-15100000117.3N151N151-G153 PolarHBondContact O-N 2.75Å
154L43.6Very low53.1Low86 Ų86119.3 Ų119.345%0.4561%0.605SS.*  trans-101.5142-179.4-49.7176.8000108.6S152 E158 L162S152-L154 PolarHBondContact O-N 3.35Å; L154-E158 VanDerWaalsContact CA-OE2 3.23Å; L154-E158 WeakPolarHBondContact CA-OE2 3.43Å; L154-E158 HydrophobicContact CB-CB 4.34Å; L154-E158 HydrophobicContact CB-CG 4.16Å; L154-E158 HydrophobicContact CD2-CG 4.37Å; L154-E158 WeakPolarHBondContact CD2-OE1 3.35Å; L154-L162 HydrophobicContact CD1-CD1 3.81Å
155S57Low52.9Low73 Ų73118 Ų11851%0.5161%0.613SS.*  trans-63.4154.2172.9-179.30000111.6E157 E158 S159S155-E157 PolarHBondContact O-N 2.71Å; S155-E157 PolarHBondContact OG-N 2.98Å; S155-E158 PolarHBondContact N-OE2 2.86Å; S155-E158 WeakPolarHBondContact O-CB 3.21Å; S155-E158 PolarHBondContact O-N 3.08Å; S155-S159 PolarHBondContact O-N 3.21Å
156Y55.7Low52.1Low171 Ų171119.2 Ų119.267%0.67162%0.623SS**Hα-helixtrans-49.5-40.4167.4171.8-100.8000111.4S159 K160Y156-S159 PolarHBondContact O-OG 3.14Å; Y156-K160 HydrophobicContact CE1-CD 4.18Å; Y156-K160 WeakPolarHBondContact O-CB 3.45Å; Y156-K160 PolarHBondContact O-N 3Å
157E56.4Low51.9Low101 Ų101114.4 Ų114.447%0.47261%0.611SS.*Hα-helixtrans-74.2-28.3179.6-139.560.6-145.500112.8S155 K160 E161S155-E157 PolarHBondContact O-N 2.71Å; S155-E157 PolarHBondContact OG-N 2.98Å; E157-K160 WeakPolarHBondContact O-CB 3.46Å; E157-K160 PolarHBondContact O-N 3.01Å; E157-K160 WeakPolarHBondContact OE1-CE 3.28Å; E157-K160 IonicContact OE1-NZ 2.71Å; E157-K160 PolarHBondContact OE1-NZ 2.97Å; E157-K160 IonicContact OE2-NZ 2.68Å; E157-E161 WeakPolarHBondContact O-CG 3.34Å; E157-E161 PolarHBondContact O-N 3.5Å; E157-E161 VanDerWaalsContact O-N 3.15Å
158E59.2Low51.6Low90 Ų90112.7 Ų112.742%0.42161%0.614SS.*Hα-helixtrans-75.9-41.7177.9-176.7176.3-169.600111.5L154 S155 K160 E161 L162L154-E158 VanDerWaalsContact CA-OE2 3.23Å; L154-E158 WeakPolarHBondContact CA-OE2 3.43Å; L154-E158 HydrophobicContact CB-CB 4.34Å; L154-E158 HydrophobicContact CB-CG 4.16Å; L154-E158 HydrophobicContact CD2-CG 4.37Å; L154-E158 WeakPolarHBondContact CD2-OE1 3.35Å; S155-E158 PolarHBondContact N-OE2 2.86Å; S155-E158 WeakPolarHBondContact O-CB 3.21Å; S155-E158 PolarHBondContact O-N 3.08Å; E158-K160 PolarHBondContact O-N 3.12Å; E158-K160 VanDerWaalsContact O-N 3.11Å; E158-E161 PolarHBondContact O-N 3.47Å; E158-L162 PolarHBondContact O-N 3.27Å; E158-L162 VanDerWaalsContact O-N 3.15Å
159S64.8Low50.9Low48 Ų48112.3 Ų112.334%0.33662%0.617SS.*Hα-helixtrans-56.6-28.3170.779.50000112.6S155 Y156 I163S155-S159 PolarHBondContact O-N 3.21Å; Y156-S159 PolarHBondContact O-OG 3.14Å; S159-I163 WeakPolarHBondContact O-CD1 3.22Å; S159-I163 WeakPolarHBondContact O-CG1 3.35Å
160K60.9Low50.2Low93 Ų93119.5 Ų119.540%0.40464%0.641SS.*THydrogen-bonded Turntrans-91.5-10.9-177.8-175.2179.2168.7-159.50112.9Y156 E157 E158 K164Y156-K160 HydrophobicContact CE1-CD 4.18Å; Y156-K160 WeakPolarHBondContact O-CB 3.45Å; Y156-K160 PolarHBondContact O-N 3Å; E157-K160 WeakPolarHBondContact O-CB 3.46Å; E157-K160 PolarHBondContact O-N 3.01Å; E157-K160 WeakPolarHBondContact OE1-CE 3.28Å; E157-K160 IonicContact OE1-NZ 2.71Å; E157-K160 PolarHBondContact OE1-NZ 2.97Å; E157-K160 IonicContact OE2-NZ 2.68Å; E158-K160 PolarHBondContact O-N 3.12Å; E158-K160 VanDerWaalsContact O-N 3.11Å; K160-K164 WeakPolarHBondContact O-CE 3.46Å
161E60.5Low50.2Low119 Ų119116.4 Ų116.456%0.55664%0.637SS**THydrogen-bonded Turntrans-82.9-41.1164.7-57-126.696.900110.9E157 E158 I163 K164E157-E161 WeakPolarHBondContact O-CG 3.34Å; E157-E161 PolarHBondContact O-N 3.5Å; E157-E161 VanDerWaalsContact O-N 3.15Å; E158-E161 PolarHBondContact O-N 3.47Å; E161-I163 PolarHBondContact O-N 2.88Å; E161-I163 VanDerWaalsContact O-N 3.1Å; E161-K164 WeakPolarHBondContact O-CB 3.32Å; E161-K164 WeakPolarHBondContact O-CG 3.29Å; E161-K164 PolarHBondContact O-N 2.97Å; E161-K164 IonicContact OE1-NZ 3.51Å; E161-K164 PolarHBondContact OE1-NZ 3.28Å
162L57Low49.7Very low128 Ų128118.6 Ų118.667%0.6765%0.654SS**THydrogen-bonded Turntrans-64.1-13.1178.4-68.4169.6000114.8L154 E158L154-L162 HydrophobicContact CD1-CD1 3.81Å; E158-L162 PolarHBondContact O-N 3.27Å; E158-L162 VanDerWaalsContact O-N 3.15Å
163I57.9Low49.1Very low140 Ų140124.8 Ų124.872%0.71866%0.662SS**THydrogen-bonded Turntrans-96.7-5.5177.1-63.9166.7000111.6S159 E161S159-I163 WeakPolarHBondContact O-CD1 3.22Å; S159-I163 WeakPolarHBondContact O-CG1 3.35Å; E161-I163 PolarHBondContact O-N 2.88Å; E161-I163 VanDerWaalsContact O-N 3.1Å
164K53.9Low48Very low121 Ų121132.2 Ų132.253%0.52666%0.664SS.*SBendtrans-77.6127.1175-60.1172-173.3173.90109.8K160 E161 D166K160-K164 WeakPolarHBondContact O-CE 3.46Å; E161-K164 WeakPolarHBondContact O-CB 3.32Å; E161-K164 WeakPolarHBondContact O-CG 3.29Å; E161-K164 PolarHBondContact O-N 2.97Å; E161-K164 IonicContact OE1-NZ 3.51Å; E161-K164 PolarHBondContact OE1-NZ 3.28Å; K164-D166 PolarHBondContact O-N 3.05Å; K164-D166 VanDerWaalsContact O-N 3.14Å
165P45.1Very low47.3Very low132 Ų132139.8 Ų139.886%0.85769%0.687SS**  trans-76.6100.817530.2-32.7000110.4
166D41.6Very low45.9Very low152 Ų152141.6 Ų141.681%0.81370%0.699SS**  trans-84.8146171.3-166.519.2000111.9K164K164-D166 PolarHBondContact O-N 3.05Å; K164-D166 VanDerWaalsContact O-N 3.14Å
167G45.3Very low44.9Very low56 Ų56139.4 Ų139.458%0.57771%0.706SS**  trans-99.7113.9-170.700000114
168N39.8Very low43.4Very low152 Ų152140.2 Ų140.281%0.81372%0.717SS**  trans64.191.4147.8-170.119.8000118.3
169K36.4Very low41.8Very low191 Ų191142.1 Ų142.183%0.8374%0.739SS**  trans-142.3139.2156.5-64.8-176.7-176.5158.50110.8
170E30.8Very low40.2Very low184 Ų184148.4 Ų148.486%0.8676%0.764SS**PPolyproline II helixtrans-75.4153.7-176.1-74.9-170.8101.900114.9
171P40.7Very low38.5Very low124 Ų124150.1 Ų150.181%0.80578%0.782SS**PPolyproline II helixtrans-88.7119.8175.834-32.7000113.6R173P171-R173 PolarHBondContact O-N 2.91Å
172V33.4Very low37Very low146 Ų146151.6 Ų151.689%0.88579%0.794SS**PPolyproline II helixtrans-75.9117.4171.4175.60000111.3
173R37.2Very low36.6Very low229 Ų229151.2 Ų151.286%0.86480%0.799SS**PPolyproline II helixtrans-68.6124.2-177.2-172.3-174.1-162.2171.26.1113.6P171P171-R173 PolarHBondContact O-N 2.91Å
174R31.4Very low35.2Very low241 Ų241149.2 Ų149.291%0.90980%0.803SS**  trans-134.7160.8154.7-78.4-157.4172.8-150.4-1.3112.1
175R27.9Very low34Very low245 Ų245148 Ų14893%0.92582%0.815SS**PPolyproline II helixtrans-86.9144.5-158.4-65.5174.1172.8164-4.9114.2
176S28.3Very low33.3Very low110 Ų110151 Ų15177%0.76982%0.818SS**PPolyproline II helixtrans-84.2145.2161.7-36.70000111.6
177P34.1Very low32.6Very low126 Ų126151.5 Ų151.582%0.81882%0.82SS**PPolyproline II helixtrans-84.9150.3152-826.9000110.8
178V25.8Very low32Very low117 Ų117155.6 Ų155.671%0.70983%0.828SS**PPolyproline II helixtrans-101.6143.6175.11720000109.6Q180V178-Q180 HydrophobicContact CG1-CG 4.03Å
179C24.6Very low31.3Very low130 Ų130157 Ų15788%0.87883%0.829SS**  trans-120.8132.2160.9-70.30000109.7
180Q31.3Very low31Very low181 Ų181153.3 Ų153.385%0.84682%0.819SS**  trans-108.4166.9176-59179.98.800110.2V178V178-Q180 HydrophobicContact CG1-CG 4.03Å
181T24.7Very low31.5Very low128 Ų128152.3 Ų152.379%0.78581%0.812SS**  trans-106.7111-175.934.30000114.7
182N30.6Very low31Very low151 Ų151156 Ų15681%0.80782%0.815SS**  trans61.1178.1148.6-57.8-24.6000117.3
183P48.2Very low30.6Very low120 Ų120154.2 Ų154.278%0.77981%0.809SS**  cis-137.9-179.4-1.844.3-27.4000118
184A28.3Very low30.5Very low97 Ų97147.7 Ų147.780%0.80280%0.804SS**  trans86.8161.4140.500000124.3
185A27.9Very low30.6Very low95 Ų95145.1 Ų145.179%0.78580%0.8SS**  trans67.3135.4179.900000117.2
186Q31.9Very low30.6Very low195 Ų195139.5 Ų139.591%0.91179%0.788SS**  cis74105.99.2-68.4-165.7-7.800120.3
187L25.6Very low30.8Very low163 Ų163139.4 Ų139.485%0.85379%0.786SS**  trans-162123.1139.5-15268.2000107.1
188L34Very low30.6Very low143 Ų143139 Ų13975%0.74978%0.781SS**  79.3119.459.7-122.8178.7000114.7
189E24.5Very low30.9Very low180 Ų180141.4 Ų141.484%0.84178%0.784SS**  trans-163.9160.4151.4-103.8-47.4141.300110.2
190D30.8Very low30.9Very low114 Ų114141 Ų14161%0.6178%0.778SS**  trans-124.7-164.4-165.8-151-90.6000116.2
191K40.1Very low30.6Very low164 Ų164140 Ų14071%0.71378%0.778SS**  trans-99.5150.5-150.9-53.1158.6-156.568.90116.2
192K29.7Very low30.8Very low200 Ų200137 Ų13787%0.8777%0.767SS**  trans-171.9156.8134.5-115.3179.4177.6176.50110.8
193S25.2Very low30.6Very low109 Ų109136 Ų13676%0.76277%0.766SS**  cis-137.9179.74.8-66.30000111.2
194A34.5Very low29.7Very low92 Ų92135.4 Ų135.476%0.7676%0.761SS**  trans-126.1172.4-172.400000114.7
195K33.6Very low29.6Very low188 Ų188140.9 Ų140.982%0.81776%0.761SS**  trans121.6141.7162.1-72.7-179.5155.1-79.90114.1
196D29.6Very low29.5Very low126 Ų126141.2 Ų141.267%0.67475%0.749SS**  cis-150.6-175.7-4.8-132.4-49.8000113.1
197C31.7Very low29.4Very low108 Ų108142.1 Ų142.173%0.7375%0.75SS**  trans-67.6171.2-175.9-140.40000114.1
198V30.2Very low29.5Very low118 Ų118143 Ų14372%0.71575%0.747SS**  cis-152.3167.335.1-176.60000112.7
199Q31.3Very low29.8Very low167 Ų167141.9 Ų141.978%0.7875%0.749SS**  trans-28.9160.7168.4-58.1170.7-16.600117.7
200T24.3Very low30Very low123 Ų123137.8 Ų137.876%0.75575%0.745SS**  -158.4169.151.951.90000117.2
201D26Very low29.7Very low158 Ų158139.9 Ų139.985%0.84575%0.751SS**  trans78.6173.4149.2-120.9-59.5000121.7
202A27.9Very low29Very low67 Ų67139.7 Ų139.755%0.55475%0.75SS**  trans-135.7177.9-151.400000114.9
203T27.3Very low28.8Very low129 Ų129135.8 Ų135.879%0.79175%0.749SS**  trans63.8178.1171.362.70000113.6
204T28.4Very low29.3Very low107 Ų107136.4 Ų136.466%0.65675%0.75SS**  cis-154.5156.99.2-17.10000111.4
205R27.1Very low28.7Very low212 Ų212139.2 Ų139.280%0.875%0.752SS**  trans45.7128.9135.1-81-167.9112.4145.59.7122.2
206D26.1Very low29.4Very low102 Ų102135.3 Ų135.355%0.54575%0.746SS.*  98.311263.3-169.7-2000112.1
207K30.5Very low29.8Very low214 Ų214134.9 Ų134.993%0.9375%0.75SS**  trans-142.280.6166.2-83.8-163.8176.41800112.1
208K27.6Very low29.5Very low182 Ų182138.4 Ų138.479%0.79175%0.753SS**  trans-58.3162.6148.7177.9-179.3177-1750110.3
209P39.5Very low29.2Very low120 Ų120140.9 Ų140.978%0.77976%0.757SS**  cis-124.1-167.912.217.89.5000115.8
210A28.1Very low28.9Very low93 Ų93140.7 Ų140.777%0.76976%0.76SS**  trans-117.6158.8172.900000112.3
211E25.7Very low29.7Very low158 Ų158140 Ų14074%0.73876%0.758SS**  trans-167155.7141.1-95.5-1259900113.6
212K25.5Very low29.6Very low160 Ų160142.6 Ų142.670%0.69676%0.756SS**  trans14.7129.8163.2-59.8-173.7-175.180.80124.4
213S25.7Very low29.7Very low119 Ų119145.6 Ų145.683%0.83276%0.758SS**  trans63.8166136.4-90.20000121.3
214P34.3Very low29.7Very low122 Ų122147.1 Ų147.179%0.79275%0.754SS**  cis-129.5-172-3.239.4-21.2000116.1
215D22.1Very low29.6Very low150 Ų150149.2 Ų149.280%0.80276%0.756SS**  trans-68.7179.8165.5-104.7-38.1000114.1
216P49.6Very low29.7Very low107 Ų107144.5 Ų144.570%0.69576%0.756SS**  cis-126.7-178.4-44.241.2-25.5000111
217P37Very low29.8Very low116 Ų116146.2 Ų146.275%0.75377%0.77SS**  -145.6170.282.724.61.3000113.7
218K24.6Very low30.2Very low183 Ų183142 Ų14280%0.79676%0.764SS**  43.4143.177.9-61-177.1177-175.80115.3
219E24.9Very low30.1Very low170 Ų170137.7 Ų137.779%0.79476%0.762SS**  cis-153.9-170.225.9-150.5143.7-120.100114.6
220L25.1Very low29.6Very low162 Ų162139 Ų13985%0.84877%0.768SS**  trans-118.7-165.5-179.6-66.7164.9000109.9
221P40.1Very low29.6Very low108 Ų108141.5 Ų141.570%0.70176%0.764SS**  cis-138-172.5-8.842.3-23.4000116.8
222R24Very low30.2Very low213 Ų213139.5 Ų139.580%0.80477%0.765SS**  trans72.3149.4168.4-71.7-178.2177.9-132.68.5116.5
223H30.2Very low30.1Very low131 Ų131139.6 Ų139.661%0.60677%0.77SS**  cis-151.4147.910.2-133.4-51.4000113.8
224K27.2Very low30.3Very low160 Ų160143.8 Ų143.870%0.69677%0.773SS**  trans61.9116150.9-98.5173162.9-88.30122.3
225E26.2Very low30.3Very low152 Ų152145.1 Ų145.171%0.7178%0.779SS**  85.1100.8117.9-160.7168156.700122.5
226S29.4Very low30.7Very low113 Ų113149 Ų14979%0.7978%0.782SS**  175.6140.1116.5400000115.8
227V29Very low29.8Very low138 Ų138154.1 Ų154.184%0.83679%0.788SS**  trans8.3131.1144.8-173.30000117.7
228P37.8Very low29.5Very low126 Ų126152.9 Ų152.982%0.81878%0.782SS**  -143.3-173.45841-21.4000117.3
229A25.4Very low29.7Very low90 Ų90152.6 Ų152.674%0.74478%0.783SS**  trans-101.5153.2-172.400000114.9
230T29.5Very low29.8Very low149 Ų149152.7 Ų152.791%0.91478%0.783SS**  trans-166.7152.8135.59.80000111.6
231E29.3Very low29.9Very low144 Ų144149.1 Ų149.167%0.67378%0.777SS**  trans-55.1166.3169-87.3-75.7122.400113.2M233E231-M233 VanDerWaalsContact OE2-CG 3.3Å; E231-M233 WeakPolarHBondContact OE2-CG 3.09Å; E231-M233 PolarHBondContact OE2-N 2.98Å; E231-M233 VanDerWaalsContact OE2-N 3.12Å
232P37.5Very low29.5Very low116 Ų116152.5 Ų152.575%0.75378%0.784SS**  cis-141.2157.929.640.4-20.6000121.4
233M23.8Very low29.8Very low163 Ų163148 Ų14880%0.80378%0.775SS**  trans16.1126.6148-58-166.417500121.7E231E231-M233 VanDerWaalsContact OE2-CG 3.3Å; E231-M233 WeakPolarHBondContact OE2-CG 3.09Å; E231-M233 PolarHBondContact OE2-N 2.98Å; E231-M233 VanDerWaalsContact OE2-N 3.12Å
234K29.8Very low29.9Very low206 Ų206151.5 Ų151.590%0.89678%0.783SS**  trans-139.8138.4144.1-77.1180-179.4169.70109.4
235T33.4Very low30Very low150 Ų150151.9 Ų151.992%0.9279%0.785SS**  trans-138.4138.8165.841.60000111.9
236R31.7Very low30.3Very low233 Ų233151.3 Ų151.388%0.87979%0.786SS**  trans-149.398.7172.5-178.6-167.5179.2-159.6-0.3110.2
237R29.8Very low30.3Very low214 Ų214150.4 Ų150.481%0.80878%0.78SS**  trans61.2152144.1-150.7-177.7-159.4-130.86.5119.4
238S30.5Very low30.2Very low89 Ų89148.7 Ų148.762%0.62278%0.78SS**  trans71.6147.7156.718.60000117.5
239Q30.5Very low29.8Very low177 Ų177146.8 Ų146.883%0.82778%0.775SS**  cis-162.3168.1-12.5-124.3161.9-24.200112.4
240H25.8Very low30Very low173 Ų173148.5 Ų148.580%0.80178%0.776SS**  trans-23140.4168.1-111-109.5000121.7
241A27.8Very low30.2Very low87 Ų87149.5 Ų149.572%0.71977%0.771SS**  trans-178.9132.1134.800000107.8
242E32.2Very low30Very low179 Ų179148.7 Ų148.784%0.83678%0.776SS**  67.4136.663.5-65.3-170.3159.600113.3
243D29.1Very low29.5Very low117 Ų117146.1 Ų146.163%0.62677%0.77SS**  cis-157.1175.63.8-179.124.1000110
244R32Very low30.7Very low206 Ų206144.1 Ų144.178%0.77777%0.769SS**  trans57.1134.9157.5-84.2161.9159.594.8-10120.5
245K29Very low30.6Very low168 Ų168141 Ų14173%0.7377%0.767SS**  cis100.2121.619.7-165.3-133.4179.3-175.20114.6
246L32.4Very low30.7Very low140 Ų140142.4 Ų142.473%0.73377%0.765SS**  trans77154.1170.6-57-171.7000117.7
247S29.5Very low30.8Very low94 Ų94135.4 Ų135.466%0.65776%0.757SS**  cis-177.8150.9-21.454.50000112.7
248A28.1Very low31Very low102 Ų102131.9 Ų131.984%0.84376%0.759SS**  trans62.2165.9155.700000116.9
249A29.4Very low31.3Very low86 Ų86131.8 Ų131.871%0.71176%0.764SS**  cis-155.1164.2-25.200000106.9
250T28.5Very low31.4Very low125 Ų125128.3 Ų128.377%0.76777%0.766SS**  161.7169101.1-64.30000109.8
251Q33.2Very low31.8Very low171 Ų171124.7 Ų124.780%0.79977%0.766SS**  trans-51.5171.3170.7-48.3151.435.200113.3
252T25.7Very low32Very low127 Ų127129.3 Ų129.378%0.77977%0.769SS**  cis-153.2-179.630.857.50000113.1
253G26.5Very low31.8Very low61 Ų61125.4 Ų125.463%0.62976%0.758SS**  trans-102.9-148.2155.300000111.5
254P49.4Very low32.1Very low121 Ų121126.7 Ų126.779%0.78676%0.764SS**  cis-147.1-168.4-9.445.4-26.4000116.3
255V28.6Very low31.8Very low140 Ų140124.2 Ų124.285%0.84876%0.762SS**  trans79.6153.9155.3173.70000121.1
256M34.6Very low31.7Very low181 Ų181120.4 Ų120.489%0.89276%0.756SS**  trans-117.9167.2-175.8-40.5168.6-72.200112.7
257A35.2Very low31.3Very low85 Ų85122.7 Ų122.770%0.70276%0.763SS**  trans-166.8136.9154.900000117.5
258T33.8Very low31.2Very low140 Ų140127.1 Ų127.186%0.85977%0.77SS**  trans63.4153140.553.40000123.4
259A35.2Very low31.8Very low88 Ų88127 Ų12773%0.72776%0.761SS**  cis-173.3167.4-17.200000115
260A34.2Very low31.6Very low104 Ų104127 Ų12786%0.8676%0.761SS**  trans72.2145152.300000120.6
261A34Very low31.5Very low97 Ų97129.6 Ų129.680%0.80276%0.764SS**  cis-157.3-158.1-6.400000109.5
262K32.3Very low31.1Very low183 Ų183133 Ų13380%0.79677%0.77SS**  cis-166.21668.9-148.9-155.7169-175.90112.8
263T27.9Very low31Very low97 Ų97132.1 Ų132.160%0.59577%0.769SS**  trans5.6136.7147.2-56.20000120
264L34.6Very low31.6Very low145 Ų145134.1 Ų134.176%0.75977%0.771SS**  cis-149.1-125.4-10.8-158.268.4000112.5
265E25.1Very low30.4Very low154 Ų154135 Ų13572%0.7277%0.774SS**  cis-152.5168.616-96.1-52.515300114.6
266S27.1Very low30.4Very low88 Ų88131.6 Ų131.662%0.61577%0.767SS**  trans37.2115.7170.6-129.70000125.5
267E24Very low30.1Very low187 Ų187128.4 Ų128.487%0.87476%0.758SS**  trans85.5160.2133.8-82.9-178.1131.300126.7
268K27.2Very low29.8Very low188 Ų188130.6 Ų130.682%0.81776%0.758SS**  trans-158.2-173.8-159.8-138.3-159.1150.1-170.80106.4
269P41.8Very low29.6Very low99 Ų99130.8 Ų130.864%0.64375%0.748SS**  cis-141.2-172.3-6.245.3-26.7000117.6
270A25.3Very low29.2Very low85 Ų85133.6 Ų133.670%0.70275%0.746SS**  trans71.8121.6155.800000117.8
271E24.9Very low28.8Very low180 Ų180135.6 Ų135.684%0.84174%0.738SS**  86.3111.852-85.7-159.791.500115.5
272R25.7Very low28.4Very low244 Ų244139 Ų13992%0.92174%0.737SS**  -172.2142.4115.2-101.7170.2-172.2-163.31.4111.9
273S24.1Very low28.1Very low108 Ų108138.9 Ų138.976%0.75574%0.739SS**  trans-88.4177157.2620000109.5
274P37.8Very low27.9Very low103 Ų103142 Ų14267%0.66975%0.745SS**  -154.1179.183.440.8-21.7000116.2
275T25.5Very low27.6Very low138 Ų138142.7 Ų142.785%0.84774%0.744SS**  trans61.2144.9159.244.70000118.6
276G27.6Very low27.6Very low70 Ų70143.8 Ų143.872%0.72275%0.749SS**  cis164.8167.62.700000109
277T29.3Very low27.4Very low114 Ų114146.3 Ų146.370%0.69975%0.749SS**  cis-168121.815.9-74.90000110
278L28.1Very low27.4Very low131 Ų131143.5 Ų143.569%0.68674%0.74SS**  trans62159.1154-55.1174.4000119.7
279H29Very low27.3Very low144 Ų144143 Ų14367%0.66774%0.741SS**  cis-129.9148.9-15.4-96.9-64000106.2
280E27.1Very low26.5Very low147 Ų147146.8 Ų146.869%0.68775%0.75SS**  62.6137.666.8-90.7171.5141.400113.9
281E27.1Very low26.6Very low146 Ų146151.4 Ų151.468%0.68276%0.757SS**  cis-131.7145.918.1-81.9-165.278.900116.5
282Q25.5Very low26.7Very low169 Ų169151.2 Ų151.279%0.7975%0.753SS**  trans60.2148.8141.2-60.9-166.844.300123.4
283Q25.1Very low27.7Very low179 Ų179144.3 Ų144.384%0.83674%0.74SS**  trans-130.5169.5-178.4-52.6175.1-28.200110
284K24.1Very low28.3Very low164 Ų164144.2 Ų144.271%0.71374%0.737SS**  trans80.2102.3133.3-162-179.4-176.5-158.80120.9
285E28.2Very low27.7Very low159 Ų159147.3 Ų147.374%0.74374%0.742SS**  42.2109.6115.5173.2-163.6-120.800120.3
286E24.2Very low28Very low177 Ų177145.6 Ų145.683%0.82774%0.736SS**  trans-175.8168.8138-95.4-158.3118.400106.9
287K24.1Very low28.8Very low140 Ų140147.4 Ų147.461%0.60974%0.735SS**  cis-179.6150.3-30.6173.3179166.5-68.60106.8
288D23.3Very low28.8Very low129 Ų129147 Ų14769%0.6973%0.732SS**  trans63.5165.8-178.9-53.4-34.1000114.2
289E25.9Very low28.8Very low177 Ų177149.4 Ų149.483%0.82774%0.737SS**  cis-129.1157.412.1-83.5-173.3141.600115
290E24.9Very low28.6Very low178 Ų178152.3 Ų152.383%0.83275%0.748SS**  trans31.3118.9134-155.9151.9116.100121.9
291E28.1Very low28.6Very low183 Ų183150.5 Ų150.586%0.85575%0.752SS**  -169.4163.699.8-131.4-164.6138.800113.9
292K26.4Very low29.8Very low176 Ų176148.9 Ų148.977%0.76575%0.754SS**  trans-163.1152.2178.7-160.2-140.2172.8-167.80104.9
293P45.6Very low30.7Very low98 Ų98145.9 Ų145.964%0.63675%0.749SS**  cis-132.2-141.314.939.2-13.7000110.1
294P37.9Very low30.8Very low107 Ų107145 Ų14570%0.69575%0.749SS**  cis-134143.5-9.336.5-15.8000119.2
295E25.7Very low31Very low167 Ų167146.6 Ų146.678%0.7876%0.756SS**  trans21.7128.4130.7-81.4-171.4103.400123.8
296S31.3Very low31.3Very low102 Ų102144.2 Ų144.271%0.71375%0.754SS**  90.3166.5123.684.10000119.7
297P44.9Very low31.4Very low108 Ų108143.5 Ų143.570%0.70175%0.754SS**  cis-148-165.7-4538-18.3000116
298V27.8Very low31.5Very low105 Ų105141 Ų14164%0.63676%0.76SS**  trans114.391.8134.71500000121.4
299K28.2Very low31.7Very low182 Ų182142.1 Ų142.179%0.79177%0.766SS**  58150.9123.6-55.6171.7-170.1165.80123.8
300K26.2Very low31.8Very low205 Ų205139.5 Ų139.589%0.89176%0.762SS**  trans102.6157151.8-74.3172.6179179.20118.4
301S25.7Very low32Very low110 Ų110139.4 Ų139.477%0.76976%0.758SS**  trans-146.2-147.4-160.245.40000111.7
302P52.8Low31.9Very low112 Ų112136.4 Ų136.473%0.72775%0.748SS**  -87-158.2-124.945-29.5000112.9
303P45.3Very low31.9Very low105 Ų105135.1 Ų135.168%0.68275%0.75SS**  cis-145.3-164.47.936.8-11.2000117.3
304L26.8Very low31.2Very low161 Ų161137.8 Ų137.884%0.84375%0.754SS**  trans129.7147.3144.4-66.3177.7000117
305K27.2Very low30.6Very low197 Ų197139.2 Ų139.286%0.85776%0.755SS**  trans-118.5152.3156.6-61-177.4176.1-176.60106.2
306P35.4Very low30.6Very low109 Ų109137.1 Ų137.171%0.70875%0.753SS**  -159.8155.988.540.5-20.5000119.2
307I26.2Very low30.3Very low163 Ų163138.5 Ų138.584%0.83676%0.758SS**  trans68.9144.9135.4-68.7169000122.5
308A26.9Very low29.3Very low88 Ų88138 Ų13873%0.72776%0.762SS**  trans74.4156.3160.100000120.1
309D26.9Very low29.2Very low152 Ų152138.1 Ų138.181%0.81378%0.775SS**  cis-168.1-169.6-40.8-144.8-65.2000108.6
310V28.2Very low29.1Very low121 Ų121140.5 Ų140.573%0.73378%0.778SS**  trans74.584.7164.2-164.40000118.9
311K27.8Very low29.5Very low176 Ų176136.6 Ų136.677%0.76577%0.774SS**  36.5134.9104.7-147.4177.8178.5-81.20121.7
312D27.7Very low29.5Very low121 Ų121135.2 Ų135.265%0.64777%0.769SS**  trans92.8159.6140.5-112.3-42.7000125.1
313D26.2Very low28.3Very low148 Ų148134.7 Ų134.779%0.79177%0.774SS**  trans89.3165.3153-106.3-55.2000123.7
314Q29.1Very low27.3Very low154 Ų154132.9 Ų132.972%0.7278%0.775SS**  trans-143.2164-143.7-159.3-170.9104.200113.4
315L27.2Very low27.3Very low137 Ų137132.2 Ų132.272%0.71777%0.773SS**  trans77.3111.6145.2-147.667.9000120.9
316V25.2Very low27.4Very low123 Ų123131.3 Ų131.375%0.74577%0.771SS**  trans69.2136.9137.9175.50000117
317T24.5Very low27Very low132 Ų132133.8 Ų133.881%0.8177%0.773SS**  -159.8165.759.6-34.50000114.2
318A24Very low27.1Very low96 Ų96131.4 Ų131.479%0.79377%0.766SS**  trans-59.1163.8-174.800000120.1
319A24.8Very low27Very low109 Ų109131.3 Ų131.390%0.90177%0.766SS**  trans-151.1149.113500000111.4
320R26.9Very low26.9Very low231 Ų231130.1 Ų130.187%0.87277%0.769SS**  trans-143.2141176.6-172.9-166.5-176.8-153.22.6109.5
321P35.4Very low26.9Very low123 Ų123132.4 Ų132.480%0.79977%0.772SS**  -145.7174.1128.431.1-12.7000113
322A25.4Very low27.7Very low81 Ų81130 Ų13067%0.66977%0.774SS**  cis-172.8174.2-30.900000110.5
323A26.3Very low27.5Very low101 Ų101127.2 Ų127.284%0.83577%0.774SS**  trans81.2140.7162.500000121.6
324G24.8Very low27.4Very low68 Ų68125.3 Ų125.370%0.70178%0.779SS**  trans89.9102.6173.300000114.3
325D28Very low27.3Very low147 Ų147122.7 Ų122.779%0.78678%0.784SS**  cis98.3149.615.1-57.1-55.3000117
326E28.8Very low27.5Very low178 Ų178121 Ų12183%0.83278%0.783SS**  trans74.6158.7-177.5-54.7-71.897.800119.1
327E27.7Very low27.6Very low160 Ų160121.6 Ų121.675%0.74878%0.782SS**  -153.5177.9-76.7-143.7-164.674.500110.4
328V27.2Very low27.8Very low114 Ų114118.9 Ų118.969%0.69177%0.773SS**  trans50.7111.1166.3-172.80000118.4
329A25.3Very low28Very low86 Ų86121.3 Ų121.371%0.71177%0.768SS**  cis84.7121.941.500000117
330S25.1Very low28.1Very low127 Ų127123.2 Ų123.289%0.88876%0.756SS**  trans-176.5118.3144.3-80.90000113.5
331E27.2Very low28.6Very low168 Ų168123.2 Ų123.279%0.78576%0.756SS**  trans-87.3162154.9-109.3-8413400107.6G333E331-G333 PolarHBondContact OE2-N 3.17Å
332P44Very low28.4Very low126 Ų126126.7 Ų126.782%0.81876%0.758SS**  -151.6150.772.938.4-18000118.3
333G23.6Very low28.2Very low62 Ų62129.2 Ų129.264%0.63977%0.766SS**  trans-99.1169.8168.600000117.3E331E331-G333 PolarHBondContact OE2-N 3.17Å
334A25.3Very low28.2Very low108 Ų108131.5 Ų131.589%0.89376%0.763SS**  trans-165.7146.4166.800000108.8
335A27.2Very low28.1Very low100 Ų100133.5 Ų133.583%0.82677%0.766SS**  cis-150.8-179.3-5.700000110.3
336S30.9Very low28.1Very low101 Ų101134.6 Ų134.671%0.70677%0.767SS**  trans-83.6-178.817963.50000112.9
337D26.3Very low28.1Very low135 Ų135131 Ų13172%0.72276%0.757SS**  cis-171.4-172.737.7-144.6-75.8000114.4
338A30.3Very low28Very low76 Ų76132.5 Ų132.563%0.62876%0.764SS**  trans77.487.2145.100000123.6
339H27.4Very low28.1Very low147 Ų147130.6 Ų130.668%0.68177%0.767SS**  74121.9110.5-81.6-3.6000125.5
340K27.6Very low28.1Very low148 Ų148134.7 Ų134.764%0.64377%0.772SS**  81.1124.2123-76.4172.5175.2148.40123.6
341R36Very low28.5Very low232 Ų232134.3 Ų134.388%0.87576%0.764SS**  trans97.3152.6135.5-76.7179.1-67.1-171.8-0.6121
342K31.5Very low28.7Very low195 Ų195132.1 Ų132.185%0.84876%0.762SS**  trans-84169.6175.5-50.8165.5178.8175.50110.7
343T22.6Very low28.8Very low135 Ų135132.1 Ų132.183%0.82876%0.762SS**  174.9164.7110.3-65.30000110.5
344L24.8Very low29.1Very low149 Ų149136.2 Ų136.278%0.7877%0.765SS**  trans-80.3161.2172.1-71.874.7000112
345S24Very low29.6Very low109 Ų109138 Ų13876%0.76275%0.753SS**  -175.3111.2125.654.80000113.5
346E26.5Very low30Very low170 Ų170144.6 Ų144.679%0.79476%0.756SS**  25.1167.3126.5-82.6172.1106.800126.3
347T29.4Very low30.8Very low103 Ų103144.5 Ų144.563%0.63275%0.753SS**  trans89.8119.614935.10000123.5
348E26.6Very low31.1Very low191 Ų191149 Ų14989%0.89376%0.76SS**  trans64.9156.5139.9-65156.6-171.300119.2
349G28.2Very low31.2Very low74 Ų74152.6 Ų152.676%0.76377%0.767SS**  cis159.4161.9-5.300000109.7
350E26.5Very low31.4Very low173 Ų173150.4 Ų150.481%0.80877%0.769SS**  cis-171.5-173.1-17-139.8-65.687.200108.1
351V32Very low31.4Very low119 Ų119148.1 Ų148.172%0.72177%0.771SS**  trans95.8151.9159-1660000119.1
352T32.6Very low31.1Very low122 Ų122143.5 Ų143.575%0.74877%0.769SS**  trans-115.8177.3-175.558.70000113.2
353P45.7Very low31Very low125 Ų125138.8 Ų138.881%0.81276%0.761SS**  -154.8-158.8113.240-19.8000116
354E30.7Very low31.5Very low148 Ų148136.8 Ų136.869%0.69275%0.752SS**  trans-129.5-153.2-174.3-64.6174.665.200112
355K35.4Very low31.7Very low147 Ų147135.8 Ų135.864%0.63975%0.752SS**  cis-169.8111.113.8-148.1152.4-168.8140.80116.4
356R35.9Very low32Very low237 Ų237135.3 Ų135.389%0.89475%0.748SS**  trans61.7-175.6156.1-91.9175.7-176.9169.32.1116.9
357P46.9Very low32.2Very low100 Ų100132.7 Ų132.765%0.64975%0.749SS**  cis-138.6179.9-33.534.6-14.8000117.3
358R33.2Very low32.1Very low230 Ų230134.9 Ų134.987%0.86876%0.762SS**  trans92.1144.6133.4-103.9176.2-165.4170.53.2124.4
359L31.6Very low32.3Very low150 Ų150130.8 Ų130.879%0.78575%0.754SS**  trans88.597.9153.3-64.3-169.5000124.6
360S32.1Very low32.4Very low101 Ų101133.1 Ų133.171%0.70676%0.759SS**  65.9130.411474.10000126.6
361S26.9Very low32.6Very low100 Ų100128.9 Ų128.970%0.69975%0.753SS**  99.9128.7126.9-130.60000122.6
362V31.1Very low32.6Very low135 Ų135128.6 Ų128.682%0.81876%0.757SS**  trans47.4162.8150.6-62.90000122.1
363S27.5Very low32.6Very low97 Ų97127.6 Ų127.668%0.67876%0.755SS**  cis-173.7164.2-38.2-170.80000109.9
364S33.6Very low31.9Very low92 Ų92129.8 Ų129.864%0.64376%0.758SS**  trans85.6116.5143-62.60000123.3
365V30Very low31.8Very low128 Ų128128 Ų12878%0.77676%0.762SS**  84.1139.9122.1-560000125.9
366S30.4Very low31.7Very low99 Ų99126.6 Ų126.669%0.69277%0.771SS**  trans68.2134.5146.847.50000120.2
367S30.5Very low32.3Very low115 Ų115121.4 Ų121.480%0.80477%0.768SS**  cis108.1121.216.5-700000113.6
368V26.9Very low31.5Very low149 Ų149121.2 Ų121.290%0.90377%0.774SS**  trans-145.1154.6159.2-73.60000109.7
369S30.1Very low31.5Very low106 Ų106116.8 Ų116.874%0.74177%0.773SS**  trans-147.6155.3-171.9-560000112.6
370S32Very low32.3Very low122 Ų122115.8 Ų115.885%0.85378%0.775SS**  trans71155.4160.3-48.30000116.1
371A28.8Very low32.5Very low84 Ų84116.1 Ų116.169%0.69478%0.778SS**  cis-161.8166.14.500000112.2
372S33.5Very low33.4Very low113 Ų113117.2 Ų117.279%0.7978%0.782SS**  trans56.5158.5141.2-61.10000122.5
373S31.1Very low33.5Very low102 Ų102116 Ų11671%0.71378%0.78SS**  cis-177.8134.4-22.4-87.70000110.1
374I30.9Very low33.9Very low171 Ų171120.2 Ų120.288%0.87779%0.789SS**  trans169.7153.6150.243.7172.8000109.2
375S29Very low34.1Very low110 Ų110126.7 Ų126.777%0.76980%0.799SS**  cis-162.9155.9-12.345.90000110.4
376S34.3Very low34.1Very low118 Ų118127.1 Ų127.183%0.82580%0.802SS**  trans-98.6168.9179.2-47.40000113.5
377P47.6Very low34.7Very low128 Ų128127.4 Ų127.483%0.83180%0.801SS**  -145.2174.189.934.8-16.7000114.2
378A30.9Very low35.2Very low96 Ų96128 Ų12879%0.79380%0.803SS**  cis-159.5174.6-22.500000110.8
379T32.8Very low35.7Very low137 Ų137128.8 Ų128.884%0.8480%0.801SS**  trans-92.2-177.8-167.939.20000114.4
380P48.3Very low35.9Very low128 Ų128133.4 Ų133.483%0.83181%0.808SS**  cis-136.4-179.613.739.6-18.2000118.8
381S35.5Very low36.4Very low109 Ų109135.2 Ų135.276%0.76281%0.806SS**  trans-112.2168.3-176.564.30000113.3
382P46.9Very low36.8Very low122 Ų122137 Ų13779%0.79281%0.811SS**  -129-178.384.1618000113
383S33.2Very low36.9Very low111 Ų111138 Ų13878%0.77681%0.812SS**  cis-164.4177.3-18.755.20000110.1
384Q34.6Very low37.1Very low184 Ų184138.5 Ų138.586%0.8682%0.815SS**  trans-142.5155.5175.4-68.6-176.7-22.900108.9
385R38.4Very low37.3Very low228 Ų228141.4 Ų141.486%0.8682%0.815SS**  cis72.512340.6-175.1-176.8-81.8-176-2.9114.5
386V31.2Very low37.5Very low138 Ų138144.3 Ų144.384%0.83682%0.82SS**  trans-135.3127.8175-178.90000111.2
387P41.2Very low37.4Very low104 Ų104146.3 Ų146.368%0.67582%0.821SS**  trans-103177.4171.840.2-33000112.4
388P41.2Very low37.1Very low128 Ų128145.5 Ų145.583%0.83182%0.815SS**  trans-84.5155.9-152.232.7-36.9000117.1
389L37.2Very low37.1Very low166 Ų166147.1 Ų147.187%0.86982%0.815SS**  trans-81.6154.1-177.7-66.5169.2000114
390K35Very low37.8Very low203 Ų203145.4 Ų145.488%0.88381%0.807SS**  trans-133.5136.4168.4-67.5172.8180171.60108.4
391I41.7Very low36.8Very low160 Ų160147 Ų14782%0.82181%0.807SS**  trans-115.3117.9-178.4-58.1177.1000110
392P37.6Very low36.6Very low121 Ų121146.9 Ų146.979%0.78681%0.806SS**  trans-89161.9171.235.4-33000112.3
393V35.4Very low36.6Very low134 Ų134147.1 Ų147.181%0.81281%0.808SS**  trans-114.2134.2-174.6179.50000111.5
394S36.4Very low36.2Very low112 Ų112147.7 Ų147.778%0.78381%0.812SS**  trans-161.2113158.2-86.70000116
395R35.2Very low36.4Very low233 Ų233146.7 Ų146.788%0.87981%0.807SS**  trans26.1127.1135.7-51.9176.6-175-177.91.8120.6
396I33.6Very low35.9Very low171 Ų171141.9 Ų141.988%0.87780%0.803SS**  trans-133.5156.9143.3-62.2-175.4000108.7
397L31.1Very low35.9Very low160 Ų160140.3 Ų140.384%0.83880%0.798SS**  trans-109.9165.7-175-77.6165.7000113
398P42.1Very low36.3Very low110 Ų110140.9 Ų140.971%0.71480%0.802SS**  trans-98.9-170.5-17437.4-33.5000115.3
399V30.1Very low36.1Very low130 Ų130143.8 Ų143.879%0.78880%0.801SS**  trans91.5139.1165.51770000116.1
400P48.8Very low36.2Very low102 Ų102141.8 Ų141.866%0.66280%0.796SS**  cis-140.5-173.1-32.940.1-20.6000114.6
401L25.4Very low36.3Very low160 Ų160137.9 Ų137.984%0.83879%0.792SS**  178.1172.2121.9-95.9173.5000113.2
402S31.4Very low36Very low108 Ų108138.2 Ų138.276%0.75579%0.794SS**  trans-150.3-174.8-175.8-49.80000108.1
403P47.3Very low35.7Very low126 Ų126142.2 Ų142.282%0.81880%0.802SS**  cis-145.5175.614.844.8-25.5000118.7
404S25.1Very low35.5Very low123 Ų123139 Ų13986%0.8680%0.796SS**  trans-167176.6135.6-157.60000111.4
405Q38.5Very low35.5Very low164 Ų164140 Ų14077%0.76680%0.8SS**  trans-107.3-176.4-167.6-79.2-75.63.100113
406V29.1Very low35.4Very low126 Ų126137.2 Ų137.276%0.76480%0.802SS**  cis-150.6-152.324.9-145.50000113.5
407S31Very low35.4Very low105 Ų105135 Ų13573%0.73480%0.801SS**  trans-161.9170.4-178.7-92.70000109.6
408P49.8Very low35.6Very low116 Ų116132.5 Ų132.575%0.75380%0.798SS**  cis-152.2175.434.343.5-22000121.1
409K36.4Very low35.8Very low189 Ų189133.4 Ų133.482%0.82280%0.803SS**  trans71.2102148.5-86-179.1173.11760123.9
410T39.1Very low36.7Very low124 Ų124130.4 Ų130.476%0.76180%0.799SS**  40.6138.8124.841.40000122.7
411P37.9Very low36.3Very low122 Ų122134.4 Ų134.479%0.79281%0.809SS**  -146.8161.964.540.9-22.7000120.5
412L33.8Very low37.6Very low167 Ų167134.4 Ų134.487%0.87482%0.815SS**  trans11.3125.1158.6-67.4168.1000122.4
413Q31Very low38.5Very low204 Ų204131.6 Ų131.695%0.95380%0.803SS**  -145.4160.6121.1-96.2-172.622.600109.7
414G33.3Very low38.6Very low67 Ų67130.6 Ų130.669%0.69181%0.806SS**  trans-105.2154.1-16200000116.4
415P35.9Very low40.6Very low134 Ų134132.8 Ų132.887%0.8780%0.795SS**  trans-73.3137.2-178.5-1731.9000114.5
416L32.1Very low42.4Very low173 Ų173130 Ų13091%0.90679%0.789SS**  trans-70.4145.6169.1-64.2167.1000110.8S418L416-S418 PolarHBondContact O-N 2.89Å
417S33.1Very low44.4Very low124 Ų124130.9 Ų130.987%0.86779%0.789SS**  trans-82.6114.7175.5-680000111.4
418S35.6Very low46.7Very low109 Ų109129.1 Ų129.176%0.76278%0.781SS**  trans-67.4137.4172.5530000112.2L416L416-S418 PolarHBondContact O-N 2.89Å
419P47.9Very low48.4Very low128 Ų128129.1 Ų129.183%0.83177%0.767SS**SBendtrans-67.9156.4167.1-14.729.8000111.7
420G48Very low50.9Low68 Ų68124.5 Ų124.570%0.70175%0.75SS**  trans96.662.7162.600000117.5
421H40.6Very low53.3Low186 Ų186125.4 Ų125.486%0.86174%0.743SS**  trans-142.6100.4152.8-109.1-63.1000111G423H421-G423 VanDerWaalsContact C-N 3.28Å; H421-G423 PolarHBondContact O-N 3.35Å; H421-G423 VanDerWaalsContact O-N 3.17Å
422T51.6Low55.6Low159 Ų159122 Ų12298%0.97573%0.726SS**  trans-89.565.4176.8-43.40000109.6
423G50.7Low58.2Low49 Ų49119.9 Ų119.951%0.50571%0.709SS.*SBendtrans-128.1157.817900000111.8H421 R425H421-G423 VanDerWaalsContact C-N 3.28Å; H421-G423 PolarHBondContact O-N 3.35Å; H421-G423 VanDerWaalsContact O-N 3.17Å; G423-R425 PolarHBondContact O-N 3.05Å; G423-R425 VanDerWaalsContact O-N 3.08Å
424A49.7Very low61.1Low105 Ų105111.9 Ų111.987%0.86868%0.678SS**  trans-49.9113-17100000113.2T426A424-T426 PolarHBondContact O-N 3.26Å; A424-T426 VanDerWaalsContact O-N 3.13Å
425R66.4Low64Low169 Ų169113.8 Ų113.864%0.63867%0.669SS**  trans-73.6104.2178.3-71.7176.6178.3154.94.6110.1G423 Y429 I430G423-R425 PolarHBondContact O-N 3.05Å; G423-R425 VanDerWaalsContact O-N 3.08Å; R425-Y429 HydrophobicContact CB-CD1 4.18Å; R425-Y429 HydrophobicContact CG-CD1 4.08Å; R425-Y429 HydrophobicContact CG-CE1 4.35Å; R425-I430 HydrophobicContact CB-CD1 4.47Å; R425-I430 HydrophobicContact CB-CG1 4.3Å
426T76.6Confident66.6Low106 Ų106112.2 Ų112.265%0.6565%0.653SS**  trans-48.4141.3174.9-40.30000111.6A424 A428 Y429 I430A424-T426 PolarHBondContact O-N 3.26Å; A424-T426 VanDerWaalsContact O-N 3.13Å; T426-A428 HydrophobicContact CG2-CB 4.43Å; T426-A428 PolarHBondContact O-N 2.97Å; T426-Y429 WeakPolarHBondContact O-CB 3.47Å; T426-Y429 PolarHBondContact O-N 3.37Å; T426-I430 PolarHBondContact O-N 3.48Å
427L71.8Confident69.2Low145 Ų145105.6 Ų105.676%0.75962%0.623SS**Hα-helixtrans-51.1-31.4179.6-70.3172.3000113.3I430 K431L427-I430 PolarHBondContact O-N 3.17Å; L427-K431 VanDerWaalsContact O-CB 3.31Å; L427-K431 WeakPolarHBondContact O-CB 3.3Å; L427-K431 PolarHBondContact O-N 3.43Å
428A78.6Confident71.8Confident67 Ų67106 Ų10655%0.55461%0.605SS**Hα-helixtrans-58.5-43.3172.800000113.4T426 K431 A432T426-A428 HydrophobicContact CG2-CB 4.43Å; T426-A428 PolarHBondContact O-N 2.97Å; A428-K431 PolarHBondContact O-N 2.76Å; A428-A432 VanDerWaalsContact O-CB 3.25Å; A428-A432 WeakPolarHBondContact O-CB 3.46Å; A428-A432 PolarHBondContact O-N 3.3Å
429Y86.7Confident74.2Confident117 Ų117103.5 Ų103.546%0.45959%0.592SS.*Hα-helixtrans-67.3-40.3177.5179.5-94.5000111.5R425 T426 A432 K433R425-Y429 HydrophobicContact CB-CD1 4.18Å; R425-Y429 HydrophobicContact CG-CD1 4.08Å; R425-Y429 HydrophobicContact CG-CE1 4.35Å; T426-Y429 WeakPolarHBondContact O-CB 3.47Å; T426-Y429 PolarHBondContact O-N 3.37Å; Y429-A432 PolarHBondContact O-N 2.99Å; Y429-K433 HydrophobicContact CE1-CD 4.29Å; Y429-K433 WeakPolarHBondContact O-CB 3.46Å; Y429-K433 PolarHBondContact O-N 2.7Å
430I87.6Confident76.3Confident91 Ų91103.1 Ų103.147%0.46758%0.579SS.*Hα-helixtrans-64.3-45.5176.1-58.1176.7000110.1R425 T426 L427 K433 A434R425-I430 HydrophobicContact CB-CD1 4.47Å; R425-I430 HydrophobicContact CB-CG1 4.3Å; T426-I430 PolarHBondContact O-N 3.48Å; L427-I430 PolarHBondContact O-N 3.17Å; I430-K433 PolarHBondContact O-N 3.19Å; I430-A434 VanDerWaalsContact O-CB 3.3Å; I430-A434 WeakPolarHBondContact O-CB 3.38Å; I430-A434 PolarHBondContact O-N 3.2Å
431K89.4Confident77.9Confident143 Ų143108.1 Ų108.162%0.62258%0.577SS**Hα-helixtrans-63.5-44.3177.3-167.7173.3-177.5177.60111.9L427 A428 A434 Q435L427-K431 VanDerWaalsContact O-CB 3.31Å; L427-K431 WeakPolarHBondContact O-CB 3.3Å; L427-K431 PolarHBondContact O-N 3.43Å; A428-K431 PolarHBondContact O-N 2.76Å; K431-A434 PolarHBondContact O-N 3.13Å; K431-Q435 WeakPolarHBondContact O-CG 3.45Å; K431-Q435 PolarHBondContact O-N 3.04Å; K431-Q435 PolarHBondContact O-OE1 3.03Å
432A87.9Confident79.7Confident52 Ų52104.3 Ų104.343%0.4357%0.566SS.*Hα-helixtrans-63.1-46.7176.400000112.1A428 Y429 A434 Q435 L436A428-A432 VanDerWaalsContact O-CB 3.25Å; A428-A432 WeakPolarHBondContact O-CB 3.46Å; A428-A432 PolarHBondContact O-N 3.3Å; Y429-A432 PolarHBondContact O-N 2.99Å; A432-A434 VanDerWaalsContact C-N 3.31Å; A432-A434 PolarHBondContact O-N 3.44Å; A432-Q435 PolarHBondContact O-N 2.97Å; A432-Q435 VanDerWaalsContact O-N 3.13Å; A432-L436 PolarHBondContact O-N 2.95Å
433K88.5Confident80.7Confident122 Ų12299.3 Ų99.353%0.5354%0.541SS..Hα-helixtrans-64.6-35.8177-165.4167.4-173.9171.80111.9Y429 I430 A437Y429-K433 HydrophobicContact CE1-CD 4.29Å; Y429-K433 WeakPolarHBondContact O-CB 3.46Å; Y429-K433 PolarHBondContact O-N 2.7Å; I430-K433 PolarHBondContact O-N 3.19Å; K433-A437 VanDerWaalsContact O-CB 3.29Å; K433-A437 WeakPolarHBondContact O-CB 3.42Å; K433-A437 PolarHBondContact O-N 2.87Å
434A90.9Very high81.6Confident36 Ų3699.7 Ų99.730%0.29854%0.539SS..Hα-helixtrans-69.6-31.7172.700000113.4I430 K431 A432 R438I430-A434 VanDerWaalsContact O-CB 3.3Å; I430-A434 WeakPolarHBondContact O-CB 3.38Å; I430-A434 PolarHBondContact O-N 3.2Å; K431-A434 PolarHBondContact O-N 3.13Å; A432-A434 VanDerWaalsContact C-N 3.31Å; A432-A434 PolarHBondContact O-N 3.44Å; A434-R438 WeakPolarHBondContact O-CG 3.28Å; A434-R438 PolarHBondContact O-N 3Å
435Q93.4Very high82.5Confident106 Ų10697.8 Ų97.850%0.49552%0.524SS..Hα-helixtrans-70.3-45.8171.8-76.3171.9-73.200111.5K431 A432 A437 R438 A439K431-Q435 WeakPolarHBondContact O-CG 3.45Å; K431-Q435 PolarHBondContact O-N 3.04Å; K431-Q435 PolarHBondContact O-OE1 3.03Å; A432-Q435 PolarHBondContact O-N 2.97Å; A432-Q435 VanDerWaalsContact O-N 3.13Å; Q435-A437 VanDerWaalsContact C-N 3.35Å; Q435-A437 PolarHBondContact O-N 3.37Å; Q435-R438 WeakPolarHBondContact O-CA 3.2Å; Q435-R438 WeakPolarHBondContact O-CB 3.43Å; Q435-R438 PolarHBondContact O-N 3.1Å; Q435-A439 PolarHBondContact O-N 3.13Å
436L91.3Very high82.4Confident102 Ų10292.5 Ų92.553%0.53452%0.516SS..Hα-helixtrans-58.8-45.6175.4-17761.8000111.4A432 R438 A439 Q440A432-L436 PolarHBondContact O-N 2.95Å; L436-R438 PolarHBondContact O-N 3.06Å; L436-A439 PolarHBondContact O-N 3.13Å; L436-A439 VanDerWaalsContact O-N 3.17Å; L436-Q440 HydrophobicContact CD1-CG 4.48Å; L436-Q440 WeakPolarHBondContact O-CG 3.31Å; L436-Q440 PolarHBondContact O-N 3.35Å
437A85.9Confident81.8Confident34 Ų3492.5 Ų92.528%0.28152%0.515SS..Hα-helixtrans-68.4-10.5175.600000114.2K433 Q435 R441K433-A437 VanDerWaalsContact O-CB 3.29Å; K433-A437 WeakPolarHBondContact O-CB 3.42Å; K433-A437 PolarHBondContact O-N 2.87Å; Q435-A437 VanDerWaalsContact C-N 3.35Å; Q435-A437 PolarHBondContact O-N 3.37Å; A437-R441 PolarHBondContact O-NE 3.37Å; A437-R441 PolarHBondContact O-NH2 3.49Å; A437-R441 VanDerWaalsContact O-NH2 3.1Å
438R87.8Confident80.9Confident131 Ų13190.1 Ų90.149%0.49451%0.511SS..Hα-helixtrans-88.6-46.1166.2-78.8-173.9-69.3-92.82.9110.9A434 Q435 L436 Q440 R441 V442A434-R438 WeakPolarHBondContact O-CG 3.28Å; A434-R438 PolarHBondContact O-N 3Å; Q435-R438 WeakPolarHBondContact O-CA 3.2Å; Q435-R438 WeakPolarHBondContact O-CB 3.43Å; Q435-R438 PolarHBondContact O-N 3.1Å; L436-R438 PolarHBondContact O-N 3.06Å; R438-Q440 VanDerWaalsContact C-N 3.32Å; R438-Q440 PolarHBondContact O-N 3.01Å; R438-R441 PolarHBondContact O-N 2.75Å; R438-V442 PolarHBondContact O-N 3.34Å
439A87.3Confident79.7Confident57 Ų5791.5 Ų91.547%0.47152%0.516SS..Hα-helixtrans-56.4-44.5176.800000112.2Q435 L436 R441 V442 A443Q435-A439 PolarHBondContact O-N 3.13Å; L436-A439 PolarHBondContact O-N 3.13Å; L436-A439 VanDerWaalsContact O-N 3.17Å; A439-R441 VanDerWaalsContact C-N 3.3Å; A439-R441 PolarHBondContact O-N 3.28Å; A439-V442 PolarHBondContact O-N 3.05Å; A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 2.87Å
440Q91.8Very high78Confident120 Ų12090 Ų9056%0.56153%0.529SS*.Hα-helixtrans-60-36175.5-72.8172.9-36.500113.1L436 R438 A444L436-Q440 HydrophobicContact CD1-CG 4.48Å; L436-Q440 WeakPolarHBondContact O-CG 3.31Å; L436-Q440 PolarHBondContact O-N 3.35Å; R438-Q440 VanDerWaalsContact C-N 3.32Å; R438-Q440 PolarHBondContact O-N 3.01Å; Q440-A444 WeakPolarHBondContact O-CB 3.38Å; Q440-A444 PolarHBondContact O-N 3.13Å
441R80.7Confident76.3Confident174 Ų17490.2 Ų90.266%0.65754%0.538SS*.Hα-helixtrans-73.4-35.3176.4-85.4179.9-77.8174.3-9.9112.9A437 R438 A439 A445A437-R441 PolarHBondContact O-NE 3.37Å; A437-R441 PolarHBondContact O-NH2 3.49Å; A437-R441 VanDerWaalsContact O-NH2 3.1Å; R438-R441 PolarHBondContact O-N 2.75Å; A439-R441 VanDerWaalsContact C-N 3.3Å; A439-R441 PolarHBondContact O-N 3.28Å; R441-A445 WeakPolarHBondContact O-CB 3.3Å; R441-A445 PolarHBondContact O-N 3.42Å; R441-A445 VanDerWaalsContact O-N 3.07Å
442V79.9Confident74.1Confident105 Ų10592.9 Ų92.964%0.63655%0.55SS*.Hα-helixtrans-66.7-44.3172.81760000110.5R438 A439 A445 A446R438-V442 PolarHBondContact O-N 3.34Å; A439-V442 PolarHBondContact O-N 3.05Å; V442-A445 PolarHBondContact O-N 3.34Å; V442-A446 PolarHBondContact O-N 3.14Å
443A72.6Confident71.8Confident55 Ų5594 Ų9446%0.45557%0.567SS.*Hα-helixtrans-61.1-45.717600000112.3A439 A445 A446 V447A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 2.87Å; A443-A445 VanDerWaalsContact C-N 3.35Å; A443-A445 PolarHBondContact O-N 3.15Å; A443-A446 PolarHBondContact O-N 3.29Å; A443-V447 WeakPolarHBondContact O-CG2 3.49Å; A443-V447 PolarHBondContact O-N 3.44Å
444A67.8Low69.5Low56 Ų5693.4 Ų93.446%0.46358%0.584SS.*Hα-helixtrans-60.8-41.7175.900000112.5Q440 A446 V447 S448Q440-A444 WeakPolarHBondContact O-CB 3.38Å; Q440-A444 PolarHBondContact O-N 3.13Å; A444-A446 VanDerWaalsContact C-N 3.35Å; A444-A446 PolarHBondContact O-N 2.92Å; A444-V447 PolarHBondContact O-N 2.99Å; A444-S448 PolarHBondContact O-N 3.48Å; A444-S448 PolarHBondContact O-OG 2.81Å
445A69Low67Low66 Ų6698 Ų9855%0.54561%0.608SS.*Hα-helixtrans-63.6-38.1176.300000112.6R441 V442 A443 S449R441-A445 WeakPolarHBondContact O-CB 3.3Å; R441-A445 PolarHBondContact O-N 3.42Å; R441-A445 VanDerWaalsContact O-N 3.07Å; V442-A445 PolarHBondContact O-N 3.34Å; A443-A445 VanDerWaalsContact C-N 3.35Å; A443-A445 PolarHBondContact O-N 3.15Å; A445-S449 PolarHBondContact O-N 3.27Å
446A65.1Low64.9Low57 Ų5799.1 Ų99.147%0.47162%0.624SS.*Hα-helixtrans-64.8-46.3174.700000111.9V442 A443 A444 S448 S449V442-A446 PolarHBondContact O-N 3.14Å; A443-A446 PolarHBondContact O-N 3.29Å; A444-A446 VanDerWaalsContact C-N 3.35Å; A444-A446 PolarHBondContact O-N 2.92Å; A446-S448 PolarHBondContact O-N 2.74Å; A446-S449 WeakPolarHBondContact O-CB 3.34Å; A446-S449 PolarHBondContact O-N 2.93Å; A446-S449 PolarHBondContact O-OG 2.82Å
447V63Low62.2Low106 Ų10697.4 Ų97.464%0.64263%0.632SS**Hα-helixtrans-62.3-41.2178.7175.70000111.5A443 A444 S449 A450A443-V447 WeakPolarHBondContact O-CG2 3.49Å; A443-V447 PolarHBondContact O-N 3.44Å; A444-V447 PolarHBondContact O-N 2.99Å; V447-S449 PolarHBondContact O-N 3.41Å; V447-S449 VanDerWaalsContact O-N 3.14Å; V447-A450 PolarHBondContact O-N 2.86Å; V447-A450 VanDerWaalsContact O-N 3.16Å
448S54.2Low60.3Low95 Ų95102 Ų10266%0.66466%0.659SS**THydrogen-bonded Turntrans-66.7-9.2174.4-63.70000115A444 A446A444-S448 PolarHBondContact O-N 3.48Å; A444-S448 PolarHBondContact O-OG 2.81Å; A446-S448 PolarHBondContact O-N 2.74Å
449S53.2Low57.9Low96 Ų9699.1 Ų99.167%0.67167%0.669SS**THydrogen-bonded Turntrans-90.6-16.7173.774.70000113.8A445 A446 V447A445-S449 PolarHBondContact O-N 3.27Å; A446-S449 WeakPolarHBondContact O-CB 3.34Å; A446-S449 PolarHBondContact O-N 2.93Å; A446-S449 PolarHBondContact O-OG 2.82Å; V447-S449 PolarHBondContact O-N 3.41Å; V447-S449 VanDerWaalsContact O-N 3.14Å
450A51.3Low56.1Low87 Ų87103.1 Ų103.172%0.71969%0.691SS**SBendtrans-84.7-11.4-178.600000114.1V447V447-A450 PolarHBondContact O-N 2.86Å; V447-A450 VanDerWaalsContact O-N 3.16Å
451S51.8Low53.2Low94 Ų94101.4 Ų101.466%0.65771%0.705SS**  trans-106.661.8-172.3670000113.8
452K43.7Very low50.8Low200 Ų20097.1 Ų97.187%0.8772%0.715SS**  trans-131.5105.7157.5-80.6-164.9173.2-1720109.4
453G38.3Very low48.6Very low76 Ų7695.6 Ų95.678%0.78472%0.721SS**  trans-68.6150.6177.600000112.3
454A40.3Very low46.7Very low108 Ų10899.2 Ų99.289%0.89374%0.743SS**  trans-73.6148170.400000111
455V37.9Very low44.9Very low134 Ų134100.4 Ų100.481%0.81276%0.76SS**  trans-121.4132.6168.9177.10000106.7
456P50.8Low43.3Very low128 Ų128100.5 Ų100.583%0.83177%0.768SS**  trans-76.9141.3-170.830.1-35.1000112.8
457G34.7Very low41.8Very low67 Ų67105 Ų10569%0.69178%0.784SS**  trans-114.8152165.200000110.6
458P45.6Very low40.4Very low130 Ų130107.4 Ų107.484%0.84479%0.788SS**  trans-82.9158.4-170.634.1-36.5000113.7
459G36.2Very low39.4Very low70 Ų70107.7 Ų107.772%0.72279%0.786SS**  trans-71.6-175.6158.700000112
460P50.5Low38.5Very low142 Ų142111.3 Ų111.392%0.92279%0.792SS**  cis-133.5-17431.542.1-26.2000114.7
461G30.4Very low38.5Very low83 Ų83111.7 Ų111.786%0.85679%0.787SS**  trans152122.5167.800000111.8
462G30.9Very low37.7Very low85 Ų85112.2 Ų112.288%0.87679%0.791SS**  trans-149.6178177.700000111.8
463G32.4Very low38.1Very low73 Ų73108.7 Ų108.775%0.75379%0.789SS**  trans148.2112.2171.800000114.5
464S33.2Very low37.8Very low130 Ų130110.3 Ų110.391%0.90979%0.788SS**  trans60.3146.5162.6-530000118.7
465G31.4Very low38.2Very low81 Ų81110.8 Ų110.884%0.83578%0.782SS**  cis117.6118-2.200000112.6
466G33.8Very low37.8Very low69 Ų69109 Ų10971%0.71178%0.776SS**  trans154.563.4177.200000118.3
467D33.7Very low36.9Very low150 Ų150111.2 Ų111.280%0.80278%0.78SS**  66.4144.4128.4-77.7-50.4000128.3
468H34.4Very low36.8Very low158 Ų158113.1 Ų113.173%0.73178%0.782SS**  trans84.372.4142.1-87.9-79.4000125.7
469T32.3Very low36.9Very low101 Ų101112.5 Ų112.562%0.6278%0.778SS**  60.9116101.3-57.60000124.5
470Q35.3Very low36.5Very low171 Ų171115 Ų11580%0.79978%0.78SS**  174161.5122.7-91.3-56.4-86.200113.4
471P49.9Very low35.7Very low95 Ų95112.8 Ų112.862%0.61777%0.767SS**  trans-146.8-158-146.446-24.9000117.5
472S35.3Very low36.5Very low105 Ų105114.1 Ų114.173%0.73476%0.761SS**  trans112.7153.5153.8-51.10000117.4
473P53.7Low36.5Very low126 Ų126119.2 Ų119.282%0.81876%0.762SS**  cis-133.8-174.2-30.235.8-16000115
474S30.5Very low36.3Very low110 Ų110120.9 Ų120.977%0.76977%0.768SS**  trans-79.6172.3-177.2-37.50000115.3
475P49.4Very low36Very low119 Ų119120.2 Ų120.277%0.77376%0.762SS**  -131.7153.467.815.19.2000113.6
476S29.6Very low35.9Very low97 Ų97121.6 Ų121.668%0.67876%0.755SS**  cis88.1109.842.385.80000116.3
477L31.3Very low35.6Very low174 Ų174129.5 Ų129.591%0.91176%0.763SS**  164.3148.2125.6-88.1170.2000114.2
478S32.7Very low35.7Very low106 Ų106129.8 Ų129.874%0.74176%0.764SS**  trans-157.4166.7172.261.60000111.9
479P48.4Very low36.5Very low117 Ų117127.7 Ų127.776%0.7677%0.765SS**  trans-133.9-168.1135.238-23.5000109.6
480T27.8Very low36.3Very low123 Ų123127.1 Ų127.176%0.75577%0.77SS**  cis-150.41334.1-26.60000104.6
481S32.9Very low36.1Very low95 Ų95125.8 Ų125.866%0.66477%0.773SS**  59.7138.362.4-158.10000115.5
482P47.3Very low35.2Very low111 Ų111126.9 Ų126.972%0.72178%0.784SS**  cis-107.3146.9-9.913.99.2000112.5
483Q32Very low35.1Very low193 Ų193127 Ų12790%0.90279%0.785SS**  62.211673-72.6-157.83.700117.9
484A27.1Very low34.2Very low107 Ų107126 Ų12688%0.88478%0.78SS**  trans-153.7140.6138.800000110.1
485C27.2Very low34.2Very low116 Ų116127.9 Ų127.978%0.78478%0.782SS**  trans-103161.7171.9-1520000107.4
486T29.7Very low33.3Very low111 Ų111131.5 Ų131.568%0.68179%0.788SS**  cis-178.2167.447.7-34.40000110.3
487R26.6Very low33.7Very low234 Ų234132 Ų13288%0.88379%0.792SS**  trans72.1140.1151.8-93.6171.2-167.5-108.32.4121.5
488L36.6Very low33.7Very low156 Ų156129.8 Ų129.882%0.81779%0.791SS**  trans-102.4179.6150.7-51.9170.8000107.7
489P51.4Low33.5Very low115 Ų115128 Ų12875%0.74779%0.789SS**  cis-132.4168.1-9.239.9-24.4000115.5
490A28.5Very low32.7Very low88 Ų88130.9 Ų130.973%0.72780%0.797SS**  trans67169.3147.200000121.9
491T30.1Very low32.8Very low143 Ų143130.3 Ų130.388%0.87780%0.798SS**  trans86.5114.5163.875.70000122
492S30.5Very low34.1Very low119 Ų119131.4 Ų131.483%0.83280%0.803SS**  trans-161.2136.7147.258.50000106.6
493S34.4Very low34.4Very low108 Ų108131 Ų13176%0.75580%0.801SS**  cis-166.1148.23.151.90000111.9
494S35.3Very low34.3Very low104 Ų104129.1 Ų129.173%0.72780%0.796SS**  trans67.1137.3141.3-158.90000120.5
495N29.6Very low34.5Very low149 Ų149129 Ų12980%0.79779%0.789SS**  cis-165.6165-27.5-104.1-12.2000108.5
496Q31.4Very low35.4Very low195 Ų195128 Ų12891%0.91178%0.783SS**  trans-123.5148.5162.2-73.5-170.739.200110.9
497S35.9Very low35.5Very low107 Ų107134 Ų13475%0.74879%0.793SS**  trans-163.5137.7158.657.30000112.1
498S32Very low36.5Very low128 Ų128128.4 Ų128.490%0.89579%0.787SS**  trans73.9130.9165.4-46.70000116.9
499G28.6Very low36.3Very low68 Ų68124.9 Ų124.970%0.70178%0.78SS**  cis153.1154.69.100000111
500L31.7Very low35.2Very low179 Ų179127 Ų12794%0.93779%0.785SS**  trans83.8168.2164.7-49.6-178000119.9
501S29.9Very low35.4Very low110 Ų110129.1 Ų129.177%0.76979%0.785SS**  trans-131.4-163.6-151-420000111.9
502P61.3Low35.5Very low119 Ų119131 Ų13177%0.77378%0.776SS**  -112.6-149.9-69.838.9-20.7000109.3
503P53.6Low35.6Very low102 Ų102132.4 Ų132.466%0.66277%0.769SS**  cis-141.6-175.3-6.743.9-24.7000117.8
504L29.2Very low35.5Very low154 Ų154132.5 Ų132.581%0.80677%0.77SS**  trans72.2141.5162.2-54.3179.3000118.9
505S30.4Very low35.4Very low105 Ų105132.4 Ų132.473%0.73476%0.761SS**  cis90.5147.822.2-68.40000116.2
506S45.8Very low35.6Very low95 Ų95131 Ų13166%0.66475%0.749SS**  cis-176.1173.3-19.659.20000110.8
507R33.5Very low35.4Very low235 Ų235129.4 Ų129.489%0.88774%0.74SS**  trans75.9166.4177.9-52.1178.6160.9-163.9-4.1115.6
508P47.7Very low34.9Very low118 Ų118130.1 Ų130.177%0.76674%0.74SS**  -138173.2-62.542.1-26.8000114.4
509A30.8Very low34.6Very low81 Ų81128.5 Ų128.567%0.66973%0.729SS**  trans52.8142.3140.200000124.5
510D29.8Very low34.5Very low159 Ų159129.7 Ų129.785%0.8572%0.722SS**  trans71.9136.2140.8-67.8-37.8000125.5
511D31Very low34.1Very low133 Ų133126.9 Ų126.971%0.71171%0.712SS**  trans108.4145.5131.8-136.810.7000123.1
512R32.3Very low34.1Very low184 Ų184128.1 Ų128.169%0.69471%0.705SS**  trans57.2106.8162.8-45.6-148.292104.51.3122.2
513Q32.7Very low32.2Very low147 Ų147129.9 Ų129.969%0.68770%0.704SS**  -2.9134124.5-51.9165.5-73.300117.8
514S34Very low30.8Very low110 Ų110130.4 Ų130.477%0.76971%0.71SS**  175.1139.3121-175.30000111.3
515N32.3Very low30.6Very low103 Ų103127.5 Ų127.555%0.55170%0.702SS**  cis-172.3158.7-24.9-95.4-16.7000106.8
516H33.7Very low30.3Very low118 Ų118129.8 Ų129.855%0.54671%0.706SS.*  cis-160.9157-0-118.4-27.9000110.9
517F27.6Very low29.4Very low163 Ų163129.7 Ų129.772%0.71571%0.711SS**  trans50132.1153.1-58-51.1000119.8
518T25.7Very low28.9Very low121 Ų121123.7 Ų123.774%0.74271%0.705SS**  cis-157.5-177.611.40.10000108.1
519S26Very low28Very low95 Ų95123.2 Ų123.266%0.66470%0.7SS**  cis-157.3156.512-1370000114
520T26.4Very low27.7Very low93 Ų93126.1 Ų126.157%0.57170%0.7SS**  2.9123.7125.7-42.60000115.9
521V23.3Very low27.9Very low119 Ų119125.9 Ų125.972%0.72169%0.693SS**  73.3156.159.1-177.10000113.5
522H28.7Very low27.7Very low136 Ų136124 Ų12463%0.6369%0.69SS**  trans87.3126.7-177.9-52.6-67.1000115.2
523Q22.6Very low27.3Very low157 Ų157119.9 Ų119.973%0.73469%0.69SS**  cis79.4148.241-66.9178.3-32.400114.1
524S23.5Very low27Very low113 Ų113119.2 Ų119.279%0.7970%0.695SS**  trans73.9140.1164.4-63.10000116.9
525S25Very low26.6Very low93 Ų93121.7 Ų121.765%0.6570%0.695SS**  cis-163.8158-13.144.60000111.9
526N24.4Very low26.2Very low153 Ų153122.6 Ų122.682%0.81870%0.704SS**  trans55146.7143.2-65.70.7000122.4
527A26.2Very low25.8Very low92 Ų92125.6 Ų125.676%0.7672%0.719SS**  trans68.3113.1149.400000117
528S23.6Very low25.8Very low110 Ų110127 Ų12777%0.76972%0.724SS**  87.1172.754.1-168.40000111.8
529V28.3Very low25.8Very low108 Ų108128.5 Ų128.566%0.65573%0.728SS**  trans56.798.9175.2-78.30000117.8
530E25.8Very low26Very low142 Ų142132.5 Ų132.566%0.66473%0.733SS**  80.1164.6119.1-74.9-169.9106.800120.7
531H33Very low25.9Very low153 Ų153137.4 Ų137.471%0.70875%0.75SS**  cis-111.5144.7-4.5-74.8-71.7000110.2
532S26.2Very low26.1Very low93 Ų93135.5 Ų135.565%0.6575%0.746SS**  52.7111.485.5-128.80000112.9
533S24.7Very low26.8Very low98 Ų98134.1 Ų134.169%0.68575%0.749SS**  65.8102.460.2178.80000114.1
534V26.9Very low27Very low134 Ų134133.4 Ų133.481%0.81276%0.756SS**  trans-133.592.4155.5-176.20000109.5
535Q25.4Very low27.2Very low162 Ų162133.2 Ų133.276%0.75775%0.754SS**  47.9129.6126-66.5173.2-1000121.4
536T24Very low27.4Very low121 Ų121133.5 Ų133.574%0.74276%0.763SS**  trans4.8141.9137.254.90000119.9
537E25Very low27.5Very low182 Ų182130.5 Ų130.585%0.8576%0.759SS**  -143.6163.4121.2-99.3-7672.600108.4
538K27.5Very low27.5Very low191 Ų191131.9 Ų131.983%0.8376%0.763SS**  trans-148.4108.7-172.5165.1-132.3175.7-177.70109.8
539D25.5Very low27.9Very low153 Ų153134.1 Ų134.182%0.81877%0.766SS**  trans-142.6165.2174.6-133.4-25.8000116.3
540K30Very low28Very low180 Ų180135.2 Ų135.278%0.78377%0.773SS**  trans-109.2141.3175.2-53.8165177.5172.80108.5
541E25.5Very low28.3Very low196 Ų196139 Ų13992%0.91678%0.781SS**  -169.3166.5122.9-113.8179.9101.700113.1
542A27.4Very low28Very low78 Ų78138.9 Ų138.965%0.64579%0.791SS**  trans-134.6170.516100000105.3
543P42.8Very low28.3Very low108 Ų108139.2 Ų139.270%0.70179%0.793SS**  cis-137.2-168.312.141.5-22.3000113.3
544T26.1Very low28.6Very low142 Ų142140.1 Ų140.187%0.87180%0.8SS**  trans162.2177.9132.741.90000110
545S27.8Very low29.1Very low108 Ų108139.1 Ų139.176%0.75580%0.797SS**  trans-141.6153.1-14257.10000116.2
546A28.6Very low29.8Very low100 Ų100138.1 Ų138.183%0.82680%0.796SS**  trans70.2146.3159.900000117.3
547A28.1Very low30.8Very low89 Ų89137.2 Ų137.274%0.73679%0.792SS**  cis-162.6152.5-18.100000110.9
548S26Very low31.8Very low122 Ų122134 Ų13485%0.85380%0.797SS**  trans-166.4156.5149.8-90.40000112
549L32.2Very low33Very low157 Ų157131 Ų13182%0.82279%0.79SS**  trans-84.9150.8-172.1-67.271.6000112
550T29.1Very low35Very low131 Ų131126.6 Ų126.680%0.80477%0.766SS**  171.9167.2107.237.80000112.1
551R33.2Very low36.6Very low221 Ų221121.9 Ų121.983%0.83475%0.754SS**  trans72.688168-50.8-17671.1-163.41.2116.8S553R551-S553 PolarHBondContact O-N 3.47Å
552T26.6Very low38.1Very low150 Ų150115 Ų11592%0.9272%0.723SS**  trans-71.384.1160480000111.5
553S31.3Very low40Very low100 Ų100114.9 Ų114.970%0.69971%0.714SS**  trans-9199.6159.454.80000109R551 C555R551-S553 PolarHBondContact O-N 3.47Å; S553-C555 PolarHBondContact O-N 2.91Å
554S31.5Very low41.2Very low118 Ų118112.5 Ų112.583%0.82570%0.698SS**  trans-70.597.1179.555.90000110.9
555C38.1Very low43.1Very low112 Ų112109.6 Ų109.676%0.75767%0.674SS**PPolyproline II helixtrans-71.2140.7167.660.60000110S553S553-C555 PolarHBondContact O-N 2.91Å
556I39.3Very low44.9Very low142 Ų142108.9 Ų108.973%0.72866%0.662SS**PPolyproline II helixtrans-85.9123.9172.2-59.4175.1000107A558I556-A558 PolarHBondContact O-N 3.44Å
557P45.6Very low46.7Very low101 Ų101111.1 Ų111.166%0.65666%0.659SS**PPolyproline II helixtrans-59.8137.9177.8-24.634.6000111.6N559P557-N559 PolarHBondContact O-N 2.86Å
558A45.8Very low48Very low115 Ų115112.1 Ų112.195%0.9565%0.648SS**SBendtrans-70.218.4-175.900000115.1I556I556-A558 PolarHBondContact O-N 3.44Å
559N52.4Low49.1Very low128 Ų128109.6 Ų109.668%0.68464%0.642SS**  trans-142.857.3179.1-165.58.9000110.9P557P557-N559 PolarHBondContact O-N 2.86Å
560N67.7Low50.5Low60 Ų60107.8 Ų107.832%0.32163%0.627SS.*  trans-79.6117.4170.3-179.5-17.7000109.3L562 V563 T564N560-L562 VanDerWaalsContact C-N 3.25Å; N560-L562 PolarHBondContact O-N 2.86Å; N560-L562 WeakPolarHBondContact OD1-CB 3.42Å; N560-L562 PolarHBondContact OD1-N 3.18Å; N560-V563 HydrophobicContact CB-CB 4.4Å; N560-V563 HydrophobicContact CB-CG2 3.95Å; N560-V563 PolarHBondContact O-N 2.87Å; N560-V563 VanDerWaalsContact O-N 3.09Å; N560-T564 PolarHBondContact O-N 3.49Å
561P62.9Low51.7Low82 Ų82111 Ų11153%0.53263%0.633SS.*Hα-helixtrans-65.4-24.3-174.826.3-35000113.9T564 Q565P561-T564 WeakPolarHBondContact CA-OG1 3.45Å; P561-T564 PolarHBondContact O-N 2.99Å; P561-T564 PolarHBondContact O-OG1 2.77Å; P561-T564 VanDerWaalsContact O-OG1 3.12Å; P561-Q565 WeakPolarHBondContact O-CB 3.4Å; P561-Q565 WeakPolarHBondContact O-CG 3.48Å; P561-Q565 PolarHBondContact O-N 3.29Å
562L57.5Low52.7Low51 Ų51101.3 Ų101.327%0.26760%0.598SS.*Hα-helixtrans-67.4-38.7174.5-68.1162.4000111.1N560 Q565 L566 V572N560-L562 VanDerWaalsContact C-N 3.25Å; N560-L562 PolarHBondContact O-N 2.86Å; N560-L562 WeakPolarHBondContact OD1-CB 3.42Å; N560-L562 PolarHBondContact OD1-N 3.18Å; L562-Q565 PolarHBondContact O-N 3.44Å; L562-L566 WeakPolarHBondContact O-CB 3.48Å; L562-L566 VanDerWaalsContact O-CG 3.29Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 3.29Å; L562-V572 HydrophobicContact CD2-CG1 3.93Å
563V68.5Low54.3Low76 Ų7698.1 Ų98.146%0.46158%0.58SS.*Hα-helixtrans-68.2-39.1178.2-179.50000110.5N560 L567N560-V563 HydrophobicContact CB-CB 4.4Å; N560-V563 HydrophobicContact CB-CG2 3.95Å; N560-V563 PolarHBondContact O-N 2.87Å; N560-V563 VanDerWaalsContact O-N 3.09Å; V563-L567 HydrophobicContact CG1-CD1 4Å; V563-L567 WeakPolarHBondContact O-CB 3.29Å; V563-L567 VanDerWaalsContact O-CG 3.26Å; V563-L567 WeakPolarHBondContact O-CG 3.2Å; V563-L567 PolarHBondContact O-N 2.84Å
564T67.4Low55.1Low57 Ų5799.6 Ų99.635%0.3558%0.579SS.*Hα-helixtrans-74.3-30.2176.758.30000113N560 P561 Q568N560-T564 PolarHBondContact O-N 3.49Å; P561-T564 WeakPolarHBondContact CA-OG1 3.45Å; P561-T564 PolarHBondContact O-N 2.99Å; P561-T564 PolarHBondContact O-OG1 2.77Å; P561-T564 VanDerWaalsContact O-OG1 3.12Å; T564-Q568 WeakPolarHBondContact O-CB 3.23Å; T564-Q568 WeakPolarHBondContact O-CG 3.42Å; T564-Q568 PolarHBondContact O-N 2.73Å; T564-Q568 VanDerWaalsContact O-N 3.11Å; T564-Q568 PolarHBondContact O-NE2 2.9Å
565Q65.8Low56.3Low81 Ų81100.3 Ų100.338%0.37957%0.574SS.*Hα-helixtrans-67.4-44.5170.3-77.8179.2-1300112.5P561 L562 Q568 G569 K570 V572P561-Q565 WeakPolarHBondContact O-CB 3.4Å; P561-Q565 WeakPolarHBondContact O-CG 3.48Å; P561-Q565 PolarHBondContact O-N 3.29Å; L562-Q565 PolarHBondContact O-N 3.44Å; Q565-Q568 WeakPolarHBondContact O-CB 3.42Å; Q565-Q568 PolarHBondContact O-N 3.16Å; Q565-Q568 VanDerWaalsContact O-N 3.11Å; Q565-G569 PolarHBondContact O-N 3Å; Q565-K570 PolarHBondContact O-N 3.17Å; Q565-V572 HydrophobicContact CB-CG2 3.97Å
566L64.6Low57.3Low94 Ų94101 Ų10149%0.49257%0.566SS.*Hα-helixtrans-63-42.4175.9-72.9166.4000111.8L562 Q568 G569 V572L562-L566 WeakPolarHBondContact O-CB 3.48Å; L562-L566 VanDerWaalsContact O-CG 3.29Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 3.29Å; L566-Q568 PolarHBondContact O-N 3.19Å; L566-G569 PolarHBondContact O-N 2.68Å; L566-V572 HydrophobicContact CD2-CG2 4.42Å; L566-V572 HydrophobicContact CG-CG2 4.45Å
567L66.7Low58Low146 Ų14698.2 Ų98.276%0.76455%0.552SS**Hα-helixtrans-67.9-18.3174.2-71.7171.2000113.7V563 G569V563-L567 HydrophobicContact CG1-CD1 4Å; V563-L567 WeakPolarHBondContact O-CB 3.29Å; V563-L567 VanDerWaalsContact O-CG 3.26Å; V563-L567 WeakPolarHBondContact O-CG 3.2Å; V563-L567 PolarHBondContact O-N 2.84Å; L567-G569 VanDerWaalsContact C-N 3.3Å
568Q56.5Low57.8Low111 Ų11199 Ų9952%0.51955%0.55SS.*THydrogen-bonded Turntrans-86.13.9170.9-74.7170.132.700113.3T564 Q565 L566 K570T564-Q568 WeakPolarHBondContact O-CB 3.23Å; T564-Q568 WeakPolarHBondContact O-CG 3.42Å; T564-Q568 PolarHBondContact O-N 2.73Å; T564-Q568 VanDerWaalsContact O-N 3.11Å; T564-Q568 PolarHBondContact O-NE2 2.9Å; Q565-Q568 WeakPolarHBondContact O-CB 3.42Å; Q565-Q568 PolarHBondContact O-N 3.16Å; Q565-Q568 VanDerWaalsContact O-N 3.11Å; L566-Q568 PolarHBondContact O-N 3.19Å; Q568-K570 VanDerWaalsContact C-N 3.27Å; Q568-K570 HydrophobicContact CB-CD 4.21Å; Q568-K570 HydrophobicContact CB-CG 4.5Å; Q568-K570 PolarHBondContact O-N 3.38Å
569G48.5Very low57.8Low69 Ų6999.4 Ų99.471%0.71154%0.543SS*.THydrogen-bonded Turntrans69.321.9177.400000114.4Q565 L566 L567Q565-G569 PolarHBondContact O-N 3Å; L566-G569 PolarHBondContact O-N 2.68Å; L567-G569 VanDerWaalsContact C-N 3.3Å
570K62.2Low57.3Low119 Ų119101.7 Ų101.752%0.51755%0.547SS..  trans-92.8125.1176.6-67.2164.3-177.1169.60108.6Q565 Q568 V572Q565-K570 PolarHBondContact O-N 3.17Å; Q568-K570 VanDerWaalsContact C-N 3.27Å; Q568-K570 HydrophobicContact CB-CD 4.21Å; Q568-K570 HydrophobicContact CB-CG 4.5Å; Q568-K570 PolarHBondContact O-N 3.38Å; K570-V572 PolarHBondContact O-N 3.38Å; K570-V572 VanDerWaalsContact O-N 3.1Å
571E53.6Low55.6Low198 Ų198104.8 Ų104.893%0.92557%0.57SS**  trans-66.8110.1176.6-67.5-167.8158.600110.2
572V55.1Low54.1Low18 Ų18109.3 Ų109.311%0.10959%0.589CS.*  trans-87.3120.7170179.10000107.5L562 Q565 L566 K570 L574 Q576 I577L562-V572 HydrophobicContact CD2-CG1 3.93Å; Q565-V572 HydrophobicContact CB-CG2 3.97Å; L566-V572 HydrophobicContact CD2-CG2 4.42Å; L566-V572 HydrophobicContact CG-CG2 4.45Å; K570-V572 PolarHBondContact O-N 3.38Å; K570-V572 VanDerWaalsContact O-N 3.1Å; V572-L574 PolarHBondContact O-N 3.12Å; V572-Q576 HydrophobicContact CG1-CB 4.04Å; V572-I577 HydrophobicContact CB-CD1 4.48Å; V572-I577 HydrophobicContact CG1-CD1 4.37Å; V572-I577 HydrophobicContact CG1-CG1 4.31Å
573P59.4Low53.1Low82 Ų82111.7 Ų111.753%0.53261%0.61SS.*  trans-57.7137.9177.5-26.435.6000112.1D575 Q576P573-D575 PolarHBondContact O-N 3.42Å; P573-Q576 PolarHBondContact O-N 3.44Å
574L47.8Very low51.5Low131 Ų131113.2 Ų113.269%0.68662%0.624SS**G310 helixtrans-53.7-29.1-173.4-79.6154.9000114.1V572 Q576 I577 L578V572-L574 PolarHBondContact O-N 3.12Å; L574-Q576 PolarHBondContact O-N 2.96Å; L574-Q576 VanDerWaalsContact O-N 3.09Å; L574-I577 PolarHBondContact O-N 2.92Å; L574-L578 PolarHBondContact O-N 3.22Å
575D57.8Low49.9Very low133 Ų133116.7 Ų116.771%0.71165%0.645SS**G310 helixtrans-59.5-15.7176.3-64.6-18.4000114.8P573P573-D575 PolarHBondContact O-N 3.42Å
576Q58.3Low48.1Very low126 Ų126119.2 Ų119.259%0.58966%0.661SS**G310 helixtrans-95.6-8.4174.2-66.5-166.852.100114.1V572 P573 L574V572-Q576 HydrophobicContact CG1-CB 4.04Å; P573-Q576 PolarHBondContact O-N 3.44Å; L574-Q576 PolarHBondContact O-N 2.96Å; L574-Q576 VanDerWaalsContact O-N 3.09Å
577I54Low46.6Very low85 Ų85121.4 Ų121.444%0.43667%0.672SS.*THydrogen-bonded Turntrans-103.4-23-175.1-56.6177.5000111.1V572 L574V572-I577 HydrophobicContact CB-CD1 4.48Å; V572-I577 HydrophobicContact CG1-CD1 4.37Å; V572-I577 HydrophobicContact CG1-CG1 4.31Å; L574-I577 PolarHBondContact O-N 2.92Å
578L41.3Very low44.7Very low118 Ų118124.7 Ų124.762%0.61867%0.674SS**SBendtrans-85133.2176-63.6174.6000111.8L574 K580L574-L578 PolarHBondContact O-N 3.22Å; L578-K580 PolarHBondContact O-N 3.49Å
579P45.3Very low43.5Very low123 Ų123125.2 Ų125.280%0.79969%0.685SS**PPolyproline II helixtrans-60.4128.2167.7-21.233000110.6
580K41.8Very low42.5Very low176 Ų176127.8 Ų127.877%0.76569%0.692SS**PPolyproline II helixtrans-66.6134.5175.4-67.2174.2-178.3173.50109.5L578 L582L578-K580 PolarHBondContact O-N 3.49Å; K580-L582 PolarHBondContact O-N 2.65Å
581P33.6Very low40.9Very low125 Ų125125.5 Ų125.581%0.81270%0.702SS**PPolyproline II helixtrans-64.1127.2177.326.7-33.6000109.8S583P581-S583 PolarHBondContact O-N 2.99Å
582L31.1Very low39.7Very low176 Ų176125.5 Ų125.592%0.92170%0.702SS**  trans-78.1107175.2-66.2176.5000109.3K580K580-L582 PolarHBondContact O-N 2.65Å
583S35.4Very low38.4Very low102 Ų102129.6 Ų129.671%0.71374%0.737SS**  trans-75.9162167.555.30000111.6P581P581-S583 PolarHBondContact O-N 2.99Å
584S36.5Very low36.9Very low108 Ų108131.9 Ų131.976%0.75576%0.755SS**  trans57.390.7171.755.30000116.7D586S584-D586 PolarHBondContact O-N 3.1Å
585T32.1Very low36Very low129 Ų129128.6 Ų128.679%0.79175%0.754SS**  trans-7798.5157.3-41.40000109.2I587T585-I587 HydrophobicContact CG2-CD1 4.22Å; T585-I587 HydrophobicContact CG2-CG1 3.85Å; T585-I587 PolarHBondContact O-N 3.28Å
586D28.8Very low34.8Very low134 Ų134127.5 Ų127.572%0.71776%0.756SS**  trans-88.382.9179.1-157.5-12.8000110.6S584 R588S584-D586 PolarHBondContact O-N 3.1Å; D586-R588 VanDerWaalsContact C-N 3.34Å; D586-R588 PolarHBondContact O-N 2.88Å
587I33Very low33.5Very low140 Ų140131.7 Ų131.772%0.71877%0.772SS**  trans-80.283.6175.5-55.7-175.1000109.3T585 V589T585-I587 HydrophobicContact CG2-CD1 4.22Å; T585-I587 HydrophobicContact CG2-CG1 3.85Å; T585-I587 PolarHBondContact O-N 3.28Å; I587-V589 PolarHBondContact O-N 3.26Å
588R26.9Very low32.4Very low215 Ų215131.3 Ų131.381%0.81179%0.79SS**  trans-81.7101168.5-171.5173.8-65-141-0.1110.6D586D586-R588 VanDerWaalsContact C-N 3.34Å; D586-R588 PolarHBondContact O-N 2.88Å
589V30.6Very low31.8Very low123 Ų123134.9 Ų134.975%0.74580%0.8SS**  trans-61.9145.1166.9177.30000109.8I587I587-V589 PolarHBondContact O-N 3.26Å
590S28.7Very low31Very low123 Ų123134.2 Ų134.286%0.8679%0.794SS**  trans-67.6130.7179.6-171.20000111.9
591G27.2Very low30.3Very low70 Ų70131.6 Ų131.672%0.72279%0.793SS**  trans-156.9131.4173.700000110.4
592Q28.5Very low30.3Very low199 Ų199134.1 Ų134.193%0.9379%0.794SS**  trans-81.4136.4179.8-60.8166.8-65.700110.8
593A28.1Very low30Very low103 Ų103134.7 Ų134.785%0.85179%0.789SS**  trans-176.2150.9134.100000113.9
594S29Very low29.8Very low130 Ų130134.6 Ų134.691%0.90978%0.784SS**  trans-45.9160.6167.9-172.40000116.8
595G28.1Very low29.4Very low63 Ų63135.1 Ų135.165%0.64978%0.778SS**  trans150.181.515100000120.3
596S32.4Very low29.5Very low109 Ų109136.8 Ų136.876%0.76278%0.777SS**  trans25.9126.2140.459.80000124.4
597K31.7Very low29.6Very low214 Ų214140.7 Ų140.793%0.9379%0.787SS**  54.1141.7127.7-68.1-177.4174.4178.70123.3
598G29.6Very low29.4Very low78 Ų78137.7 Ų137.780%0.80479%0.791SS**  trans98.6120.8152.700000114.2
599K30.5Very low29.5Very low193 Ų193134.4 Ų134.484%0.83979%0.79SS**  cis93.480.412.5-154.7179.5179.71790118.3
600T28Very low29.7Very low108 Ų108138 Ų13866%0.66379%0.79SS**  trans81.5161.1133.6-49.90000119.3
601T27.4Very low29.7Very low122 Ų122139.1 Ų139.175%0.74878%0.781SS**  trans81.4121.7-176.463.80000113.8
602H32Very low30Very low178 Ų178141.9 Ų141.982%0.82478%0.783SS**  cis66.4131.338.3-80.9-95.4000115.6
603F26.4Very low30.6Very low188 Ų188137.5 Ų137.583%0.82577%0.773SS**  trans148.9145.2147.3-98.8-121.8000109.9
604V30.2Very low31.2Very low99 Ų99137.8 Ų137.860%0.677%0.766SS**  cis-168.9170.7-15.6870000111.7
605D28.5Very low31.2Very low119 Ų119140.7 Ų140.764%0.63677%0.765SS**  trans59.5158154.5-81.5-138.2000123.6
606H34.6Very low31.2Very low165 Ų165141.5 Ų141.576%0.76477%0.765SS**  cis-172.2170.1-34.9-116.4-2.9000113
607K30.9Very low31Very low215 Ų215143.3 Ų143.394%0.93577%0.766SS**  trans83.6127150.1-149.7172.5-174.1178.50119.6
608G27.9Very low30.9Very low78 Ų78139.2 Ų139.280%0.80476%0.76SS**  trans175.237.7178.800000119.3
609D30.1Very low30.8Very low146 Ų146139.8 Ų139.878%0.78176%0.757SS**  trans55.1130.1163.6-107.8-48.6000126
610R33.5Very low30.8Very low198 Ų198137.7 Ų137.775%0.74776%0.76SS**  trans32.2120.1149.1-79.5172.4177-76.4-2.8126.8
611H28.5Very low30.9Very low147 Ų147143.4 Ų143.468%0.68177%0.769SS**  95.290.5123-95.2-118000124.4
612V33.9Very low30.8Very low127 Ų127142.5 Ų142.577%0.7777%0.774SS**  78.4142.6115.9167.20000120.4
613P42.2Very low30.7Very low108 Ų108138.9 Ų138.970%0.70178%0.775SS**  trans-119.4-165.5-156.240.7-22.9000114.3
614P40Very low30.8Very low109 Ų109139.2 Ų139.271%0.70878%0.779SS**  -151.315698.239.4-22.9000117.8
615Q28.9Very low30.7Very low191 Ų191139.9 Ų139.989%0.89379%0.787SS**  trans58.9151.7147.7-70-177.97.400120.9
616A28.3Very low30.9Very low79 Ų79140.5 Ų140.565%0.65380%0.795SS**  cis-161155.2-18.900000112.2
617N29Very low30.8Very low147 Ų147141.8 Ų141.879%0.78680%0.798SS**  trans46.6100.4151.5-64.1-7000122.8
618T28.3Very low30.9Very low129 Ų129140.7 Ų140.779%0.79180%0.796SS**  66.7114.4109.9-49.20000122
619A28.8Very low31.1Very low90 Ų90144.5 Ų144.574%0.74479%0.793SS**  trans71.9126.4147.200000121.6
620V29.6Very low31.3Very low148 Ų148148.2 Ų148.290%0.89780%0.796SS**  -161.1169.8111.2139.60000109.6
621R29.3Very low31.9Very low229 Ų229146.9 Ų146.986%0.86480%0.798SS**  trans-91.4158-167.5-61.2168.9168.2155.4-7.5114.6
622A25.9Very low33.3Very low103 Ų103146.7 Ų146.785%0.85180%0.802SS**  trans67.8159.7146.900000117.4
623A30.5Very low34.6Very low102 Ų102144.5 Ų144.584%0.84379%0.79SS**  cis-140142.56.700000111.7
624E28.1Very low36.2Very low194 Ų194145.3 Ų145.391%0.90779%0.788SS**  trans-105147.2173.6-166.7163.4-143.700110.8
625C27.6Very low37.9Very low114 Ų114147 Ų14777%0.7778%0.784SS**  trans-97101.1-165.7-177.20000113K627C625-K627 PolarHBondContact O-N 3.48Å
626T32.2Very low40.3Very low132 Ų132145 Ų14581%0.8178%0.775SS**  trans-82.1106.4171-12.90000111.1H628T626-H628 PolarHBondContact O-N 2.96Å
627K33.1Very low42.8Very low191 Ų191144.4 Ų144.483%0.8376%0.763SS**PPolyproline II helixtrans-66.8128.9166.7-65.7171.6-178.2170.60108.9C625 H629C625-K627 PolarHBondContact O-N 3.48Å; K627-H629 PolarHBondContact O-N 2.88Å
628H33.9Very low45.3Very low193 Ų193143.2 Ų143.289%0.89475%0.753SS**PPolyproline II helixtrans-65.9120.9173.8-83-83.7000110.9T626T626-H628 PolarHBondContact O-N 2.96Å
629H31.1Very low47.8Very low158 Ų158141.8 Ų141.873%0.73174%0.738SS**PPolyproline II helixtrans-70.7140170.2-173.7-100000109.9K627K627-H629 PolarHBondContact O-N 2.88Å
630R35.6Very low50.3Low223 Ų223143 Ų14384%0.84273%0.728SS**  trans-102.5101.8174.6-177.6-176.2-173.3177.23.3107.7
631E44.2Very low53Low170 Ų170140.4 Ų140.479%0.79471%0.708SS**PPolyproline II helixtrans-62.4141.6175.2-69.7176.4132.200110.8
632L58.1Low55.7Low144 Ų144134.2 Ų134.275%0.75469%0.692SS**PPolyproline II helixtrans-87.6149.4169-74.196.7000108.8
633P62.7Low58.3Low81 Ų81135.7 Ų135.753%0.52668%0.681SS.*PPolyproline II helixtrans-64.7148.4176.328.9-35.7000111.3T637P633-T637 HydrophobicContact CB-CG2 4.08Å
634D75.9Confident60.9Low125 Ų125134 Ų13467%0.66866%0.66SS**PPolyproline II helixtrans-56.1151.6-177.2-71.5-67.9000113.9E636 T637 Q638D634-E636 PolarHBondContact O-N 3.21Å; D634-T637 WeakPolarHBondContact O-CA 3.46Å; D634-T637 VanDerWaalsContact O-CB 3.3Å; D634-T637 WeakPolarHBondContact O-CB 3.16Å; D634-T637 PolarHBondContact O-N 3.38Å; D634-Q638 PolarHBondContact O-N 2.89Å
635K75.3Confident63.6Low143 Ų143129.1 Ų129.162%0.62264%0.64SS**Hα-helixtrans-54.3-38-177.7-173.1174.9178.3-65.70113Q638 E639K635-Q638 PolarHBondContact O-N 3.26Å; K635-E639 WeakPolarHBondContact CE-OE1 3.32Å; K635-E639 IonicContact NZ-OE1 2.61Å; K635-E639 PolarHBondContact NZ-OE1 2.93Å; K635-E639 IonicContact NZ-OE2 3.79Å; K635-E639 WeakPolarHBondContact O-CB 3.45Å; K635-E639 WeakPolarHBondContact O-CG 3.4Å; K635-E639 PolarHBondContact O-N 3.39Å
636E78.8Confident66.1Low149 Ų149129.8 Ų129.870%0.69663%0.633SS**Hα-helixtrans-62.5-43.7173.4-175.2176.6-175.900111.7D634 Q638 E639 Q640D634-E636 PolarHBondContact O-N 3.21Å; E636-Q638 VanDerWaalsContact C-N 3.34Å; E636-Q638 PolarHBondContact O-N 3.41Å; E636-E639 PolarHBondContact O-N 3.19Å; E636-Q640 WeakPolarHBondContact O-CB 3.36Å; E636-Q640 PolarHBondContact O-N 3.44Å
637T81.8Confident68.2Low67 Ų67130.2 Ų130.241%0.41163%0.626SS.*Hα-helixtrans-63.7-39.8175-61.50000111.4P633 D634 Q640 I641P633-T637 HydrophobicContact CB-CG2 4.08Å; D634-T637 WeakPolarHBondContact O-CA 3.46Å; D634-T637 VanDerWaalsContact O-CB 3.3Å; D634-T637 WeakPolarHBondContact O-CB 3.16Å; D634-T637 PolarHBondContact O-N 3.38Å; T637-Q640 PolarHBondContact O-N 3.17Å; T637-I641 HydrophobicContact CG2-CD1 3.99Å; T637-I641 WeakPolarHBondContact O-CD1 3.42Å; T637-I641 VanDerWaalsContact O-CG1 3.25Å; T637-I641 WeakPolarHBondContact O-CG1 3.49Å; T637-I641 PolarHBondContact O-N 2.76Å
638Q80.9Confident70.2Confident123 Ų123127.9 Ų127.958%0.57561%0.612SS**Hα-helixtrans-65-38.9176.1-174.7173.5-18.400112.2D634 K635 E636 L642D634-Q638 PolarHBondContact O-N 2.89Å; K635-Q638 PolarHBondContact O-N 3.26Å; E636-Q638 VanDerWaalsContact C-N 3.34Å; E636-Q638 PolarHBondContact O-N 3.41Å; Q638-L642 WeakPolarHBondContact O-CB 3.23Å; Q638-L642 PolarHBondContact O-N 2.79Å
639E80.4Confident72.1Confident99 Ų99125.5 Ų125.546%0.46360%0.599SS.*Hα-helixtrans-71.4-39.7176-75.8169.4-167.500112K635 E636 I641 L642 Q643K635-E639 WeakPolarHBondContact CE-OE1 3.32Å; K635-E639 IonicContact NZ-OE1 2.61Å; K635-E639 PolarHBondContact NZ-OE1 2.93Å; K635-E639 IonicContact NZ-OE2 3.79Å; K635-E639 WeakPolarHBondContact O-CB 3.45Å; K635-E639 WeakPolarHBondContact O-CG 3.4Å; K635-E639 PolarHBondContact O-N 3.39Å; E636-E639 PolarHBondContact O-N 3.19Å; E639-I641 VanDerWaalsContact C-N 3.32Å; E639-I641 PolarHBondContact O-N 3.03Å; E639-L642 PolarHBondContact O-N 3.04Å; E639-Q643 WeakPolarHBondContact O-CB 3.43Å; E639-Q643 PolarHBondContact O-N 3.03Å
640Q80.7Confident73.9Confident116 Ų116121.2 Ų121.254%0.54259%0.591SS.*Hα-helixtrans-57.1-44172.3-153.486.1-34.600111.6E636 T637 T644E636-Q640 WeakPolarHBondContact O-CB 3.36Å; E636-Q640 PolarHBondContact O-N 3.44Å; T637-Q640 PolarHBondContact O-N 3.17Å; Q640-T644 WeakPolarHBondContact O-CB 3.21Å; Q640-T644 PolarHBondContact O-N 3.28Å; Q640-T644 PolarHBondContact O-OG1 3.4Å
641I88Confident75.3Confident92 Ų92118 Ų11847%0.47259%0.585SS.*Hα-helixtrans-66.1-45.1176-70.2166.1000110.7T637 E639 T644 L645T637-I641 HydrophobicContact CG2-CD1 3.99Å; T637-I641 WeakPolarHBondContact O-CD1 3.42Å; T637-I641 VanDerWaalsContact O-CG1 3.25Å; T637-I641 WeakPolarHBondContact O-CG1 3.49Å; T637-I641 PolarHBondContact O-N 2.76Å; E639-I641 VanDerWaalsContact C-N 3.32Å; E639-I641 PolarHBondContact O-N 3.03Å; I641-T644 PolarHBondContact O-N 3.08Å; I641-L645 HydrophobicContact CG2-CD1 3.97Å; I641-L645 WeakPolarHBondContact O-CG 3.46Å; I641-L645 PolarHBondContact O-N 2.83Å
642L84.6Confident75.9Confident100 Ų100116.9 Ų116.952%0.52458%0.58SS.*Hα-helixtrans-62-45179179.859.7000111.8Q638 E639 L645 M646Q638-L642 WeakPolarHBondContact O-CB 3.23Å; Q638-L642 PolarHBondContact O-N 2.79Å; E639-L642 PolarHBondContact O-N 3.04Å; L642-L645 PolarHBondContact O-N 2.81Å; L642-M646 HydrophobicContact CG-SD 4.41Å; L642-M646 WeakPolarHBondContact O-CG 3.11Å; L642-M646 PolarHBondContact O-N 2.6Å
643Q81.3Confident75.8Confident133 Ų133117.5 Ų117.562%0.62158%0.579SS**Hα-helixtrans-64.4-41.3178.4-162.8170.443.400111.4E639 L645 M646 Q647E639-Q643 WeakPolarHBondContact O-CB 3.43Å; E639-Q643 PolarHBondContact O-N 3.03Å; Q643-L645 VanDerWaalsContact C-N 3.33Å; Q643-L645 PolarHBondContact O-N 3.01Å; Q643-M646 PolarHBondContact O-N 3.03Å; Q643-Q647 WeakPolarHBondContact O-CB 3.45Å; Q643-Q647 PolarHBondContact O-N 2.98Å
644T85.7Confident75Confident68 Ų68117.9 Ų117.942%0.41758%0.584SS.*Hα-helixtrans-59.6-41.2172.6-58.10000112.2Q640 I641 R648Q640-T644 WeakPolarHBondContact O-CB 3.21Å; Q640-T644 PolarHBondContact O-N 3.28Å; Q640-T644 PolarHBondContact O-OG1 3.4Å; I641-T644 PolarHBondContact O-N 3.08Å; T644-R648 WeakPolarHBondContact O-CB 3.16Å; T644-R648 PolarHBondContact O-N 3.11Å
645L83.4Confident73.6Confident90 Ų90119.6 Ų119.647%0.47159%0.588SS.*Hα-helixtrans-69.4-39177.3-72.6170.2000112.3I641 L642 Q643 R648 K649I641-L645 HydrophobicContact CG2-CD1 3.97Å; I641-L645 WeakPolarHBondContact O-CG 3.46Å; I641-L645 PolarHBondContact O-N 2.83Å; L642-L645 PolarHBondContact O-N 2.81Å; Q643-L645 VanDerWaalsContact C-N 3.33Å; Q643-L645 PolarHBondContact O-N 3.01Å; L645-R648 PolarHBondContact O-N 3.39Å; L645-K649 WeakPolarHBondContact O-CB 3.43Å; L645-K649 PolarHBondContact O-N 3.15Å
646M80.1Confident72.1Confident128 Ų128118 Ų11863%0.63159%0.592SS**Hα-helixtrans-63.7-43.3174.6-73-179.766.800111.8L642 Q643 K649 A650L642-M646 HydrophobicContact CG-SD 4.41Å; L642-M646 WeakPolarHBondContact O-CG 3.11Å; L642-M646 PolarHBondContact O-N 2.6Å; Q643-M646 PolarHBondContact O-N 3.03Å; M646-K649 PolarHBondContact O-N 2.97Å; M646-A650 PolarHBondContact O-N 3.04Å
647Q76.2Confident70.7Confident142 Ų142117.3 Ų117.366%0.66460%0.601SS**Hα-helixtrans-64.9-41.9177.6-163.8169.324.900111.7Q643 K649 A650 Q651Q643-Q647 WeakPolarHBondContact O-CB 3.45Å; Q643-Q647 PolarHBondContact O-N 2.98Å; Q647-K649 VanDerWaalsContact C-N 3.35Å; Q647-K649 PolarHBondContact O-N 2.98Å; Q647-A650 PolarHBondContact O-N 2.75Å; Q647-Q651 PolarHBondContact O-N 3.15Å
648R76.6Confident68.4Low142 Ų142118 Ų11854%0.53662%0.621SS.*Hα-helixtrans-62.5-38.5173.2-172.4178.2-64.2153.23112.5T644 L645 Q651 Q652T644-R648 WeakPolarHBondContact O-CB 3.16Å; T644-R648 PolarHBondContact O-N 3.11Å; L645-R648 PolarHBondContact O-N 3.39Å; R648-Q651 PolarHBondContact O-N 2.93Å; R648-Q652 PolarHBondContact O-N 3.05Å
649K73Confident66.1Low143 Ų143115.6 Ų115.662%0.62263%0.629SS**Hα-helixtrans-65.5-44.2177.1-174.3177.2179.3-179.50111.7L645 M646 Q647 Q651 Q652 Q653L645-K649 WeakPolarHBondContact O-CB 3.43Å; L645-K649 PolarHBondContact O-N 3.15Å; M646-K649 PolarHBondContact O-N 2.97Å; Q647-K649 VanDerWaalsContact C-N 3.35Å; Q647-K649 PolarHBondContact O-N 2.98Å; K649-Q651 VanDerWaalsContact C-N 3.28Å; K649-Q651 PolarHBondContact O-N 2.68Å; K649-Q652 PolarHBondContact O-N 3.44Å; K649-Q653 PolarHBondContact O-N 3.11Å
650A68.6Low64Low67 Ų67116.1 Ų116.155%0.55465%0.65SS**Hα-helixtrans-58-42175.500000111.8M646 Q647 Q652 Q653M646-A650 PolarHBondContact O-N 3.04Å; Q647-A650 PolarHBondContact O-N 2.75Å; A650-Q652 VanDerWaalsContact C-N 3.31Å; A650-Q652 PolarHBondContact O-N 2.85Å; A650-Q653 PolarHBondContact O-N 3.12Å
651Q64.8Low61.5Low155 Ų155114 Ų11472%0.72466%0.66SS**Hα-helixtrans-73.9-16.2-179.7-161.71709.200114.4Q647 R648 K649Q647-Q651 PolarHBondContact O-N 3.15Å; R648-Q651 PolarHBondContact O-N 2.93Å; K649-Q651 VanDerWaalsContact C-N 3.28Å; K649-Q651 PolarHBondContact O-N 2.68Å
652Q57.7Low59.3Low147 Ų147115.9 Ų115.969%0.68768%0.678SS**Hα-helixtrans-87.5-16.8171.6-76.1-175.6-2300113.4R648 K649 A650 S654R648-Q652 PolarHBondContact O-N 3.05Å; K649-Q652 PolarHBondContact O-N 3.44Å; A650-Q652 VanDerWaalsContact C-N 3.31Å; A650-Q652 PolarHBondContact O-N 2.85Å; Q652-S654 VanDerWaalsContact C-N 3.31Å; Q652-S654 PolarHBondContact O-N 2.81Å
653Q55.1Low57Low157 Ų157118.8 Ų118.873%0.73469%0.693SS**SBendtrans-89.16.7-173-154.6162.90.700113.8K649 A650K649-Q653 PolarHBondContact O-N 3.11Å; A650-Q653 PolarHBondContact O-N 3.12Å
654S47.2Very low54.8Low90 Ų90118.8 Ų118.863%0.62970%0.704SS**SBendtrans-110.830-178.670.20000114.1Q652Q652-S654 VanDerWaalsContact C-N 3.31Å; Q652-S654 PolarHBondContact O-N 2.81Å
655Q46.6Very low52.2Low160 Ų160119.5 Ų119.575%0.74872%0.718SS**  trans-122.4121.5175.2-76.4-71.8-1.600109.9
656P43.1Very low49.7Very low110 Ų110123.6 Ų123.671%0.71473%0.734SS**  trans-81.7146.2179.932.7-34000112.2
657P49.7Very low47.3Very low135 Ų135124.7 Ų124.788%0.87774%0.737SS**  trans-86145.6174.834.4-33.7000112.2
658G32.6Very low44.9Very low82 Ų82128.1 Ų128.185%0.84574%0.744SS**  trans-168.5153.4172.800000111.4
659G33Very low42.6Very low71 Ų71127.6 Ų127.673%0.73276%0.756SS**  trans-156.3167.8-178.700000113.1
660A36.8Very low40.9Very low110 Ų110125.9 Ų125.991%0.90976%0.76SS**  trans65.1152.3-172.700000115.8
661G27.8Very low38.9Very low72 Ų72131.6 Ų131.674%0.74278%0.775SS**  trans-95.8-160.7176.300000112.6
662P41.3Very low37Very low132 Ų132132.5 Ų132.586%0.85778%0.781SS**  cis-122.6-167.114.242.2-28.4000115
663L35.8Very low35.5Very low161 Ų161133.6 Ų133.684%0.84379%0.791SS**  trans-66.7154.7178.4-65.2166.8000113.1
664P35.8Very low34.4Very low132 Ų132134.3 Ų134.386%0.85779%0.794SS**  -133176.791.638.2-28.2000114.2
665A31.5Very low33.4Very low84 Ų84135 Ų13569%0.69481%0.805SS**  trans-117.4151.6-168.400000114.3
666H31.5Very low32.4Very low175 Ų175134.3 Ų134.381%0.8180%0.802SS**  trans-154.9114.3156.5-108.5-88.7000113.8
667H29.1Very low31.7Very low152 Ų152136.1 Ų136.170%0.70480%0.801SS**  trans48.294.3142.6-69.784.5000124
668R26Very low30.6Very low214 Ų214135 Ų13581%0.80880%0.795SS**  72.9105103.5-165.7176.9-164.3-175.56.5122.5
669V27.5Very low30.4Very low130 Ų130141 Ų14179%0.78879%0.792SS**  trans72.1152.4136.3169.70000117.2
670P36.9Very low30Very low108 Ų108146.7 Ų146.770%0.70180%0.8SS**  cis-128.3153.114.217.98000120.1
671Q27.2Very low29.7Very low186 Ų186149.9 Ų149.987%0.86980%0.796SS**  42.7119.7125.4-156.51614.900121.8
672M25.1Very low29.8Very low175 Ų175151.8 Ų151.886%0.86280%0.798SS**  trans-86.2162.6165.5-62.9-153.3-51.700113.5
673L26.6Very low29.4Very low169 Ų169157.4 Ų157.489%0.88580%0.802SS**  trans-118.5163.3159.1-80.1173.6000111.3
674H32.1Very low29.2Very low173 Ų173156.8 Ų156.880%0.80180%0.804SS**  trans-70.9152.8-172.3-100.754.8000115.5
675A25.3Very low29.2Very low105 Ų105158.1 Ų158.187%0.86880%0.804SS**  trans-151.5138.4142.300000109.7
676Q26.1Very low29.1Very low145 Ų145160.5 Ų160.568%0.67881%0.809SS**  trans-137.8134.4-175.8172.7176.7-18.800111.4
677E27.7Very low29.1Very low147 Ų147154.9 Ų154.969%0.68780%0.799SS**  trans62.2168163.7-78.9-175.4109.500117.1
678C26.4Very low29.1Very low112 Ų112156.5 Ų156.576%0.75780%0.804SS**  cis-147.8174.924.4-158.20000115.3
679R29.5Very low29.5Very low207 Ų207154.4 Ų154.478%0.78181%0.808SS**  trans-67.6167.1175.4-60.3177.4173.8-164.4-1.7113
680E24Very low29.7Very low191 Ų191152 Ų15289%0.89381%0.809SS**  trans-120.9138.1156.9-165.7163.5-136.300111
681Q29.4Very low29.7Very low178 Ų178158 Ų15883%0.83282%0.818SS**  trans-149.3149.5169.3-95.2-167.26.200108.7
682S30.3Very low30.2Very low112 Ų112160.6 Ų160.678%0.78382%0.82SS**  trans-141.1131.3-178.21790000112.4
683R34.3Very low30.7Very low249 Ų249161.5 Ų161.594%0.9482%0.819SS**  trans-149.4160158.3-68.2-163.8-168.3-110.7-0.3109.6
684V30.7Very low31.3Very low148 Ų148161 Ų16190%0.89782%0.815SS**  trans-103.8163.5-168.7-179.90000112
685L36.4Very low31.6Very low160 Ų160158 Ų15884%0.83881%0.812SS**  trans-111.9152-167.6-178.172.3000113.2
686V29Very low32.5Very low135 Ų135162.5 Ų162.582%0.81881%0.812SS**  trans160.8140.3146151.40000108.9
687G30.8Very low33Very low57 Ų57161.6 Ų161.659%0.58882%0.818SS**  cis173.9162-10.100000114.2
688F29.8Very low33.3Very low186 Ų186159.1 Ų159.182%0.81682%0.823SS**  trans73.6115.7159.5-63-84.9000124.3
689L34.3Very low34.2Very low170 Ų170162.7 Ų162.789%0.8983%0.831SS**  trans70.4127.6133-63.8169.6000123.7
690G31.5Very low34.7Very low79 Ų79159.4 Ų159.481%0.81483%0.834SS**  trans172.6116.9156.500000114.8
691R37.2Very low35.6Very low235 Ų235153.6 Ų153.689%0.88783%0.825SS**  trans-77.6144.3172.2-71.7-176.5175.7-140.72.9111.5
692R37.7Very low36.5Very low239 Ų239153.4 Ų153.490%0.90282%0.824SS**  -178.1150.6113.2-98.7162.4-69.4-167.96.2115.4
693K35.2Very low36.8Very low194 Ų194159 Ų15984%0.84383%0.83SS**  trans-6.1135.5167.6-59-179.7176.7-176.40119.6
694I40.4Very low37.2Very low158 Ų158155 Ų15581%0.8183%0.826SS**PPolyproline II helixtrans-81.4129.5163.6-59.9160000110.3
695P38Very low37.6Very low112 Ų112155.6 Ų155.673%0.72782%0.823SS**PPolyproline II helixtrans-102.9130.5152.833.9-24.9000110.4P697P695-P697 WeakPolarHBondContact O-CD 3.26Å
696K44.5Very low37.7Very low199 Ų199154.7 Ų154.787%0.86582%0.819SS**PPolyproline II helixtrans-84123.7168.4-72.6-178.8176.5-179.90109.4
697P36Very low38.2Very low125 Ų125155.2 Ų155.281%0.81282%0.822SS**PPolyproline II helixtrans-70.7136.8160-10.928000109.2P695P695-P697 WeakPolarHBondContact O-CD 3.26Å
698A33.9Very low38.7Very low95 Ų95158 Ų15879%0.78583%0.833SS**PPolyproline II helixtrans-78.6160172.600000111.2T700A698-T700 PolarHBondContact O-N 3.12Å
699M44.7Very low39.3Very low187 Ų187154.5 Ų154.592%0.92183%0.827SS**PPolyproline II helixtrans-69.2123.3176.1-72.2-179.165.600112
700T40.7Very low39.4Very low139 Ų139158.4 Ų158.485%0.85383%0.831SS**  trans-134.8112.9155.240.80000108.3A698A698-T700 PolarHBondContact O-N 3.12Å
701G42.9Very low39.5Very low69 Ų69157.7 Ų157.771%0.71182%0.824SS**  trans-84.1135.8-174.600000112.7
702H47Very low39.8Very low173 Ų173158.9 Ų158.980%0.80183%0.829SS**  trans-160.948.2171.6-12178.4000115.5
703Y37.7Very low39.5Very low230 Ų230150 Ų15090%0.90281%0.811SS**  trans-133.281.2173.5-67-68.1000113.4
704L42.6Very low40.1Very low164 Ų164146.3 Ų146.386%0.85981%0.81SS**  trans-124.1162.1150.6-73.8176.4000108
705L39.6Very low39.7Very low161 Ų161147 Ų14784%0.84381%0.81SS**  trans69.297.8-171.7-63.289.9000116.2
706N38.6Very low39.6Very low142 Ų142146.8 Ų146.876%0.75981%0.811SS**  -167.384.4119.7-108.6-23.3000112.4
707V39.3Very low39Very low145 Ų145148.5 Ų148.588%0.87981%0.812SS**SBendtrans-138.135.7169.7-157.90000110.6
708S40.1Very low38.8Very low116 Ų116153.9 Ų153.981%0.81182%0.816SS**  trans-145.939.6-171.7-50.80000114.2
709T43.2Very low38.8Very low112 Ų112158.2 Ų158.269%0.68783%0.825SS**  trans-144.626-177.2120000115.5G711T709-G711 PolarHBondContact O-N 3.18Å; T709-G711 VanDerWaalsContact O-N 3.17Å
710Y36.2Very low38Very low252 Ų252157.7 Ų157.799%0.98882%0.82SS**  trans-83.939.9163.5-89.8-75.5000113.1
711G34.9Very low37.5Very low64 Ų64159.4 Ų159.466%0.6682%0.823SS**SBendtrans-96.6125.7166.800000110.2T709 G713T709-G711 PolarHBondContact O-N 3.18Å; T709-G711 VanDerWaalsContact O-N 3.17Å; G711-G713 PolarHBondContact O-N 3.18Å
712R43.1Very low36.7Very low260 Ų260160.9 Ų160.998%0.98182%0.823SS**  trans-69.294.8-179-70.7-174.6177.7-1423112.2
713G31Very low35.7Very low52 Ų52158.8 Ų158.854%0.53682%0.822SS.*  trans-73.9169.5160.700000112.5G711 E715G711-G713 PolarHBondContact O-N 3.18Å; G713-E715 WeakPolarHBondContact CA-OE1 3.22Å
714S46.8Very low35.1Very low117 Ų117153.1 Ų153.182%0.81882%0.815SS**  trans-136.373.2179.8-70.80000109.6
715E32.3Very low34.8Very low173 Ų173150.7 Ų150.781%0.80881%0.809SS**  trans-81122.4-169.4-47.3-43120.200111.5G713G713-E715 WeakPolarHBondContact CA-OE1 3.22Å
716S35.6Very low34.1Very low108 Ų108150 Ų15076%0.75581%0.806SS**  trans-140.694179.8167.10000112.4
717R32.5Very low33.6Very low235 Ų235153.5 Ų153.589%0.88781%0.814SS**  trans-165.1123.6155.5-103.1153.3-178.8-156.1-2.7107.1
718R32.7Very low33Very low238 Ų238152.1 Ų152.190%0.89881%0.811SS**  54.794.370.2-66.3-166.3-177.2-161.51.6112.5
719L32.6Very low32.4Very low185 Ų185151.2 Ų151.297%0.96981%0.81SS**  trans-79.2165.4155.3-78.4170.2000110.5
720H29.6Very low31.6Very low177 Ų177153.2 Ų153.282%0.81982%0.816SS**  trans-121.3121.9-169.4-173.9-86.3000109.1
721L30.2Very low31.1Very low175 Ų175146.9 Ų146.992%0.91680%0.795SS**  trans-135.6158.7176.1-132.577.5000110.5
722S25.9Very low30.9Very low100 Ų100152.6 Ų152.670%0.69980%0.797SS**  trans-109.1137.2-153.3510000116.1
723V24.4Very low29.9Very low129 Ų129148.6 Ų148.678%0.78279%0.789SS**  trans52.698.6138-174.10000118.1
724C25.3Very low29.7Very low111 Ų111151.6 Ų151.675%0.7580%0.802SS**  54.9149.3121.7-68.80000121.2
725P37.3Very low28.7Very low113 Ų113151.9 Ų151.973%0.73480%0.799SS**  cis-142.8155.141.839.9-20.4000120.3
726N23.6Very low28.3Very low146 Ų146151.2 Ų151.278%0.78180%0.801SS**  trans43.4122.3141.9-58.5-6.7000122.1
727K28.9Very low27.9Very low216 Ų216149.7 Ų149.794%0.93980%0.802SS**  -157.5169.8126.4-108159.1-171.3178.30111.4
728S27.2Very low27.6Very low116 Ų116146.1 Ų146.181%0.81179%0.794SS**  trans-126.6145.6-149.652.40000115.6
729A26.5Very low27.3Very low96 Ų96141.4 Ų141.479%0.79378%0.782SS**  trans169.1132.6155.500000106.6
730L27.7Very low27Very low155 Ų155138.1 Ų138.181%0.81277%0.77SS**  cis66.9126.436.4-134.2102000110.7
731E25.9Very low26.8Very low119 Ų119134.1 Ų134.156%0.55677%0.767SS**  cis-168.8176.221.9-154.5-178.8173.500110.9
732R29.9Very low26.7Very low184 Ų184135.4 Ų135.469%0.69477%0.765SS**  trans60.6137.1163.9-59.6-167.2-172.772.717.7118.3
733E21.7Very low26.7Very low175 Ų175135.8 Ų135.882%0.81876%0.764SS**  cis81.5105.932.1-166.9-171.6113.500114.9
734S26.4Very low26.8Very low116 Ų116138.3 Ų138.381%0.81177%0.767SS**  -161.8163.1128.6-158.80000109.7
735T26.2Very low26.9Very low123 Ų123141.3 Ų141.376%0.75577%0.77SS**  trans-129.5172.8-165.848.90000113.3
736D24.1Very low27Very low158 Ų158140.9 Ų140.985%0.84577%0.767SS**  trans81.8165.8159.2-132.1-75.5000118.3
737G27.8Very low27.1Very low76 Ų76138.8 Ų138.878%0.78477%0.77SS**  trans130.244.7-169.400000115.1
738K26.4Very low27.2Very low161 Ų161137.9 Ų137.970%0.777%0.766SS**  trans-82.8134.8177.7179.1-136.4176.4-150.10111.5
739E25.7Very low27.3Very low138 Ų138141 Ų14165%0.64577%0.765SS**  164154.3125.6-82.1-134.7117.600116.9
740T26.4Very low27.2Very low117 Ų117143.2 Ų143.272%0.71876%0.763SS**  trans38.7122.7155.655.70000121
741A26.2Very low27.1Very low92 Ų92143 Ų14376%0.7676%0.763SS**  cis88.3150.239.500000115.8
742K27.9Very low27.1Very low202 Ų202144.5 Ų144.588%0.87878%0.779SS**  trans92.5150.2-169.6-66.1-175.9178-177.70115.6
743T25.4Very low26.9Very low109 Ų109139.9 Ų139.967%0.66978%0.775SS**  cis-178.2160.8-32-96.80000106.9
744E25.8Very low27.1Very low181 Ų181137.5 Ų137.585%0.84677%0.772SS**  trans74.7103.7163.9-86.5161.6147.800120.5
745E27.1Very low27Very low174 Ų174138.1 Ų138.181%0.81377%0.771SS**  -41.8176.2128.6-85-119112.500114.5
746P40.4Very low27.1Very low104 Ų104144 Ų14468%0.67578%0.78SS**  cis-134.2159.7-21.530.7-12.9000113.8
747A26.1Very low27.2Very low103 Ų103142.9 Ų142.985%0.85178%0.779SS**  trans-145.1145.615900000112.1
748K30.4Very low27.3Very low197 Ų197147.6 Ų147.686%0.85778%0.778SS**  trans-126.7162.6176.4-67.1175.2-178.91690109.7
749K29Very low27.6Very low181 Ų181144.3 Ų144.379%0.78777%0.771SS**  trans89.1110165.3-53.9177.5-177.2178.50116.5
750D25.4Very low27.6Very low142 Ų142143.9 Ų143.976%0.75977%0.769SS**  41.4116.5108.4-35.1-40.4000117.9
751L24.6Very low27.8Very low152 Ų152145 Ų14580%0.79677%0.766SS**  -175.3116.5116.5-99.4157.7000111S753L751-S753 PolarHBondContact O-N 2.77Å
752V25.3Very low28.1Very low149 Ų149147.9 Ų147.990%0.90376%0.764SS**  trans-81.5102.8154.3172.90000106.7
753S27.1Very low28.2Very low87 Ų87141.1 Ų141.161%0.60875%0.751SS**  trans-76.5126.7-179.2-65.50000112.3L751L751-S753 PolarHBondContact O-N 2.77Å
754V24.9Very low28.2Very low125 Ų125141.5 Ų141.576%0.75876%0.757SS**  29.9105126.2-174.50000116.9
755T24.4Very low28.4Very low129 Ų129137.2 Ų137.279%0.79175%0.752SS**  39.5115.4127.1-44.20000119.6
756R27.7Very low28.5Very low246 Ų246134.7 Ų134.793%0.92875%0.749SS**  trans-146.2119.1147.6-159.2174.6-170.9-176.52.5112.2
757V27.2Very low28Very low136 Ų136135 Ų13582%0.82475%0.749SS**  trans-137.2120.2172.9174.80000109.6
758K29.6Very low28.1Very low175 Ų175141.3 Ų141.376%0.76175%0.751SS**  trans173.1151.3164.4-102.8-148.5152.8-153.30106.3E760K758-E760 IonicContact NZ-OE1 3.91Å
759T32.2Very low28Very low91 Ų91136.4 Ų136.456%0.55875%0.747SS**  cis-151.4-177.55.9-5.10000108.9
760E25.5Very low27.9Very low129 Ų129135.5 Ų135.560%0.60375%0.751SS**  cis-157.4147.311-150.370.4-111.500103.9K758K758-E760 IonicContact NZ-OE1 3.91Å
761Q31.9Very low28.3Very low141 Ų141135.8 Ų135.866%0.65975%0.752SS**  cis-158-173.8-0.8-133172.360.200106.3
762Q32.8Very low28.7Very low153 Ų153134.2 Ų134.272%0.71575%0.751SS**  cis-153.9147-4.5174.270.5-107.800104.8
763G30.3Very low28.8Very low60 Ų60131.2 Ų131.262%0.61974%0.742SS**  cis-130.3-104.7-3.800000110.9
764C25.3Very low28.7Very low117 Ų117131.7 Ų131.779%0.79175%0.745SS**  cis-157.8-158.5-10.4-158.70000108.6
765A29.2Very low28.7Very low90 Ų90134.3 Ų134.374%0.74475%0.747SS**  trans-70.7131.3178.700000112.1
766V29.6Very low28.8Very low121 Ų121135.6 Ų135.673%0.73374%0.744SS**  cis90.2129.137.6175.90000110.5
767T29.6Very low28.7Very low111 Ų111132 Ų13268%0.68174%0.737SS**  cis-153.9154.933.8-13.60000114.6
768R28.3Very low28.6Very low235 Ų235130.9 Ų130.989%0.88773%0.734SS**  trans23.7165.6132-69.5179-172.3-158.22.8122.8
769A27.3Very low28.7Very low95 Ų95128.7 Ų128.779%0.78574%0.741SS**  cis-174.3-177.1-21.600000109.6
770N27.9Very low28.6Very low162 Ų162127.7 Ų127.787%0.86675%0.749SS**  trans-79.7155.6-167.6-67.9-29.7000118.3
771D32.7Very low28.8Very low148 Ų148127.9 Ų127.979%0.79176%0.759SS**  trans2144.8150.9-98-70.8000121.5
772P34.6Very low28.4Very low119 Ų119130 Ų13077%0.77377%0.766SS**  -154.314984.340.1-20.9000120.5
773A26.3Very low28.4Very low86 Ų86128.1 Ų128.171%0.71177%0.765SS**  trans59.3109.4134.400000124.9
774S24.9Very low28.4Very low96 Ų96132.3 Ų132.367%0.67177%0.768SS**  87.5150.8124.4-151.30000123.4
775F25Very low29.5Very low180 Ų180133 Ų13379%0.78977%0.771SS**  trans82.2104.6160.1-67.4-65000123
776Q26.5Very low29.5Very low156 Ų156130.9 Ų130.973%0.72976%0.758SS**  95.6121.4107.8-155.1172.12.100122.9
777H25.9Very low29.7Very low170 Ų170130.9 Ų130.979%0.78776%0.763SS**  trans85.9157.4147.6-94.9-124.2000124.3
778C25.2Very low29.9Very low113 Ų113133.4 Ų133.476%0.76477%0.768SS**  trans-121.2160.1-157.2-38.90000113.9
779S32.6Very low30.3Very low129 Ų129126 Ų12690%0.90275%0.752SS**  trans161.8155.613845.80000108.4
780G29.6Very low30.6Very low71 Ų71128.7 Ų128.773%0.73275%0.753SS**  cis-172.6-160.41000000106.7
781V28.6Very low30.5Very low133 Ų133124 Ų12481%0.80674%0.744SS**  cis-170.3172.80.7117.80000108.7
782K25.3Very low30.4Very low186 Ų186121.8 Ų121.881%0.80975%0.746SS**  trans78.2140.9168.9-88.2-171.3173.2-176.90118.7
783T30.8Very low30.1Very low113 Ų113120.1 Ų120.169%0.69375%0.75SS**  cis-159.7150.6-17.8-30000112.4
784E31.7Very low30.3Very low148 Ų148119.6 Ų119.669%0.69275%0.753SS**  trans6.7154.3142.2-66.3-55.7103.400122G786E784-G786 WeakPolarHBondContact OE2-CA 3.29Å
785P46.9Very low30.9Very low130 Ų130119.8 Ų119.884%0.84476%0.761SS**  cis-117.1172.115.919.63000115.6
786G30.7Very low31.3Very low46 Ų46117.4 Ų117.447%0.47476%0.756SS.*  cis126.8157.6-400000114.3E784E784-G786 WeakPolarHBondContact OE2-CA 3.29Å
787S32.5Very low31.6Very low121 Ų121117 Ų11785%0.84676%0.759SS**  trans62.4166.8179.1-71.30000116.7
788E34.9Very low31.7Very low164 Ų164112.4 Ų112.477%0.76676%0.757SS**  cis-163.6169.1-39.674.4137.497.500107.3
789S37.2Very low31.9Very low81 Ų81114 Ų11457%0.56676%0.763SS**  cis-146.8-170.5-25.261.40000106
790N33Very low31.8Very low150 Ų150112.7 Ų112.780%0.80276%0.76SS**  cis-146.7-163.42-127.4-56.5000105.7
791G26.5Very low31.8Very low65 Ų65115 Ų11567%0.6777%0.765SS**  cis129.8140.3300000111.9
792A29.7Very low32.1Very low101 Ų101113 Ų11384%0.83576%0.762SS**  cis-161.1150.6-1100000111.3
793G27.8Very low32.4Very low83 Ų83113.9 Ų113.986%0.85677%0.766SS**  trans91159.4165.900000117.1
794G30.6Very low32.6Very low75 Ų75112.6 Ų112.677%0.77377%0.767SS**  cis160.286.4-7.900000116.7
795A37.3Very low32.7Very low101 Ų101114.6 Ų114.684%0.83577%0.773SS**  trans65.4174.8151.500000120.1
796D33.5Very low32Very low129 Ų129114.8 Ų114.869%0.6977%0.767SS**  trans-81.3153.1-164.342.9-73000116.5
797N32.6Very low32Very low149 Ų149117 Ų11780%0.79778%0.776SS**  164.2168.2118.6-92.5-69.8000114.3
798G27.9Very low31.9Very low73 Ų73116.5 Ų116.575%0.75377%0.772SS**  trans103.4101.3137.900000119
799V30.7Very low32.7Very low145 Ų145113.7 Ų113.788%0.87977%0.768SS**  trans-66.1140.7167.3170.70000112.3
800A30.6Very low32.2Very low103 Ų103119.2 Ų119.285%0.85178%0.782SS**  trans-137.1148.2155.300000110.1
801S29.6Very low32Very low118 Ų118116.9 Ų116.983%0.82578%0.778SS**  trans-132.1131.1-166.9178.20000113.2
802A33.6Very low32.8Very low91 Ų91119.1 Ų119.175%0.75278%0.781SS**  trans-159.4137156.500000112.4
803K32.7Very low33Very low205 Ų205118.7 Ų118.789%0.89178%0.777SS**  trans16.2139.7149-63.5176.9179.6177.10120.2
804A34.5Very low33Very low86 Ų86123.9 Ų123.971%0.71178%0.779SS**  cis-173.5153.4-8.600000110.7
805K34.8Very low33Very low190 Ų190130 Ų13083%0.82678%0.778SS**  trans68.1139.3151.9-151.7162.5-176178.10116.4
806D31.1Very low32.8Very low134 Ų134132 Ų13272%0.71778%0.775SS**  cis-132175-2.3-139.6-47000110.7
807S31.6Very low32.5Very low93 Ų93134.9 Ų134.965%0.6578%0.784SS**  trans-113136.5-163.359.10000117
808S30.9Very low32.4Very low111 Ų111134.1 Ų134.178%0.77678%0.779SS**  trans73.2175.5152.979.30000117.1
809P50.8Low32.4Very low104 Ų104138.5 Ų138.568%0.67578%0.78SS**  -132.7-152.9-81.240.9-23.1000112.6
810F25.5Very low32.5Very low197 Ų197140.2 Ų140.286%0.86478%0.783SS**  trans92133.5176.4-78.1-87.7000118.8
811S30.6Very low32.3Very low101 Ų101145.9 Ų145.971%0.70678%0.783SS**  trans-90.8-175.6164.338.30000110
812P41.8Very low32.2Very low113 Ų113145.9 Ų145.973%0.73477%0.773SS**  cis-128.7179.3-22.231.5-12.9000113.5
813A34.9Very low32Very low92 Ų92147.1 Ų147.176%0.7677%0.768SS**  trans61.7128.2149.300000120.2
814H27.9Very low32.2Very low192 Ų192143.6 Ų143.689%0.88976%0.758SS**  trans-143177.8146-140.9-105.5000112.8
815R30.7Very low32.3Very low203 Ų203148.3 Ų148.377%0.76677%0.766SS**  trans-123.5137.2-150174.4-178.8175.6173.4-2.1112.8
816N32.7Very low32Very low143 Ų143142.9 Ų142.977%0.76576%0.763SS**  trans46.5125.4158.8-56.98.2000119.8
817H27.3Very low32.1Very low190 Ų190143.8 Ų143.888%0.8877%0.768SS**  trans-135.8155.3141-159.1-86.3000109.2
818L30.4Very low32.1Very low132 Ų132145.3 Ų145.369%0.69178%0.779SS**  trans-108.1163.4-178.8-154.576.6000110.9
819E27.5Very low32.1Very low166 Ų166147.7 Ų147.778%0.77678%0.778SS**  trans51.1121.6164.9-74176.5112.200119.1
820L32.1Very low32.2Very low181 Ų181148.2 Ų148.295%0.94878%0.781SS**  -151.7157.2109.2-132.173.2000112.6
821R26.7Very low32.5Very low222 Ų222147 Ų14784%0.83877%0.772SS**  trans-101.9142.8-166171-164.7176.3177.32.5110.4
822N27.8Very low32.5Very low117 Ų117149 Ų14963%0.62677%0.774SS**  154.2125.1109.4-151.340.4000116.1
823N30.6Very low32.2Very low118 Ų118147.6 Ų147.663%0.63176%0.764SS**  trans19.9128.7144.5-65.51.2000124.5
824N35.8Very low31.9Very low131 Ų131150.2 Ų150.270%0.70176%0.764SS**  53.6135.7116.8-44.7-15.5000122.5
825Q36Very low31.9Very low185 Ų185149 Ų14986%0.86476%0.761SS**  -167.1153.4103.7-149.294.174.600111.6
826G29.5Very low31.8Very low75 Ų75145.9 Ų145.977%0.77376%0.759SS**  trans166.398.6170.700000112.6
827N32.8Very low32.8Very low154 Ų154144.4 Ų144.482%0.82476%0.758SS**  trans-111.5147.5-168.2-97.619.5000114
828S31.5Very low33Very low125 Ų125138.3 Ų138.387%0.87475%0.746SS**  trans-168.2132.3131.557.40000111.6
829E32.5Very low33.3Very low160 Ų160140 Ų14075%0.74875%0.75SS**  trans-130.6168171.6-153.2-156.3-11100108.5Y831E829-Y831 PolarHBondContact OE2-N 3.31Å
830P51.2Low33.6Very low116 Ų116139.4 Ų139.475%0.75375%0.747SS**  -153.1137.495.736.3-16.7000118.4
831Y31.7Very low33.5Very low171 Ų171138.5 Ų138.567%0.67174%0.738SS**  52.7118.5129.5-135.1-146.6000119.7E829 T833E829-Y831 PolarHBondContact OE2-N 3.31Å; Y831-T833 VanDerWaalsContact CE2-OG1 3.29Å; Y831-T833 WeakPolarHBondContact CE2-OG1 3.2Å
832L31.2Very low33.9Very low144 Ų144135.2 Ų135.275%0.75474%0.736SS**  -169.5-177.768.9-80.3159.2000111.3
833T34.6Very low34Very low83 Ų83135.8 Ų135.851%0.50974%0.744SS.*  171157.2-50.2-81.90000111Y831Y831-T833 VanDerWaalsContact CE2-OG1 3.29Å; Y831-T833 WeakPolarHBondContact CE2-OG1 3.2Å
834L29.3Very low34.2Very low147 Ų147134 Ų13477%0.7775%0.745SS**  trans75130.8177.6-100.574.5000117.6
835M29.1Very low34Very low165 Ų165136.5 Ų136.581%0.81375%0.751SS**  cis-141.9174.51.4-81.1-82.854.600113.9
836D27.6Very low33.7Very low138 Ų138133.9 Ų133.974%0.73874%0.739SS**  trans-135172.7-178.1-173.362.9000108.5
837P53.2Low33.7Very low113 Ų113139.6 Ų139.673%0.73474%0.737SS**  cis-124.4-165.31311.917.9000114.8
838G32.3Very low33.4Very low61 Ų61138 Ų13863%0.62973%0.733SS**  cis156.6-152.6-2.900000114.1
839H37.1Very low33.2Very low167 Ų167140.2 Ų140.277%0.77373%0.734SS**  trans76.3117.9178.9-62.4-84.6000118
840Q33.6Very low32.8Very low154 Ų154136.2 Ų136.272%0.7274%0.735SS**  89.3144.757.4-78.2-167.879.400113.8
841Q28.9Very low31.7Very low162 Ų162136.9 Ų136.976%0.75773%0.733SS**  cis-152.5178.120.4-155.3169.7-14.900114
842L35.5Very low31.6Very low153 Ų153135.8 Ų135.880%0.80173%0.734SS**  trans-88.4-174.3179.1-55.6105.1000113.2
843T31.2Very low31.3Very low130 Ų130137 Ų13780%0.79874%0.735SS**  cis-168-159.347.8-29.50000113.7
844A34.1Very low31.1Very low79 Ų79138.3 Ų138.365%0.65375%0.748SS**  trans-148.1-168.4-149.400000117.2
845F31.2Very low31.2Very low184 Ų184135.5 Ų135.581%0.80775%0.746SS**  trans84.4157.3169-56.6-66.5000117.7
846Q29.7Very low31.2Very low131 Ų131134.2 Ų134.261%0.61275%0.747SS**  cis-160.1150.1-0-132.6178.154.700116.5
847R29.1Very low31.1Very low194 Ų194132.1 Ų132.173%0.73275%0.749SS**  trans54.2123.6138.2-96.9-164.3-58.31761.8126.2
848T25.9Very low30Very low121 Ų121132 Ų13274%0.74275%0.751SS**  trans57.115113844.50000120.8
849L29Very low29.8Very low171 Ų171133.8 Ų133.890%0.89575%0.754SS**  cis-165.8148.438.7-142.5158.5000110.2
850G24.2Very low29.3Very low76 Ų76137.4 Ų137.478%0.78476%0.763SS**  trans167.5121.5172.300000117.5
851N26.8Very low29Very low131 Ų131133 Ų13370%0.70176%0.759SS**  trans-71.7162.8-168.6-167.634.6000118.1
852Q29.7Very low28.9Very low148 Ų148129.3 Ų129.369%0.69276%0.763SS**  trans31.9146.4150-85.1164.264.200122.1
853E24.7Very low28.7Very low168 Ų168128.6 Ų128.679%0.78577%0.766SS**  cis-156.4-172.64.6-174.6147.89500111.1
854S31.5Very low28.6Very low112 Ų112130.5 Ų130.578%0.78377%0.769SS**  trans-57.2168.8178.9-50.90000115.1
855A30.5Very low28.1Very low87 Ų87132 Ų13272%0.71978%0.775SS**  cis-158.8149.724.300000116.5
856V29.6Very low27.8Very low138 Ų138131.8 Ų131.884%0.83678%0.779SS**  trans44.891.9136.6-171.30000120.7
857A26.4Very low27.8Very low95 Ų95131.1 Ų131.179%0.78579%0.788SS**  75.2144.4119.200000125.3
858S28.6Very low28Very low109 Ų109127.6 Ų127.676%0.76279%0.788SS**  trans94.389143.8-125.40000121.6
859S27.8Very low28.6Very low99 Ų99127.6 Ų127.669%0.69279%0.79SS**  50.2104.1129.964.50000121.5
860Y27.2Very low28.7Very low244 Ų244127.8 Ų127.896%0.95779%0.786SS**  -144.5163.5125.9-122.3-114000105
861G28.1Very low29.3Very low62 Ų62130.1 Ų130.164%0.63979%0.785SS**  cis130.981.317.400000107.6
862G27.1Very low29.7Very low83 Ų83131.7 Ų131.786%0.85679%0.793SS**PPolyproline II helixtrans-94.4118.7-167.200000114.1
863T31.4Very low29.7Very low139 Ų139131.3 Ų131.385%0.85380%0.795SS**PPolyproline II helixtrans-93.4150.3168.246.90000111
864I27.4Very low30Very low170 Ų170132.1 Ų132.187%0.87280%0.799SS**PPolyproline II helixtrans-103.3125.9168.9-57.6177.2000107.3
865S25.1Very low29.8Very low110 Ų110132.1 Ų132.177%0.76980%0.799SS**PPolyproline II helixtrans-97.4148.9179.2-166.80000111.1
866M24.5Very low29.8Very low180 Ų180134.9 Ų134.989%0.88781%0.807SS**  trans-107.2134.6170.8-67.3-162.973.600110.2
867S29.2Very low29.9Very low116 Ų116133 Ų13381%0.81181%0.805SS**  trans-112141.4179.339.80000111.8
868V34.5Very low30Very low121 Ų121132.2 Ų132.273%0.73381%0.807SS**PPolyproline II helixtrans-97.9133.6176.4-179.30000109
869P37.2Very low30Very low120 Ų120133.6 Ų133.678%0.77981%0.811SS**PPolyproline II helixtrans-85.3133170.632.8-31.2000111.1
870H31.5Very low30Very low175 Ų175132.8 Ų132.881%0.8181%0.811SS**PPolyproline II helixtrans-95.5157.1168-82-76.7000112.1
871T36.6Very low30.2Very low125 Ų125126.4 Ų126.477%0.76780%0.801SS**  trans-42.2143.9179.151.60000116.9
872L34.9Very low30.4Very low164 Ų164129.3 Ų129.386%0.85981%0.812SS**  trans-138.7142144.1-142.689.1000110.1
873N29.9Very low30.6Very low140 Ų140129.7 Ų129.775%0.74981%0.807SS**  trans-90.9159.9167.7-70.3-62.2000109.8
874H31.3Very low31.1Very low186 Ų186129 Ų12986%0.86181%0.805SS**  179.2162.3122.8-89.6-57.7000110.6
875S27.8Very low31.2Very low111 Ų111125.4 Ų125.478%0.77680%0.795SS**  trans-109.2175.7-164.7-49.20000113.7
876T30.9Very low31.7Very low146 Ų146126 Ų12690%0.89680%0.799SS**  trans109.6147.2150.4-33.40000116.1
877A31.6Very low32.1Very low97 Ų97125.4 Ų125.480%0.80279%0.794SS**  trans-75.7158.9-165.200000115.6
878G27.9Very low32.3Very low80 Ų80126.9 Ų126.983%0.82580%0.798SS**  trans-155.4108.4174.300000112.2
879T27.9Very low32.2Very low138 Ų138128.5 Ų128.585%0.84780%0.803SS**  trans-84150.5-165-550000115
880A28.1Very low31.8Very low82 Ų82126.4 Ų126.468%0.67880%0.802SS**  trans80.7126152.700000123.3
881S31.1Very low31.7Very low109 Ų109121.4 Ų121.476%0.76280%0.799SS**  trans49.6129.1136.565.90000120.7
882S32.2Very low31.4Very low124 Ų124119.2 Ų119.287%0.86780%0.8SS**  -167160.76336.60000113.4
883A32.5Very low31.5Very low91 Ų91119 Ų11975%0.75280%0.798SS**  trans-115167.3166.900000109
884P40.5Very low31.8Very low123 Ų123118.2 Ų118.280%0.79980%0.803SS**  -144157.29237.6-22.4000116.7
885S30.9Very low31.9Very low95 Ų95112.7 Ų112.766%0.66480%0.796SS**  trans-8.6132.4160.655.20000120.5
886S33.8Very low32.2Very low123 Ų123113 Ų11386%0.8680%0.799SS**  -155.1143.8102.744.80000111.1
887E33Very low32.4Very low167 Ų167112.1 Ų112.178%0.7879%0.793SS**  trans-111.2140.5-166.947.6-96.374.500115.5
888V34.5Very low32.7Very low147 Ų147116 Ų11689%0.89180%0.797SS**  trans-152.7143.5145.464.90000109.3
889D31.1Very low32.7Very low156 Ų156117.7 Ų117.783%0.83480%0.795SS**  trans-87.3158.3-171.1-1677.2000113
890G30Very low32.9Very low75 Ų75120.2 Ų120.277%0.77380%0.795SS**  trans177.944.6-174.100000114.2G892G890-G892 PolarHBondContact O-N 2.67Å
891G29.8Very low32.9Very low71 Ų71121.1 Ų121.173%0.73280%0.796SS**  trans-65123.5-17200000116.1
892G29.8Very low33Very low78 Ų78122.2 Ų122.280%0.80480%0.798SS**  trans-119.7120.2165.900000111.3G890G890-G892 PolarHBondContact O-N 2.67Å
893I36Very low33.2Very low159 Ų159121.5 Ų121.582%0.81579%0.789SS**  trans-115.2115.9-176.2-55.7177.4000110.1G895I893-G895 PolarHBondContact O-N 3.47Å
894C36.8Very low33Very low125 Ų125123 Ų12385%0.84579%0.788SS**  trans-79.1103.9176.554.50000111.9S896C894-S896 PolarHBondContact O-N 3.14Å
895G33.6Very low32.7Very low70 Ų70122.4 Ų122.472%0.72278%0.783SS**  trans-79.495.6171.100000111.9I893I893-G895 PolarHBondContact O-N 3.47Å
896S33.7Very low33Very low118 Ų118123.8 Ų123.883%0.82579%0.787SS**  trans-76.7124.2173.8-172.50000110.9C894C894-S896 PolarHBondContact O-N 3.14Å
897V36.1Very low33Very low127 Ų127125.3 Ų125.377%0.7778%0.784SS**  trans-118.8118.5178.8-163.30000109.1S899V897-S899 PolarHBondContact O-N 3.19Å
898M37.2Very low33Very low179 Ų179123 Ų12388%0.88278%0.783SS**  trans-74.5114.3-179.3-71.7178161.900111.2
899S28.9Very low32.7Very low114 Ų114121 Ų12180%0.79778%0.782SS**  trans-85125171-56.70000111.4V897V897-S899 PolarHBondContact O-N 3.19Å
900F30.3Very low32.6Very low191 Ų191117.2 Ų117.284%0.83878%0.78SS**  trans-87.3110.5173.644.5-88.6000110.5
901S30.1Very low32.6Very low102 Ų102123.1 Ų123.171%0.71379%0.787SS**  trans-103.1105.2175.947.80000111.1T903S901-T903 PolarHBondContact O-N 3.08Å; S901-T903 VanDerWaalsContact O-N 3.15Å
902V33Very low32.5Very low132 Ų132124.6 Ų124.680%0.879%0.792SS**  trans-79.796.6173.9-179.80000109V904V902-V904 PolarHBondContact O-N 3.4Å
903T34.7Very low32.5Very low108 Ų108128.4 Ų128.466%0.66379%0.793SS**  trans-82.6105.4-179.5-55.10000110.6S901 T905S901-T903 PolarHBondContact O-N 3.08Å; S901-T903 VanDerWaalsContact O-N 3.15Å; T903-T905 PolarHBondContact O-N 3.18Å
904V28.9Very low32.3Very low122 Ų122126.4 Ų126.474%0.73979%0.785SS**  trans-82.389.8173.6-178.60000109.5V902 T906V902-V904 PolarHBondContact O-N 3.4Å; V904-T906 PolarHBondContact O-N 3.11Å
905T34.5Very low32.2Very low112 Ų112129 Ų12969%0.68778%0.784SS**  trans-70.6108.4178.8-54.20000111.4T903T903-T905 PolarHBondContact O-N 3.18Å
906T36.6Very low32.1Very low123 Ų123130.3 Ų130.376%0.75578%0.782SS**PPolyproline II helixtrans-89.9130.7164.549.70000109.4V904V904-T906 PolarHBondContact O-N 3.11Å
907I34.1Very low31.9Very low155 Ų155132.1 Ų132.180%0.79578%0.782SS**PPolyproline II helixtrans-93.9121.3-176.8-60.2176000109.5
908P33Very low31.8Very low119 Ų119134 Ų13477%0.77378%0.782SS**PPolyproline II helixtrans-72136.1172.7-16.131.2000111.7G910P908-G910 PolarHBondContact O-N 3.14Å
909A27.7Very low31.2Very low105 Ų105128.8 Ų128.887%0.86878%0.775SS**  trans-86.2103.7173.500000111
910G29.6Very low31.1Very low76 Ų76130.2 Ų130.278%0.78477%0.769SS**  trans-108.3127.117300000112P908P908-G910 PolarHBondContact O-N 3.14Å
911H30.7Very low31.3Very low200 Ų200127 Ų12793%0.92677%0.767SS**  trans-95.3123.5174.3-88.6-80.1000111.8
912A27Very low31.1Very low102 Ų102126.1 Ų126.184%0.84376%0.761SS**  trans-147.2136150.100000108.3
913L30.6Very low30.7Very low157 Ų157130.7 Ų130.782%0.82276%0.764SS**  trans-136.8132.4168.6-166101.4000108
914D31.9Very low30.5Very low118 Ų118132.1 Ų132.163%0.63176%0.763SS**  trans-77.5175.9177.2-151.1-66.6000111.4S916D914-S916 PolarHBondContact OD1-OG 3Å
915H33.7Very low30.7Very low180 Ų180134 Ų13483%0.83376%0.764SS**  trans-166.6122.9137.9-95.4-47.7000111.4
916S32.2Very low30.3Very low96 Ų96132.9 Ų132.967%0.67176%0.761SS**  trans-104.2166.3-167.2-18.50000114.2D914D914-S916 PolarHBondContact OD1-OG 3Å
917N29.3Very low29.7Very low157 Ų157136.3 Ų136.384%0.8477%0.766SS**  trans-172.8150.8161.5-115.8-115.2000108.6
918Q34.8Very low29.7Very low165 Ų165135.3 Ų135.377%0.77176%0.76SS**  cis-166.4160.7-23.1-117-65.119.900107.5
919G24.3Very low29.9Very low71 Ų71137.9 Ų137.973%0.73276%0.762SS**  trans159.9105.2171.800000115.8
920E26.5Very low30.1Very low144 Ų144136.5 Ų136.567%0.67376%0.758SS**  trans-94159178.7-112.6-83.6101.200111.6S922E920-S922 PolarHBondContact OE1-N 3.1Å; E920-S922 WeakPolarHBondContact OE2-CB 3.5Å; E920-S922 PolarHBondContact OE2-N 3.18Å
921P35.2Very low30.3Very low122 Ų122137.1 Ų137.179%0.79276%0.755SS**  -154123.681.137.3-15.3000119.6
922S24.4Very low30.3Very low85 Ų85135.1 Ų135.159%0.59475%0.752SS**  25.1128129.9-172.60000123.1E920E920-S922 PolarHBondContact OE1-N 3.1Å; E920-S922 WeakPolarHBondContact OE2-CB 3.5Å; E920-S922 PolarHBondContact OE2-N 3.18Å
923R26.1Very low31Very low228 Ų228136.9 Ų136.986%0.8674%0.744SS**  -166.6103.7125.9-153.9168.1-172.61720.4109.5
924E30Very low31.8Very low137 Ų137138.5 Ų138.564%0.6475%0.747SS**  64122.781.1-176.9173.2-135.100113.4
925Q31.8Very low32.3Very low163 Ų163138.4 Ų138.476%0.76275%0.747SS**  cis-153.7-173.91.5-129.9-176.9100.500108
926S26.1Very low32.6Very low87 Ų87134.5 Ų134.561%0.60874%0.736SS**  cis-169.11522.246.80000110.7
927F25Very low33.2Very low196 Ų196135.4 Ų135.486%0.8673%0.729SS**  trans65.9135.2158.3-124.5-141.3000117.1
928I34.1Very low34.2Very low133 Ų133133.1 Ų133.168%0.68273%0.726SS**  cis-132.9153.116.5-76173.6000111.5
929E37.7Very low35Very low174 Ų174132.6 Ų132.681%0.81372%0.721SS**  trans-2.4119.4154.8-148.272-14400118.5
930G31.5Very low36.9Very low76 Ų76131.9 Ų131.978%0.78470%0.704SS**  trans-150.1104167.700000110.1
931A33.5Very low38.5Very low88 Ų88136.1 Ų136.173%0.72772%0.715SS**  trans-70.5136.7-166.200000113.5M933A931-M933 PolarHBondContact O-N 2.69Å
932N31.4Very low40.3Very low159 Ų159131.4 Ų131.485%0.8569%0.685SS**  trans-70.9118171.9-176.4-91.4000110.4
933M42.3Very low42Very low138 Ų138137.8 Ų137.868%0.6870%0.696SS**  trans-134.6174.3166.8-72.6-158.269.500109.8A931 V936A931-M933 PolarHBondContact O-N 2.69Å; M933-V936 HydrophobicContact CE-CG2 4.11Å
934E45.5Very low43.9Very low191 Ų191133.9 Ų133.989%0.89369%0.692SS**SBendtrans78.430.7173.4-50.1-165.5102.900118.1
935D42.7Very low45.5Very low117 Ų117132.1 Ų132.163%0.62668%0.682SS**  -11657.5122.9-172.823.4000110.9Q937D935-Q937 PolarHBondContact O-N 2.74Å; D935-Q937 WeakPolarHBondContact OD1-CG 3.49Å; D935-Q937 PolarHBondContact OD1-N 3.23Å
936V40.8Very low47.3Very low97 Ų97128.2 Ų128.259%0.58868%0.677SS**  trans-88.463.3158.8-169.10000108.3M933 S938M933-V936 HydrophobicContact CE-CG2 4.11Å; V936-S938 PolarHBondContact O-N 3.47Å
937Q43.6Very low50.2Low116 Ų116129.4 Ų129.454%0.54268%0.675SS.*  trans-41.7118150.3-94.5177.920.600107.8D935 K939D935-Q937 PolarHBondContact O-N 2.74Å; D935-Q937 WeakPolarHBondContact OD1-CG 3.49Å; D935-Q937 PolarHBondContact OD1-N 3.23Å; Q937-K939 PolarHBondContact O-N 3.44Å; Q937-K939 VanDerWaalsContact OE1-NZ 3.12Å
938S50.9Low53Low109 Ų109122.5 Ų122.576%0.76265%0.646SS**  trans-74.169.5-168.9-42.30000111.7V936 C940V936-S938 PolarHBondContact O-N 3.47Å; S938-C940 PolarHBondContact O-N 2.05Å; S938-C940 PolarHBondContact O-SG 3.49Å
939K51.6Low55.7Low154 Ų154121.6 Ų121.667%0.6764%0.64SS**  trans-68.666.3171.7-73.9166.5-177.21400109Q937 Y941Q937-K939 PolarHBondContact O-N 3.44Å; Q937-K939 VanDerWaalsContact OE1-NZ 3.12Å; K939-Y941 PolarHBondContact O-N 3.25Å
940C63.7Low58.2Low56 Ų56113.3 Ų113.338%0.37860%0.602SS.*  trans-61118.6178.845.80000109.6S938 C942 H958 C961S938-C940 PolarHBondContact O-N 2.05Å; S938-C940 PolarHBondContact O-SG 3.49Å; C940-C942 HydrophobicContact CB-CB 4.29Å; C940-C942 PolarHBondContact O-N 2.86Å; C940-H958 PolarHBondContact SG-ND1 3.5Å; C940-H958 VanDerWaalsContact SG-ND1 3.44Å; C940-C961 WeakPolarHBondContact CB-SG 3.34Å
941Y60Low60.9Low232 Ų232117.5 Ų117.591%0.9160%0.599SS**  trans-718.3174.1-96.6-94.7000113.4K939 R943K939-Y941 PolarHBondContact O-N 3.25Å; Y941-R943 PolarHBondContact O-N 2.91Å
942C74.3Confident63.4Low23 Ų23115.9 Ų115.916%0.15559%0.59CS.*  trans-51.1129.6168.1-64.50000109.7C940 L944 H958 D960 C961C940-C942 HydrophobicContact CB-CB 4.29Å; C940-C942 PolarHBondContact O-N 2.86Å; C942-L944 PolarHBondContact O-N 3.25Å; C942-H958 HydrophobicContact CB-CB 3.7Å; C942-D960 HydrophobicContact CB-CB 3.91Å; C942-D960 PolarHBondContact SG-O 3.36Å; C942-C961 HydrophobicContact CB-CB 4.25Å; C942-C961 WeakPolarHBondContact CB-SG 3.48Å; C942-C961 VanDerWaalsContact SG-CA 3.6Å; C942-C961 WeakPolarHBondContact SG-CB 3.44Å; C942-C961 PolarHBondContact SG-N 3.11Å; C942-C961 CovalentContact SG-SG 2.05Å; C942-C961 PolarHBondContact SG-SG 3Å
943R58.8Low66.3Low220 Ų220111.8 Ų111.883%0.8357%0.573SS**  trans-84.346.3-160.6-72.5-173.7171.8-177.5-0.1114.2Y941 K945 D960Y941-R943 PolarHBondContact O-N 2.91Å; R943-K945 PolarHBondContact O-N 3.34Å; R943-D960 PolarHBondContact N-OD2 2.86Å
944L66.2Low68.3Low146 Ų146107 Ų10776%0.76456%0.559SS**  trans47.332.9175.6-64.2173.8000114.4C942C942-L944 PolarHBondContact O-N 3.25Å
945K64.3Low70.3Confident99 Ų99100 Ų10043%0.4353%0.534SS..  trans-63.1163.2165.3-84.1157.6129.6-159.80110.3R943 M947 D959 D960R943-K945 PolarHBondContact O-N 3.34Å; K945-M947 PolarHBondContact O-N 3.15Å; K945-D959 HydrophobicContact CB-CB 3.82Å; K945-D959 HydrophobicContact CD-CB 4.2Å; K945-D959 WeakPolarHBondContact CE-OD2 3.34Å; K945-D959 IonicContact NZ-OD2 2.67Å; K945-D959 PolarHBondContact NZ-OD2 2.96Å; K945-D960 WeakPolarHBondContact CD-OD1 3.44Å; K945-D960 IonicContact NZ-OD1 2.81Å; K945-D960 PolarHBondContact NZ-OD1 3.36Å
946A70.3Confident72.4Confident81 Ų81100.7 Ų100.767%0.66953%0.531SS*.  trans-45.3135.2177.800000111.9
947M86.2Confident74.7Confident113 Ų11397.2 Ų97.256%0.55751%0.511SS*.EExtended strand (participates in β ladder)trans-75.8133.1179.1-57.2179.384.600109.8K945 F956 C957K945-M947 PolarHBondContact O-N 3.15Å; M947-F956 HydrophobicContact CB-CB 4.19Å; M947-F956 HydrophobicContact CB-CD1 4.38Å; M947-F956 HydrophobicContact CE-CB 3.86Å; M947-C957 CarbonylContact C-O 3.56Å; M947-C957 VanDerWaalsContact CA-O 3.29Å; M947-C957 WeakPolarHBondContact CA-O 3.33Å
948I84.4Confident76.8Confident50 Ų5093.3 Ų93.326%0.25649%0.493SS..EExtended strand (participates in β ladder)trans-115.4133.1-179.1-58.1-176.6000108.4C950 C957 D959 I962I948-C950 PolarHBondContact O-N 2.82Å; I948-C957 PolarHBondContact N-O 3.05Å; I948-C957 PolarHBondContact O-N 2.84Å; I948-D959 HydrophobicContact CD1-CB 3.99Å; I948-D959 WeakPolarHBondContact CD1-OD1 3.3Å; I948-I962 HydrophobicContact CB-CD1 4.22Å; I948-I962 HydrophobicContact CG2-CD1 3.79Å
949M89.8Confident78.2Confident114 Ų11491 Ų9156%0.56247%0.472SS*.EExtended strand (participates in β ladder)trans-70.6125.2177-175.2169.965.900111.2G954 F956M949-G954 WeakPolarHBondContact CG-O 3.21Å; M949-F956 HydrophobicContact CB-CD1 4.34Å; M949-F956 HydrophobicContact CB-CE1 4.15Å
950C91.4Very high79.7Confident1 Ų187.4 Ų87.41%0.00746%0.46CS..  trans-65.3127.7170175.40000110.6I948 G952 G954 A955 C968I948-C950 PolarHBondContact O-N 2.82Å; C950-G952 VanDerWaalsContact C-N 3.27Å; C950-G952 PolarHBondContact O-N 3.47Å; C950-G952 PolarHBondContact SG-N 3.29Å; C950-G952 VanDerWaalsContact SG-N 3.36Å; C950-G954 VanDerWaalsContact O-CA 3.24Å; C950-G954 WeakPolarHBondContact O-CA 3.36Å; C950-G954 PolarHBondContact O-N 3.02Å; C950-A955 VanDerWaalsContact CB-O 3.3Å; C950-A955 WeakPolarHBondContact CB-O 3.3Å; C950-A955 PolarHBondContact N-O 3.21Å; C950-C968 HydrophobicContact CB-CB 4.15Å; C950-C968 PolarHBondContact SG-N 3.03Å
951K87.7Confident80.6Confident164 Ų16486.1 Ų86.171%0.71345%0.452SS*.THydrogen-bonded Turntrans-67.7-22.2176.8-76.1-171.8168.8-169.40114.6K966 L967K951-K966 HydrophobicContact CD-CB 4.25Å; K951-K966 HydrophobicContact CG-CB 4.16Å; K951-K966 PolarHBondContact N-O 3.29Å; K951-L967 HydrophobicContact CB-CD2 3.95Å
952G86.3Confident81.8Confident53 Ų5376.3 Ų76.355%0.54641%0.414SS..THydrogen-bonded Turntrans-84.7-51-176.600000112.9C950C950-G952 VanDerWaalsContact C-N 3.27Å; C950-G952 PolarHBondContact O-N 3.47Å; C950-G952 PolarHBondContact SG-N 3.29Å; C950-G952 VanDerWaalsContact SG-N 3.36Å
953C90.9Very high82.2Confident73 Ų7375.9 Ų75.949%0.49341%0.414SS..THydrogen-bonded Turntrans-114.91.6-174.763.90000114.9A955 C968 C971C953-A955 PolarHBondContact O-N 3.48Å; C953-A955 VanDerWaalsContact SG-CB 3.57Å; C953-C968 VanDerWaalsContact SG-SG 3.65Å; C953-C971 VanDerWaalsContact SG-SG 3.62Å
954G85.6Confident83.3Confident38 Ų3872 Ų7239%0.39242%0.417SS..  trans69.8-4.9-177.200000115.4M949 C950M949-G954 WeakPolarHBondContact CG-O 3.21Å; C950-G954 VanDerWaalsContact O-CA 3.24Å; C950-G954 WeakPolarHBondContact O-CA 3.36Å; C950-G954 PolarHBondContact O-N 3.02Å
955A87.4Confident84.3Confident43 Ų4368.3 Ų68.336%0.35540%0.404SS..  trans-66.4141.3-179.200000112.2C950 C953C950-A955 VanDerWaalsContact CB-O 3.3Å; C950-A955 WeakPolarHBondContact CB-O 3.3Å; C950-A955 PolarHBondContact N-O 3.21Å; C953-A955 PolarHBondContact O-N 3.48Å; C953-A955 VanDerWaalsContact SG-CB 3.57Å
956F87.1Confident85.3Confident132 Ų13269 Ų6958%0.57941%0.407SS*.EExtended strand (participates in β ladder)trans-80.4117.1173.1-71.4-84.1000110.5M947 M949M947-F956 HydrophobicContact CB-CB 4.19Å; M947-F956 HydrophobicContact CB-CD1 4.38Å; M947-F956 HydrophobicContact CE-CB 3.86Å; M949-F956 HydrophobicContact CB-CD1 4.34Å; M949-F956 HydrophobicContact CB-CE1 4.15Å
957C87.9Confident86.3Confident24 Ų2465.8 Ų65.816%0.16238%0.378CS..EExtended strand (participates in β ladder)trans-115.1155.8178.2-59.70000110.5M947 I948 I962 C968M947-C957 CarbonylContact C-O 3.56Å; M947-C957 VanDerWaalsContact CA-O 3.29Å; M947-C957 WeakPolarHBondContact CA-O 3.33Å; I948-C957 PolarHBondContact N-O 3.05Å; I948-C957 PolarHBondContact O-N 2.84Å; C957-I962 HydrophobicContact CB-CB 4.44Å; C957-C968 WeakPolarHBondContact SG-CB 3.4Å
958H87.6Confident86.4Confident35 Ų3560.9 Ų60.916%0.16236%0.355CS..EExtended strand (participates in β ladder)trans-64.9150.2169.8-56123000110.9C940 C942 D960 C961 I962C940-H958 PolarHBondContact SG-ND1 3.5Å; C940-H958 VanDerWaalsContact SG-ND1 3.44Å; C942-H958 HydrophobicContact CB-CB 3.7Å; H958-D960 VanDerWaalsContact C-N 3.29Å; H958-D960 PolarHBondContact O-N 2.84Å; H958-C961 HydrophobicContact CB-CB 3.95Å; H958-C961 CarbonylContact O-C 3.45Å; H958-C961 WeakPolarHBondContact O-CA 3.28Å; H958-C961 VanDerWaalsContact O-CB 3.3Å; H958-C961 WeakPolarHBondContact O-CB 3.24Å; H958-C961 PolarHBondContact O-N 3.06Å; H958-I962 PolarHBondContact O-N 3.35Å
959D81.5Confident86.3Confident61 Ų6163 Ų6333%0.32637%0.37SS..G310 helixtrans-54.2-39.8176-179.458.7000113.2K945 I948 C961K945-D959 HydrophobicContact CB-CB 3.82Å; K945-D959 HydrophobicContact CD-CB 4.2Å; K945-D959 WeakPolarHBondContact CE-OD2 3.34Å; K945-D959 IonicContact NZ-OD2 2.67Å; K945-D959 PolarHBondContact NZ-OD2 2.96Å; I948-D959 HydrophobicContact CD1-CB 3.99Å; I948-D959 WeakPolarHBondContact CD1-OD1 3.3Å; D959-C961 PolarHBondContact O-N 2.82Å
960D81.9Confident86Confident77 Ų7762 Ų6241%0.41237%0.374SS..G310 helixtrans-76.2-3.6175.8-41.2-51.6000113.4C942 R943 K945 H958C942-D960 HydrophobicContact CB-CB 3.91Å; C942-D960 PolarHBondContact SG-O 3.36Å; R943-D960 PolarHBondContact N-OD2 2.86Å; K945-D960 WeakPolarHBondContact CD-OD1 3.44Å; K945-D960 IonicContact NZ-OD1 2.81Å; K945-D960 PolarHBondContact NZ-OD1 3.36Å; H958-D960 VanDerWaalsContact C-N 3.29Å; H958-D960 PolarHBondContact O-N 2.84Å
961C82.8Confident85.8Confident30 Ų3063 Ų6320%0.20338%0.382CS..G310 helixtrans-116.24.3-173.1-85.10000112.9C940 C942 H958 D959C940-C961 WeakPolarHBondContact CB-SG 3.34Å; C942-C961 HydrophobicContact CB-CB 4.25Å; C942-C961 WeakPolarHBondContact CB-SG 3.48Å; C942-C961 VanDerWaalsContact SG-CA 3.6Å; C942-C961 WeakPolarHBondContact SG-CB 3.44Å; C942-C961 PolarHBondContact SG-N 3.11Å; C942-C961 CovalentContact SG-SG 2.05Å; C942-C961 PolarHBondContact SG-SG 3Å; H958-C961 HydrophobicContact CB-CB 3.95Å; H958-C961 CarbonylContact O-C 3.45Å; H958-C961 WeakPolarHBondContact O-CA 3.28Å; H958-C961 VanDerWaalsContact O-CB 3.3Å; H958-C961 WeakPolarHBondContact O-CB 3.24Å; H958-C961 PolarHBondContact O-N 3.06Å; D959-C961 PolarHBondContact O-N 2.82Å
962I86.1Confident85.5Confident25 Ų2558.1 Ų58.113%0.12836%0.363CS..BIsolated β-bridgetrans-114.7133.1176.8-157.9177.3000108.8I948 C957 H958 K966 L967I948-I962 HydrophobicContact CB-CD1 4.22Å; I948-I962 HydrophobicContact CG2-CD1 3.79Å; C957-I962 HydrophobicContact CB-CB 4.44Å; H958-I962 PolarHBondContact O-N 3.35Å; I962-K966 HydrophobicContact CD1-CB 4.17Å; I962-L967 VanDerWaalsContact CG1-O 3.28Å; I962-L967 WeakPolarHBondContact CG1-O 3.46Å
963G81.7Confident85.1Confident15 Ų1561.3 Ų61.316%0.15537%0.371CS..  trans-73.7167.5178.700000112.7S965 K966 L967G963-S965 PolarHBondContact O-N 3.21Å; G963-K966 WeakPolarHBondContact O-CA 3.44Å; G963-K966 PolarHBondContact O-N 3.09Å; G963-L967 PolarHBondContact N-O 3.21Å
964P81.9Confident83.7Confident137 Ų13763.7 Ų63.789%0.8938%0.383SS*.THydrogen-bonded Turntrans-57.1-29.1-174.622.2-33.7000113.7K966P964-K966 PolarHBondContact O-N 3.31Å; P964-K966 VanDerWaalsContact O-N 3.11Å
965S87.7Confident82.2Confident69 Ų6971.7 Ų71.748%0.48341%0.411SS..THydrogen-bonded Turntrans-67.5-1.8174-45.80000114.7G963 L967G963-S965 PolarHBondContact O-N 3.21Å; S965-L967 VanDerWaalsContact C-N 3.33Å
966K86.1Confident82Confident113 Ų11373.2 Ų73.249%0.49141%0.413SS..SBendtrans57.742.3-166.6-57.8-168.5177.6-170.30112.9K951 I962 G963 P964K951-K966 HydrophobicContact CD-CB 4.25Å; K951-K966 HydrophobicContact CG-CB 4.16Å; K951-K966 PolarHBondContact N-O 3.29Å; I962-K966 HydrophobicContact CD1-CB 4.17Å; G963-K966 WeakPolarHBondContact O-CA 3.44Å; G963-K966 PolarHBondContact O-N 3.09Å; P964-K966 PolarHBondContact O-N 3.31Å; P964-K966 VanDerWaalsContact O-N 3.11Å
967L89.4Confident81.7Confident14 Ų1470.1 Ų70.17%0.07341%0.405CS..  trans-117.4141.9173.4-63.9178.9000109.3K951 I962 G963 S965 C971 L972K951-L967 HydrophobicContact CB-CD2 3.95Å; I962-L967 VanDerWaalsContact CG1-O 3.28Å; I962-L967 WeakPolarHBondContact CG1-O 3.46Å; G963-L967 PolarHBondContact N-O 3.21Å; S965-L967 VanDerWaalsContact C-N 3.33Å; L967-C971 HydrophobicContact CB-CB 4.05Å; L967-C971 HydrophobicContact CD2-CB 4.23Å; L967-L972 HydrophobicContact CB-CD1 4.46Å; L967-L972 HydrophobicContact CB-CD2 3.81Å; L967-L972 HydrophobicContact CB-CG 3.76Å; L967-L972 HydrophobicContact CD1-CD2 4.08Å; L967-L972 WeakPolarHBondContact O-CD1 3.34Å
968C89.1Confident81.4Confident10 Ų1072.6 Ų72.67%0.06842%0.418CS..BIsolated β-bridgetrans-71.2163.4171.871.20000110.5C950 C953 C957 S970 C971 L972C950-C968 HydrophobicContact CB-CB 4.15Å; C950-C968 PolarHBondContact SG-N 3.03Å; C953-C968 VanDerWaalsContact SG-SG 3.65Å; C957-C968 WeakPolarHBondContact SG-CB 3.4Å; C968-S970 VanDerWaalsContact C-N 3.25Å; C968-S970 PolarHBondContact O-N 3.36Å; C968-C971 PolarHBondContact O-N 3.41Å; C968-C971 PolarHBondContact SG-N 2.93Å; C968-C971 VanDerWaalsContact SG-SG 3.62Å; C968-L972 WeakPolarHBondContact O-CG 3.47Å; C968-L972 PolarHBondContact O-N 2.78Å
969V83.4Confident81Confident95 Ų9574.8 Ų74.858%0.57643%0.433SS*.Hα-helixtrans-51.6-44.7-180-175.90000111.7C971 L972 V973V969-C971 VanDerWaalsContact C-N 3.3Å; V969-C971 PolarHBondContact O-N 3.33Å; V969-L972 PolarHBondContact O-N 3.31Å; V969-L972 VanDerWaalsContact O-N 3.09Å; V969-V973 WeakPolarHBondContact O-CG2 3.35Å; V969-V973 PolarHBondContact O-N 3.26Å
970S82.9Confident81Confident92 Ų9275.7 Ų75.764%0.64344%0.44SS*.Hα-helixtrans-62.8-30.1177.6-45.60000114.1C968 V974C968-S970 VanDerWaalsContact C-N 3.25Å; C968-S970 PolarHBondContact O-N 3.36Å; S970-V974 WeakPolarHBondContact O-CG2 3.29Å
971C86.3Confident80.9Confident24 Ų2475.6 Ų75.616%0.16244%0.442CS..Hα-helixtrans-86.2-14.8175.1-71.30000113.4C953 L967 C968 V969C953-C971 VanDerWaalsContact SG-SG 3.62Å; L967-C971 HydrophobicContact CB-CB 4.05Å; L967-C971 HydrophobicContact CD2-CB 4.23Å; C968-C971 PolarHBondContact O-N 3.41Å; C968-C971 PolarHBondContact SG-N 2.93Å; C968-C971 VanDerWaalsContact SG-SG 3.62Å; V969-C971 VanDerWaalsContact C-N 3.3Å; V969-C971 PolarHBondContact O-N 3.33Å
972L81.5Confident80.8Confident61 Ų6178.9 Ų78.932%0.31946%0.459SS..Hα-helixtrans-86.2-24.2176.3-72162.6000112.7L967 C968 V969 V974L967-L972 HydrophobicContact CB-CD1 4.46Å; L967-L972 HydrophobicContact CB-CD2 3.81Å; L967-L972 HydrophobicContact CB-CG 3.76Å; L967-L972 HydrophobicContact CD1-CD2 4.08Å; L967-L972 WeakPolarHBondContact O-CD1 3.34Å; C968-L972 WeakPolarHBondContact O-CG 3.47Å; C968-L972 PolarHBondContact O-N 2.78Å; V969-L972 PolarHBondContact O-N 3.31Å; V969-L972 VanDerWaalsContact O-N 3.09Å; L972-V974 VanDerWaalsContact C-N 3.31Å
973V78.1Confident80.4Confident120 Ų12083 Ų8373%0.72748%0.484SS*.SBendtrans-85.5-6.3177177.40000112V969V969-V973 WeakPolarHBondContact O-CG2 3.35Å; V969-V973 PolarHBondContact O-N 3.26Å
974V62.5Low80.2Confident123 Ų12388.7 Ų88.775%0.74551%0.512SS*.  trans-120.336.8-177.8-168.40000110.4S970 L972S970-V974 WeakPolarHBondContact O-CG2 3.29Å; L972-V974 VanDerWaalsContact C-N 3.31Å
975Q54Low80.1Confident206 Ų20684.3 Ų84.396%0.96348%0.477SS*.  trans-126.10170.5-75.5-158.9-53.800110.9

Retrieved 975 of 975 residues in 460.7 ms (Link to these results)