A0A087Y459_POEFO Loading...

Sine oculis binding protein homolog (Drosophila) a

Implicated in development of the cochlea.

AlphaFold DB , UniProt , Accession A0A087Y459, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 841 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M44.1Very low45.8Very low236 Ų236163.1 Ų163.1100%1.16385%0.849SS**  0800-57.1175.2-17000108.6
2A43Very low45.4Very low87 Ų87165.4 Ų165.472%0.71985%0.852SS**  cis55.7120.24.200000116.4
3E43.9Very low45.1Very low190 Ų190164.3 Ų164.389%0.88885%0.849SS**  trans63.9142.4-174.6-54.4177.5110.800112.5
4M48.4Very low45.4Very low169 Ų169166.6 Ų166.683%0.83385%0.85SS**  cis-138.7159.11.759-133112.200107.3
5E50.8Low45.5Very low178 Ų178170.8 Ų170.883%0.83285%0.851SS**  -141.1151.654.3-71.9169.670.300113.4
6K48.9Very low45.5Very low200 Ų200166.4 Ų166.487%0.8784%0.842SS**  trans-13088.9166.1-93.6-172.7173.9179.10109.4
7E44.5Very low46Very low188 Ų188170.9 Ų170.988%0.87985%0.846SS**  trans-155.5136.6165.5-135.877.6-109.500105.8
8G41.3Very low46.4Very low71 Ų71171.7 Ų171.773%0.73284%0.844SS**  cis164.175.62.300000108.1
9R39.5Very low46.6Very low243 Ų243169.5 Ų169.592%0.91784%0.844SS**  trans-122.9120.1-177-147.2176.3-160.4177.86.6111
10P49.3Very low46.5Very low112 Ų112165.8 Ų165.873%0.72784%0.841SS**  trans-64.5144.4-178-2333.7000112.7
11P49.7Very low46.6Very low120 Ų120166.1 Ų166.178%0.77984%0.839SS**  trans-69.1133.317228.9-33.6000110.7N13P11-N13 PolarHBondContact O-N 3.32Å
12E41.6Very low46.9Very low191 Ų191160 Ų16089%0.89382%0.817SS**  trans-65.4107.6175.7-72.6-171.19300110.9K14E12-K14 PolarHBondContact O-N 2.64Å; E12-K14 VanDerWaalsContact O-N 3.1Å
13N40.7Very low47.2Very low151 Ų151161.7 Ų161.781%0.80782%0.818SS**  trans-67110-179.3-173.8-8.8000110.4P11 R15P11-N13 PolarHBondContact O-N 3.32Å; N13-R15 VanDerWaalsContact C-N 3.28Å; N13-R15 PolarHBondContact O-N 2.87Å
14K49.2Very low47.8Very low197 Ų197162.3 Ų162.386%0.85782%0.817SS**  trans-64.982.7178.2-69.6-176.8179177.60110.8E12 S16E12-K14 PolarHBondContact O-N 2.64Å; E12-K14 VanDerWaalsContact O-N 3.1Å; K14-S16 PolarHBondContact O-N 3.12Å
15R47Very low48.3Very low229 Ų229164.6 Ų164.686%0.86482%0.817SS**  trans-63.195.8-176.1-168.5175.9-172.2174.43.8111.6N13 R17N13-R15 VanDerWaalsContact C-N 3.28Å; N13-R15 PolarHBondContact O-N 2.87Å; R15-R17 PolarHBondContact O-N 3.07Å
16S46.5Very low48.7Very low101 Ų101165.1 Ų165.171%0.70682%0.819SS**  trans-51121.8175.9179.90000111.5K14 K18K14-S16 PolarHBondContact O-N 3.12Å; S16-K18 PolarHBondContact O-N 3.49Å
17R53.6Low49.5Very low242 Ų242162.1 Ų162.191%0.91381%0.811SS**  trans-87.883.4177.3-66.6-171.2-178.6-154.12.2109.8R15R15-R17 PolarHBondContact O-N 3.07Å
18K53.9Low50.9Low186 Ų186157.3 Ų157.381%0.80979%0.792SS**PPolyproline II helixtrans-57.8134.9161.1-68.6-172.8176.9-1750108.6S16 A20S16-K18 PolarHBondContact O-N 3.49Å; K18-A20 PolarHBondContact O-N 2.92Å
19P48.8Very low52.9Low130 Ų130160.4 Ų160.484%0.84479%0.787SS**PPolyproline II helixtrans-57133.9170.2-23.934.4000110.2
20A45.4Very low54.8Low95 Ų95155.5 Ų155.579%0.78577%0.774SS**PPolyproline II helixtrans-71.4132.5175.900000109.7K18K18-A20 PolarHBondContact O-N 2.92Å
21H48.2Very low56.4Low172 Ų172156.5 Ų156.580%0.79677%0.771SS**PPolyproline II helixtrans-60.8134.5174.1-158.9-78.9000109.2V23H21-V23 PolarHBondContact O-N 2.97Å
22P50.2Low58Low109 Ų109154.2 Ų154.271%0.70875%0.749SS**  trans-60.3113.5178-24.234.5000110.4K24P22-K24 PolarHBondContact O-N 2.95Å
23V50.8Low60Low121 Ų121148 Ų14873%0.73373%0.727SS**  trans-70.7111.3167.4176.40000106.6H21 R25H21-V23 PolarHBondContact O-N 2.97Å; V23-R25 HydrophobicContact CG1-CG 4.28Å; V23-R25 PolarHBondContact O-N 3.49Å
24K55.5Low62.4Low203 Ų203147.6 Ų147.688%0.88372%0.718SS**  trans-62.192161-77.9-172.8175.7-176.40107.2P22P22-K24 PolarHBondContact O-N 2.95Å
25R59.2Low64.5Low218 Ų218140.7 Ų140.782%0.82370%0.697SS**  trans-68.3127.7158.9-59.4-175-170.3120.51.5105.8V23 I27V23-R25 HydrophobicContact CG1-CG 4.28Å; V23-R25 PolarHBondContact O-N 3.49Å; R25-I27 PolarHBondContact O-N 2.87Å
26E59.8Low66.5Low188 Ų188132.2 Ų132.288%0.87967%0.668SS**  trans-57.9128.9165.8-70.6170.712500107.7N28E26-N28 PolarHBondContact O-N 2.99Å
27I64.2Low68.5Low138 Ų138131.3 Ų131.371%0.70866%0.655SS**  trans-72.7104.3172.3-63.7173.8000104.6R25 E29 M31R25-I27 PolarHBondContact O-N 2.87Å; I27-E29 PolarHBondContact O-N 2.96Å; I27-M31 HydrophobicContact CG2-CB 4.41Å
28N75.6Confident70.4Confident86 Ų86122.3 Ų122.346%0.4663%0.627SS.*  trans-45.5133.1179.7179.40000110.1E26 E30 M31 K32E26-N28 PolarHBondContact O-N 2.99Å; N28-E30 PolarHBondContact ND2-OE2 2.83Å; N28-E30 PolarHBondContact O-N 2.66Å; N28-E30 PolarHBondContact OD1-N 3.16Å; N28-E30 VanDerWaalsContact OD1-N 3.15Å; N28-M31 WeakPolarHBondContact O-CA 3.08Å; N28-M31 WeakPolarHBondContact O-CB 3.45Å; N28-M31 PolarHBondContact O-N 3.45Å; N28-K32 PolarHBondContact O-N 3.15Å
29E82.1Confident72.2Confident137 Ų137118.5 Ų118.564%0.6461%0.613SS**Hα-helixtrans-61.9-26.7-176.6-167.5138.8-124.900112I27 M31 K32 S33I27-E29 PolarHBondContact O-N 2.96Å; E29-M31 VanDerWaalsContact C-N 3.3Å; E29-M31 PolarHBondContact O-N 2.76Å; E29-K32 PolarHBondContact O-N 2.86Å; E29-K32 IonicContact OE1-NZ 2.7Å; E29-S33 WeakPolarHBondContact O-CB 3.5Å; E29-S33 PolarHBondContact O-N 3.16Å; E29-S33 PolarHBondContact O-OG 3.14Å
30E79.5Confident74.2Confident139 Ų139112.8 Ų112.865%0.6558%0.575SS**Hα-helixtrans-58.4-39167.2-61.9179.7129.800112.4N28 S33 F34N28-E30 PolarHBondContact ND2-OE2 2.83Å; N28-E30 PolarHBondContact O-N 2.66Å; N28-E30 PolarHBondContact OD1-N 3.16Å; N28-E30 VanDerWaalsContact OD1-N 3.15Å; E30-S33 WeakPolarHBondContact CA-OG 3.36Å; E30-S33 PolarHBondContact O-OG 3.21Å; E30-S33 VanDerWaalsContact O-OG 3.13Å; E30-F34 WeakPolarHBondContact O-CB 3.1Å; E30-F34 PolarHBondContact O-N 2.8Å
31M83.1Confident76.5Confident134 Ų134113 Ų11366%0.6656%0.56SS**Hα-helixtrans-77.8-28.8180-158.6171.2-163.100112.2I27 N28 E29 A35I27-M31 HydrophobicContact CG2-CB 4.41Å; N28-M31 WeakPolarHBondContact O-CA 3.08Å; N28-M31 WeakPolarHBondContact O-CB 3.45Å; N28-M31 PolarHBondContact O-N 3.45Å; E29-M31 VanDerWaalsContact C-N 3.3Å; E29-M31 PolarHBondContact O-N 2.76Å; M31-A35 WeakPolarHBondContact O-CB 3.22Å; M31-A35 PolarHBondContact O-N 3.03Å
32K83.2Confident78.7Confident72 Ų72109.2 Ų109.231%0.31355%0.545SS..Hα-helixtrans-69.5-51.4172.1-176.3-177170.9-165.80111N28 E29 A35 E36 L53N28-K32 PolarHBondContact O-N 3.15Å; E29-K32 PolarHBondContact O-N 2.86Å; E29-K32 IonicContact OE1-NZ 2.7Å; K32-A35 PolarHBondContact O-N 2.78Å; K32-E36 WeakPolarHBondContact O-CB 3.32Å; K32-E36 PolarHBondContact O-N 3.39Å; K32-L53 HydrophobicContact CD-CD1 4.47Å; K32-L53 HydrophobicContact CG-CD1 4.01Å
33S84.1Confident80.7Confident60 Ų60106.1 Ų106.142%0.4252%0.522SS..Hα-helixtrans-66.1-34.9177.3530000113.2E29 E30 E36 N37E29-S33 WeakPolarHBondContact O-CB 3.5Å; E29-S33 PolarHBondContact O-N 3.16Å; E29-S33 PolarHBondContact O-OG 3.14Å; E30-S33 WeakPolarHBondContact CA-OG 3.36Å; E30-S33 PolarHBondContact O-OG 3.21Å; E30-S33 VanDerWaalsContact O-OG 3.13Å; S33-E36 PolarHBondContact O-N 3.16Å; S33-N37 WeakPolarHBondContact O-CB 3.19Å; S33-N37 PolarHBondContact O-N 2.97Å
34F91.4Very high82.6Confident143 Ų143102.4 Ų102.463%0.62751%0.509SS*.Hα-helixtrans-61.7-43.9170.6177.9-95.3000112.2E30 T38E30-F34 WeakPolarHBondContact O-CB 3.1Å; E30-F34 PolarHBondContact O-N 2.8Å; F34-T38 WeakPolarHBondContact O-CB 3.25Å; F34-T38 PolarHBondContact O-N 2.82Å; F34-T38 PolarHBondContact O-OG1 3.17Å
35A93.2Very high84Confident51 Ų51103.3 Ų103.342%0.42151%0.507SS..Hα-helixtrans-65.6-42.8176.400000111.7M31 K32 T38 M39M31-A35 WeakPolarHBondContact O-CB 3.22Å; M31-A35 PolarHBondContact O-N 3.03Å; K32-A35 PolarHBondContact O-N 2.78Å; A35-T38 PolarHBondContact O-N 2.86Å; A35-M39 WeakPolarHBondContact O-CB 3.48Å; A35-M39 WeakPolarHBondContact O-CG 3.39Å; A35-M39 PolarHBondContact O-N 2.83Å
36E87.5Confident85.1Confident52 Ų52101.8 Ų101.824%0.24350%0.503CS..Hα-helixtrans-60.8-49.5176-176.8169.5-171.400112K32 S33 T38 M39 N40 E52 L53K32-E36 WeakPolarHBondContact O-CB 3.32Å; K32-E36 PolarHBondContact O-N 3.39Å; S33-E36 PolarHBondContact O-N 3.16Å; E36-T38 PolarHBondContact O-N 2.99Å; E36-M39 PolarHBondContact O-N 2.9Å; E36-N40 VanDerWaalsContact O-CB 3.24Å; E36-N40 WeakPolarHBondContact O-CB 3.25Å; E36-N40 VanDerWaalsContact O-CG 3.28Å; E36-N40 PolarHBondContact O-N 3.5Å; E36-N40 PolarHBondContact O-ND2 3.18Å; E36-E52 WeakPolarHBondContact OE1-CA 3.49Å; E36-L53 WeakPolarHBondContact OE1-CB 2.98Å; E36-L53 PolarHBondContact OE1-N 2.82Å
37N90.2Very high85.9Confident81 Ų8196.2 Ų96.243%0.43350%0.496SS..Hα-helixtrans-62.6-43175.5-176.670000111.9S33 M39 N40 E41S33-N37 WeakPolarHBondContact O-CB 3.19Å; S33-N37 PolarHBondContact O-N 2.97Å; N37-M39 VanDerWaalsContact C-N 3.32Å; N37-M39 PolarHBondContact O-N 3.47Å; N37-N40 CarbonylContact O-C 3.5Å; N37-N40 PolarHBondContact O-N 2.91Å; N37-N40 VanDerWaalsContact O-N 3.14Å; N37-E41 PolarHBondContact ND2-OE1 2.92Å; N37-E41 PolarHBondContact O-N 2.75Å
38T91.9Very high86.7Confident54 Ų5497.2 Ų97.233%0.33149%0.492SS..Hα-helixtrans-59.4-42.5177.6-57.70000111.6F34 A35 E36 L42F34-T38 WeakPolarHBondContact O-CB 3.25Å; F34-T38 PolarHBondContact O-N 2.82Å; F34-T38 PolarHBondContact O-OG1 3.17Å; A35-T38 PolarHBondContact O-N 2.86Å; E36-T38 PolarHBondContact O-N 2.99Å; T38-L42 HydrophobicContact CG2-CD1 4.36Å; T38-L42 VanDerWaalsContact O-CG 3.31Å; T38-L42 WeakPolarHBondContact O-CG 3.19Å; T38-L42 PolarHBondContact O-N 3.27Å; T38-L42 VanDerWaalsContact O-N 3.1Å
39M91.9Very high87.1Confident106 Ų106100.2 Ų100.252%0.52251%0.508SS..Hα-helixtrans-67.6-40.7174.6-72.2-62.5-62.600112.1A35 E36 N37 E41 L42 L43A35-M39 WeakPolarHBondContact O-CB 3.48Å; A35-M39 WeakPolarHBondContact O-CG 3.39Å; A35-M39 PolarHBondContact O-N 2.83Å; E36-M39 PolarHBondContact O-N 2.9Å; N37-M39 VanDerWaalsContact C-N 3.32Å; N37-M39 PolarHBondContact O-N 3.47Å; M39-E41 VanDerWaalsContact C-N 3.32Å; M39-E41 PolarHBondContact O-N 2.58Å; M39-L42 PolarHBondContact O-N 2.86Å; M39-L42 HydrophobicContact SD-CD1 4.49Å; M39-L43 WeakPolarHBondContact O-CB 3.18Å; M39-L43 VanDerWaalsContact O-CG 3.31Å; M39-L43 WeakPolarHBondContact O-CG 3.27Å; M39-L43 PolarHBondContact O-N 2.82Å
40N92.1Very high87.1Confident9 Ų999.8 Ų99.85%0.04850%0.504CS..Hα-helixtrans-77.7-12.9-179.1-74-25000114.4E36 N37 K50 V51E36-N40 VanDerWaalsContact O-CB 3.24Å; E36-N40 WeakPolarHBondContact O-CB 3.25Å; E36-N40 VanDerWaalsContact O-CG 3.28Å; E36-N40 PolarHBondContact O-N 3.5Å; E36-N40 PolarHBondContact O-ND2 3.18Å; N37-N40 CarbonylContact O-C 3.5Å; N37-N40 PolarHBondContact O-N 2.91Å; N37-N40 VanDerWaalsContact O-N 3.14Å; N40-K50 HydrophobicContact CB-CB 4.22Å; N40-K50 HydrophobicContact CB-CD 4.33Å; N40-K50 HydrophobicContact CB-CG 4.01Å; N40-K50 PolarHBondContact O-NZ 2.71Å; N40-K50 WeakPolarHBondContact OD1-CA 3.33Å; N40-V51 PolarHBondContact ND2-O 2.68Å; N40-V51 PolarHBondContact OD1-N 3.1Å; N40-V51 PolarHBondContact OD1-O 3.27Å
41E93.3Very high86.6Confident101 Ų10197.7 Ų97.747%0.47250%0.5SS..Hα-helixtrans-77.5-54.9159.3-76.7-178.2-150.600110N37 M39 L43 G44 W45N37-E41 PolarHBondContact ND2-OE1 2.92Å; N37-E41 PolarHBondContact O-N 2.75Å; M39-E41 VanDerWaalsContact C-N 3.32Å; M39-E41 PolarHBondContact O-N 2.58Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.3Å; E41-G44 PolarHBondContact O-N 3.33Å; E41-W45 PolarHBondContact O-N 3.06Å
42L93.4Very high86Confident92 Ų9297 Ų9748%0.48250%0.496SS..Hα-helixtrans-54.3-43.6-179-73.7169000112.9T38 M39 W45 Y46T38-L42 HydrophobicContact CG2-CD1 4.36Å; T38-L42 VanDerWaalsContact O-CG 3.31Å; T38-L42 WeakPolarHBondContact O-CG 3.19Å; T38-L42 PolarHBondContact O-N 3.27Å; T38-L42 VanDerWaalsContact O-N 3.1Å; M39-L42 PolarHBondContact O-N 2.86Å; M39-L42 HydrophobicContact SD-CD1 4.49Å; L42-W45 PolarHBondContact O-N 3.21Å; L42-Y46 WeakPolarHBondContact O-CD2 3.18Å
43L91.8Very high84.8Confident43 Ų4396.8 Ų96.823%0.22550%0.497CS..Hα-helixtrans-63.4-42.7176.2-74170.5000112.3M39 E41 W45 Y46 G47 Y48 V51M39-L43 WeakPolarHBondContact O-CB 3.18Å; M39-L43 VanDerWaalsContact O-CG 3.31Å; M39-L43 WeakPolarHBondContact O-CG 3.27Å; M39-L43 PolarHBondContact O-N 2.82Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.3Å; L43-W45 VanDerWaalsContact C-N 3.3Å; L43-W45 PolarHBondContact O-N 3.06Å; L43-Y46 CarbonylContact O-C 3.56Å; L43-Y46 PolarHBondContact O-N 3.39Å; L43-G47 PolarHBondContact O-N 3.49Å; L43-G47 VanDerWaalsContact O-N 3.17Å; L43-Y48 HydrophobicContact CD2-CD2 4.27Å; L43-Y48 HydrophobicContact CD2-CG 4.33Å; L43-Y48 PolarHBondContact O-N 2.75Å; L43-V51 HydrophobicContact CD1-CB 4.44Å; L43-V51 HydrophobicContact CD1-CG2 3.8Å
44G91.3Very high83.6Confident44 Ų44102 Ų10245%0.45451%0.508SS..Hα-helixtrans-62.4-33.1177.100000113.4E41 Y46 G47E41-G44 PolarHBondContact O-N 3.33Å; G44-Y46 PolarHBondContact O-N 2.98Å; G44-G47 PolarHBondContact O-N 3.5Å; G44-G47 VanDerWaalsContact O-N 3.12Å
45W85.5Confident81.6Confident222 Ų222100.8 Ų100.884%0.84151%0.508SS*.Hα-helixtrans-67.2-19.9174.6-76.151000113.4E41 L42 L43E41-W45 PolarHBondContact O-N 3.06Å; L42-W45 PolarHBondContact O-N 3.21Å; L43-W45 VanDerWaalsContact C-N 3.3Å; L43-W45 PolarHBondContact O-N 3.06Å
46Y81.1Confident79.8Confident186 Ų186101.6 Ų101.673%0.72951%0.514SS*.THydrogen-bonded Turntrans-102.22173.2-64.6-71000113.4L42 L43 G44L42-Y46 WeakPolarHBondContact O-CD2 3.18Å; L43-Y46 CarbonylContact O-C 3.56Å; L43-Y46 PolarHBondContact O-N 3.39Å; G44-Y46 PolarHBondContact O-N 2.98Å
47G77.8Confident77.8Confident71 Ų71104.8 Ų104.873%0.73253%0.533SS*.THydrogen-bonded Turntrans77.323.8179.200000114.8L43 G44L43-G47 PolarHBondContact O-N 3.49Å; L43-G47 VanDerWaalsContact O-N 3.17Å; G44-G47 PolarHBondContact O-N 3.5Å; G44-G47 VanDerWaalsContact O-N 3.12Å
48Y81.7Confident75.6Confident159 Ų159107.6 Ų107.662%0.62455%0.548SS*.PPolyproline II helixtrans-90.9149.7168-65.4-80.8000110.7L43L43-Y48 HydrophobicContact CD2-CD2 4.27Å; L43-Y48 HydrophobicContact CD2-CG 4.33Å; L43-Y48 PolarHBondContact O-N 2.75Å
49D82.8Confident73.4Confident149 Ų149112.2 Ų112.280%0.79757%0.57SS**PPolyproline II helixtrans-64.7161.2172.8-66.7-57.6000112.1
50K81.7Confident70.7Confident127 Ų127115.8 Ų115.855%0.55259%0.585SS**PPolyproline II helixtrans-72.5134.5177.7-64.1-174.8174-69.20109.9N40N40-K50 HydrophobicContact CB-CB 4.22Å; N40-K50 HydrophobicContact CB-CD 4.33Å; N40-K50 HydrophobicContact CB-CG 4.01Å; N40-K50 PolarHBondContact O-NZ 2.71Å; N40-K50 WeakPolarHBondContact OD1-CA 3.33Å
51V70.3Confident68.5Low95 Ų95123.6 Ų123.658%0.57663%0.625SS**  trans-90106.6170.7177.30000107.6N40 L43N40-V51 PolarHBondContact ND2-O 2.68Å; N40-V51 PolarHBondContact OD1-N 3.1Å; N40-V51 PolarHBondContact OD1-O 3.27Å; L43-V51 HydrophobicContact CD1-CB 4.44Å; L43-V51 HydrophobicContact CD1-CG2 3.8Å
52E70.1Confident66.2Low121 Ų121122.1 Ų122.157%0.56564%0.638SS**  trans-86.3130.6173.4-63.2-167.9-177.300110.1E36 R54 D55E36-E52 WeakPolarHBondContact OE1-CA 3.49Å; E52-R54 PolarHBondContact O-N 3.37Å; E52-D55 PolarHBondContact O-N 3.35Å
53L58.5Low63.4Low67 Ų67126.8 Ų126.835%0.35166%0.657SS.*THydrogen-bonded Turntrans-7729.1-173.4-138.4164.3000112.9K32 E36K32-L53 HydrophobicContact CD-CD1 4.47Å; K32-L53 HydrophobicContact CG-CD1 4.01Å; E36-L53 WeakPolarHBondContact OE1-CB 2.98Å; E36-L53 PolarHBondContact OE1-N 2.82Å
54R58Low61Low170 Ų170132.3 Ų132.364%0.64268%0.683SS**THydrogen-bonded Turntrans-113.5-28.2173.8-64.2-80.462.2-165.7-10.5112.5E52 A56 D57E52-R54 PolarHBondContact O-N 3.37Å; R54-A56 VanDerWaalsContact C-N 3.3Å; R54-D57 IonicContact CZ-OD2 3.71Å; R54-D57 IonicContact NH2-OD2 2.65Å; R54-D57 PolarHBondContact NH2-OD2 2.91Å
55D50.4Low58.4Low117 Ų117136 Ų13663%0.62670%0.699SS**G310 helixtrans-78.1-17.3173.4-67.3-37000112.8E52 D57 N58E52-D55 PolarHBondContact O-N 3.35Å; D55-D57 PolarHBondContact O-N 3.32Å; D55-N58 PolarHBondContact O-N 3.13Å; D55-N58 VanDerWaalsContact O-N 3.08Å
56A53.8Low56.2Low67 Ų67133.4 Ų133.455%0.55470%0.696SS**G310 helixtrans-61.1-25.1177.100000113.8R54 N58R54-A56 VanDerWaalsContact C-N 3.3Å; A56-N58 VanDerWaalsContact C-N 3.33Å
57D47.3Very low54Low119 Ų119134.1 Ų134.164%0.63671%0.706SS**G310 helixtrans-85.5-3.3178.6-60.8-54.2000113R54 D55R54-D57 IonicContact CZ-OD2 3.71Å; R54-D57 IonicContact NH2-OD2 2.65Å; R54-D57 PolarHBondContact NH2-OD2 2.91Å; D55-D57 PolarHBondContact O-N 3.32Å
58N43.1Very low51.9Low140 Ų140138.7 Ų138.775%0.74971%0.712SS**G310 helixtrans-124.927-174.3-158.812.6000113.2D55 A56D55-N58 PolarHBondContact O-N 3.13Å; D55-N58 VanDerWaalsContact O-N 3.08Å; A56-N58 VanDerWaalsContact C-N 3.33Å
59L45.4Very low49.7Very low151 Ų151135.7 Ų135.779%0.79172%0.715SS**  trans-12166.6172.1-147.976.4000110.6
60E34.5Very low47.5Very low182 Ų182135.9 Ų135.985%0.8572%0.72SS**  trans-57.8143.8171.3-172.3169.4-159.800110.6G62E60-G62 PolarHBondContact O-N 2.78Å
61I46.8Very low45.4Very low172 Ų172137.1 Ų137.188%0.88273%0.733SS**SBendtrans-70.293.4-175.5-72.765.3000108.3
62G45.2Very low43.6Very low71 Ų71141.7 Ų141.773%0.73275%0.745SS**  trans-125.3-47.4-167.200000116.6E60E60-G62 PolarHBondContact O-N 2.78Å
63E34.3Very low41.9Very low190 Ų190143.1 Ų143.189%0.88875%0.751SS**  trans-154.8154.4-174.7-131.8174.8-17400114
64M40.9Very low40.7Very low158 Ų158146.3 Ų146.378%0.77877%0.769SS**  trans-125.594.9177.2-178.7176.663.600110.6Q66M64-Q66 PolarHBondContact O-N 3.39Å
65P38.2Very low39.3Very low122 Ų122144 Ų14479%0.79278%0.779SS**  trans-61.4122.2173.9-23.835.2000111.4
66Q37.8Very low38.6Very low167 Ų167145.8 Ų145.878%0.7879%0.788SS**  trans-76.6160.6-179.3-63.5179.61.100111.9M64 I68M64-Q66 PolarHBondContact O-N 3.39Å; Q66-I68 PolarHBondContact O-N 2.06Å
67H36.2Very low37.7Very low201 Ų201148.8 Ų148.893%0.93180%0.801SS**  trans-39.2126.6178.9-69.9-93.9000114.9
68I33.6Very low36.8Very low167 Ų167151.1 Ų151.186%0.85681%0.806SS**  trans-111.3131.1155.1-61.8-177.9000108.3Q66Q66-I68 PolarHBondContact O-N 2.06Å
69S35.4Very low36.3Very low97 Ų97150.6 Ų150.668%0.67880%0.802SS**  trans-89.6152.3-174.855.80000112.3L71S69-L71 PolarHBondContact O-N 3.24Å
70V36.8Very low35.5Very low152 Ų152149.6 Ų149.692%0.92180%0.804SS**SBendtrans-75.591.8173.3-179.20000109.7
71L36.2Very low35.3Very low154 Ų154144.4 Ų144.481%0.80680%0.799SS**  trans-155.6142.5163.8-104.8174.6000110.2S69S69-L71 PolarHBondContact O-N 3.24Å
72K34.1Very low34.4Very low190 Ų190141.8 Ų141.883%0.82680%0.796SS**  trans68.9105.9179-138.8168.3-173.9177.30113.3
73E32.8Very low33.7Very low152 Ų152144.4 Ų144.471%0.7180%0.798SS**  78.2116.958.4-166.4-162.5138.200113.8
74N34Very low33.4Very low133 Ų133143.1 Ų143.171%0.71179%0.792SS**  trans55.785.4156.7-63.2-24.3000119.7
75S28.1Very low32.8Very low123 Ų123141.1 Ų141.186%0.8679%0.794SS**  trans-158.7144.9136.5-17.20000112.3
76L36.2Very low32.3Very low154 Ų154139.5 Ų139.581%0.80679%0.786SS**  trans-90.7155.3159.3-88.8160.8000109.1
77P35Very low31.8Very low130 Ų130140.5 Ų140.584%0.84479%0.79SS**  -135.4168108.631.6-17.6000113.7
78K28.9Very low31.5Very low167 Ų167134.6 Ų134.673%0.72678%0.784SS**  trans-140.7110.5-169.6176.777.1170.8173.80110.6
79I31.4Very low31.3Very low130 Ų130132.7 Ų132.767%0.66779%0.785SS**  trans60.8129.4160.2-58.4172.4000117
80P30.1Very low32.4Very low129 Ų129133 Ų13384%0.83879%0.785SS**  trans-76.6124.9160.432.4-31.6000110.5
81G30.1Very low32Very low73 Ų73132.1 Ų132.175%0.75378%0.775SS**  trans-108.5148.8170.500000111.4
82S28.1Very low31.9Very low117 Ų117134.7 Ų134.782%0.81877%0.774SS**  trans-77.5162.1179.853.50000113.5
83T29.8Very low31.7Very low126 Ų126129.4 Ų129.477%0.77377%0.766SS**  trans-34.4148.8158.1-10.20000112
84E28.3Very low31.5Very low163 Ų163129.3 Ų129.376%0.76277%0.77SS**  cis-169.6161.839.858.3-161.379.100114.6
85S27.5Very low31.2Very low116 Ų116127.2 Ų127.281%0.81177%0.766SS**  trans64.3156.8162.578.10000119
86S28.3Very low31.4Very low89 Ų89126 Ų12662%0.62276%0.758SS**  cis-154.4162.2-36.1-159.10000109.7
87E27.8Very low31.3Very low187 Ų187126.5 Ų126.587%0.87476%0.76SS**  trans41.8141.9158-70.4148.7107.900122.2
88G28.2Very low31Very low77 Ų77126.1 Ų126.179%0.79476%0.761SS**  trans-165.2-63179.100000118.6
89S29.6Very low31Very low127 Ų127126.1 Ų126.189%0.88877%0.768SS**  trans68.1167.4179.9-98.50000118.1
90P59.7Low32.2Very low105 Ų105124.6 Ų124.668%0.68277%0.766SS**  trans-100.6-173.5-156.742.1-37.4000114
91D27.8Very low32.1Very low132 Ų132125.8 Ų125.871%0.70677%0.765SS**  174.3166.769.9-129.2-13.8000108.1
92R34.2Very low32.1Very low209 Ų209127.7 Ų127.779%0.78977%0.768SS**  cis-169.1157.8-1.9-159.6167170.4-169-1.2110.8
93A29.6Very low32.4Very low79 Ų79133 Ų13365%0.65377%0.77SS**  trans63.8157.4155.100000118.5
94N29.3Very low32.7Very low149 Ų149134.6 Ų134.680%0.79777%0.773SS**  cis-168.2167.9-9.5-100.85000106.7
95S27.4Very low32.7Very low89 Ų89130.1 Ų130.162%0.62277%0.771SS**  cis-167.3173-13.4-97.30000110.3
96S31.2Very low33Very low99 Ų99131.8 Ų131.869%0.69278%0.776SS**  trans18110.1154.958.50000119.8
97L35.5Very low33Very low164 Ų164132 Ų13286%0.85978%0.783SS**  71.6118.584.5-74.3164.6000116.7
98S27.2Very low33Very low121 Ų121130.9 Ų130.985%0.84678%0.778SS**  178.5167.4121.3-79.70000114.6
99L29.3Very low33.7Very low167 Ų167132.7 Ų132.787%0.87478%0.775SS**  trans-121.8-166.5-169.4-77.3163.6000110.4
100P56.7Low33.6Very low98 Ų98131.2 Ų131.264%0.63677%0.765SS**  -136.4-161.3-56.839.9-22.5000114.3
101N27.5Very low32.1Very low154 Ų154131.8 Ų131.882%0.82477%0.771SS**  trans77.7159166.4-56.7-9.3000116.5
102S30.2Very low32.4Very low114 Ų114131.8 Ų131.880%0.79778%0.776SS**  cis-153.7-166.67.1-149.30000109.3
103R35.6Very low32.6Very low229 Ų229127 Ų12786%0.86477%0.773SS**  cis-159.9164.65.2169.2168.5164.6152.1-2.5111
104N35.3Very low32.4Very low159 Ų159128.8 Ų128.885%0.8578%0.78SS**  trans-73.5164.1-177.6-42.4-9.2000119.6
105G29.7Very low32.5Very low68 Ų68128.2 Ų128.270%0.70178%0.782SS**  trans152.2126.2152.700000112.9
106V32.2Very low32.6Very low152 Ų152129.4 Ų129.492%0.92179%0.791SS**  cis75.7122.842.8178.60000113.1
107A28.5Very low32.8Very low93 Ų93130.9 Ų130.977%0.76980%0.795SS**  cis-164.5-180-12.900000112.3
108E29Very low33.1Very low164 Ų164128.4 Ų128.477%0.76679%0.789SS**  trans-34.9166.6170.1-85.4-78.3112.800118.8
109P43Very low33Very low114 Ų114127.8 Ų127.874%0.7479%0.785SS**  cis-144.5167.624.841.3-20.6000121.9
110S27.5Very low33.1Very low96 Ų96125.1 Ų125.167%0.67178%0.776SS**  trans-4.5137153.1-172.90000123.4
111S27.7Very low31.9Very low117 Ų117128.2 Ų128.282%0.81878%0.779SS**  176.5166.3116.142.90000115.1
112T33Very low32Very low132 Ų132126.9 Ų126.981%0.8177%0.768SS**  trans-102.3-175.9-178.458.10000111
113P38.8Very low32.3Very low110 Ų110130.1 Ų130.171%0.71477%0.77SS**  cis-146.5-161.611.940.2-15.5000117.2
114S26.4Very low32.2Very low115 Ų115122.3 Ų122.380%0.80476%0.76SS**  trans96.4116.3146.7-66.30000123.2
115T30.4Very low32.1Very low138 Ų138122.2 Ų122.285%0.84776%0.76SS**  trans-45.5140.5164.3-49.70000118.8
116S30Very low32.5Very low114 Ų114126.8 Ų126.880%0.79777%0.765SS**  trans-161.6144.2138.159.80000114.2
117T34.5Very low32.7Very low129 Ų129125.2 Ų125.279%0.79176%0.758SS**  trans-114-163.916556.60000107.3
118P42Very low32.9Very low112 Ų112128.4 Ų128.473%0.72776%0.76SS**  cis-138.2173.7-6.842.9-25.8000116.4
119S25.5Very low33.4Very low108 Ų108126.5 Ų126.576%0.75576%0.76SS**  trans172.2153.3142.8-870000111.1
120T31.1Very low32.9Very low111 Ų111125.7 Ų125.768%0.68175%0.753SS**  cis-166.1141-27.224.10000108.2
121K32.9Very low33.5Very low164 Ų164126 Ų12671%0.71375%0.753SS**  trans63.2162.9154.3-67.5168.9152.4-76.80118.2
122E29.7Very low33.6Very low126 Ų126127.8 Ų127.859%0.58975%0.749SS**  cis-173.2145.6-37.866.3-152.4148.900106.8
123H36Very low33.9Very low182 Ų182128.4 Ų128.484%0.84375%0.746SS**  cis-143.1171.5-13.4-81.5-54.2000106.5
124G33.7Very low33.9Very low64 Ų64127.5 Ų127.566%0.6674%0.741SS**  cis124.8102.8400000112.4
125N32Very low34.4Very low157 Ų157127.5 Ų127.584%0.8474%0.738SS**  trans-152.8156.2170.3-109-58.5000112.3
126M38.9Very low34.6Very low165 Ų165126.4 Ų126.481%0.81373%0.733SS**PPolyproline II helixtrans-83.4154.7-159.9-86.672.173.700117.4
127P35.9Very low34.7Very low118 Ų118128.4 Ų128.477%0.76673%0.734SS**PPolyproline II helixtrans-100.4167.9137.436-31000112.7
128I33.8Very low34.8Very low160 Ų160129 Ų12982%0.82173%0.731SS**PPolyproline II helixtrans-75.2136.7-163.3-67.5160.4000113.9V130I128-V130 PolarHBondContact O-N 3.36Å
129V39.3Very low34Very low125 Ų125131.5 Ų131.576%0.75873%0.73SS**  trans-72.1109166.11780000109.7P131V129-P131 WeakPolarHBondContact O-CD 3.49Å
130V32.5Very low34.4Very low97 Ų97131.1 Ų131.159%0.58873%0.726SS**  trans-82.4124.2157177.10000107.5I128 M132I128-V130 PolarHBondContact O-N 3.36Å; V130-M132 HydrophobicContact CG1-CE 3.8Å; V130-M132 PolarHBondContact O-N 3.37Å
131P39.7Very low34.5Very low103 Ų103130 Ų13067%0.66972%0.72SS**  trans-67.685.2169.6-19.433.7000110.1V129 I133V129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-I133 PolarHBondContact O-N 3.24Å
132M29.8Very low34.7Very low153 Ų153127 Ų12775%0.75473%0.725SS**  trans-66.182.2160.2-77.1-72101.900107.9V130 P134V130-M132 HydrophobicContact CG1-CE 3.8Å; V130-M132 PolarHBondContact O-N 3.37Å; M132-P134 WeakPolarHBondContact O-CD 3.36Å; M132-P134 VanDerWaalsContact O-N 3.08Å
133I38.5Very low35.3Very low145 Ų145126 Ų12674%0.74472%0.724SS**  trans-49.5114.8158.6-62.8172.1000105.1P131P131-I133 PolarHBondContact O-N 3.24Å
134P39.5Very low35.9Very low92 Ų92126.1 Ų126.160%0.59773%0.725SS**  trans-55.6135.9176.1-23.734.4000108M132M132-P134 WeakPolarHBondContact O-CD 3.36Å; M132-P134 VanDerWaalsContact O-N 3.08Å
135P37.3Very low36.6Very low115 Ų115129.3 Ų129.375%0.74773%0.727SS**SBendtrans-48.1124.8169.9-22.531.8000106.5L137P135-L137 VanDerWaalsContact C-N 3.32Å; P135-L137 PolarHBondContact O-N 2.84Å
136P33Very low37.6Very low115 Ų115126 Ų12675%0.74771%0.713SS**  trans-58.3100.3-156.419.1-32.6000109.2I138P136-I138 PolarHBondContact O-N 3.01Å
137L33.6Very low38.5Very low155 Ų155123.8 Ų123.881%0.81270%0.704SS**  trans-75.180.6174.6-158.377.9000104P135 K139P135-L137 VanDerWaalsContact C-N 3.32Å; P135-L137 PolarHBondContact O-N 2.84Å; L137-K139 PolarHBondContact O-N 2.89Å
138I36.2Very low39.9Very low143 Ų143123.9 Ų123.973%0.73370%0.698SS**  trans-6075.2148-52.5176000104.1P136 P140P136-I138 PolarHBondContact O-N 3.01Å; I138-P140 VanDerWaalsContact C-N 3.33Å; I138-P140 VanDerWaalsContact O-CD 3.27Å; I138-P140 WeakPolarHBondContact O-CD 3.38Å
139K25.4Very low42.1Very low163 Ų163119.9 Ų119.971%0.70968%0.681SS**  trans-42.9108.9148.8-178.4174.5-174.4176.40102.5L137 P141L137-K139 PolarHBondContact O-N 2.89Å; K139-P141 VanDerWaalsContact O-N 3.09Å
140P33.2Very low44.5Very low101 Ų101120.9 Ų120.966%0.65668%0.677SS**  trans-52.7128.6174.223.7-31.9000104.6I138 A142I138-P140 VanDerWaalsContact C-N 3.33Å; I138-P140 VanDerWaalsContact O-CD 3.27Å; I138-P140 WeakPolarHBondContact O-CD 3.38Å; P140-A142 PolarHBondContact O-N 3.23Å; P140-A142 VanDerWaalsContact O-N 3.17Å
141P34.2Very low47.4Very low86 Ų86117.3 Ų117.356%0.55866%0.655SS**  trans-50.7132.9175.720.9-31.1000106.7K139 D143K139-P141 VanDerWaalsContact O-N 3.09Å; P141-D143 HydrophobicContact CB-CB 4.37Å; P141-D143 WeakPolarHBondContact CB-OD2 3.39Å; P141-D143 PolarHBondContact O-N 3.11Å
142A36.8Very low50Low101 Ų101118.1 Ų118.184%0.83565%0.651SS**SBendtrans-71.214.8-177.500000112.4P140 E144P140-A142 PolarHBondContact O-N 3.23Å; P140-A142 VanDerWaalsContact O-N 3.17Å; A142-E144 VanDerWaalsContact C-N 3.33Å; A142-E144 PolarHBondContact O-N 3.36Å; A142-E144 VanDerWaalsContact O-N 3.16Å
143D42.9Very low53.2Low106 Ų106110.9 Ų110.957%0.56762%0.615SS**  trans-77.480.6166.2-48.4-47.3000107.9P141 D145 T146P141-D143 HydrophobicContact CB-CB 4.37Å; P141-D143 WeakPolarHBondContact CB-OD2 3.39Å; P141-D143 PolarHBondContact O-N 3.11Å; D143-D145 CarbonylContact O-C 3.48Å; D143-D145 PolarHBondContact O-N 2.73Å; D143-D145 VanDerWaalsContact O-N 3.15Å; D143-T146 PolarHBondContact O-N 2.79Å
144E47.6Very low55.8Low185 Ų185106.4 Ų106.486%0.86460%0.6SS**  trans-57.9-14.6161.4-95.3-80.299.200111.3A142 T146A142-E144 VanDerWaalsContact C-N 3.33Å; A142-E144 PolarHBondContact O-N 3.36Å; A142-E144 VanDerWaalsContact O-N 3.16Å; E144-T146 PolarHBondContact O-N 3.14Å
145D48.3Very low58.5Low130 Ų130107.7 Ų107.770%0.69559%0.593SS**  trans-63.855.5147.8-77.3-64.5000112.5D143 L147D143-D145 CarbonylContact O-C 3.48Å; D143-D145 PolarHBondContact O-N 2.73Å; D143-D145 VanDerWaalsContact O-N 3.15Å; D145-L147 PolarHBondContact O-N 3.24Å
146T53.6Low61.3Low88 Ų88103.8 Ų103.854%0.5457%0.568SS.*  trans-62.586142.2-68.50000105.4D143 E144 N148D143-T146 PolarHBondContact O-N 2.79Å; E144-T146 PolarHBondContact O-N 3.14Å; T146-N148 PolarHBondContact O-N 2.7Å
147L58.2Low64.3Low118 Ų118105.7 Ų105.762%0.61857%0.567SS**  trans-34.3137-174-68.5170.7000110.2D145 V149D145-L147 PolarHBondContact O-N 3.24Å; L147-V149 HydrophobicContact CB-CG2 3.71Å; L147-V149 WeakPolarHBondContact O-CG2 3.27Å; L147-V149 PolarHBondContact O-N 3.33Å
148N64.1Low67.2Low121 Ų121104.4 Ų104.465%0.64756%0.555SS**  trans-7140.7-179.6-78.5-11.6000112.8T146 Q150 V161T146-N148 PolarHBondContact O-N 2.7Å; N148-Q150 PolarHBondContact O-N 2.96Å; N148-Q150 VanDerWaalsContact O-N 3.12Å; N148-V161 HydrophobicContact CB-CG1 3.97Å; N148-V161 HydrophobicContact CB-CG2 4.1Å
149V80.3Confident69.9Low75 Ų75101.9 Ų101.946%0.45555%0.546SS..  trans-47.7117.2-176.9-176.40000109L147 I151 K162L147-V149 HydrophobicContact CB-CG2 3.71Å; L147-V149 WeakPolarHBondContact O-CG2 3.27Å; L147-V149 PolarHBondContact O-N 3.33Å; V149-I151 VanDerWaalsContact C-N 3.34Å; V149-I151 HydrophobicContact CG1-CG2 4.05Å; V149-I151 PolarHBondContact O-N 3.31Å; V149-K162 HydrophobicContact CB-CB 4.47Å; V149-K162 PolarHBondContact O-N 2.89Å
150Q89.9Confident73.1Confident147 Ų14794.9 Ų94.969%0.68752%0.519SS*.EExtended strand (participates in β ladder)trans-79.287.4-177.2-171.3143.554.700108.9N148 V159 G160N148-Q150 PolarHBondContact O-N 2.96Å; N148-Q150 VanDerWaalsContact O-N 3.12Å; Q150-V159 HydrophobicContact CG-CG1 3.21Å; Q150-G160 CarbonylContact C-O 3.55Å; Q150-G160 WeakPolarHBondContact CA-O 3.21Å
151I93.1Very high75.9Confident22 Ų2292 Ų9211%0.11350%0.5CS..EExtended strand (participates in β ladder)trans-84154.7-178.254.5161.2000111.7V149 C153 V159 G160 K162 S174V149-I151 VanDerWaalsContact C-N 3.34Å; V149-I151 HydrophobicContact CG1-CG2 4.05Å; V149-I151 PolarHBondContact O-N 3.31Å; I151-C153 PolarHBondContact O-N 3.32Å; I151-V159 CarbonylContact O-C 3.2Å; I151-V159 VanDerWaalsContact O-CA 3.32Å; I151-V159 WeakPolarHBondContact O-CA 3.3Å; I151-G160 WeakPolarHBondContact CG1-O 3.2Å; I151-G160 PolarHBondContact N-O 3.31Å; I151-G160 PolarHBondContact O-N 3.48Å; I151-K162 HydrophobicContact CD1-CB 4.04Å; I151-K162 HydrophobicContact CD1-CG 4.33Å; I151-K162 HydrophobicContact CG1-CB 4.15Å; I151-K162 HydrophobicContact CG2-CB 3.93Å; I151-K162 HydrophobicContact CG2-CG 4.4Å; I151-S174 VanDerWaalsContact CD1-C 3.48Å
152M95.3Very high78.7Confident120 Ų12091 Ų9159%0.59149%0.487SS*.EExtended strand (participates in β ladder)trans-76.3114.6153-69.8-63.5-77.800108.6A154 Q157 V159M152-A154 PolarHBondContact O-N 3.49Å; M152-Q157 VanDerWaalsContact CE-O 3.22Å; M152-Q157 WeakPolarHBondContact CE-O 3.15Å; M152-V159 HydrophobicContact SD-CB 4.48Å; M152-V159 HydrophobicContact SD-CG2 3.52Å; M152-V159 VanDerWaalsContact SD-CG2 3.52Å
153C95.4Very high81.3Confident1 Ų193.9 Ų93.91%0.00748%0.476CS..  trans-68117.5179.6173.70000111.2I151 W155 C156 Q157 K158 C176I151-C153 PolarHBondContact O-N 3.32Å; C153-W155 PolarHBondContact O-N 3.06Å; C153-C156 PolarHBondContact O-N 2.9Å; C153-C156 VanDerWaalsContact SG-SG 3.67Å; C153-Q157 VanDerWaalsContact O-CA 3.27Å; C153-Q157 WeakPolarHBondContact O-CA 3.49Å; C153-Q157 PolarHBondContact O-N 3.28Å; C153-K158 WeakPolarHBondContact CB-O 3.31Å; C153-K158 PolarHBondContact N-O 3.37Å; C153-C176 HydrophobicContact CB-CB 4.03Å; C153-C176 VanDerWaalsContact SG-SG 3.67Å
154A94.9Very high83.7Confident50 Ų5092.9 Ų92.941%0.41347%0.465SS..THydrogen-bonded Turntrans-63.2-7.2-174.700000115.9M152 K173 S174 F175M152-A154 PolarHBondContact O-N 3.49Å; A154-K173 HydrophobicContact CB-CB 3.85Å; A154-K173 HydrophobicContact CB-CD 4.34Å; A154-K173 HydrophobicContact CB-CG 4.47Å; A154-S174 PolarHBondContact N-O 2.79Å; A154-F175 HydrophobicContact CB-CD1 4.46Å; A154-F175 HydrophobicContact CB-CE1 3.96Å; A154-F175 HydrophobicContact CB-CZ 4.37Å
155W95.6Very high85.9Confident120 Ų12086.5 Ų86.546%0.45544%0.441SS..THydrogen-bonded Turntrans-102.1-57.5172.4-178.7-100.1000112.5C153 F175 C180 A183 C184 A187C153-W155 PolarHBondContact O-N 3.06Å; W155-F175 HydrophobicContact CB-CD1 3.93Å; W155-F175 HydrophobicContact CB-CE1 4.07Å; W155-C180 HydrophobicContact CB-CB 3.82Å; W155-C180 HydrophobicContact CG-CB 4.2Å; W155-A183 HydrophobicContact CD2-CB 3.94Å; W155-A183 VanDerWaalsContact CE2-CB 3.43Å; W155-A183 HydrophobicContact CE3-CB 4.5Å; W155-A183 HydrophobicContact CG-CB 4.43Å; W155-A183 HydrophobicContact CH2-CB 4.2Å; W155-A183 HydrophobicContact CZ2-CB 3.6Å; W155-C184 HydrophobicContact CD2-CB 4.41Å; W155-C184 HydrophobicContact CE3-CB 3.76Å; W155-C184 HydrophobicContact CZ3-CB 4.44Å; W155-A187 HydrophobicContact CH2-CB 4.03Å; W155-A187 HydrophobicContact CZ3-CB 3.78Å
156C95.8Very high88Confident33 Ų3381.7 Ų81.722%0.22342%0.415CS..THydrogen-bonded Turntrans-97.73.8-171.674.50000114.6C153 K158 C176C153-C156 PolarHBondContact O-N 2.9Å; C153-C156 VanDerWaalsContact SG-SG 3.67Å; C156-K158 PolarHBondContact O-N 2.9Å; C156-K158 PolarHBondContact O-NZ 3.01Å; C156-C176 VanDerWaalsContact SG-SG 3.68Å
157Q95.8Very high89.7Confident155 Ų15581.5 Ų81.572%0.72442%0.417SS*.  trans50.717.3179.4-58.7-168.65300115.8M152 C153M152-Q157 VanDerWaalsContact CE-O 3.22Å; M152-Q157 WeakPolarHBondContact CE-O 3.15Å; C153-Q157 VanDerWaalsContact O-CA 3.27Å; C153-Q157 WeakPolarHBondContact O-CA 3.49Å; C153-Q157 PolarHBondContact O-N 3.28Å
158K94.3Very high91.1Very high128 Ų12877.9 Ų77.956%0.55740%0.397SS*.  trans-89.8140.1172.8-85165.5-75-59.10110.4C153 C156C153-K158 WeakPolarHBondContact CB-O 3.31Å; C153-K158 PolarHBondContact N-O 3.37Å; C156-K158 PolarHBondContact O-N 2.9Å; C156-K158 PolarHBondContact O-NZ 3.01Å
159V94.3Very high92.2Very high90 Ų9075.2 Ų75.255%0.54540%0.399SS..EExtended strand (participates in β ladder)trans-55.2132.7162.3-178.50000108.9Q150 I151 M152Q150-V159 HydrophobicContact CG-CG1 3.21Å; I151-V159 CarbonylContact O-C 3.2Å; I151-V159 VanDerWaalsContact O-CA 3.32Å; I151-V159 WeakPolarHBondContact O-CA 3.3Å; M152-V159 HydrophobicContact SD-CB 4.48Å; M152-V159 HydrophobicContact SD-CG2 3.52Å; M152-V159 VanDerWaalsContact SD-CG2 3.52Å
160G91.8Very high92.5Very high15 Ų1577.7 Ų77.716%0.15542%0.42CS..EExtended strand (participates in β ladder)trans-176.9168.8176.900000113.1Q150 I151Q150-G160 CarbonylContact C-O 3.55Å; Q150-G160 WeakPolarHBondContact CA-O 3.21Å; I151-G160 WeakPolarHBondContact CG1-O 3.2Å; I151-G160 PolarHBondContact N-O 3.31Å; I151-G160 PolarHBondContact O-N 3.48Å
161V92.3Very high92.4Very high41 Ų4175.8 Ų75.825%0.24841%0.41CS..EExtended strand (participates in β ladder)trans-65.4132.5178.9174.20000110.8N148 R163 C176N148-V161 HydrophobicContact CB-CG1 3.97Å; N148-V161 HydrophobicContact CB-CG2 4.1Å; V161-R163 HydrophobicContact CG1-CG 4.49Å; V161-R163 PolarHBondContact O-N 3.46Å; V161-C176 WeakPolarHBondContact O-CA 3.32Å
162K93Very high92.3Very high65 Ų6579.6 Ų79.628%0.28343%0.431SS..  trans-60.6115.3171.7-175.4-176.3177.5-165.60109.9V149 I151V149-K162 HydrophobicContact CB-CB 4.47Å; V149-K162 PolarHBondContact O-N 2.89Å; I151-K162 HydrophobicContact CD1-CB 4.04Å; I151-K162 HydrophobicContact CD1-CG 4.33Å; I151-K162 HydrophobicContact CG1-CB 4.15Å; I151-K162 HydrophobicContact CG2-CB 3.93Å; I151-K162 HydrophobicContact CG2-CG 4.4Å
163R90.6Very high92.2Very high162 Ų16277 Ų7761%0.61142%0.416SS*.  trans-117.7-24.1178.2-69.8-81.5177.574.9-4.8113.1V161 F175V161-R163 HydrophobicContact CG1-CG 4.49Å; V161-R163 PolarHBondContact O-N 3.46Å; R163-F175 PolarHBondContact N-O 3.42Å
164Y93Very high92.2Very high85 Ų8578 Ų7833%0.33342%0.423SS..EExtended strand (participates in β ladder)trans-147.3154.8-179.7-51.7-88.6000110F175 S177 E178 F181Y164-F175 PolarHBondContact N-O 2.79Å; Y164-F175 VanDerWaalsContact N-O 3.16Å; Y164-F175 PolarHBondContact O-N 3.3Å; Y164-S177 VanDerWaalsContact CD2-C 3.42Å; Y164-S177 VanDerWaalsContact CE2-C 3.41Å; Y164-E178 HydrophobicContact CE1-CB 4.29Å; Y164-E178 HydrophobicContact CE1-CG 4.34Å; Y164-E178 HydrophobicContact CE2-CB 3.88Å; Y164-F181 HydrophobicContact CD1-CD1 4.3Å; Y164-F181 HydrophobicContact CD1-CG 4.48Å; Y164-F181 HydrophobicContact CD2-CB 4.43Å; Y164-F181 HydrophobicContact CG-CB 4.06Å; Y164-F181 HydrophobicContact CG-CD1 4.45Å; Y164-F181 HydrophobicContact CG-CG 4.2Å
165S93.9Very high92.3Very high51 Ų5175.7 Ų75.736%0.35740%0.404SS..EExtended strand (participates in β ladder)trans-140.7150.7169.846.30000111.9K173 F181S165-K173 CarbonylContact C-O 3.57Å; S165-K173 WeakPolarHBondContact CA-O 3.4Å; S165-K173 WeakPolarHBondContact CB-O 3.1Å; S165-F181 WeakPolarHBondContact O-CE2 3.46Å
166L91.9Very high92.3Very high28 Ų2871.3 Ų71.315%0.14739%0.391CS..EExtended strand (participates in β ladder)trans-134.1123-178.1-174.867.3000109.4M168 K173 F175 F181 R185L166-M168 HydrophobicContact CD2-CG 4.25Å; L166-M168 HydrophobicContact CD2-SD 3.55Å; L166-M168 VanDerWaalsContact CD2-SD 3.55Å; L166-M168 HydrophobicContact CG-CG 4.25Å; L166-M168 HydrophobicContact CG-SD 4.06Å; L166-M168 PolarHBondContact O-N 2.98Å; L166-K173 PolarHBondContact N-O 3.48Å; L166-K173 PolarHBondContact O-N 3.19Å; L166-F175 HydrophobicContact CB-CE2 3.6Å; L166-F175 HydrophobicContact CB-CZ 4.17Å; L166-F181 HydrophobicContact CB-CD2 4.16Å; L166-F181 HydrophobicContact CB-CE2 3.91Å; L166-F181 HydrophobicContact CD1-CE2 3.99Å; L166-F181 HydrophobicContact CG-CE2 4.47Å; L166-R185 HydrophobicContact CD1-CG 3.76Å; L166-R185 HydrophobicContact CD2-CG 3.56Å; L166-R185 HydrophobicContact CG-CG 4.3Å
167S91.1Very high92.2Very high85 Ų8571.5 Ų71.559%0.59439%0.393SS*.EExtended strand (participates in β ladder)trans-74.2123171.3-49.40000109.8
168M87.8Confident92.2Very high41 Ų4167.5 Ų67.520%0.20237%0.374CS..EExtended strand (participates in β ladder)trans-117.655.9-173.7-68.2-78.1-70.400109.3L166 E171 K173 Y188L166-M168 HydrophobicContact CD2-CG 4.25Å; L166-M168 HydrophobicContact CD2-SD 3.55Å; L166-M168 VanDerWaalsContact CD2-SD 3.55Å; L166-M168 HydrophobicContact CG-CG 4.25Å; L166-M168 HydrophobicContact CG-SD 4.06Å; L166-M168 PolarHBondContact O-N 2.98Å; M168-E171 PolarHBondContact N-O 3.46Å; M168-K173 HydrophobicContact CB-CD 4.34Å; M168-K173 HydrophobicContact CB-CG 4.31Å; M168-K173 HydrophobicContact CG-CB 4.36Å; M168-K173 HydrophobicContact CG-CD 3.92Å; M168-K173 HydrophobicContact CG-CG 3.93Å; M168-Y188 HydrophobicContact CE-CD1 4.46Å; M168-Y188 HydrophobicContact CE-CD2 3.38Å; M168-Y188 HydrophobicContact CE-CE2 3.92Å; M168-Y188 HydrophobicContact CE-CG 3.7Å; M168-Y188 HydrophobicContact SD-CD1 3.86Å; M168-Y188 HydrophobicContact SD-CD2 3.85Å; M168-Y188 HydrophobicContact SD-CE1 4.21Å; M168-Y188 HydrophobicContact SD-CE2 4.21Å; M168-Y188 HydrophobicContact SD-CG 3.66Å
169G86.4Confident92.4Very high65 Ų6570 Ų7067%0.6739%0.385SS*.THydrogen-bonded Turntrans79.1-126-161.500000110E171G169-E171 VanDerWaalsContact C-N 3.32Å; G169-E171 PolarHBondContact O-N 2.91Å
170S86.3Confident92.5Very high128 Ų12866.2 Ų66.290%0.89536%0.362SS*.THydrogen-bonded Turntrans-72.7-17.9177.747.20000114.6
171E87.7Confident92.7Very high106 Ų10667.2 Ų67.250%0.49536%0.363SS..EExtended strand (participates in β ladder)trans-96.3124.1-176.9-67.4178.7-168.500112.5M168 G169 K173M168-E171 PolarHBondContact N-O 3.46Å; G169-E171 VanDerWaalsContact C-N 3.32Å; G169-E171 PolarHBondContact O-N 2.91Å; E171-K173 HydrophobicContact CB-CG 4.5Å; E171-K173 PolarHBondContact O-N 3.44Å; E171-K173 WeakPolarHBondContact OE2-CE 3.25Å; E171-K173 IonicContact OE2-NZ 2.64Å; E171-K173 PolarHBondContact OE2-NZ 3.22Å
172L90.8Very high92.9Very high103 Ų10366.4 Ų66.454%0.53936%0.36SS..EExtended strand (participates in β ladder)trans-88.4101.1169.7-173.870.5000110.6
173K93.8Very high93Very high66 Ų6664 Ų6429%0.28735%0.352SS..EExtended strand (participates in β ladder)trans-87.2137179.7-57.3-162.4-169.6-118.40110.5A154 S165 L166 M168 E171 F175A154-K173 HydrophobicContact CB-CB 3.85Å; A154-K173 HydrophobicContact CB-CD 4.34Å; A154-K173 HydrophobicContact CB-CG 4.47Å; S165-K173 CarbonylContact C-O 3.57Å; S165-K173 WeakPolarHBondContact CA-O 3.4Å; S165-K173 WeakPolarHBondContact CB-O 3.1Å; L166-K173 PolarHBondContact N-O 3.48Å; L166-K173 PolarHBondContact O-N 3.19Å; M168-K173 HydrophobicContact CB-CD 4.34Å; M168-K173 HydrophobicContact CB-CG 4.31Å; M168-K173 HydrophobicContact CG-CB 4.36Å; M168-K173 HydrophobicContact CG-CD 3.92Å; M168-K173 HydrophobicContact CG-CG 3.93Å; E171-K173 HydrophobicContact CB-CG 4.5Å; E171-K173 PolarHBondContact O-N 3.44Å; E171-K173 WeakPolarHBondContact OE2-CE 3.25Å; E171-K173 IonicContact OE2-NZ 2.64Å; E171-K173 PolarHBondContact OE2-NZ 3.22Å; K173-F175 HydrophobicContact CB-CE2 4.16Å; K173-F175 HydrophobicContact CB-CZ 3.84Å; K173-F175 WeakPolarHBondContact O-CE2 3.23Å
174S95.2Very high93.2Very high22 Ų2256.8 Ų56.815%0.15433%0.326CS..EExtended strand (participates in β ladder)trans-114.2147.9-175.2-63.20000112.5I151 A154I151-S174 VanDerWaalsContact CD1-C 3.48Å; A154-S174 PolarHBondContact N-O 2.79Å
175F96.7Very high93.3Very high0 Ų057.9 Ų57.90%033%0.33CS..EExtended strand (participates in β ladder)trans-137143-171.7-47.5-90.3000113.3A154 W155 R163 Y164 L166 K173 C180 F181 C184A154-F175 HydrophobicContact CB-CD1 4.46Å; A154-F175 HydrophobicContact CB-CE1 3.96Å; A154-F175 HydrophobicContact CB-CZ 4.37Å; W155-F175 HydrophobicContact CB-CD1 3.93Å; W155-F175 HydrophobicContact CB-CE1 4.07Å; R163-F175 PolarHBondContact N-O 3.42Å; Y164-F175 PolarHBondContact N-O 2.79Å; Y164-F175 VanDerWaalsContact N-O 3.16Å; Y164-F175 PolarHBondContact O-N 3.3Å; L166-F175 HydrophobicContact CB-CE2 3.6Å; L166-F175 HydrophobicContact CB-CZ 4.17Å; K173-F175 HydrophobicContact CB-CE2 4.16Å; K173-F175 HydrophobicContact CB-CZ 3.84Å; K173-F175 WeakPolarHBondContact O-CE2 3.23Å; F175-C180 HydrophobicContact CB-CB 4.1Å; F175-C180 HydrophobicContact CD1-CB 4.16Å; F175-F181 HydrophobicContact CB-CB 4.21Å; F175-F181 HydrophobicContact CD2-CB 4.12Å; F175-F181 AromaticContact CD2-CD2 3.88Å; F175-F181 HydrophobicContact CD2-CD2 3.88Å; F175-F181 HydrophobicContact CE2-CD2 4.06Å; F175-F181 HydrophobicContact CG-CB 4.13Å; F175-C184 HydrophobicContact CD1-CB 4.37Å; F175-C184 HydrophobicContact CE1-CB 3.46Å; F175-C184 VanDerWaalsContact CE1-CB 3.46Å; F175-C184 HydrophobicContact CZ-CB 3.74Å; F175-C184 VanDerWaalsContact CZ-SG 3.59Å
176C95.6Very high93.3Very high29 Ų2963.4 Ų63.420%0.19634%0.343CS..SBendtrans-83.4-10.5-178.564.70000114.6C153 C156 V161C153-C176 HydrophobicContact CB-CB 4.03Å; C153-C176 VanDerWaalsContact SG-SG 3.67Å; C156-C176 VanDerWaalsContact SG-SG 3.68Å; V161-C176 WeakPolarHBondContact O-CA 3.32Å
177S95Very high93.2Very high37 Ų3764.2 Ų64.226%0.25935%0.354SS..SBendtrans-159.4155.2-176.758.70000112Y164 K179 C180 F181Y164-S177 VanDerWaalsContact CD2-C 3.42Å; Y164-S177 VanDerWaalsContact CE2-C 3.41Å; S177-K179 PolarHBondContact O-N 3.27Å; S177-C180 WeakPolarHBondContact O-CB 3.49Å; S177-C180 PolarHBondContact O-N 2.98Å; S177-C180 PolarHBondContact OG-SG 3.46Å; S177-F181 PolarHBondContact O-N 3.39Å
178E96.1Very high93.1Very high70 Ų7063.4 Ų63.433%0.32734%0.338SS..Hα-helixtrans-62.1-35.5178.2-164.3-168.7144.100111.2Y164 C180 F181 A182 R831Y164-E178 HydrophobicContact CE1-CB 4.29Å; Y164-E178 HydrophobicContact CE1-CG 4.34Å; Y164-E178 HydrophobicContact CE2-CB 3.88Å; E178-C180 PolarHBondContact O-N 2.69Å; E178-F181 PolarHBondContact O-N 3.24Å; E178-A182 VanDerWaalsContact O-CB 3.25Å; E178-A182 WeakPolarHBondContact O-CB 3.2Å; E178-A182 PolarHBondContact O-N 3.31Å; E178-R831 IonicContact OE1-CZ 3.33Å; E178-R831 IonicContact OE1-NH1 3.81Å; E178-R831 PolarHBondContact OE1-NH1 3.31Å; E178-R831 IonicContact OE1-NH2 2.89Å; E178-R831 IonicContact OE2-CZ 2.69Å; E178-R831 IonicContact OE2-NH1 3.79Å; E178-R831 PolarHBondContact OE2-NH1 3.03Å; E178-R831 IonicContact OE2-NH2 2.78Å; E178-R831 PolarHBondContact OE2-NH2 3.08Å
179K96.5Very high92.9Very high180 Ų18067.4 Ų67.478%0.78336%0.355SS*.Hα-helixtrans-55.3-41.7174.1-65-177.1-180179.70111.4S177 A183S177-K179 PolarHBondContact O-N 3.27Å; K179-A183 WeakPolarHBondContact O-CB 3.25Å; K179-A183 PolarHBondContact O-N 3Å; K179-A183 VanDerWaalsContact O-N 3.14Å
180C96.4Very high92.8Very high11 Ų1170.8 Ų70.87%0.07435%0.351CS..Hα-helixtrans-71.7-45.6177-70.90000112.5W155 F175 S177 E178 A183 C184W155-C180 HydrophobicContact CB-CB 3.82Å; W155-C180 HydrophobicContact CG-CB 4.2Å; F175-C180 HydrophobicContact CB-CB 4.1Å; F175-C180 HydrophobicContact CD1-CB 4.16Å; S177-C180 WeakPolarHBondContact O-CB 3.49Å; S177-C180 PolarHBondContact O-N 2.98Å; S177-C180 PolarHBondContact OG-SG 3.46Å; E178-C180 PolarHBondContact O-N 2.69Å; C180-A183 PolarHBondContact O-N 3.25Å; C180-C184 WeakPolarHBondContact O-CB 3.36Å; C180-C184 PolarHBondContact O-N 2.91Å
181F96.8Very high92.4Very high37 Ų3774 Ų7416%0.16234%0.344CS..Hα-helixtrans-61-49.5177.3171.2-109.4000112.2Y164 S165 L166 F175 S177 E178 A183 C184 R185Y164-F181 HydrophobicContact CD1-CD1 4.3Å; Y164-F181 HydrophobicContact CD1-CG 4.48Å; Y164-F181 HydrophobicContact CD2-CB 4.43Å; Y164-F181 HydrophobicContact CG-CB 4.06Å; Y164-F181 HydrophobicContact CG-CD1 4.45Å; Y164-F181 HydrophobicContact CG-CG 4.2Å; S165-F181 WeakPolarHBondContact O-CE2 3.46Å; L166-F181 HydrophobicContact CB-CD2 4.16Å; L166-F181 HydrophobicContact CB-CE2 3.91Å; L166-F181 HydrophobicContact CD1-CE2 3.99Å; L166-F181 HydrophobicContact CG-CE2 4.47Å; F175-F181 HydrophobicContact CB-CB 4.21Å; F175-F181 HydrophobicContact CD2-CB 4.12Å; F175-F181 AromaticContact CD2-CD2 3.88Å; F175-F181 HydrophobicContact CD2-CD2 3.88Å; F175-F181 HydrophobicContact CE2-CD2 4.06Å; F175-F181 HydrophobicContact CG-CB 4.13Å; S177-F181 PolarHBondContact O-N 3.39Å; E178-F181 PolarHBondContact O-N 3.24Å; F181-A183 PolarHBondContact O-N 3.47Å; F181-C184 PolarHBondContact O-N 3.42Å; F181-R185 HydrophobicContact CE2-CG 4.41Å; F181-R185 HydrophobicContact CZ-CG 4.48Å; F181-R185 WeakPolarHBondContact O-CG 3.39Å; F181-R185 PolarHBondContact O-N 3.07Å
182A96.6Very high91.5Very high23 Ų2370.7 Ų70.719%0.1933%0.329CS..Hα-helixtrans-67-36179.700000112.7E178 R186E178-A182 VanDerWaalsContact O-CB 3.25Å; E178-A182 WeakPolarHBondContact O-CB 3.2Å; E178-A182 PolarHBondContact O-N 3.31Å; A182-R186 WeakPolarHBondContact O-CG 3.11Å; A182-R186 PolarHBondContact O-N 2.76Å
183A95.2Very high90.1Very high14 Ų1474.6 Ų74.612%0.11634%0.342CS..Hα-helixtrans-66-44.7173.300000111.7W155 K179 C180 F181 R186 A187W155-A183 HydrophobicContact CD2-CB 3.94Å; W155-A183 VanDerWaalsContact CE2-CB 3.43Å; W155-A183 HydrophobicContact CE3-CB 4.5Å; W155-A183 HydrophobicContact CG-CB 4.43Å; W155-A183 HydrophobicContact CH2-CB 4.2Å; W155-A183 HydrophobicContact CZ2-CB 3.6Å; K179-A183 WeakPolarHBondContact O-CB 3.25Å; K179-A183 PolarHBondContact O-N 3Å; K179-A183 VanDerWaalsContact O-N 3.14Å; C180-A183 PolarHBondContact O-N 3.25Å; F181-A183 PolarHBondContact O-N 3.47Å; A183-R186 PolarHBondContact O-N 2.74Å; A183-A187 WeakPolarHBondContact O-CB 3.43Å; A183-A187 PolarHBondContact O-N 3.02Å
184C94.4Very high87.9Confident11 Ų1177 Ų777%0.07436%0.362CS..Hα-helixtrans-61.8-44.7175.5-170.30000112.3W155 F175 C180 F181 R186 A187 Y188W155-C184 HydrophobicContact CD2-CB 4.41Å; W155-C184 HydrophobicContact CE3-CB 3.76Å; W155-C184 HydrophobicContact CZ3-CB 4.44Å; F175-C184 HydrophobicContact CD1-CB 4.37Å; F175-C184 HydrophobicContact CE1-CB 3.46Å; F175-C184 VanDerWaalsContact CE1-CB 3.46Å; F175-C184 HydrophobicContact CZ-CB 3.74Å; F175-C184 VanDerWaalsContact CZ-SG 3.59Å; C180-C184 WeakPolarHBondContact O-CB 3.36Å; C180-C184 PolarHBondContact O-N 2.91Å; F181-C184 PolarHBondContact O-N 3.42Å; C184-R186 PolarHBondContact O-N 3.04Å; C184-A187 PolarHBondContact O-N 3.44Å; C184-Y188 WeakPolarHBondContact O-CB 3.49Å; C184-Y188 PolarHBondContact O-N 3.32Å
185R94.7Very high85.9Confident108 Ų10884.1 Ų84.141%0.40839%0.386SS..Hα-helixtrans-56.5-48.7173.6-75-174.972.2-172.52.5112.1L166 F181 A187 Y188 F189L166-R185 HydrophobicContact CD1-CG 3.76Å; L166-R185 HydrophobicContact CD2-CG 3.56Å; L166-R185 HydrophobicContact CG-CG 4.3Å; F181-R185 HydrophobicContact CE2-CG 4.41Å; F181-R185 HydrophobicContact CZ-CG 4.48Å; F181-R185 WeakPolarHBondContact O-CG 3.39Å; F181-R185 PolarHBondContact O-N 3.07Å; R185-A187 PolarHBondContact O-N 3.48Å; R185-Y188 PolarHBondContact O-N 3.31Å; R185-F189 HydrophobicContact CB-CE2 4.47Å; R185-F189 WeakPolarHBondContact O-CD2 3.16Å; R185-F189 PolarHBondContact O-N 2.93Å
186R94Very high83.6Confident168 Ų16890.9 Ų90.963%0.63442%0.421SS*.Hα-helixtrans-61.4-43.2178.5-75-175.4-65.6-105.60.9112.3A182 A183 C184 F189 K190A182-R186 WeakPolarHBondContact O-CG 3.11Å; A182-R186 PolarHBondContact O-N 2.76Å; A183-R186 PolarHBondContact O-N 2.74Å; C184-R186 PolarHBondContact O-N 3.04Å; R186-F189 PolarHBondContact O-N 2.89Å; R186-K190 PolarHBondContact O-N 3.15Å
187A91.4Very high81.2Confident45 Ų4593.2 Ų93.237%0.37245%0.451SS..Hα-helixtrans-63.6-40.1176.300000112.3W155 A183 C184 R185 K190 R191W155-A187 HydrophobicContact CH2-CB 4.03Å; W155-A187 HydrophobicContact CZ3-CB 3.78Å; A183-A187 WeakPolarHBondContact O-CB 3.43Å; A183-A187 PolarHBondContact O-N 3.02Å; C184-A187 PolarHBondContact O-N 3.44Å; R185-A187 PolarHBondContact O-N 3.48Å; A187-K190 PolarHBondContact O-N 3.34Å; A187-R191 PolarHBondContact O-N 3.04Å
188Y87.2Confident78.6Confident67 Ų6794.3 Ų94.326%0.26347%0.468SS..Hα-helixtrans-64.5-44.5176.3-175.3-124.6000112.2M168 C184 R185 K190 R191 N192M168-Y188 HydrophobicContact CE-CD1 4.46Å; M168-Y188 HydrophobicContact CE-CD2 3.38Å; M168-Y188 HydrophobicContact CE-CE2 3.92Å; M168-Y188 HydrophobicContact CE-CG 3.7Å; M168-Y188 HydrophobicContact SD-CD1 3.86Å; M168-Y188 HydrophobicContact SD-CD2 3.85Å; M168-Y188 HydrophobicContact SD-CE1 4.21Å; M168-Y188 HydrophobicContact SD-CE2 4.21Å; M168-Y188 HydrophobicContact SD-CG 3.66Å; C184-Y188 WeakPolarHBondContact O-CB 3.49Å; C184-Y188 PolarHBondContact O-N 3.32Å; R185-Y188 PolarHBondContact O-N 3.31Å; Y188-K190 PolarHBondContact O-N 3.25Å; Y188-R191 PolarHBondContact O-N 3.03Å; Y188-N192 WeakPolarHBondContact CE2-OD1 3.38Å; Y188-N192 PolarHBondContact O-N 2.91Å; Y188-N192 PolarHBondContact OH-ND2 3.28Å
189F84.4Confident76.2Confident126 Ų12694.9 Ų94.955%0.55349%0.493SS*.Hα-helixtrans-62.5-40.1174-73.1-61.7000112.6R185 R186 R191 N192 K193R185-F189 HydrophobicContact CB-CE2 4.47Å; R185-F189 WeakPolarHBondContact O-CD2 3.16Å; R185-F189 PolarHBondContact O-N 2.93Å; R186-F189 PolarHBondContact O-N 2.89Å; F189-R191 VanDerWaalsContact C-N 3.32Å; F189-R191 PolarHBondContact O-N 3.39Å; F189-N192 PolarHBondContact O-N 3.45Å; F189-K193 WeakPolarHBondContact O-CB 3.36Å; F189-K193 PolarHBondContact O-N 3.05Å
190K85.4Confident73.5Confident136 Ų13694.3 Ų94.359%0.59150%0.497SS*.Hα-helixtrans-60.2-41.2173.2-169.5174179179.20111.1R186 A187 Y188 E246R186-K190 PolarHBondContact O-N 3.15Å; A187-K190 PolarHBondContact O-N 3.34Å; Y188-K190 PolarHBondContact O-N 3.25Å; K190-E246 IonicContact NZ-OE1 3.31Å; K190-E246 PolarHBondContact NZ-OE1 2.88Å
191R75.9Confident70.9Confident196 Ų19697.8 Ų97.874%0.7454%0.535SS*.Hα-helixtrans-73.1-33.1-179.6-166.5178-174.11120.2114.3A187 Y188 F189 T194A187-R191 PolarHBondContact O-N 3.04Å; Y188-R191 PolarHBondContact O-N 3.03Å; F189-R191 VanDerWaalsContact C-N 3.32Å; F189-R191 PolarHBondContact O-N 3.39Å; R191-T194 PolarHBondContact O-OG1 3.48Å
192N70.3Confident67.8Low36 Ų3699.8 Ų99.819%0.19357%0.566CS.*Hα-helixtrans-78-36.3176.7-7613.1000111.8Y188 F189 T194 R195 D196Y188-N192 WeakPolarHBondContact CE2-OD1 3.38Å; Y188-N192 PolarHBondContact O-N 2.91Å; Y188-N192 PolarHBondContact OH-ND2 3.28Å; F189-N192 PolarHBondContact O-N 3.45Å; N192-T194 PolarHBondContact O-N 2.98Å; N192-T194 VanDerWaalsContact O-N 3.15Å; N192-R195 PolarHBondContact O-N 3.37Å; N192-D196 PolarHBondContact O-N 3.41Å
193K60.7Low65Low185 Ų185108.4 Ų108.480%0.80460%0.599SS**Hα-helixtrans-59.6-26.7176.7-170.8171.9-179-179.80113.1F189F189-K193 WeakPolarHBondContact O-CB 3.36Å; F189-K193 PolarHBondContact O-N 3.05Å
194T48.3Very low61.9Low115 Ų115115.7 Ų115.771%0.70664%0.636SS**THydrogen-bonded Turntrans-85.6-1.7173.951.90000114.6R191 N192R191-T194 PolarHBondContact O-OG1 3.48Å; N192-T194 PolarHBondContact O-N 2.98Å; N192-T194 VanDerWaalsContact O-N 3.15Å
195R52.9Low59.1Low173 Ų173120.9 Ų120.965%0.65367%0.669SS**THydrogen-bonded Turntrans-105.8-30-176.3-161.5-176.267.6-169.9-0.6113.6N192 G197N192-R195 PolarHBondContact O-N 3.37Å; R195-G197 PolarHBondContact O-N 2.96Å
196D48.3Very low56.2Low141 Ų141127.6 Ų127.675%0.75469%0.694SS**THydrogen-bonded Turntrans-72.9-10.5177.7-84.9-110.3000113.9N192 G198N192-D196 PolarHBondContact O-N 3.41Å; D196-G198 PolarHBondContact O-N 3.16Å
197G45.6Very low53.1Low79 Ų79128.1 Ų128.181%0.81470%0.704SS**THydrogen-bonded Turntrans-88.414.4178.700000116R195R195-G197 PolarHBondContact O-N 2.96Å
198G40.2Very low50Low60 Ų60131.1 Ų131.162%0.61972%0.717SS**  trans-130.347.2-165.900000115.3D196 L200D196-G198 PolarHBondContact O-N 3.16Å; G198-L200 VanDerWaalsContact C-N 3.28Å; G198-L200 PolarHBondContact O-N 2.93Å
199G45Very low47.1Very low82 Ų82137.6 Ų137.685%0.84575%0.747SS**  trans-78.241.1-173.700000117.1
200L39.1Very low44.3Very low167 Ų167137.3 Ų137.387%0.87476%0.756SS**SBendtrans-131.8133.4171.5-74.6176.4000111.2G198 G202G198-L200 VanDerWaalsContact C-N 3.28Å; G198-L200 PolarHBondContact O-N 2.93Å; L200-G202 PolarHBondContact O-N 3.48Å
201G42.3Very low42.1Very low84 Ų84140.2 Ų140.287%0.86677%0.771SS**  trans-89.9101.8-163.100000115.4
202G31.1Very low39.5Very low80 Ų80138.1 Ų138.183%0.82578%0.775SS**  trans-88.7125.6160.500000111.6L200L200-G202 PolarHBondContact O-N 3.48Å
203K39.2Very low37.6Very low204 Ų204140 Ų14089%0.88780%0.795SS**  trans-93.3119.1174.8-52.1177.9-160.8-72.90109.2
204L30.1Very low36.5Very low167 Ų167137.2 Ų137.287%0.87480%0.796SS**  trans-148148.9173-15063000110
205P34.9Very low35.7Very low119 Ų119142.8 Ų142.877%0.77380%0.804SS**  trans-66.6149.3-162.7-26.337000116.2H207P205-H207 PolarHBondContact O-N 3.26Å; P205-H207 VanDerWaalsContact O-N 3.16Å
206R33.7Very low35Very low250 Ų250142.5 Ų142.594%0.94382%0.815SS**  trans-70.8100.6165.4-74.9175.8165.6161.9-5.4109.5
207H28.2Very low34.2Very low179 Ų179142.3 Ų142.383%0.82982%0.819SS**  trans-67.3139.4164.2-161.7-79.1000109.9P205P205-H207 PolarHBondContact O-N 3.26Å; P205-H207 VanDerWaalsContact O-N 3.16Å
208V27.1Very low33.4Very low108 Ų108147.7 Ų147.766%0.65582%0.82SS**  trans-67136.7-177.8177.30000110.4T210V208-T210 PolarHBondContact O-N 2.88Å
209F26.5Very low33.4Very low202 Ų202154.7 Ų154.789%0.88683%0.833SS**  trans-84.7100.6165.4-114-90.2000108.3
210T26.2Very low33.2Very low121 Ų121156.3 Ų156.374%0.74283%0.827SS**  trans-71.4128.116334.40000109V208V208-T210 PolarHBondContact O-N 2.88Å
211Q37.8Very low32.8Very low196 Ų196155.7 Ų155.792%0.91682%0.824SS**  trans-79.3120164.6-66.5-1784.400107.7
212D23.1Very low32.9Very low153 Ų153157 Ų15782%0.81882%0.821SS**  trans-134.5145.5159.7-155.1-21.5000109
213A30.1Very low33.7Very low74 Ų74157.2 Ų157.261%0.61280%0.802SS**  trans-118.898-166.100000110R215A213-R215 PolarHBondContact O-N 3.41Å
214P36.9Very low34.5Very low127 Ų127152.7 Ų152.783%0.82579%0.792SS**  trans-66.899.4-179.226.8-33.8000110.5
215R32.5Very low36.3Very low232 Ų232146.1 Ų146.188%0.87576%0.757SS**  trans-64.6146.2168.8-68.5-176.6176.7-118.80.9109.3A213 V217A213-R215 PolarHBondContact O-N 3.41Å; R215-V217 PolarHBondContact O-N 3.38Å
216L37.3Very low38.4Very low167 Ų167143.3 Ų143.387%0.87474%0.738SS**  trans-58.4127.1-172.6-82.967.1000112.2
217V32.3Very low41Very low138 Ų138131.4 Ų131.484%0.83669%0.693SS**  trans-107.6152.6150.3-179.20000107.9R215R215-V217 PolarHBondContact O-N 3.38Å
218F28.3Very low43.8Very low192 Ų192125.4 Ų125.484%0.84267%0.667SS**  trans-69.4151.9-152-72-96.8000116.5T220F218-T220 PolarHBondContact O-N 2.73Å; F218-T220 VanDerWaalsContact O-N 3.07Å
219K40.6Very low46.8Very low207 Ų207124.4 Ų124.490%0.965%0.652SS**  trans-58.896.4172.1175.4-163.9171.8-175.40112.5
220T40Very low49.8Very low115 Ų115116.2 Ų116.271%0.70662%0.619SS**  trans-144.5131.915444.90000111F218F218-T220 PolarHBondContact O-N 2.73Å; F218-T220 VanDerWaalsContact O-N 3.07Å
221N31Very low52.7Low154 Ų154118.7 Ų118.782%0.82462%0.619SS**  trans64.1124.1173.4-53.7-49.6000117.9
222S44Very low54.9Low113 Ų113114.9 Ų114.979%0.7960%0.601SS**SBendtrans-94.32.6173.529.40000113.4
223D48.3Very low57.4Low83 Ų83113.5 Ų113.544%0.44459%0.593SS.*  trans-136.964.8-149.4-65.2-81.5000112.5L225D223-L225 VanDerWaalsContact C-N 3.27Å; D223-L225 HydrophobicContact CB-CD2 3.72Å; D223-L225 HydrophobicContact CB-CG 4.08Å; D223-L225 PolarHBondContact O-N 3.15Å; D223-L225 VanDerWaalsContact O-N 3.14Å
224V54.9Low59.1Low109 Ų109118.1 Ų118.166%0.66159%0.594SS**  trans-77.591.1153.7-172.60000106.2V226 I233V224-V226 HydrophobicContact CG1-CG2 4Å; V224-V226 PolarHBondContact O-N 3.03Å; V224-I233 HydrophobicContact CG1-CD1 4Å; V224-I233 HydrophobicContact CG1-CG1 3.97Å; V224-I233 HydrophobicContact CG1-CG2 4.15Å
225L68.1Low60.1Low29 Ų29120.4 Ų120.415%0.15259%0.593CS.*  trans-72.172.4-173.3-58.2179.3000111.3D223 R234 T236D223-L225 VanDerWaalsContact C-N 3.27Å; D223-L225 HydrophobicContact CB-CD2 3.72Å; D223-L225 HydrophobicContact CB-CG 4.08Å; D223-L225 PolarHBondContact O-N 3.15Å; D223-L225 VanDerWaalsContact O-N 3.14Å; L225-R234 PolarHBondContact O-N 3.28Å; L225-R234 VanDerWaalsContact O-N 3.1Å; L225-R234 VanDerWaalsContact O-O 3.08Å; L225-T236 HydrophobicContact CB-CG2 3.9Å; L225-T236 WeakPolarHBondContact CD2-OG1 3.45Å
226V80.1Confident61.4Low60 Ų60110 Ų11036%0.36456%0.556SS.*BIsolated β-bridgetrans-80.4126.4170.4-176.50000108.2V224 I233V224-V226 HydrophobicContact CG1-CG2 4Å; V224-V226 PolarHBondContact O-N 3.03Å; V226-I233 HydrophobicContact CG2-CG1 3.92Å
227C87.9Confident62.5Low0 Ų0111.1 Ų111.10%055%0.554CS.*  trans-75.8130.9173.3171.70000112.2W229 C230 K231 H232 Q250 F251 C252C227-W229 PolarHBondContact O-N 3.31Å; C227-W229 PolarHBondContact SG-N 3.25Å; C227-W229 VanDerWaalsContact SG-N 3.36Å; C227-C230 HydrophobicContact CB-CB 4.33Å; C227-C230 WeakPolarHBondContact CB-SG 3.37Å; C227-C230 PolarHBondContact SG-N 2.9Å; C227-K231 VanDerWaalsContact O-CA 3.23Å; C227-K231 WeakPolarHBondContact O-CA 3.23Å; C227-K231 PolarHBondContact O-N 2.82Å; C227-H232 PolarHBondContact N-O 2.84Å; C227-Q250 CarbonylContact C-O 3.58Å; C227-Q250 VanDerWaalsContact CA-O 3.25Å; C227-Q250 WeakPolarHBondContact CA-O 3.36Å; C227-Q250 PolarHBondContact SG-O 2.98Å; C227-Q250 VanDerWaalsContact SG-O 3.37Å; C227-F251 VanDerWaalsContact SG-CA 3.57Å; C227-C252 HydrophobicContact CB-CB 3.55Å; C227-C252 PolarHBondContact SG-N 3.04Å; C227-C252 VanDerWaalsContact SG-SG 3.62Å
228D87.3Confident63.7Low54 Ų54108.2 Ų108.229%0.28953%0.531SS..THydrogen-bonded Turntrans-59.3-33.1177.9-74.4-89.6000113.2R247 L249 Q250D228-R247 IonicContact OD1-CZ 3.47Å; D228-R247 IonicContact OD1-NH1 2.74Å; D228-R247 PolarHBondContact OD1-NH1 3.16Å; D228-L249 HydrophobicContact CB-CB 4.4Å; D228-L249 HydrophobicContact CB-CD2 4.27Å; D228-L249 VanDerWaalsContact OD2-CA 3.32Å; D228-L249 WeakPolarHBondContact OD2-CA 2.94Å; D228-Q250 PolarHBondContact N-O 3.22Å; D228-Q250 PolarHBondContact OD2-N 3.5Å
229W89.3Confident65.4Low87 Ų87104.8 Ų104.833%0.3351%0.513SS..THydrogen-bonded Turntrans-80.6-63173.5-177.5-97.1000112.7C227 K231 F251 C256 Q259 Y260 D263C227-W229 PolarHBondContact O-N 3.31Å; C227-W229 PolarHBondContact SG-N 3.25Å; C227-W229 VanDerWaalsContact SG-N 3.36Å; W229-K231 VanDerWaalsContact C-N 3.32Å; W229-K231 PolarHBondContact O-N 2.71Å; W229-F251 HydrophobicContact CB-CD1 4.11Å; W229-F251 HydrophobicContact CB-CE1 4.03Å; W229-C256 HydrophobicContact CB-CB 4.08Å; W229-C256 HydrophobicContact CG-CB 4.13Å; W229-Q259 HydrophobicContact CD2-CB 4.44Å; W229-Q259 HydrophobicContact CD2-CG 4.47Å; W229-Q259 HydrophobicContact CH2-CG 4.02Å; W229-Q259 HydrophobicContact CZ2-CB 4.1Å; W229-Q259 HydrophobicContact CZ2-CG 3.27Å; W229-Y260 AromaticContact CE3-CD2 3.94Å; W229-Y260 HydrophobicContact CE3-CD2 3.94Å; W229-Y260 HydrophobicContact CE3-CG 4.34Å; W229-Y260 HydrophobicContact CZ3-CD2 4.38Å; W229-D263 HydrophobicContact CH2-CB 3.66Å; W229-D263 HydrophobicContact CZ3-CB 3.55Å
230C89.5Confident66.8Low29 Ų2997.1 Ų97.120%0.19648%0.482CS..THydrogen-bonded Turntrans-80.6-11.3-167.883.40000113.7C227 H232 C252 C256C227-C230 HydrophobicContact CB-CB 4.33Å; C227-C230 WeakPolarHBondContact CB-SG 3.37Å; C227-C230 PolarHBondContact SG-N 2.9Å; C230-H232 PolarHBondContact O-N 2.89Å; C230-H232 PolarHBondContact O-ND1 3.39Å; C230-C252 WeakPolarHBondContact CB-SG 3.43Å; C230-C252 WeakPolarHBondContact SG-CB 3.43Å; C230-C252 CovalentContact SG-SG 2.06Å; C230-C252 PolarHBondContact SG-SG 3.36Å; C230-C256 HydrophobicContact CB-CB 4.47Å
231K87.9Confident67.7Low173 Ų17396 Ų9675%0.75247%0.472SS*.  trans54.21.5-176.7-62.4-174.3-179.3178.20116.8C227 W229C227-K231 VanDerWaalsContact O-CA 3.23Å; C227-K231 WeakPolarHBondContact O-CA 3.23Å; C227-K231 PolarHBondContact O-N 2.82Å; W229-K231 VanDerWaalsContact C-N 3.32Å; W229-K231 PolarHBondContact O-N 2.71Å
232H83.5Confident69Low117 Ų11793.3 Ų93.354%0.54245%0.453SS..SBendtrans-83143.5174-68.178.5000110.8C227 C230 R234C227-H232 PolarHBondContact N-O 2.84Å; C230-H232 PolarHBondContact O-N 2.89Å; C230-H232 PolarHBondContact O-ND1 3.39Å; H232-R234 HydrophobicContact CB-CG 4.42Å; H232-R234 PolarHBondContact O-N 2.93Å
233I75.4Confident69.2Low124 Ų12492.2 Ų92.264%0.63646%0.459SS*.BIsolated β-bridgetrans-74.5104.1168.3-56.5164.7000107.6V224 V226V224-I233 HydrophobicContact CG1-CD1 4Å; V224-I233 HydrophobicContact CG1-CG1 3.97Å; V224-I233 HydrophobicContact CG1-CG2 4.15Å; V226-I233 HydrophobicContact CG2-CG1 3.92Å
234R65.4Low69.2Low170 Ų17092.4 Ų92.464%0.64247%0.472SS*.  trans-152.1142174.4-66.8-168.4-177.9-142.7-0108.8L225 H232 T236 C252L225-R234 PolarHBondContact O-N 3.28Å; L225-R234 VanDerWaalsContact O-N 3.1Å; L225-R234 VanDerWaalsContact O-O 3.08Å; H232-R234 HydrophobicContact CB-CG 4.42Å; H232-R234 PolarHBondContact O-N 2.93Å; R234-T236 PolarHBondContact O-N 3.4Å; R234-C252 HydrophobicContact CB-CB 4.17Å
235H58.8Low69.1Low175 Ų17591 Ų9181%0.8148%0.479SS*.  trans-43.8105.6-179-59.6-87.1000112.5
236T58.4Low68.7Low14 Ų1494.8 Ų94.89%0.08650%0.496CS..  trans-75.7128.9-179.953.50000109.4L225 R234 Q250 F251L225-T236 HydrophobicContact CB-CG2 3.9Å; L225-T236 WeakPolarHBondContact CD2-OG1 3.45Å; R234-T236 PolarHBondContact O-N 3.4Å; T236-Q250 HydrophobicContact CG2-CB 3.64Å; T236-F251 VanDerWaalsContact CA-O 3.31Å; T236-F251 WeakPolarHBondContact CA-O 3.31Å
237K60.7Low68.1Low191 Ų191100.6 Ų100.683%0.8351%0.512SS*.  trans-109.6-10.6-176.5-151.9176.9-179.5-176.20114F251K237-F251 PolarHBondContact N-O 2.96Å
238E59Low67.5Low77 Ų77108.2 Ų108.236%0.3654%0.541SS..EExtended strand (participates in β ladder)trans-137.7139.7-175.4-70.4167.8-166.800110.5F251 L257E238-F251 PolarHBondContact O-N 3.02Å; E238-F251 VanDerWaalsContact O-N 3.13Å; E238-L257 WeakPolarHBondContact OE2-CD2 3.42Å
239Y63.4Low67.4Low120 Ų120106 Ų10647%0.47153%0.529SS..EExtended strand (participates in β ladder)trans-121.1137.8179.3-60.8-84.8000110L249 Q250Y239-L249 WeakPolarHBondContact CA-O 3.39Å; Y239-Q250 HydrophobicContact CD1-CG 3.97Å; Y239-Q250 HydrophobicContact CE1-CG 3.88Å
240L69.3Low67.2Low46 Ų46104.1 Ų104.124%0.24152%0.524CS..EExtended strand (participates in β ladder)trans-104.4118162.5-76.5-177.2000110.7F242 L249 F251 L257 Y260L240-F242 HydrophobicContact CB-CD2 4.43Å; L240-F242 HydrophobicContact CB-CE2 3.9Å; L240-F242 HydrophobicContact CD1-CE2 4.14Å; L240-F242 HydrophobicContact CD1-CZ 4.06Å; L240-L249 PolarHBondContact N-O 3.28Å; L240-L249 PolarHBondContact O-N 2.77Å; L240-L249 VanDerWaalsContact O-N 3.11Å; L240-F251 HydrophobicContact CB-CE2 4.23Å; L240-F251 HydrophobicContact CD1-CE2 4.1Å; L240-F251 HydrophobicContact CD1-CZ 4.46Å; L240-F251 HydrophobicContact CG-CE2 4.06Å; L240-L257 HydrophobicContact CD1-CD1 3.45Å; L240-L257 VanDerWaalsContact CD1-CD1 3.45Å; L240-L257 HydrophobicContact CD2-CD1 4.15Å; L240-L257 HydrophobicContact CG-CD1 3.57Å; L240-Y260 HydrophobicContact CD1-CD1 4.41Å; L240-Y260 HydrophobicContact CD1-CE1 4.43Å
241D60.3Low67.1Low91 Ų91102.8 Ų102.849%0.48751%0.514SS..  trans-96.596.4172.1-8829.3000110.2G243 R248D241-G243 PolarHBondContact O-N 3.01Å; D241-G243 VanDerWaalsContact O-N 3.16Å; D241-R248 VanDerWaalsContact OD1-CD 3.3Å; D241-R248 WeakPolarHBondContact OD1-CD 3.16Å; D241-R248 WeakPolarHBondContact OD1-CG 3.4Å; D241-R248 IonicContact OD1-CZ 3.22Å; D241-R248 IonicContact OD1-NE 2.91Å; D241-R248 PolarHBondContact OD1-NE 2.89Å; D241-R248 IonicContact OD1-NH2 2.73Å; D241-R248 IonicContact OD2-CZ 2.58Å; D241-R248 VanDerWaalsContact OD2-CZ 3.22Å; D241-R248 IonicContact OD2-NE 3.64Å; D241-R248 PolarHBondContact OD2-NE 3.03Å; D241-R248 IonicContact OD2-NH2 3.59Å; D241-R248 PolarHBondContact OD2-NH2 3.18Å
242F58.4Low67.1Low98 Ų9895.8 Ų95.843%0.4349%0.487SS..  trans-71.9105.6164.5-63.7-88.4000108.2L240 A244 L249 Y260L240-F242 HydrophobicContact CB-CD2 4.43Å; L240-F242 HydrophobicContact CB-CE2 3.9Å; L240-F242 HydrophobicContact CD1-CE2 4.14Å; L240-F242 HydrophobicContact CD1-CZ 4.06Å; F242-A244 PolarHBondContact O-N 3.02Å; F242-L249 HydrophobicContact CD2-CD1 4.5Å; F242-L249 HydrophobicContact CE2-CD1 3.8Å; F242-L249 HydrophobicContact CE2-CG 4.19Å; F242-Y260 HydrophobicContact CE2-CE1 4.4Å; F242-Y260 HydrophobicContact CZ-CE1 4.2Å
243G47.4Very low67.2Low89 Ų8992.5 Ų92.592%0.91848%0.477SS*.THydrogen-bonded Turntrans-62.79.9-163.700000118.3D241D241-G243 PolarHBondContact O-N 3.01Å; D241-G243 VanDerWaalsContact O-N 3.16Å
244A48.5Very low67.7Low87 Ų8788.6 Ų88.672%0.71946%0.464SS*.THydrogen-bonded Turntrans-93.510.5179.900000114.2F242 E246F242-A244 PolarHBondContact O-N 3.02Å; A244-E246 HydrophobicContact CB-CG 4.41Å
245G51.8Low68.9Low79 Ų7989.2 Ų89.281%0.81447%0.471SS*.THydrogen-bonded Turntrans77.322.6-177.200000113.7
246E60.8Low70.4Confident109 Ų10981.8 Ų81.851%0.50944%0.438SS..PPolyproline II helixtrans-86.6166171.4-53.7-159.8152.700109.6K190 A244 R248K190-E246 IonicContact NZ-OE1 3.31Å; K190-E246 PolarHBondContact NZ-OE1 2.88Å; A244-E246 HydrophobicContact CB-CG 4.41Å; E246-R248 PolarHBondContact O-N 3.08Å
247R66.9Low71.9Confident183 Ų18381.8 Ų81.869%0.69144%0.438SS*.PPolyproline II helixtrans-58.1131.6-172.150.1169.5175.7157.2-4.2111.5D228 L249D228-R247 IonicContact OD1-CZ 3.47Å; D228-R247 IonicContact OD1-NH1 2.74Å; D228-R247 PolarHBondContact OD1-NH1 3.16Å; R247-L249 HydrophobicContact CG-CD2 3.86Å; R247-L249 PolarHBondContact O-N 3.18Å
248R75.9Confident73.3Confident159 Ų15976.7 Ų76.760%0.642%0.42SS*.PPolyproline II helixtrans-62.1117.7169.9-56.6-171.8136.3168.7-4.8108.3D241 E246D241-R248 VanDerWaalsContact OD1-CD 3.3Å; D241-R248 WeakPolarHBondContact OD1-CD 3.16Å; D241-R248 WeakPolarHBondContact OD1-CG 3.4Å; D241-R248 IonicContact OD1-CZ 3.22Å; D241-R248 IonicContact OD1-NE 2.91Å; D241-R248 PolarHBondContact OD1-NE 2.89Å; D241-R248 IonicContact OD1-NH2 2.73Å; D241-R248 IonicContact OD2-CZ 2.58Å; D241-R248 VanDerWaalsContact OD2-CZ 3.22Å; D241-R248 IonicContact OD2-NE 3.64Å; D241-R248 PolarHBondContact OD2-NE 3.03Å; D241-R248 IonicContact OD2-NH2 3.59Å; D241-R248 PolarHBondContact OD2-NH2 3.18Å; E246-R248 PolarHBondContact O-N 3.08Å
249L86Confident74.8Confident8 Ų877.7 Ų77.74%0.04243%0.425CS..EExtended strand (participates in β ladder)trans-84.7134179.2-56.3-172.7000109.9D228 Y239 L240 F242 R247 F251 Y260D228-L249 HydrophobicContact CB-CB 4.4Å; D228-L249 HydrophobicContact CB-CD2 4.27Å; D228-L249 VanDerWaalsContact OD2-CA 3.32Å; D228-L249 WeakPolarHBondContact OD2-CA 2.94Å; Y239-L249 WeakPolarHBondContact CA-O 3.39Å; L240-L249 PolarHBondContact N-O 3.28Å; L240-L249 PolarHBondContact O-N 2.77Å; L240-L249 VanDerWaalsContact O-N 3.11Å; F242-L249 HydrophobicContact CD2-CD1 4.5Å; F242-L249 HydrophobicContact CE2-CD1 3.8Å; F242-L249 HydrophobicContact CE2-CG 4.19Å; R247-L249 HydrophobicContact CG-CD2 3.86Å; R247-L249 PolarHBondContact O-N 3.18Å; L249-F251 HydrophobicContact CB-CE2 3.65Å; L249-F251 HydrophobicContact CB-CZ 3.71Å; L249-F251 HydrophobicContact CD1-CZ 4.29Å; L249-Y260 HydrophobicContact CD1-CD1 4.35Å; L249-Y260 HydrophobicContact CD1-CE1 3.46Å; L249-Y260 VanDerWaalsContact CD1-CE1 3.46Å; L249-Y260 HydrophobicContact CD1-CE2 4.16Å; L249-Y260 VanDerWaalsContact CD1-OH 3.23Å; L249-Y260 WeakPolarHBondContact CD1-OH 3.38Å
250Q83.9Confident76.2Confident47 Ų4774.2 Ų74.222%0.2241%0.411CS..EExtended strand (participates in β ladder)trans-110.2138-175.1-45-169.40.800111C227 D228 T236 Y239C227-Q250 CarbonylContact C-O 3.58Å; C227-Q250 VanDerWaalsContact CA-O 3.25Å; C227-Q250 WeakPolarHBondContact CA-O 3.36Å; C227-Q250 PolarHBondContact SG-O 2.98Å; C227-Q250 VanDerWaalsContact SG-O 3.37Å; D228-Q250 PolarHBondContact N-O 3.22Å; D228-Q250 PolarHBondContact OD2-N 3.5Å; T236-Q250 HydrophobicContact CG2-CB 3.64Å; Y239-Q250 HydrophobicContact CD1-CG 3.97Å; Y239-Q250 HydrophobicContact CE1-CG 3.88Å
251F88.1Confident77.1Confident1 Ų176.6 Ų76.60%0.00442%0.419CS..EExtended strand (participates in β ladder)trans-122.3129.3-176-59.8-82.7000114.2C227 W229 T236 K237 E238 L240 L249 S253 C256 L257 Y260C227-F251 VanDerWaalsContact SG-CA 3.57Å; W229-F251 HydrophobicContact CB-CD1 4.11Å; W229-F251 HydrophobicContact CB-CE1 4.03Å; T236-F251 VanDerWaalsContact CA-O 3.31Å; T236-F251 WeakPolarHBondContact CA-O 3.31Å; K237-F251 PolarHBondContact N-O 2.96Å; E238-F251 PolarHBondContact O-N 3.02Å; E238-F251 VanDerWaalsContact O-N 3.13Å; L240-F251 HydrophobicContact CB-CE2 4.23Å; L240-F251 HydrophobicContact CD1-CE2 4.1Å; L240-F251 HydrophobicContact CD1-CZ 4.46Å; L240-F251 HydrophobicContact CG-CE2 4.06Å; L249-F251 HydrophobicContact CB-CE2 3.65Å; L249-F251 HydrophobicContact CB-CZ 3.71Å; L249-F251 HydrophobicContact CD1-CZ 4.29Å; F251-S253 PolarHBondContact O-N 3.06Å; F251-C256 HydrophobicContact CD1-CB 4.46Å; F251-L257 HydrophobicContact CB-CB 4.07Å; F251-L257 HydrophobicContact CD1-CB 4.23Å; F251-L257 HydrophobicContact CD2-CB 4.21Å; F251-L257 HydrophobicContact CD2-CD1 3.7Å; F251-L257 HydrophobicContact CE2-CD1 3.67Å; F251-L257 HydrophobicContact CG-CB 3.88Å; F251-L257 HydrophobicContact CG-CD1 4.21Å; F251-L257 HydrophobicContact CZ-CD1 4.17Å; F251-Y260 AromaticContact CE1-CD1 3.95Å; F251-Y260 HydrophobicContact CE1-CD1 3.95Å; F251-Y260 AromaticContact CE1-CG 3.85Å; F251-Y260 HydrophobicContact CE1-CG 3.85Å; F251-Y260 AromaticContact CZ-CD1 3.54Å; F251-Y260 HydrophobicContact CZ-CD1 3.54Å; F251-Y260 HydrophobicContact CZ-CE1 4.16Å; F251-Y260 AromaticContact CZ-CG 3.92Å; F251-Y260 HydrophobicContact CZ-CG 3.92Å
252C87.9Confident78.6Confident27 Ų2776 Ų7618%0.18242%0.415CS..SBendtrans-71-14.8177.360.30000112.6C227 C230 R234 C256C227-C252 HydrophobicContact CB-CB 3.55Å; C227-C252 PolarHBondContact SG-N 3.04Å; C227-C252 VanDerWaalsContact SG-SG 3.62Å; C230-C252 WeakPolarHBondContact CB-SG 3.43Å; C230-C252 WeakPolarHBondContact SG-CB 3.43Å; C230-C252 CovalentContact SG-SG 2.06Å; C230-C252 PolarHBondContact SG-SG 3.36Å; R234-C252 HydrophobicContact CB-CB 4.17Å; C252-C256 PolarHBondContact SG-SG 3.47Å
253S85.4Confident80.1Confident47 Ų4773.4 Ų73.433%0.32941%0.405SS..SBendtrans-167.8161.9170.467.40000111.3F251 K255 C256 L257F251-S253 PolarHBondContact O-N 3.06Å; S253-K255 PolarHBondContact O-N 3.44Å; S253-K255 PolarHBondContact OG-N 2.99Å; S253-C256 WeakPolarHBondContact O-CB 3.48Å; S253-C256 PolarHBondContact O-N 3.4Å; S253-C256 PolarHBondContact OG-N 3.22Å; S253-C256 PolarHBondContact OG-SG 3.19Å; S253-L257 PolarHBondContact O-N 3.21Å
254A86.6Confident82.2Confident43 Ų4372.2 Ų72.236%0.35538%0.377SS..Hα-helixtrans-57.9-28169.900000113.3C256 L257 N258A254-C256 VanDerWaalsContact C-N 3.33Å; A254-L257 PolarHBondContact O-N 3.46Å; A254-N258 WeakPolarHBondContact O-CB 3.12Å; A254-N258 VanDerWaalsContact O-CG 3.29Å; A254-N258 PolarHBondContact O-N 3.25Å
255K89.4Confident84.2Confident182 Ų18273.9 Ų73.979%0.79137%0.368SS*.Hα-helixtrans-62.1-42.7172.2-67.2-171.4176.5-173.50111.1S253 N258 Q259S253-K255 PolarHBondContact O-N 3.44Å; S253-K255 PolarHBondContact OG-N 2.99Å; K255-N258 PolarHBondContact O-N 3.44Å; K255-Q259 WeakPolarHBondContact O-CB 3.31Å; K255-Q259 PolarHBondContact O-N 2.98Å
256C90.3Very high86Confident19 Ų1976.4 Ų76.413%0.12835%0.354CS..Hα-helixtrans-74.8-33.5179.8-59.50000112.4W229 C230 F251 C252 S253 A254 Y260W229-C256 HydrophobicContact CB-CB 4.08Å; W229-C256 HydrophobicContact CG-CB 4.13Å; C230-C256 HydrophobicContact CB-CB 4.47Å; F251-C256 HydrophobicContact CD1-CB 4.46Å; C252-C256 PolarHBondContact SG-SG 3.47Å; S253-C256 WeakPolarHBondContact O-CB 3.48Å; S253-C256 PolarHBondContact O-N 3.4Å; S253-C256 PolarHBondContact OG-N 3.22Å; S253-C256 PolarHBondContact OG-SG 3.19Å; A254-C256 VanDerWaalsContact C-N 3.33Å; C256-Y260 WeakPolarHBondContact O-CB 3.21Å; C256-Y260 PolarHBondContact O-N 2.88Å
257L89.4Confident87.4Confident15 Ų1576.4 Ų76.48%0.07935%0.352CS..Hα-helixtrans-60.3-49.1168.4172.762.1000111.5E238 L240 F251 S253 A254 Y260 K261E238-L257 WeakPolarHBondContact OE2-CD2 3.42Å; L240-L257 HydrophobicContact CD1-CD1 3.45Å; L240-L257 VanDerWaalsContact CD1-CD1 3.45Å; L240-L257 HydrophobicContact CD2-CD1 4.15Å; L240-L257 HydrophobicContact CG-CD1 3.57Å; F251-L257 HydrophobicContact CB-CB 4.07Å; F251-L257 HydrophobicContact CD1-CB 4.23Å; F251-L257 HydrophobicContact CD2-CB 4.21Å; F251-L257 HydrophobicContact CD2-CD1 3.7Å; F251-L257 HydrophobicContact CE2-CD1 3.67Å; F251-L257 HydrophobicContact CG-CB 3.88Å; F251-L257 HydrophobicContact CG-CD1 4.21Å; F251-L257 HydrophobicContact CZ-CD1 4.17Å; S253-L257 PolarHBondContact O-N 3.21Å; A254-L257 PolarHBondContact O-N 3.46Å; L257-Y260 PolarHBondContact O-N 3.38Å; L257-K261 WeakPolarHBondContact O-CG 3.35Å; L257-K261 PolarHBondContact O-N 2.94Å
258N90.3Very high88.5Confident83 Ų8374 Ų7444%0.44435%0.349SS..Hα-helixtrans-71.9-36.4-177.1-70.4-13.7000112.3A254 K255 Y260 K261 M262A254-N258 WeakPolarHBondContact O-CB 3.12Å; A254-N258 VanDerWaalsContact O-CG 3.29Å; A254-N258 PolarHBondContact O-N 3.25Å; K255-N258 PolarHBondContact O-N 3.44Å; N258-Y260 VanDerWaalsContact C-N 3.33Å; N258-Y260 PolarHBondContact O-N 3.11Å; N258-K261 PolarHBondContact O-N 2.89Å; N258-K261 PolarHBondContact OD1-NZ 3.18Å; N258-M262 WeakPolarHBondContact O-CG 3.26Å; N258-M262 PolarHBondContact O-N 3.44Å
259Q92Very high89.1Confident99 Ų9969 Ų6946%0.46334%0.336SS..Hα-helixtrans-64.1-38.6172.9-166.365.654.300111.8W229 K255 M262 D263W229-Q259 HydrophobicContact CD2-CB 4.44Å; W229-Q259 HydrophobicContact CD2-CG 4.47Å; W229-Q259 HydrophobicContact CH2-CG 4.02Å; W229-Q259 HydrophobicContact CZ2-CB 4.1Å; W229-Q259 HydrophobicContact CZ2-CG 3.27Å; K255-Q259 WeakPolarHBondContact O-CB 3.31Å; K255-Q259 PolarHBondContact O-N 2.98Å; Q259-M262 PolarHBondContact O-N 2.92Å; Q259-D263 WeakPolarHBondContact O-CB 3.41Å; Q259-D263 PolarHBondContact O-N 2.94Å
260Y90.8Very high89Confident46 Ų4674.4 Ų74.418%0.1836%0.361CS..Hα-helixtrans-63.7-43.8172.4174.8-105.6000112.5W229 L240 F242 L249 F251 C256 L257 N258 M262 D263 I264W229-Y260 AromaticContact CE3-CD2 3.94Å; W229-Y260 HydrophobicContact CE3-CD2 3.94Å; W229-Y260 HydrophobicContact CE3-CG 4.34Å; W229-Y260 HydrophobicContact CZ3-CD2 4.38Å; L240-Y260 HydrophobicContact CD1-CD1 4.41Å; L240-Y260 HydrophobicContact CD1-CE1 4.43Å; F242-Y260 HydrophobicContact CE2-CE1 4.4Å; F242-Y260 HydrophobicContact CZ-CE1 4.2Å; L249-Y260 HydrophobicContact CD1-CD1 4.35Å; L249-Y260 HydrophobicContact CD1-CE1 3.46Å; L249-Y260 VanDerWaalsContact CD1-CE1 3.46Å; L249-Y260 HydrophobicContact CD1-CE2 4.16Å; L249-Y260 VanDerWaalsContact CD1-OH 3.23Å; L249-Y260 WeakPolarHBondContact CD1-OH 3.38Å; F251-Y260 AromaticContact CE1-CD1 3.95Å; F251-Y260 HydrophobicContact CE1-CD1 3.95Å; F251-Y260 AromaticContact CE1-CG 3.85Å; F251-Y260 HydrophobicContact CE1-CG 3.85Å; F251-Y260 AromaticContact CZ-CD1 3.54Å; F251-Y260 HydrophobicContact CZ-CD1 3.54Å; F251-Y260 HydrophobicContact CZ-CE1 4.16Å; F251-Y260 AromaticContact CZ-CG 3.92Å; F251-Y260 HydrophobicContact CZ-CG 3.92Å; C256-Y260 WeakPolarHBondContact O-CB 3.21Å; C256-Y260 PolarHBondContact O-N 2.88Å; L257-Y260 PolarHBondContact O-N 3.38Å; N258-Y260 VanDerWaalsContact C-N 3.33Å; N258-Y260 PolarHBondContact O-N 3.11Å; Y260-M262 VanDerWaalsContact C-N 3.31Å; Y260-M262 PolarHBondContact O-N 3.44Å; Y260-D263 PolarHBondContact O-N 3.48Å; Y260-I264 HydrophobicContact CD1-CG1 4.44Å; Y260-I264 HydrophobicContact CD2-CG1 4.19Å; Y260-I264 HydrophobicContact CE1-CG1 3.93Å; Y260-I264 HydrophobicContact CE2-CD1 3.77Å; Y260-I264 HydrophobicContact CE2-CG1 3.65Å; Y260-I264 VanDerWaalsContact CZ-CG1 3.49Å; Y260-I264 WeakPolarHBondContact O-CG1 3.37Å; Y260-I264 PolarHBondContact O-N 2.99Å
261K89.9Confident88.6Confident97 Ų9776.3 Ų76.342%0.42239%0.385SS..Hα-helixtrans-57.8-43.5173.9-71.4171.6-175165.50111.9L257 N258 F265L257-K261 WeakPolarHBondContact O-CG 3.35Å; L257-K261 PolarHBondContact O-N 2.94Å; N258-K261 PolarHBondContact O-N 2.89Å; N258-K261 PolarHBondContact OD1-NZ 3.18Å; K261-F265 WeakPolarHBondContact O-CB 3.22Å; K261-F265 PolarHBondContact O-N 3.46Å
262M91.4Very high87.8Confident79 Ų7980.2 Ų80.239%0.38942%0.418SS..Hα-helixtrans-66-42.9176.2-70.3-54.3-54.700112.2N258 Q259 Y260 I264 F265 Y266N258-M262 WeakPolarHBondContact O-CG 3.26Å; N258-M262 PolarHBondContact O-N 3.44Å; Q259-M262 PolarHBondContact O-N 2.92Å; Y260-M262 VanDerWaalsContact C-N 3.31Å; Y260-M262 PolarHBondContact O-N 3.44Å; M262-I264 PolarHBondContact O-N 3.14Å; M262-F265 PolarHBondContact O-N 3.44Å; M262-Y266 HydrophobicContact CB-CD2 4.38Å; M262-Y266 HydrophobicContact CB-CE2 4.37Å; M262-Y266 HydrophobicContact CE-CD2 4.25Å; M262-Y266 HydrophobicContact CE-CE2 3.59Å; M262-Y266 WeakPolarHBondContact O-CB 3.36Å; M262-Y266 WeakPolarHBondContact O-CD2 3.47Å; M262-Y266 PolarHBondContact O-N 2.87Å
263D90.4Very high87.1Confident42 Ų4283.8 Ų83.823%0.22543%0.434CS..Hα-helixtrans-63-39.7178-179.967.4000112.2W229 Q259 Y260 K267W229-D263 HydrophobicContact CH2-CB 3.66Å; W229-D263 HydrophobicContact CZ3-CB 3.55Å; Q259-D263 WeakPolarHBondContact O-CB 3.41Å; Q259-D263 PolarHBondContact O-N 2.94Å; Y260-D263 PolarHBondContact O-N 3.48Å; D263-K267 VanDerWaalsContact O-CG 3.31Å; D263-K267 WeakPolarHBondContact O-CG 3.45Å; D263-K267 PolarHBondContact O-N 2.95Å; D263-K267 WeakPolarHBondContact OD1-CE 3.48Å; D263-K267 IonicContact OD1-NZ 3.56Å; D263-K267 PolarHBondContact OD1-NZ 3.48Å; D263-K267 WeakPolarHBondContact OD2-CE 3.43Å; D263-K267 IonicContact OD2-NZ 2.73Å; D263-K267 PolarHBondContact OD2-NZ 2.94Å
264I91Very high85.9Confident65 Ų6586.8 Ų86.833%0.33345%0.453SS..Hα-helixtrans-62.8-50.6170.7-66.8-62.8000110.8Y260 M262 Y266 K267 E268Y260-I264 HydrophobicContact CD1-CG1 4.44Å; Y260-I264 HydrophobicContact CD2-CG1 4.19Å; Y260-I264 HydrophobicContact CE1-CG1 3.93Å; Y260-I264 HydrophobicContact CE2-CD1 3.77Å; Y260-I264 HydrophobicContact CE2-CG1 3.65Å; Y260-I264 VanDerWaalsContact CZ-CG1 3.49Å; Y260-I264 WeakPolarHBondContact O-CG1 3.37Å; Y260-I264 PolarHBondContact O-N 2.99Å; M262-I264 PolarHBondContact O-N 3.14Å; I264-Y266 VanDerWaalsContact C-N 3.34Å; I264-Y266 PolarHBondContact O-N 2.88Å; I264-K267 PolarHBondContact O-N 3.03Å; I264-K267 VanDerWaalsContact O-N 3.16Å; I264-E268 VanDerWaalsContact O-CB 3.31Å; I264-E268 WeakPolarHBondContact O-CB 3.47Å; I264-E268 PolarHBondContact O-N 2.82Å
265F90.1Very high84.5Confident122 Ų12288.6 Ų88.654%0.53548%0.475SS..Hα-helixtrans-59-41.7179.2-178.7-99.5000112.8K261 M262 T269K261-F265 WeakPolarHBondContact O-CB 3.22Å; K261-F265 PolarHBondContact O-N 3.46Å; M262-F265 PolarHBondContact O-N 3.44Å; F265-T269 VanDerWaalsContact O-CB 3.26Å; F265-T269 WeakPolarHBondContact O-CB 3.38Å; F265-T269 PolarHBondContact O-N 3.37Å; F265-T269 PolarHBondContact O-OG1 2.88Å
266Y89.7Confident82.4Confident131 Ų13184.2 Ų84.251%0.51447%0.473SS..Hα-helixtrans-64.8-42.7175.1-80.5-61000112.3M262 I264 Q270M262-Y266 HydrophobicContact CB-CD2 4.38Å; M262-Y266 HydrophobicContact CB-CE2 4.37Å; M262-Y266 HydrophobicContact CE-CD2 4.25Å; M262-Y266 HydrophobicContact CE-CE2 3.59Å; M262-Y266 WeakPolarHBondContact O-CB 3.36Å; M262-Y266 WeakPolarHBondContact O-CD2 3.47Å; M262-Y266 PolarHBondContact O-N 2.87Å; I264-Y266 VanDerWaalsContact C-N 3.34Å; I264-Y266 PolarHBondContact O-N 2.88Å; Y266-Q270 WeakPolarHBondContact O-CB 3.37Å; Y266-Q270 WeakPolarHBondContact O-CG 3.1Å; Y266-Q270 PolarHBondContact O-N 3.39Å
267K89.6Confident80.5Confident109 Ų10991 Ų9147%0.47451%0.507SS..Hα-helixtrans-68.2-39.9177.5-71.7-175.9-143.9-49.60112.6D263 I264 Q270 A271D263-K267 VanDerWaalsContact O-CG 3.31Å; D263-K267 WeakPolarHBondContact O-CG 3.45Å; D263-K267 PolarHBondContact O-N 2.95Å; D263-K267 WeakPolarHBondContact OD1-CE 3.48Å; D263-K267 IonicContact OD1-NZ 3.56Å; D263-K267 PolarHBondContact OD1-NZ 3.48Å; D263-K267 WeakPolarHBondContact OD2-CE 3.43Å; D263-K267 IonicContact OD2-NZ 2.73Å; D263-K267 PolarHBondContact OD2-NZ 2.94Å; I264-K267 PolarHBondContact O-N 3.03Å; I264-K267 VanDerWaalsContact O-N 3.16Å; K267-Q270 PolarHBondContact O-N 3.03Å; K267-A271 WeakPolarHBondContact O-CB 3.32Å; K267-A271 PolarHBondContact O-N 3.44Å
268E89.8Confident78.2Confident132 Ų13294.6 Ų94.662%0.61753%0.533SS*.Hα-helixtrans-66.9-41.7177.4-169.9163.5-156.100110.7I264 A271 A272I264-E268 VanDerWaalsContact O-CB 3.31Å; I264-E268 WeakPolarHBondContact O-CB 3.47Å; I264-E268 PolarHBondContact O-N 2.82Å; E268-A271 PolarHBondContact O-N 3.34Å; E268-A272 WeakPolarHBondContact O-CB 3.27Å; E268-A272 PolarHBondContact O-N 2.78Å
269T89.9Confident75.9Confident55 Ų5598.1 Ų98.134%0.33755%0.552SS.*Hα-helixtrans-63.2-43.8172.3-55.50000111.8F265 A271 A272 L273F265-T269 VanDerWaalsContact O-CB 3.26Å; F265-T269 WeakPolarHBondContact O-CB 3.38Å; F265-T269 PolarHBondContact O-N 3.37Å; F265-T269 PolarHBondContact O-OG1 2.88Å; T269-A271 VanDerWaalsContact C-N 3.29Å; T269-A271 PolarHBondContact O-N 3.42Å; T269-A272 PolarHBondContact O-N 3.31Å; T269-L273 WeakPolarHBondContact O-CG 3.33Å; T269-L273 PolarHBondContact O-N 2.92Å
270Q83Confident73.7Confident121 Ų121100 Ų10057%0.56557%0.572SS**Hα-helixtrans-64.2-31.9176.2-76.3169.812.100112.8Y266 K267Y266-Q270 WeakPolarHBondContact O-CB 3.37Å; Y266-Q270 WeakPolarHBondContact O-CG 3.1Å; Y266-Q270 PolarHBondContact O-N 3.39Å; K267-Q270 PolarHBondContact O-N 3.03Å
271A76Confident71.1Confident87 Ų87100.8 Ų100.872%0.71960%0.595SS**Hα-helixtrans-79-21.9174.800000113.5K267 E268 T269K267-A271 WeakPolarHBondContact O-CB 3.32Å; K267-A271 PolarHBondContact O-N 3.44Å; E268-A271 PolarHBondContact O-N 3.34Å; T269-A271 VanDerWaalsContact C-N 3.29Å; T269-A271 PolarHBondContact O-N 3.42Å
272A71.9Confident68.4Low83 Ų83105.9 Ų105.969%0.68662%0.62SS**Hα-helixtrans-86.6-20.6175.600000113.4E268 T269E268-A272 WeakPolarHBondContact O-CB 3.27Å; E268-A272 PolarHBondContact O-N 2.78Å; T269-A272 PolarHBondContact O-N 3.31Å
273L72.2Confident65.4Low102 Ų102106 Ų10653%0.53464%0.641SS.*SBendtrans-74.7141.3171.8-72.9171.3000111T269 G275T269-L273 WeakPolarHBondContact O-CG 3.33Å; T269-L273 PolarHBondContact O-N 2.92Å; L273-G275 PolarHBondContact O-N 3.04Å
274P60.5Low62.7Low111 Ų111108.9 Ų108.972%0.72167%0.671SS**  trans-56122174.6-26.235.2000111.7A276P274-A276 PolarHBondContact O-N 3.04Å
275G56.2Low59.9Low80 Ų80109.9 Ų109.983%0.82570%0.697SS**THydrogen-bonded Turntrans-70.228.8-166.900000117.4L273L273-G275 PolarHBondContact O-N 3.04Å
276A46.8Very low57.1Low90 Ų90107.4 Ų107.474%0.74471%0.706SS**THydrogen-bonded Turntrans-88.3-17.7-176.500000114.6P274P274-A276 PolarHBondContact O-N 3.04Å
277L48.7Very low54.8Low162 Ų162110.3 Ų110.385%0.84872%0.724SS**SBendtrans-128.412.6-165.9-64.5177.4000115.6
278C42.3Very low52Low91 Ų91108.3 Ų108.362%0.61574%0.735SS**  trans-135.272.6-174-77.80000113.7
279N40.9Very low49.6Very low157 Ų157110.5 Ų110.584%0.8474%0.742SS**  trans-147.1105.3162.3-93.6-52.4000111G281N279-G281 PolarHBondContact O-N 3.3Å; N279-G281 VanDerWaalsContact O-N 3.15Å
280P46.8Very low47Very low137 Ų137113.6 Ų113.689%0.8976%0.763SS**  trans-75.898.1172.4-14.931000111.6
281G35.7Very low44.6Very low64 Ų64115.4 Ų115.466%0.6677%0.772SS**  trans84.299.4154.600000118.2N279N279-G281 PolarHBondContact O-N 3.3Å; N279-G281 VanDerWaalsContact O-N 3.15Å
282H33.3Very low42.5Very low203 Ų203117.2 Ų117.294%0.9478%0.778SS**  -151120128-101.1-65.4000108.5
283G28.5Very low41Very low81 Ų81119.4 Ų119.484%0.83579%0.788SS**  trans-92.3144.5-179.700000112.5
284A33.3Very low39.1Very low104 Ų104117.9 Ų117.986%0.8680%0.797SS**  trans-134.9134.3159.600000107.4
285G32.1Very low38Very low86 Ų86116.2 Ų116.289%0.88780%0.8SS**  trans-72.7156.5-178.200000112.9
286G32.3Very low37.7Very low70 Ų70119 Ų11972%0.72280%0.801SS**  trans169.285.2179.800000110.7
287E40.1Very low37.6Very low192 Ų192122.5 Ų122.590%0.89780%0.802SS**  trans-59.2134.3177.947.3-95.454.400113
288G32.3Very low37.2Very low67 Ų67121.4 Ų121.469%0.69180%0.796SS**  trans-179.186.4-18000000112.7P290G288-P290 WeakPolarHBondContact O-CD 3.36Å
289K39Very low37.1Very low178 Ų178124 Ų12477%0.77480%0.803SS**  trans-78.9119.4171.4-175.8-177.2179.7-174.60109.7E291K289-E291 IonicContact NZ-OE2 4Å; K289-E291 PolarHBondContact NZ-OE2 3.31Å
290P34.6Very low37.3Very low120 Ų120120.2 Ų120.278%0.77979%0.786SS**  trans-129.1160.5132.537.2-29.6000112.2G288G288-P290 WeakPolarHBondContact O-CD 3.36Å
291E33.8Very low37.3Very low158 Ų158119.3 Ų119.374%0.73878%0.78SS**  trans-105.1135.9-171.7-168.7160.786.600110.1K289K289-E291 IonicContact NZ-OE2 4Å; K289-E291 PolarHBondContact NZ-OE2 3.31Å
292C30.8Very low37.5Very low125 Ų125124 Ų12485%0.84578%0.784SS**  trans-157115.9169-165.40000111.7G294C292-G294 PolarHBondContact O-N 2.77Å
293S40.8Very low38.1Very low129 Ų129117.4 Ų117.490%0.90276%0.761SS**  trans-79.5110.1172.2-630000110.3
294G33.1Very low39.2Very low71 Ų71124.7 Ų124.773%0.73276%0.764SS**  trans-121.7131.8172.600000110.8C292C292-G294 PolarHBondContact O-N 2.77Å
295G37.3Very low39.8Very low76 Ų76123 Ų12378%0.78476%0.756SS**  trans-69.3155.9-172.100000114.7Q297G295-Q297 PolarHBondContact O-N 2.97Å
296V48.1Very low40.2Very low138 Ų138124.7 Ų124.784%0.83675%0.749SS**  trans-69.694.9172.8-179.30000109.3L298V296-L298 PolarHBondContact O-N 3.12Å
297Q44.7Very low40.3Very low164 Ų164125.9 Ų125.977%0.76674%0.744SS**  trans-73.298.7175.9-170.262.766.600109.9G295G295-Q297 PolarHBondContact O-N 2.97Å
298L40.5Very low40.7Very low138 Ų138125.2 Ų125.272%0.72375%0.746SS**  trans-60.2135.4167.3-65.5172.1000109.2V296 T300V296-L298 PolarHBondContact O-N 3.12Å; L298-T300 PolarHBondContact O-N 2.9Å
299L41.3Very low41Very low145 Ų145126.5 Ų126.576%0.75974%0.74SS**  trans-80.5110.3-179.6-68.5171.5000110.3
300T43.8Very low41Very low79 Ų79123.5 Ų123.549%0.48573%0.733SS.*  trans-71.6149169.222.40000111.5L298 E302 S303L298-T300 PolarHBondContact O-N 2.9Å; T300-E302 PolarHBondContact O-N 2.85Å; T300-S303 WeakPolarHBondContact O-CB 3.48Å; T300-S303 PolarHBondContact O-N 2.96Å; T300-S303 PolarHBondContact O-OG 3.07Å
301P47.5Very low41.1Very low117 Ų117126.5 Ų126.576%0.7674%0.741SS**G310 helixtrans-58.4-23.6-175.1-26.635.7000115.5S303P301-S303 PolarHBondContact O-N 3.47Å; P301-S303 VanDerWaalsContact O-N 3.12Å
302E40.1Very low41.6Very low162 Ų162129.6 Ų129.676%0.75775%0.746SS**G310 helixtrans-62.1-19.2-178.8-59.1170.6115.200113.2T300 W304 G305T300-E302 PolarHBondContact O-N 2.85Å; E302-W304 PolarHBondContact O-N 3.12Å; E302-G305 PolarHBondContact O-N 3.41Å
303S47Very low42.3Very low65 Ų65133.9 Ų133.946%0.45575%0.745SS.*G310 helixtrans-64-9.8-176.6-52.10000115T300 P301T300-S303 WeakPolarHBondContact O-CB 3.48Å; T300-S303 PolarHBondContact O-N 2.96Å; T300-S303 PolarHBondContact O-OG 3.07Å; P301-S303 PolarHBondContact O-N 3.47Å; P301-S303 VanDerWaalsContact O-N 3.12Å
304W49.7Very low41.7Very low235 Ų235137.1 Ų137.189%0.8974%0.743SS**G310 helixtrans-101-2.6-173.7-67.19.9000114.1E302E302-W304 PolarHBondContact O-N 3.12Å
305G47.7Very low41.5Very low67 Ų67137.9 Ų137.969%0.69174%0.742SS**  trans-90.9-13.6-170.600000117.4E302E302-G305 PolarHBondContact O-N 3.41Å
306T39.5Very low41.2Very low123 Ų123140.3 Ų140.376%0.75574%0.744SS**  trans-84.1124.1-163.6-32.50000113.5
307P35.4Very low40.2Very low95 Ų95139.1 Ų139.162%0.61774%0.742SS**  trans-69.6144179.527.3-34.3000113.2T309P307-T309 PolarHBondContact O-N 2.86Å
308L47.1Very low40Very low178 Ų178138 Ų13893%0.93275%0.748SS**THydrogen-bonded Turntrans-77.548.9-173-16384.5000113.8
309T39.8Very low39.3Very low93 Ų93135 Ų13557%0.57175%0.752SS**THydrogen-bonded Turntrans-114.6-35.1-174.546.30000115.3P307P307-T309 PolarHBondContact O-N 2.86Å
310D38.4Very low38.4Very low115 Ų115133.1 Ų133.162%0.61575%0.749SS**SBendtrans-100.4-13.3-162.6-73.9-81.4000116.3R312 R313D310-R312 PolarHBondContact O-N 3.23Å; D310-R313 PolarHBondContact O-N 3.05Å
311L37.4Very low37.7Very low183 Ų183137.3 Ų137.396%0.95876%0.763SS**THydrogen-bonded Turntrans-68.27.5172.6-89.8136.1000114.7
312R43.4Very low36.8Very low224 Ų224137.8 Ų137.885%0.84577%0.769SS**THydrogen-bonded Turntrans-103.17.3179.8-137.1-69.9-164.4174.42.6114D310D310-R312 PolarHBondContact O-N 3.23Å
313R45.4Very low36.2Very low215 Ų215133.8 Ų133.881%0.81177%0.772SS**SBendtrans-132.241-177.9-74.5-158-72.6-167.8-3.5117.2D310D310-R313 PolarHBondContact O-N 3.05Å
314K28.2Very low35.4Very low196 Ų196137.1 Ų137.185%0.85279%0.79SS**  trans-147.1131.8149.3-148.583.6174.1-164.60110.6
315A28.4Very low34.3Very low87 Ų87131.9 Ų131.972%0.71979%0.789SS**  trans-119.8122.7167.100000107.6
316P32.3Very low33.3Very low128 Ų128132.4 Ų132.483%0.83179%0.787SS**PPolyproline II helixtrans-76.7125.2169.8-12.328.9000110
317S27.7Very low32.8Very low113 Ų113134.1 Ų134.179%0.7979%0.79SS**PPolyproline II helixtrans-103.2148.3163.2-69.60000109.1
318P39Very low32.4Very low139 Ų139135.5 Ų135.590%0.90380%0.797SS**PPolyproline II helixtrans-76.8147.7-170.531-36000113
319G27.1Very low31.4Very low77 Ų77132.4 Ų132.479%0.79479%0.79SS**  trans-157.3116.4171.800000111.2
320C22.1Very low30.7Very low105 Ų105133.2 Ų133.271%0.70980%0.799SS**  trans-82.5166.6162.1-145.10000107
321H29.5Very low30.1Very low166 Ų166134.7 Ų134.777%0.76981%0.813SS**  cis-152.3162.628.6-53.6-106.1000112.5
322S28.6Very low29.6Very low127 Ų127130.7 Ų130.789%0.88880%0.8SS**  trans31.4119.5149.9-55.30000122
323G27.2Very low28.9Very low79 Ų79125.1 Ų125.181%0.81480%0.796SS**  trans-167.2124.3157.100000110.5
324T28.8Very low28.1Very low135 Ų135118.8 Ų118.883%0.82879%0.789SS**  trans-107.4148.5-167.249.80000114.3
325S27Very low28.2Very low124 Ų124116.2 Ų116.287%0.86779%0.79SS**  trans72146.1161.4-84.80000117.6
326A27.7Very low28.3Very low79 Ų79117.1 Ų117.165%0.65379%0.791SS**  cis-160.2174.4-9.400000113
327L27.8Very low28.9Very low158 Ų158117.2 Ų117.283%0.82779%0.792SS**  trans62.4102.9154.5-63.5174.9000120.8
328V28.1Very low28.9Very low124 Ų124117 Ų11775%0.75279%0.791SS**  19.3152.8128.7-56.60000123.4
329S25.4Very low28.6Very low114 Ų114119.1 Ų119.180%0.79779%0.788SS**  trans107.7116.7144.2-62.90000118.6
330S24.7Very low28.8Very low109 Ų109121.5 Ų121.576%0.76279%0.788SS**  trans-69153.3165.1-35.50000111.6
331T26Very low29Very low147 Ų147121.1 Ų121.190%0.90279%0.792SS**  -171.5169.4117.719.20000113.1
332S28.1Very low29Very low99 Ų99117.4 Ų117.469%0.69279%0.79SS**  trans-76.7166.3-163.9520000118
333S28.4Very low29Very low107 Ų107117.4 Ų117.475%0.74878%0.784SS**  trans82129131.458.70000123.2
334A28.3Very low28.8Very low82 Ų82119.3 Ų119.368%0.67878%0.784SS**  trans107.3125.3130.100000121.2
335T29.4Very low28.9Very low141 Ų141118.4 Ų118.487%0.86578%0.783SS**  trans67.2132.114447.20000122.3
336S30.7Very low29.9Very low106 Ų106118.1 Ų118.174%0.74178%0.778SS**  trans-74.8172.7167.3-39.80000112.7
337P45.2Very low30Very low131 Ų131119.1 Ų119.185%0.85178%0.78SS**  -135.8-174.995.538.4-26.9000114.3
338S28.9Very low30.1Very low109 Ų109116.7 Ų116.776%0.76278%0.777SS**  trans-110.7-168.6-173.5-59.40000113
339E31.6Very low30.5Very low182 Ų182115.4 Ų115.485%0.8577%0.773SS**  trans90.3143.9172.1-52.3-144.7119.200116.3
340T30.4Very low31Very low128 Ų128116.5 Ų116.579%0.78578%0.775SS**  cis-139.1174.32.514.90000112.1
341A28.1Very low31.4Very low96 Ų96117.1 Ų117.179%0.79378%0.779SS**  trans-92.7176.5177.400000113
342A29.3Very low32Very low89 Ų89114 Ų11474%0.73677%0.768SS**  cis-133.9-114.63.800000113
343V27Very low32.3Very low126 Ų126119.3 Ų119.376%0.76478%0.779SS**  cis-156.5165.24.4-144.70000110.6
344C24.9Very low32.6Very low120 Ų120121.9 Ų121.981%0.81178%0.783SS**  trans58.6108158.3-65.10000122.1
345S30Very low33.7Very low116 Ų116122.8 Ų122.881%0.81178%0.782SS**  trans-89.2-177139.2-66.10000109
346P48Very low33.8Very low118 Ų118122.8 Ų122.877%0.76678%0.782SS**  cis-150.9-163.822.539.7-14000118.3
347S28.7Very low34.2Very low99 Ų99123 Ų12369%0.69278%0.78SS**  trans99.9100.5146.9-62.70000123.1
348S31.7Very low33.5Very low107 Ų107128.4 Ų128.475%0.74878%0.784SS**  68.6123.9114.7-53.70000125.5
349S35.4Very low34Very low97 Ų97128.7 Ų128.768%0.67878%0.783SS**  90110.5123.562.10000125.4
350T36Very low33.8Very low137 Ų137127.4 Ų127.484%0.8478%0.777SS**  82.3154125.959.50000125.1
351S32.9Very low33.7Very low122 Ų122129.4 Ų129.485%0.85378%0.778SS**  trans100.9147.7155.3-158.30000118.6
352A39.8Very low33.7Very low81 Ų81130 Ų13067%0.66978%0.775SS**  cis-176.9150.6-43.300000111.1
353K32.5Very low34.5Very low211 Ų211130.9 Ų130.992%0.91777%0.774SS**  trans-174170.1150.1-107.8158.3-174.3175.60114.5
354I35.5Very low34.6Very low162 Ų162131.5 Ų131.583%0.83178%0.778SS**  trans-148.8-163-160.14.9172.8000109.9
355P50.7Low34.9Very low101 Ų101133.4 Ų133.466%0.65678%0.78SS**  -127.2179.1-61.438.7-23.4000113.7
356T31.9Very low35.4Very low141 Ų141133.5 Ų133.587%0.86578%0.777SS**  trans172.1163.5133.930.80000114.4
357P39.7Very low34.8Very low109 Ų109133.2 Ų133.271%0.70878%0.776SS**  trans-141.3153.5-158.141.3-22.2000121.3
358R29.9Very low35.5Very low245 Ų245134.4 Ų134.493%0.92578%0.781SS**  trans60.7-179.7154.8-65.3-178.1175.1179.4-1.1116.8
359P40.3Very low35.7Very low115 Ų115134.8 Ų134.875%0.74778%0.781SS**  cis-134.4-179.7-744.4-27.8000117.4
360H27.6Very low35.6Very low155 Ų155135.8 Ų135.872%0.71878%0.783SS**  trans77.5149.3142.1-130.6-126.8000125.8
361E27.2Very low35.7Very low171 Ų171135.4 Ų135.480%0.79978%0.782SS**  trans70.6167.7155.5-100.5150177.200124.6
362S28.2Very low35.7Very low107 Ų107137.1 Ų137.175%0.74878%0.781SS**  trans-164.3173.9-155.1-1720000109.1
363P45.6Very low35.5Very low109 Ų109141.8 Ų141.871%0.70879%0.789SS**  cis-122.3-177.8-13.440-25.8000113.3
364T29.6Very low35.7Very low139 Ų139137.5 Ų137.585%0.85378%0.783SS**  trans179.1157.3144.4-80.90000112
365L32.2Very low35.9Very low160 Ų160135.9 Ų135.984%0.83878%0.782SS**  trans-112.1173.4-177.5-63169.8000112
366P40.8Very low35.4Very low118 Ų118138.4 Ų138.477%0.76680%0.795SS**  cis-110-112.8-14.640-22.8000108.4
367P34.9Very low36.1Very low112 Ų112134.9 Ų134.973%0.72779%0.787SS**  cis-108.7169-23.141-29.8000114.3
368P43.5Very low36Very low124 Ų124136 Ų13681%0.80579%0.792SS**  trans-105.8144.4-18037.9-31.8000115.5
369P35Very low36.5Very low115 Ų115130.3 Ų130.375%0.74779%0.787SS**  trans-137.3130.1149.232.8-16.2000115.3
370V34.8Very low36.6Very low118 Ų118129.6 Ų129.672%0.71578%0.784SS**  trans39.5117.6148.4-161.80000120.3L372V370-L372 PolarHBondContact O-N 3.06Å
371P37.2Very low38.1Very low129 Ų129126.2 Ų126.284%0.83879%0.792SS**  trans-66.1115.9159.5-18.132.4000112.1
372L33.8Very low39.8Very low158 Ų158122 Ų12283%0.82778%0.781SS**PPolyproline II helixtrans-74.8165.6173-74.9160.3000112.1V370V370-L372 PolarHBondContact O-N 3.06Å
373H35.6Very low41.9Very low179 Ų179120 Ų12083%0.82977%0.766SS**PPolyproline II helixtrans-59143.3175.5-72.9-162.6000112.6
374P36.6Very low43.4Very low121 Ų121119 Ų11979%0.78676%0.759SS**PPolyproline II helixtrans-62.1142.5155.9-19.333000111
375P38.8Very low46Very low127 Ų127117.2 Ų117.283%0.82574%0.742SS**PPolyproline II helixtrans-81.7160.6-16932.5-36.8000114.4
376V40.8Very low48.6Very low154 Ų154111 Ų11193%0.93371%0.711SS**SBendtrans-75.7135.6166.4177.20000109.5
377G47Very low50.7Low67 Ų67112.2 Ų112.269%0.69171%0.708SS**  trans134.246.1153.400000120.4
378V37.5Very low52.8Low132 Ų132108.2 Ų108.280%0.868%0.682SS**  trans-141125.4155.6-167.80000110.9S380V378-S380 PolarHBondContact O-N 2.97Å
379P40Very low54.3Low127 Ų127109.1 Ų109.183%0.82569%0.687SS**  trans-85.492.1169.833.1-31000110.7G381P379-G381 PolarHBondContact O-N 3.09Å; P379-G381 VanDerWaalsContact O-N 3.09Å
380S41.4Very low56.3Low99 Ų99115.1 Ų115.169%0.69270%0.695SS**  trans-77.393.4172.9-168.70000110.5V378 S382V378-S380 PolarHBondContact O-N 2.97Å; S380-S382 PolarHBondContact O-N 2.97Å
381G60.2Low58.7Low85 Ų85110.8 Ų110.888%0.87668%0.675SS**  trans-76.826-172.800000116.8P379P379-G381 PolarHBondContact O-N 3.09Å; P379-G381 VanDerWaalsContact O-N 3.09Å
382S61.7Low60.9Low83 Ų83108.8 Ų108.858%0.5866%0.662SS**  trans-116.5129.7-178.349.40000111.9S380S380-S382 PolarHBondContact O-N 2.97Å
383P73.7Confident63.1Low65 Ų65103.8 Ų103.842%0.42264%0.635SS.*  trans-67.5140.9171.629-33.7000109.7P394P383-P394 HydrophobicContact CB-CB 4.37Å; P383-P394 HydrophobicContact CG-CB 4.04Å; P383-P394 HydrophobicContact CG-CG 4.45Å
384P76.4Confident65.7Low88 Ų8896.9 Ų96.957%0.57161%0.605SS**  trans-62.3140.5-179.623.7-32.5000111.3L395P384-L395 HydrophobicContact CB-CD1 4.08Å; P384-L395 HydrophobicContact CG-CB 4.28Å; P384-L395 HydrophobicContact CG-CD1 3.81Å; P384-L395 WeakPolarHBondContact O-CB 3.32Å; P384-L395 PolarHBondContact O-N 2.85Å
385M84.2Confident67.7Low100 Ų10094.6 Ų94.649%0.49359%0.586SS.*EExtended strand (participates in β ladder)trans-104141.5-170-60.5-69.9-78.900112P392 P394M385-P392 HydrophobicContact CE-CB 3.67Å; M385-P394 HydrophobicContact CE-CG 4.31Å; M385-P394 HydrophobicContact SD-CB 4.11Å; M385-P394 HydrophobicContact SD-CG 3.72Å
386V87.4Confident69.8Low31 Ų3192 Ų9219%0.18857%0.57CS.*EExtended strand (participates in β ladder)trans-103.1137171.9-170.60000109T388 P392 M393 L395 F398V386-T388 PolarHBondContact O-N 3.05Å; V386-P392 CarbonylContact O-C 3.6Å; V386-P392 WeakPolarHBondContact O-CA 3.42Å; V386-M393 PolarHBondContact N-O 3.47Å; V386-M393 PolarHBondContact O-N 3.1Å; V386-L395 HydrophobicContact CG2-CB 4.33Å; V386-L395 HydrophobicContact CG2-CD2 3.54Å; V386-L395 HydrophobicContact CG2-CG 3.52Å; V386-F398 HydrophobicContact CB-CB 4.42Å; V386-F398 HydrophobicContact CB-CD1 4.44Å; V386-F398 HydrophobicContact CB-CG 4.21Å; V386-F398 HydrophobicContact CG1-CD1 4.23Å; V386-F398 HydrophobicContact CG1-CD2 4.28Å; V386-F398 HydrophobicContact CG1-CE1 4.26Å; V386-F398 HydrophobicContact CG1-CE2 4.31Å; V386-F398 HydrophobicContact CG1-CG 4.23Å; V386-F398 HydrophobicContact CG1-CZ 4.29Å; V386-F398 HydrophobicContact CG2-CB 4.04Å; V386-F398 HydrophobicContact CG2-CD1 3.93Å; V386-F398 HydrophobicContact CG2-CG 3.99Å
387M83.6Confident71.6Confident142 Ų14288.9 Ų88.970%0.755%0.547SS*.EExtended strand (participates in β ladder)trans-80.2116.2165.5-66-58.7139.800109.7P392M387-P392 HydrophobicContact CE-CB 3.79Å; M387-P392 HydrophobicContact CE-CG 3.84Å; M387-P392 HydrophobicContact SD-CB 4.14Å; M387-P392 HydrophobicContact SD-CG 3.87Å
388T79.6Confident73.3Confident29 Ų2988.7 Ų88.718%0.17853%0.527CS..EExtended strand (participates in β ladder)trans-103.4162.1170.277.30000109.2V386 R390 G391 M393 F398V386-T388 PolarHBondContact O-N 3.05Å; T388-R390 PolarHBondContact O-N 3.24Å; T388-R390 PolarHBondContact OG1-N 3.04Å; T388-R390 VanDerWaalsContact OG1-N 3.12Å; T388-G391 PolarHBondContact N-O 3.03Å; T388-G391 PolarHBondContact O-N 2.96Å; T388-G391 PolarHBondContact OG1-N 2.78Å; T388-G391 PolarHBondContact OG1-O 3.1Å; T388-M393 HydrophobicContact CG2-CB 3.81Å; T388-M393 HydrophobicContact CG2-SD 4.2Å; T388-F398 HydrophobicContact CG2-CD2 3.73Å; T388-F398 HydrophobicContact CG2-CE2 4.01Å
389P74.3Confident75.4Confident142 Ų14288.6 Ų88.692%0.92252%0.52SS*.THydrogen-bonded Turntrans-664.6169.928-35.9000114.2
390R78.1Confident77.4Confident242 Ų24287.4 Ų87.491%0.91350%0.503SS*.THydrogen-bonded Turntrans-111.46.3168-80.4-179157.278.71.1113.3T388T388-R390 PolarHBondContact O-N 3.24Å; T388-R390 PolarHBondContact OG1-N 3.04Å; T388-R390 VanDerWaalsContact OG1-N 3.12Å
391G85.1Confident79.2Confident27 Ų2787.3 Ų87.328%0.27849%0.492SS..EExtended strand (participates in β ladder)trans110.5-172.1-179.600000114.5T388T388-G391 PolarHBondContact N-O 3.03Å; T388-G391 PolarHBondContact O-N 2.96Å; T388-G391 PolarHBondContact OG1-N 2.78Å; T388-G391 PolarHBondContact OG1-O 3.1Å
392P82.8Confident79.8Confident87 Ų8787.8 Ų87.857%0.56547%0.471SS*.EExtended strand (participates in β ladder)trans-66.7129.8179.7-16.830.4000112M385 V386 M387M385-P392 HydrophobicContact CE-CB 3.67Å; V386-P392 CarbonylContact O-C 3.6Å; V386-P392 WeakPolarHBondContact O-CA 3.42Å; M387-P392 HydrophobicContact CE-CB 3.79Å; M387-P392 HydrophobicContact CE-CG 3.84Å; M387-P392 HydrophobicContact SD-CB 4.14Å; M387-P392 HydrophobicContact SD-CG 3.87Å
393M81.5Confident80.2Confident53 Ų5388.7 Ų88.726%0.26147%0.467SS..EExtended strand (participates in β ladder)trans-135.5133.7-179.5-169.8177.9-169.600110.9V386 T388 L395 L397 F398 H401V386-M393 PolarHBondContact N-O 3.47Å; V386-M393 PolarHBondContact O-N 3.1Å; T388-M393 HydrophobicContact CG2-CB 3.81Å; T388-M393 HydrophobicContact CG2-SD 4.2Å; M393-L395 PolarHBondContact O-N 3.32Å; M393-L397 HydrophobicContact CE-CB 3.87Å; M393-L397 HydrophobicContact CG-CB 4.44Å; M393-F398 HydrophobicContact CG-CB 4.39Å; M393-F398 HydrophobicContact SD-CB 4.18Å; M393-F398 HydrophobicContact SD-CD2 4.4Å; M393-H401 HydrophobicContact CE-CB 4.21Å
394P88.3Confident80Confident33 Ų3390.9 Ų90.921%0.21447%0.473CS..EExtended strand (participates in β ladder)trans-57.3137.1177.5-2634.2000112.8P383 M385 P396 L397 F398P383-P394 HydrophobicContact CB-CB 4.37Å; P383-P394 HydrophobicContact CG-CB 4.04Å; P383-P394 HydrophobicContact CG-CG 4.45Å; M385-P394 HydrophobicContact CE-CG 4.31Å; M385-P394 HydrophobicContact SD-CB 4.11Å; M385-P394 HydrophobicContact SD-CG 3.72Å; P394-P396 VanDerWaalsContact C-CD 3.46Å; P394-P396 VanDerWaalsContact C-N 3.34Å; P394-L397 HydrophobicContact CB-CD1 4.36Å; P394-L397 HydrophobicContact CB-CG 4.34Å; P394-L397 HydrophobicContact CG-CD1 4.07Å; P394-L397 PolarHBondContact O-N 2.94Å; P394-F398 PolarHBondContact O-N 3.02Å
395L79Confident79.4Confident74 Ų7492.6 Ų92.639%0.38747%0.474SS..Hα-helixtrans-49.8-44.2179.3-108.3173.3000114P384 V386 M393 L397 F398 M399P384-L395 HydrophobicContact CB-CD1 4.08Å; P384-L395 HydrophobicContact CG-CB 4.28Å; P384-L395 HydrophobicContact CG-CD1 3.81Å; P384-L395 WeakPolarHBondContact O-CB 3.32Å; P384-L395 PolarHBondContact O-N 2.85Å; V386-L395 HydrophobicContact CG2-CB 4.33Å; V386-L395 HydrophobicContact CG2-CD2 3.54Å; V386-L395 HydrophobicContact CG2-CG 3.52Å; M393-L395 PolarHBondContact O-N 3.32Å; L395-L397 PolarHBondContact O-N 3.38Å; L395-F398 PolarHBondContact O-N 3.25Å; L395-M399 VanDerWaalsContact O-CB 3.27Å; L395-M399 WeakPolarHBondContact O-CB 3.37Å; L395-M399 PolarHBondContact O-N 3.38Å
396P83.8Confident78.1Confident73 Ų7395 Ų9547%0.47448%0.484SS..Hα-helixtrans-58.6-45176.9-25.735.7000112.6P394 M399 E400P394-P396 VanDerWaalsContact C-CD 3.46Å; P394-P396 VanDerWaalsContact C-N 3.34Å; P396-M399 PolarHBondContact O-N 3.04Å; P396-E400 WeakPolarHBondContact O-CB 3.17Å; P396-E400 PolarHBondContact O-N 3.17Å
397L78Confident76.4Confident87 Ų8799.5 Ų99.546%0.45551%0.505SS..Hα-helixtrans-72.7-36.4-179.6-59.4-179.3000112M393 P394 L395 E400 H401M393-L397 HydrophobicContact CE-CB 3.87Å; M393-L397 HydrophobicContact CG-CB 4.44Å; P394-L397 HydrophobicContact CB-CD1 4.36Å; P394-L397 HydrophobicContact CB-CG 4.34Å; P394-L397 HydrophobicContact CG-CD1 4.07Å; P394-L397 PolarHBondContact O-N 2.94Å; L395-L397 PolarHBondContact O-N 3.38Å; L397-E400 PolarHBondContact O-N 3.12Å; L397-H401 WeakPolarHBondContact O-CB 3.47Å; L397-H401 PolarHBondContact O-N 2.97Å
398F83.3Confident74.8Confident64 Ų64102.7 Ų102.728%0.28151%0.51SS..Hα-helixtrans-62.9-43.2173.3176.1-101.1000111.4V386 T388 M393 P394 L395 H401 Q402V386-F398 HydrophobicContact CB-CB 4.42Å; V386-F398 HydrophobicContact CB-CD1 4.44Å; V386-F398 HydrophobicContact CB-CG 4.21Å; V386-F398 HydrophobicContact CG1-CD1 4.23Å; V386-F398 HydrophobicContact CG1-CD2 4.28Å; V386-F398 HydrophobicContact CG1-CE1 4.26Å; V386-F398 HydrophobicContact CG1-CE2 4.31Å; V386-F398 HydrophobicContact CG1-CG 4.23Å; V386-F398 HydrophobicContact CG1-CZ 4.29Å; V386-F398 HydrophobicContact CG2-CB 4.04Å; V386-F398 HydrophobicContact CG2-CD1 3.93Å; V386-F398 HydrophobicContact CG2-CG 3.99Å; T388-F398 HydrophobicContact CG2-CD2 3.73Å; T388-F398 HydrophobicContact CG2-CE2 4.01Å; M393-F398 HydrophobicContact CG-CB 4.39Å; M393-F398 HydrophobicContact SD-CB 4.18Å; M393-F398 HydrophobicContact SD-CD2 4.4Å; P394-F398 PolarHBondContact O-N 3.02Å; L395-F398 PolarHBondContact O-N 3.25Å; F398-H401 PolarHBondContact O-N 2.78Å; F398-Q402 HydrophobicContact CD1-CG 4.41Å; F398-Q402 HydrophobicContact CE1-CG 4.06Å; F398-Q402 HydrophobicContact CZ-CG 4.17Å; F398-Q402 WeakPolarHBondContact O-CB 3.28Å; F398-Q402 WeakPolarHBondContact O-CG 3.31Å; F398-Q402 PolarHBondContact O-N 2.8Å
399M81.9Confident72.9Confident130 Ų130105.4 Ų105.464%0.6453%0.528SS*.Hα-helixtrans-71.4-33.7179.1-163.5163.262.800112L395 P396 Q402 M403L395-M399 VanDerWaalsContact O-CB 3.27Å; L395-M399 WeakPolarHBondContact O-CB 3.37Å; L395-M399 PolarHBondContact O-N 3.38Å; P396-M399 PolarHBondContact O-N 3.04Å; M399-Q402 WeakPolarHBondContact O-CB 3.33Å; M399-M403 PolarHBondContact O-N 3.06Å; M399-M403 VanDerWaalsContact O-N 3.11Å
400E81.7Confident71.2Confident102 Ų102104.8 Ų104.848%0.47752%0.524SS..Hα-helixtrans-63.3-47.6168.5177.8159.192.300112.1P396 L397 Q402 M403 M404P396-E400 WeakPolarHBondContact O-CB 3.17Å; P396-E400 PolarHBondContact O-N 3.17Å; L397-E400 PolarHBondContact O-N 3.12Å; E400-Q402 VanDerWaalsContact C-N 3.3Å; E400-Q402 PolarHBondContact O-N 3.36Å; E400-M403 HydrophobicContact CB-CE 4.08Å; E400-M403 HydrophobicContact CG-CE 3.8Å; E400-M403 WeakPolarHBondContact O-CG 3.31Å; E400-M403 PolarHBondContact O-N 2.72Å; E400-M404 WeakPolarHBondContact O-CB 3.45Å; E400-M404 PolarHBondContact O-N 3.29Å
401H78Confident69.4Low97 Ų97101.7 Ų101.745%0.44952%0.517SS..Hα-helixtrans-65.4-35.2-180-15396.2000111.9M393 L397 F398 M404 Q405M393-H401 HydrophobicContact CE-CB 4.21Å; L397-H401 WeakPolarHBondContact O-CB 3.47Å; L397-H401 PolarHBondContact O-N 2.97Å; F398-H401 PolarHBondContact O-N 2.78Å; H401-M404 PolarHBondContact O-N 3.31Å; H401-Q405 PolarHBondContact CD2-NE2 3.26Å; H401-Q405 PolarHBondContact NE2-NE2 3.03Å; H401-Q405 WeakPolarHBondContact O-CG 3.4Å; H401-Q405 PolarHBondContact O-N 3.25Å
402Q73.8Confident67.2Low94 Ų94107.7 Ų107.744%0.43954%0.542SS..Hα-helixtrans-57.7-52.5168.9-80.9-82.7-17.200112.1F398 M399 E400 M404 Q405 Q406F398-Q402 HydrophobicContact CD1-CG 4.41Å; F398-Q402 HydrophobicContact CE1-CG 4.06Å; F398-Q402 HydrophobicContact CZ-CG 4.17Å; F398-Q402 WeakPolarHBondContact O-CB 3.28Å; F398-Q402 WeakPolarHBondContact O-CG 3.31Å; F398-Q402 PolarHBondContact O-N 2.8Å; M399-Q402 WeakPolarHBondContact O-CB 3.33Å; E400-Q402 VanDerWaalsContact C-N 3.3Å; E400-Q402 PolarHBondContact O-N 3.36Å; Q402-M404 VanDerWaalsContact C-N 3.33Å; Q402-M404 PolarHBondContact O-N 3.45Å; Q402-Q405 PolarHBondContact O-N 2.87Å; Q402-Q406 WeakPolarHBondContact O-CG 3.34Å; Q402-Q406 PolarHBondContact O-N 3.23Å
403M70.3Confident64.9Low103 Ų103115 Ų11551%0.50756%0.558SS.*Hα-helixtrans-66.9-34.1179.564.8171.9-176.700112.5M399 E400 Q406 I407M399-M403 PolarHBondContact O-N 3.06Å; M399-M403 VanDerWaalsContact O-N 3.11Å; E400-M403 HydrophobicContact CB-CE 4.08Å; E400-M403 HydrophobicContact CG-CE 3.8Å; E400-M403 WeakPolarHBondContact O-CG 3.31Å; E400-M403 PolarHBondContact O-N 2.72Å; M403-Q406 PolarHBondContact O-N 2.92Å; M403-I407 WeakPolarHBondContact O-CD1 3.33Å; M403-I407 WeakPolarHBondContact O-CG1 3.45Å
404M68.6Low62.6Low111 Ų111118.4 Ų118.455%0.54759%0.585SS.*Hα-helixtrans-67.6-41.2177.5-160.3102.9-50.500112.3E400 H401 Q402 Q406 I407E400-M404 WeakPolarHBondContact O-CB 3.45Å; E400-M404 PolarHBondContact O-N 3.29Å; H401-M404 PolarHBondContact O-N 3.31Å; Q402-M404 VanDerWaalsContact C-N 3.33Å; Q402-M404 PolarHBondContact O-N 3.45Å; M404-Q406 VanDerWaalsContact C-N 3.33Å; M404-Q406 PolarHBondContact O-N 3.21Å; M404-I407 HydrophobicContact CE-CD1 4.32Å; M404-I407 PolarHBondContact O-N 3.41Å
405Q64.3Low59.8Low124 Ų124122.6 Ų122.658%0.57961%0.614SS**Hα-helixtrans-66.9-33176.9-73-166.713.600112.6H401 Q402 I407 R408H401-Q405 PolarHBondContact CD2-NE2 3.26Å; H401-Q405 PolarHBondContact NE2-NE2 3.03Å; H401-Q405 WeakPolarHBondContact O-CG 3.4Å; H401-Q405 PolarHBondContact O-N 3.25Å; Q402-Q405 PolarHBondContact O-N 2.87Å; Q405-I407 PolarHBondContact O-N 3.38Å; Q405-R408 PolarHBondContact O-N 3.23Å
406Q56.9Low57.6Low150 Ų150122.8 Ų122.870%0.70163%0.627SS**THydrogen-bonded Turntrans-70.3-5.4175.3-68-173.627.300114.5Q402 M403 M404Q402-Q406 WeakPolarHBondContact O-CG 3.34Å; Q402-Q406 PolarHBondContact O-N 3.23Å; M403-Q406 PolarHBondContact O-N 2.92Å; M404-Q406 VanDerWaalsContact C-N 3.33Å; M404-Q406 PolarHBondContact O-N 3.21Å
407I51.3Low55.3Low126 Ų126128.3 Ų128.365%0.64665%0.646SS**THydrogen-bonded Turntrans-96.6-15.8179.4-68.6165.4000112.4M403 M404 Q405M403-I407 WeakPolarHBondContact O-CD1 3.33Å; M403-I407 WeakPolarHBondContact O-CG1 3.45Å; M404-I407 HydrophobicContact CE-CD1 4.32Å; M404-I407 PolarHBondContact O-N 3.41Å; Q405-I407 PolarHBondContact O-N 3.38Å
408R50.3Low53.4Low209 Ų209129.9 Ų129.979%0.78966%0.661SS**SBendtrans-75.1132.1171.7-82.9-173.8170.6132.3-1.2111.2Q405Q405-R408 PolarHBondContact O-N 3.23Å
409P39.3Very low50.9Low85 Ų85130.8 Ų130.855%0.55269%0.689SS**  trans-71.3139.1174.229.2-34.1000111.2F411P409-F411 HydrophobicContact CB-CD2 4.25Å; P409-F411 HydrophobicContact CB-CE2 4.01Å; P409-F411 HydrophobicContact CG-CD2 3.84Å; P409-F411 HydrophobicContact CG-CE2 3.53Å; P409-F411 PolarHBondContact O-N 3.37Å
410P39.8Very low48.3Very low130 Ų130128.2 Ų128.284%0.84470%0.696SS**  trans-78.487.417731.8-34.4000110.8L412P410-L412 PolarHBondContact O-N 2.81Å
411F39Very low46.5Very low176 Ų176128.7 Ų128.777%0.77271%0.708SS**  trans-78.7102.3170.8-78.9-68.7000111.2P409P409-F411 HydrophobicContact CB-CD2 4.25Å; P409-F411 HydrophobicContact CB-CE2 4.01Å; P409-F411 HydrophobicContact CG-CD2 3.84Å; P409-F411 HydrophobicContact CG-CE2 3.53Å; P409-F411 PolarHBondContact O-N 3.37Å
412L38.6Very low44.2Very low154 Ų154131.5 Ų131.581%0.80673%0.726SS**  trans30.8101.7151.8-56.8179.6000117.4P410 P414P410-L412 PolarHBondContact O-N 2.81Å; L412-P414 WeakPolarHBondContact O-CD 3.48Å
413R35.2Very low42.3Very low240 Ų240132.2 Ų132.291%0.90674%0.741SS**  trans-67.1125.3159.6-169.7-174.9-153.6145.83.6109.2
414P33Very low41.1Very low125 Ų125132.4 Ų132.481%0.81275%0.75SS**  trans-66.1141.7170.8-18.932.2000110.9L412L412-P414 WeakPolarHBondContact O-CD 3.48Å
415S29.4Very low39.4Very low120 Ų120134.3 Ų134.384%0.83976%0.762SS**  trans-132.8142.6161.4-170.40000107.9
416A34.4Very low37.8Very low79 Ų79133.4 Ų133.465%0.65377%0.769SS**  trans-72.1154.4-169.800000113.2
417H34.8Very low36.5Very low188 Ų188133.8 Ų133.887%0.8778%0.776SS**  -173.7165.6123-88.9-54.1000109.7
418P36.8Very low36.2Very low120 Ų120132.3 Ų132.378%0.77978%0.775SS**  trans-112.6159.5-142.740.3-35.7000118.2
419G31.3Very low35.4Very low83 Ų83129.3 Ų129.386%0.85677%0.773SS**  trans80.9142.2168.200000115
420G28.5Very low35.2Very low76 Ų76131.8 Ų131.878%0.78478%0.78SS**  cis111.3142.46.100000111.9
421P42.6Very low34.9Very low113 Ų113132.2 Ų132.273%0.73478%0.783SS**  cis-126.4-157.65.640.1-21.5000113.9
422N30.8Very low35Very low156 Ų156126.8 Ų126.883%0.83478%0.776SS**  trans78.490.3166.4-55.3-22.7000118.5
423S33.8Very low34.8Very low108 Ų108127.7 Ų127.776%0.75578%0.78SS**  trans-104163.1148.3-173.20000108.5
424P44.4Very low35.3Very low108 Ų108118.8 Ų118.870%0.70176%0.763SS**  -146.9155.8102.838.4-23.8000115.8
425L33.7Very low35.7Very low151 Ų151118.9 Ų118.979%0.79176%0.764SS**  trans62.8111.6154.7-62.1162.3000117
426S30.7Very low36.4Very low105 Ų105118.9 Ų118.973%0.73476%0.761SS**  96.4101.265.1-76.10000113.8
427N29Very low37Very low158 Ų158120.7 Ų120.785%0.84577%0.766SS**  22.4156.4128.7-99.8-8.3000121.6
428P45.1Very low37.6Very low95 Ų95117.4 Ų117.462%0.61776%0.761SS**  cis-145.6-178.1-5.942-22000116.8
429I33.6Very low37.9Very low146 Ų146117.3 Ų117.375%0.74976%0.761SS**  trans70.6134.8136.8-97.1164.7000123.6
430I35Very low38Very low137 Ų137124.4 Ų124.470%0.70376%0.762SS**  trans50.3106.6156.5-58.9168000118.7G432I430-G432 PolarHBondContact O-N 2.85Å
431P34.3Very low38.4Very low138 Ų138126.4 Ų126.490%0.89676%0.759SS**  trans-71.5121.7157-9.126.2000110.1
432G40.3Very low38Very low62 Ų62129.6 Ų129.664%0.63977%0.769SS**  trans-166.4-20.8-176.700000118.1I430I430-G432 PolarHBondContact O-N 2.85Å
433I34.1Very low38.1Very low174 Ų174125.8 Ų125.889%0.89277%0.766SS**SBendtrans-146.8148.6172.1-83.9115.2000107.9
434G44.9Very low38.4Very low53 Ų53126.9 Ų126.955%0.54677%0.771SS.*PPolyproline II helixtrans-75.4167.1175.500000113.4
435P43.1Very low37.7Very low126 Ų126126.1 Ų126.182%0.81877%0.773SS**PPolyproline II helixtrans-65.5141.3-173.727.3-35.2000112.9
436P42.6Very low37.6Very low120 Ų120124.2 Ų124.278%0.77977%0.773SS**PPolyproline II helixtrans-75.8145.8174.431.7-34.6000111.8
437P46.9Very low37.6Very low117 Ų117124.7 Ų124.776%0.7678%0.776SS**PPolyproline II helixtrans-80.6156.517533.3-35.2000112.7
438P47.1Very low38.7Very low120 Ų120122.5 Ų122.578%0.77977%0.771SS**PPolyproline II helixtrans-73.2159173.231.8-35.2000112.4
439P44.6Very low37.9Very low117 Ų117125.6 Ų125.676%0.7678%0.779SS**PPolyproline II helixtrans-91.9141.3-161.734.1-36000115.3
440R33.8Very low38Very low233 Ų233126.3 Ų126.388%0.87978%0.778SS**  trans-169.7122.9140.4-109.1159.5-178.9127.90.2114
441T35.9Very low38Very low117 Ų117129.8 Ų129.872%0.71878%0.783SS**  trans31.2129.7137.956.50000122.2
442L35.1Very low38.1Very low181 Ų181129 Ų12995%0.94878%0.778SS**  trans75.8135.7153.6-59.5160.2000118.7
443G32.1Very low37.9Very low76 Ų76133.1 Ų133.178%0.78479%0.785SS**  trans124.3127.2166.400000115.9
444P41.2Very low38.1Very low130 Ų130132.7 Ų132.784%0.84478%0.783SS**  trans-114.6167.3-179.540.4-33.1000116.8
445A29.1Very low37.4Very low92 Ų92135.6 Ų135.676%0.7680%0.795SS**  trans94.4147.7147.800000123.4
446S31.4Very low37.9Very low111 Ų111135.4 Ų135.478%0.77679%0.794SS**  trans6796.9155.542.40000123.5
447S31Very low37.4Very low115 Ų115138.1 Ų138.180%0.80480%0.796SS**  7.9167.1102.6-66.80000121.2
448P51.1Low36.8Very low113 Ų113137.2 Ų137.273%0.73479%0.788SS**  cis-145.9-174.6-23.136.4-14.2000117.2
449M29.8Very low36Very low159 Ų159138.3 Ų138.378%0.78378%0.782SS**  trans69.2166.1160.9-48.5-157.287.500118.2
450H34.2Very low35.4Very low161 Ų161140.4 Ų140.475%0.74578%0.782SS**  cis-144.5176.73.7-153.5-83000111.7
451R34.8Very low35.3Very low210 Ų210133.8 Ų133.879%0.79277%0.771SS**  trans-132.8147.2176.9-162.7-176.5-160.1156.35.7112.3
452P37.7Very low35.3Very low122 Ų122133.6 Ų133.679%0.79277%0.774SS**  trans-143.3-148.913534.2-14.6000114.3
453L36.5Very low35Very low149 Ų149132.6 Ų132.678%0.7877%0.77SS**  trans-145.4155.9-147.4-70.9169.8000117.4
454L36.5Very low36Very low165 Ų165134.6 Ų134.686%0.86477%0.769SS**  trans82.8169.5152.1-69.2157.6000121.9
455S30.7Very low35.5Very low113 Ų113135.6 Ų135.679%0.7977%0.767SS**  trans-140-166-161.5-41.30000111.3
456P53.7Low36.4Very low122 Ų122136.6 Ų136.679%0.79277%0.766SS**  cis-149.8-163.815.345.7-22.9000120
457H31.8Very low36.4Very low178 Ų178134.5 Ų134.582%0.82476%0.762SS**  trans88.6158.3160.6-124.828.6000119
458V34.3Very low36.7Very low98 Ų98137.2 Ų137.259%0.59476%0.764SS**  cis-133.8-131.86-152.80000111.8
459H31.8Very low36.2Very low143 Ų143138.7 Ų138.766%0.66276%0.764SS**  cis-163.5149.4-6.8-109-51.9000112.2
460H30.9Very low37.4Very low161 Ų161136.3 Ų136.375%0.74576%0.761SS**  trans42.1165.2146-63-38.4000126.3
461S31.9Very low38.3Very low94 Ų94133.8 Ų133.866%0.65776%0.759SS**  cis-173.4146.8-28.4-860000116.8
462S35.7Very low38.4Very low112 Ų112132.6 Ų132.678%0.78376%0.761SS**  trans67.7111.5136.867.30000130
463N29.2Very low38.6Very low161 Ų161133 Ų13386%0.86176%0.764SS**  trans60.3167.5130.4-116.817.2000123.8
464P51.9Low38.3Very low117 Ų117129.6 Ų129.676%0.7677%0.765SS**  cis-134.4-156.1-0.144.2-23.7000117.9
465N31.5Very low38.4Very low152 Ų152128.4 Ų128.481%0.81376%0.758SS**  trans-116.1-164.4-165-144-0.7000112
466P47.1Very low38.5Very low112 Ų112129.1 Ų129.173%0.72776%0.761SS**  cis-141.9175.3-18.843.2-24.3000118.8
467G32.8Very low37.7Very low67 Ų67127 Ų12769%0.69174%0.742SS**  trans100.9156.9153.200000119.1
468M36.6Very low38.2Very low172 Ų172122 Ų12285%0.84773%0.725SS**  cis-166.7146.53-109.6-76.89000114.7
469I42Very low37.9Very low144 Ų144120.8 Ų120.874%0.73873%0.732SS**  trans73.5171.6160.7-0.3-175.8000121.2
470P54.4Low38.1Very low110 Ų110122.2 Ų122.271%0.71474%0.744SS**  -112-153.7-109.343.4-23.7000113.7
471P53.3Low39.2Very low108 Ų108120.1 Ų120.170%0.70175%0.745SS**  cis-139.6-149.6144.8-22.7000116.3
472H36.4Very low39.6Very low184 Ų184120.9 Ų120.985%0.85275%0.748SS**  trans-138.5166.3178.4-48.3-64.1000111.1
473P40.7Very low39.4Very low132 Ų132125 Ų12586%0.85775%0.752SS**  -152.4160.68339.9-21.6000118
474G30.2Very low40.2Very low76 Ų76122.2 Ų122.278%0.78474%0.742SS**  trans102.4138.4143.600000120.4
475L39.9Very low39.6Very low140 Ų140122.7 Ų122.773%0.73375%0.745SS**  trans-143.3145162.6-76.9-180000109.2
476P32.3Very low39.7Very low129 Ų129121.2 Ų121.284%0.83874%0.742SS**  -139.5-177.5119.337.1-23.2000113
477I36.1Very low39.6Very low78 Ų78122.3 Ų122.340%0.474%0.741SS.*  trans-137-165-160.4-37-176.5000111.4A815I477-A815 WeakPolarHBondContact CD1-O 3.42Å
478P44Very low39.9Very low71 Ų71127.6 Ų127.646%0.46175%0.75SS.*  -90.7178-112.440-28.5000116.7P816 L817P478-P816 VanDerWaalsContact CD-O 3.25Å; P478-P816 WeakPolarHBondContact CD-O 3.16Å; P478-L817 HydrophobicContact CG-CB 4.49Å; P478-L817 WeakPolarHBondContact O-CB 3.44Å; P478-L817 WeakPolarHBondContact O-CD1 3.24Å; P478-L817 VanDerWaalsContact O-CG 3.25Å; P478-L817 WeakPolarHBondContact O-CG 3.47Å
479G27.9Very low40Very low73 Ų73126.6 Ų126.675%0.75375%0.745SS**  trans169.6136.2162.900000116.3
480L35.1Very low40.3Very low173 Ų173124.7 Ų124.791%0.90674%0.742SS**  trans-73.7167.3173.9-68170.3000111.9
481P54.4Low39.1Very low117 Ų117127.1 Ų127.176%0.7675%0.749SS**  cis-124.5-149.317.541.6-21.7000111.5
482P39Very low38.2Very low111 Ų111125.6 Ų125.672%0.72175%0.753SS**  cis-134.9-145.8-4.744-23000114.7
483F32.7Very low38.5Very low199 Ų199123.1 Ų123.187%0.87375%0.753SS**  trans-123-166.9173-59.3-88.8000110.5
484P46.5Very low38.9Very low101 Ų101123.3 Ų123.366%0.65675%0.746SS**  -123.3176-88.140.7-25.3000113.5
485P38.2Very low39.3Very low127 Ų127125.9 Ų125.983%0.82575%0.748SS**  trans-82.3150.6157.233.9-31.9000111.5
486V34.8Very low39.4Very low122 Ų122126.1 Ų126.174%0.73975%0.75SS**  trans-122.6164.4-177.7-720000112.7
487N44.6Very low40Very low134 Ų134125.4 Ų125.472%0.71775%0.745SS**  trans-7.3145.3168-62.5-1.8000119.8M489N487-M489 HydrophobicContact CB-SD 4.44Å
488M37.8Very low40.4Very low178 Ų178126.8 Ų126.888%0.87776%0.759SS**  trans-127.5150.3147.3-72.3-65.4152.400110.6
489M38.9Very low40Very low151 Ų151131 Ų13174%0.74478%0.775SS**  trans-106.9-137.9-174.8-52.177.167.100109.5N487N487-M489 HydrophobicContact CB-SD 4.44Å
490P48.8Very low40.5Very low105 Ų105134.9 Ų134.968%0.68278%0.775SS**  -128.7171-50.430.9-12.3000115.4
491N29.8Very low40.4Very low161 Ų161132.7 Ų132.786%0.86176%0.764SS**  trans52116.7142.3-62.23.5000125.5
492G34.4Very low39.2Very low75 Ų75136 Ų13677%0.77377%0.767SS**  87.9174.4127.800000119.8
493P43.3Very low38.8Very low133 Ų133134.3 Ų134.386%0.86477%0.77SS**  cis-122.5-161.9-8.740.8-24.5000114.4
494I47.1Very low39.3Very low135 Ų135133.5 Ų133.569%0.69277%0.771SS**  trans-107.8163.7-165.1-18.4177.5000113.8L496I494-L496 HydrophobicContact CG2-CG 4.22Å
495P40.4Very low38.8Very low130 Ų130134.4 Ų134.484%0.84478%0.777SS**  -140.6178.3106.934.3-17.7000116.8
496L40.5Very low38.9Very low145 Ų145133.8 Ų133.876%0.75978%0.775SS**  trans-135.5-170.8-164.8-72.6161.8000110.8I494I494-L496 HydrophobicContact CG2-CG 4.22Å
497P45.2Very low39.2Very low115 Ų115136.3 Ų136.375%0.74778%0.784SS**  cis-124.1-145.8-21.340.4-21000110.2
498P45.7Very low39.2Very low106 Ų106134 Ų13469%0.68878%0.783SS**  cis-134.9159.7-18.139.5-21.9000118.1
499M35.3Very low39.3Very low160 Ų160131.3 Ų131.379%0.78878%0.779SS**  trans52.2158149.2-60.9-67.196.200120.9
500M37.9Very low40Very low154 Ų154132.5 Ų132.576%0.75979%0.788SS**  cis-152.5123.15.3-149.4118.566.500107.3
501N32.9Very low40.2Very low128 Ų128133.3 Ų133.368%0.68479%0.79SS**  82.514877.6-151.44000117.2
502F30Very low41Very low185 Ų185130.8 Ų130.881%0.81178%0.783SS**  trans81.3137.2173.4-58.8-78.4000121.9
503G30.5Very low41.6Very low76 Ų76132.5 Ų132.578%0.78478%0.78SS**  trans116.3114.1143.100000118.5
504M43Very low41.7Very low183 Ų183131.8 Ų131.890%0.90178%0.776SS**  trans-94.8142.7166.4-73.2-77.3-67.400111.4
505P36Very low41.9Very low120 Ų120131.5 Ų131.578%0.77978%0.78SS**  trans-129163.5146.337.1-26.4000113.7
506S40.7Very low42.3Very low113 Ų113132.8 Ų132.879%0.7978%0.779SS**  trans-86.4145.9-179.1-178.10000112.9
507L39.9Very low42.6Very low176 Ų176133.6 Ų133.692%0.92178%0.784SS**  trans-142.3148.7162.5-72.6179.4000110.7
508A45Very low43Very low85 Ų85133.7 Ų133.770%0.70278%0.782SS**  trans-96.5162.6-163.500000115.3L510A508-L510 PolarHBondContact O-N 3.14Å
509P40.1Very low43.5Very low121 Ų121134.2 Ų134.279%0.78679%0.785SS**  trans-75.2118170.8-9.726.9000111.9V511P509-V511 PolarHBondContact O-N 3.33Å
510L52.7Low44.2Very low177 Ų177136.6 Ų136.693%0.92779%0.787SS**  trans-81.498.5173.2-74.2156.9000110.5A508A508-L510 PolarHBondContact O-N 3.14Å
511V54.3Low45Very low121 Ų121134.2 Ų134.273%0.73378%0.783SS**  trans-124.5127.7172-175.50000108.8P509P509-V511 PolarHBondContact O-N 3.33Å
512P45.3Very low46.4Very low109 Ų109134.2 Ų134.271%0.70879%0.787SS**PPolyproline II helixtrans-68.5145.7-179.928.3-34.7000111.5
513P48.2Very low47.7Very low111 Ų111132.8 Ų132.872%0.72179%0.786SS**PPolyproline II helixtrans-68.6147.7-175.828.1-35.2000112.3T515P513-T515 PolarHBondContact O-N 3.47Å
514P44.5Very low49.1Very low118 Ų118134.3 Ų134.377%0.76678%0.78SS**PPolyproline II helixtrans-71.5117.2179.329.1-33.9000111.2L516P514-L516 PolarHBondContact O-N 2.92Å
515T51.6Low49.7Very low128 Ų128131 Ų13179%0.78577%0.772SS**  trans-69.3111.317050.70000110P513 L517P513-T515 PolarHBondContact O-N 3.47Å; T515-L517 PolarHBondContact O-N 3.41Å
516L49.4Very low50.5Low158 Ų158132.3 Ų132.383%0.82777%0.772SS**  trans-68.294.4175.2-67.5176.1000110.6P514 V518P514-L516 PolarHBondContact O-N 2.92Å; L516-V518 PolarHBondContact O-N 3.13Å
517L46.7Very low51.2Low162 Ų162132.6 Ų132.685%0.84877%0.771SS**  trans-73.791.9167.5-134.682.1000108.5T515 P519T515-L517 PolarHBondContact O-N 3.41Å; L517-P519 VanDerWaalsContact O-CD 3.28Å; L517-P519 WeakPolarHBondContact O-CD 3.47Å
518V52.7Low52Low116 Ų116130.1 Ų130.170%0.70376%0.763SS**  trans-58.7120.1174.9178.40000108.8L516 Y520L516-V518 PolarHBondContact O-N 3.13Å; V518-Y520 PolarHBondContact O-N 2.85Å
519P57.8Low52.4Low117 Ų117131.5 Ų131.576%0.7677%0.765SS**  trans-67.6108.6176.7-18.832.8000109.6L517L517-P519 VanDerWaalsContact O-CD 3.28Å; L517-P519 WeakPolarHBondContact O-CD 3.47Å
520Y50Low53.2Low211 Ų211132.9 Ų132.983%0.82776%0.764SS**  trans-61.6130.7173.7-133.8-92.1000108.9V518 V522V518-Y520 PolarHBondContact O-N 2.85Å; Y520-V522 PolarHBondContact O-N 2.99Å
521P54.6Low53Low103 Ų103129.9 Ų129.967%0.66976%0.755SS**  trans-68.3105.2-175.326-33.8000110.4I523P521-I523 PolarHBondContact O-N 3.41Å
522V61.2Low52.9Low128 Ų128131.2 Ų131.278%0.77676%0.756SS**  trans-69.4102.5171.5179.30000108Y520 V524Y520-V522 PolarHBondContact O-N 2.99Å; V522-V524 PolarHBondContact O-N 3.38Å
523I58.5Low52.9Low156 Ų156131.3 Ų131.380%0.876%0.757SS**  trans-67.396.3173.7-60.4167.5000107.9P521 P525P521-I523 PolarHBondContact O-N 3.41Å; I523-P525 WeakPolarHBondContact O-CD 3.41Å
524V59.2Low53Low108 Ų108133 Ų13366%0.65576%0.759SS**  trans-70.6119.2168.1179.60000107.4V522 L526V522-V524 PolarHBondContact O-N 3.38Å; V524-L526 PolarHBondContact O-N 3.01Å
525P55.4Low53Low113 Ų113133 Ų13373%0.73476%0.758SS**  trans-69.4100.3177.627.8-33.1000109.4I523I523-P525 WeakPolarHBondContact O-CD 3.41Å
526L53.3Low52.9Low148 Ų148133.4 Ų133.478%0.77576%0.755SS**  trans-59.3126.6171.2-75.7166.4000109.1V524 V528V524-L526 PolarHBondContact O-N 3.01Å; L526-V528 PolarHBondContact O-N 3.29Å
527P54.4Low52.8Low118 Ų118131.4 Ų131.477%0.76675%0.751SS**  trans-68.7101.9174.927.8-32.8000108.9
528V56.5Low52.6Low124 Ų124133.2 Ų133.275%0.75275%0.752SS**  trans-59124.8174.8-177.80000108.2L526 I530L526-V528 PolarHBondContact O-N 3.29Å; V528-I530 PolarHBondContact O-N 2.85Å
529P53.9Low52Low115 Ų115134.4 Ų134.475%0.74776%0.755SS**  trans-65113.5179.225.6-33000109.5
530I56.8Low50.8Low149 Ų149134 Ų13476%0.76476%0.755SS**  trans-62.7125.6172.5-59.6175000107.3V528 I532V528-I530 PolarHBondContact O-N 2.85Å; I530-I532 PolarHBondContact O-N 3.06Å
531P48.1Very low50.1Low114 Ų114132.7 Ų132.774%0.7475%0.753SS**  trans-65.4111.5179.326-33.3000109.7
532I53.4Low49.4Very low149 Ų149133.5 Ų133.576%0.76476%0.761SS**PPolyproline II helixtrans-67125.7171.8-59.8175.9000107.2I530 I534I530-I532 PolarHBondContact O-N 3.06Å; I532-I534 PolarHBondContact O-N 3.21Å
533P44.1Very low48.1Very low112 Ų112132.1 Ų132.173%0.72776%0.758SS**PPolyproline II helixtrans-63.7122.8179.625.3-33.3000110P535P533-P535 WeakPolarHBondContact O-CD 3.48Å
534I51.3Low47Very low147 Ų147136.3 Ų136.375%0.75476%0.764SS**PPolyproline II helixtrans-64.2124.4173.5-60.5172.2000107.7I532 I536I532-I534 PolarHBondContact O-N 3.21Å; I534-I536 PolarHBondContact O-N 2.81Å
535P45.3Very low45.7Very low116 Ų116138.2 Ų138.275%0.75377%0.77SS**  trans-65.1105.3168.7-17.331.5000108.4P533 P537P533-P535 WeakPolarHBondContact O-CD 3.48Å; P535-P537 WeakPolarHBondContact O-CD 3.44Å
536I48.8Very low44.7Very low138 Ų138141.3 Ų141.371%0.70878%0.775SS**  trans-62.2122.7171.2-57.9174.5000106.5I534 F538I534-I536 PolarHBondContact O-N 2.81Å; I536-F538 PolarHBondContact O-N 3.17Å
537P46.8Very low44.1Very low116 Ų116139 Ų13975%0.75377%0.768SS**  trans-65.6110.9174.826.6-32.3000108.2P535 N539P535-P537 WeakPolarHBondContact O-CD 3.44Å; P537-N539 PolarHBondContact O-N 3.29Å
538F42Very low42.8Very low199 Ų199142.8 Ų142.887%0.87378%0.776SS**  trans-60111.4168.6-75.9-81.4000108I536 S540I536-F538 PolarHBondContact O-N 3.17Å; F538-S540 VanDerWaalsContact C-N 3.3Å; F538-S540 PolarHBondContact O-N 3.37Å
539N40.4Very low41.6Very low141 Ų141141.8 Ų141.875%0.75477%0.774SS**  trans-65.495.5168.9-178.3-0.9000107.9P537 K541P537-N539 PolarHBondContact O-N 3.29Å; N539-K541 VanDerWaalsContact C-N 3.27Å; N539-K541 PolarHBondContact O-N 2.84Å
540S33.3Very low40.6Very low109 Ų109139.4 Ų139.476%0.76276%0.761SS**  trans-63.993.5168.254.10000107.7F538F538-S540 VanDerWaalsContact C-N 3.3Å; F538-S540 PolarHBondContact O-N 3.37Å
541K35Very low39.3Very low183 Ų183136.5 Ų136.580%0.79675%0.753SS**  trans-45.7140.1-179.8-63.3177.7-178.8178.70110.3N539 S543N539-K541 VanDerWaalsContact C-N 3.27Å; N539-K541 PolarHBondContact O-N 2.84Å; K541-S543 PolarHBondContact O-N 3.15Å; K541-S543 VanDerWaalsContact O-N 3.08Å
542S39.8Very low38.5Very low120 Ų120136 Ų13684%0.83975%0.752SS**  trans-58.4109.9173.750.90000111.7
543S35Very low37.5Very low100 Ų100134.3 Ų134.370%0.69975%0.749SS**  trans-114.789.1154.257.30000107.8K541K541-S543 PolarHBondContact O-N 3.15Å; K541-S543 VanDerWaalsContact O-N 3.08Å
544R35Very low36.8Very low244 Ų244136.8 Ų136.892%0.92175%0.75SS**  trans-87.198.9168.8168.5-170159.4176.3-5.9106.2
545D31.5Very low35.6Very low148 Ų148135.1 Ų135.179%0.79175%0.752SS**  trans-122.5115.2177.9-84.2-70.7000111.2
546Q35Very low34.7Very low178 Ų178134 Ų13483%0.83275%0.752SS**  trans-170.8145.4171.9-139.6-133.70.400108.3
547P40.3Very low34.4Very low98 Ų98132.8 Ų132.864%0.63675%0.753SS**  -131.6145.1-56.735.2-22.1000112.3
548E27.4Very low33.3Very low199 Ų199133.6 Ų133.693%0.9375%0.751SS**  trans-112.1148.5175.5-61.6-74.7138.300110.9
549S30.1Very low32.7Very low102 Ų102128.6 Ų128.671%0.71374%0.741SS**  trans-113.2171.8-17175.10000111.2
550S33.2Very low32.2Very low66 Ų66126.6 Ų126.646%0.46274%0.738SS.*  cis-168.5174.39.230.10000108.9
551S29.4Very low32Very low87 Ų87129.8 Ų129.861%0.60874%0.741SS**  trans62.4145.1151.548.40000119.4
552S32.3Very low31.8Very low103 Ų103125 Ų12572%0.7274%0.736SS**  cis-165.1-165.8-11.2-166.30000105.7
553V31.6Very low31.4Very low114 Ų114124.5 Ų124.569%0.69173%0.732SS**  cis-155.7-179.612.9-146.30000109.4
554H29.8Very low31.1Very low165 Ų165125.4 Ų125.476%0.76474%0.738SS**  trans77.7108.4152.3-75.5-58000122.3
555S26.5Very low30.9Very low112 Ų112119.1 Ų119.178%0.78373%0.732SS**  trans86.7106132-54.70000120.6
556A25.1Very low30.8Very low92 Ų92123 Ų12376%0.7674%0.735SS**  trans-85.2-175.8149.900000109.5
557P43.4Very low30.5Very low112 Ų112118.1 Ų118.173%0.72773%0.725SS**  cis-113.7-161.3-1.245.2-30000110.9
558D24.4Very low30Very low134 Ų134122 Ų12272%0.71774%0.735SS**  cis-158.9-17940.4-144.2-55.8000113.3
559S27.3Very low30.1Very low94 Ų94117.9 Ų117.966%0.65773%0.728SS**  trans-53.2167163.963.40000113
560S31.4Very low31.1Very low99 Ų99118.3 Ų118.369%0.69273%0.728SS**  cis-173.5167.545.151.10000113.3
561E29.5Very low30.8Very low176 Ų176120.1 Ų120.182%0.82274%0.741SS**  trans48.4123.9142.8-64.4-76.977.800122.5
562A29.9Very low30.8Very low83 Ų83120.7 Ų120.769%0.68675%0.745SS**  trans62.5119.4135.600000123.5
563S30.4Very low30.8Very low109 Ų109121.4 Ų121.476%0.76275%0.75SS**  trans74.8117.9133.7-62.30000122.4
564S29.9Very low30.7Very low118 Ų118119 Ų11983%0.82575%0.749SS**  trans60.8132.7144.670.60000118.7
565S31.3Very low30.9Very low112 Ų112117 Ų11778%0.78375%0.753SS**  cis-167157.329.359.10000114.2
566R29.5Very low31.1Very low229 Ų229117.6 Ų117.686%0.86475%0.748SS**  trans36.789.5143.8-162173.7-177.3169.41.6120.8
567A27.8Very low31.7Very low76 Ų76121.5 Ų121.563%0.62875%0.747SS**  82160.1119.600000122.7
568H29.3Very low31.1Very low179 Ų179119.9 Ų119.983%0.82975%0.751SS**  trans84.9126.1170.2-58.2-74000118.7
569S30.2Very low31.5Very low114 Ų114119.8 Ų119.880%0.79775%0.751SS**  trans-80.4-169.8175.1-28.60000111.2
570P51Low31.6Very low110 Ų110123.6 Ų123.671%0.71476%0.757SS**  cis-139.3-162.31.335.8-12.6000115
571S26.5Very low31.6Very low105 Ų105127.2 Ų127.273%0.73476%0.761SS**  trans71.8155.8158.819.60000117.8
572S29.8Very low31.5Very low99 Ų99123.6 Ų123.669%0.69275%0.751SS**  cis-165.3156.3-1448.30000113.1
573S32.1Very low31.7Very low118 Ų118125.8 Ų125.883%0.82575%0.747SS**  trans43.7137.1138.866.90000124.2
574G30.6Very low32.5Very low64 Ų64125.6 Ų125.666%0.6674%0.743SS**  trans137.6128.6163.400000110.2
575S32Very low32.6Very low123 Ų123124.2 Ų124.286%0.8674%0.739SS**  65.5129.950.477.50000112.7
576D32.4Very low32.4Very low124 Ų124122.7 Ų122.766%0.66374%0.741SS**  cis-156.1173.920.6-174.9-135.9000111.7
577K37Very low32.3Very low173 Ų173115.2 Ų115.275%0.75274%0.735SS**  trans-1.6156.4168.9-64.1171-155.669.60122.7
578G31.7Very low32.3Very low78 Ų78119.2 Ų119.280%0.80474%0.741SS**  trans166.983.9153.300000118.1
579D32.2Very low32.3Very low133 Ų133118 Ų11871%0.71174%0.736SS**  trans-55.4158.1-177-67.8-95.9000121.1
580H29.5Very low32.1Very low173 Ų173118.6 Ų118.680%0.80173%0.734SS**  trans84.8111.2141.5-70.6-14.8000123.9
581K30.3Very low30.9Very low175 Ų175118.1 Ų118.176%0.76173%0.733SS**  98.6102.3111.2-168.2-177.1177.8-176.70121.5
582T29.2Very low31.9Very low101 Ų101118.2 Ų118.262%0.6273%0.732SS**  trans62.2109.1132.2-46.40000121.2
583E32.5Very low31.9Very low128 Ų128119.5 Ų119.560%0.59874%0.735SS**  trans-81156.3153.2-129.6-78.5102.300110.7A585E583-A585 PolarHBondContact OE1-N 2.71Å; E583-A585 PolarHBondContact OE2-N 2.77Å
584P48.1Very low32.3Very low105 Ų105119.8 Ų119.868%0.68273%0.734SS**  -156136104.437.1-16.7000119.6
585A30.9Very low32.1Very low89 Ų89120.5 Ų120.574%0.73674%0.741SS**  80.3144129.200000122.2E583E583-A585 PolarHBondContact OE1-N 2.71Å; E583-A585 PolarHBondContact OE2-N 2.77Å
586G27.1Very low32Very low80 Ų80122 Ų12283%0.82574%0.735SS**  trans155.685.6152.200000119.2
587G28.2Very low31.9Very low73 Ų73125.9 Ų125.975%0.75374%0.74SS**  trans68.2-178.7153.400000119
588E28.4Very low31.6Very low160 Ų160122.3 Ų122.375%0.74874%0.737SS**  cis-168.6156.5-18-132.4-173.792.900111.9
589Q28.8Very low31.6Very low153 Ų153129.9 Ų129.972%0.71574%0.741SS**  trans68.1152157.3-54-77.6-0.900117.5
590V25.6Very low31.5Very low127 Ų127130 Ų13077%0.7775%0.747SS**  cis-153174.6-15.7910000112
591S26.3Very low31.4Very low99 Ų99125.8 Ų125.869%0.69274%0.742SS**  trans-88.7-147178.3-154.70000112.1
592P46.9Very low31.3Very low107 Ų107126.3 Ų126.370%0.69574%0.744SS**  cis-147.1-158.830.433.1-4.4000116.7
593V29.9Very low31.2Very low127 Ų127129 Ų12977%0.7775%0.752SS**  trans98.4125.5155-176.20000117.9
594P41.3Very low30.8Very low124 Ų124129.7 Ų129.781%0.80576%0.76SS**  cis-139.8176.8-3139.1-20000114.9
595G26.6Very low29.8Very low78 Ų78131.3 Ų131.380%0.80476%0.762SS**  trans169.381.4167.300000115.8
596E29.1Very low29.8Very low155 Ų155133.4 Ų133.472%0.72477%0.766SS**  trans-91.3178.9173.5-51.4-17110400111.7
597R30.8Very low29.7Very low206 Ų206135.7 Ų135.778%0.77776%0.763SS**  cis-166.6-17616.3-150.9164.5172.4119.9-7.8110.1
598S29.8Very low29.4Very low97 Ų97139.6 Ų139.668%0.67876%0.759SS**  -159.1142.2-94.4-167.90000111.6
599R32.8Very low29.3Very low237 Ų237136.1 Ų136.189%0.89475%0.753SS**  trans66.9117.5165.2-64.5179.8173.7-164.4-2.4122.9
600T29.3Very low29.2Very low137 Ų137135 Ų13584%0.8475%0.747SS**  trans-159.214013827.20000106.6
601A27.6Very low29.4Very low83 Ų83134.9 Ų134.969%0.68674%0.742SS**  68.913659.800000113.1
602F27.2Very low29.7Very low187 Ų187136.3 Ų136.382%0.8274%0.742SS**  cis-167.4159.1-7.3-137.3-96000108.4
603M27.6Very low29Very low157 Ų157138.5 Ų138.577%0.77375%0.747SS**  trans64161.6171.4-81.7149.768.600115.9
604D24.9Very low28.9Very low143 Ų143135.7 Ų135.777%0.76575%0.745SS**  cis-133.2-176.432.2-161.314.3000115.5
605L27.4Very low28.3Very low139 Ų139135.8 Ų135.873%0.72875%0.748SS**  trans-98.8150-156.1-67.9155.2000116.1
606T30.6Very low28.6Very low133 Ų133139.6 Ų139.682%0.81675%0.749SS**  trans-77.4124.9143.340.80000110
607V25.2Very low28.6Very low127 Ų127137.2 Ų137.277%0.7775%0.748SS**  trans174.2131.7143.4138.50000112.7
608K22Very low28.7Very low156 Ų156135 Ų13568%0.67875%0.751SS**  trans62.4133.9155.9-80.6-16883.3-145.20118.4E610K608-E610 WeakPolarHBondContact CE-OE2 3.38Å; K608-E610 IonicContact NZ-OE2 3.45Å; K608-E610 PolarHBondContact NZ-OE2 2.87Å
609S25.5Very low28.7Very low86 Ų86135.1 Ų135.160%0.60175%0.752SS**  78.3169.985.993.70000113.2
610E26.6Very low28.5Very low129 Ų129129.4 Ų129.460%0.60375%0.748SS**  cis-131.3147.1-2.4-130.1132.4111.900104.7K608K608-E610 WeakPolarHBondContact CE-OE2 3.38Å; K608-E610 IonicContact NZ-OE2 3.45Å; K608-E610 PolarHBondContact NZ-OE2 2.87Å
611D29.9Very low28.7Very low125 Ų125126.7 Ų126.767%0.66875%0.747SS**  176147.777.8-106.6-49.9000108.4
612N32.3Very low29Very low130 Ų130128.5 Ų128.570%0.69576%0.755SS**  45.4140.5101.2-72.3-59.1000116.8
613L32.7Very low29.2Very low152 Ų152122.5 Ų122.580%0.79675%0.746SS**  cis-146.3152.6-2-105.1138.7000105.3
614G28.4Very low29.5Very low69 Ų69123.1 Ų123.171%0.71175%0.752SS**  cis96.850.732.800000112.2
615S28.8Very low30Very low125 Ų125123.1 Ų123.187%0.87475%0.75SS**  trans-145.8144.6172.3-163.40000114.3
616L32.9Very low30Very low159 Ų159123.8 Ų123.883%0.83275%0.754SS**  trans-90.6170.1-156.1-63.3157.7000116
617C28.2Very low30Very low105 Ų105120.1 Ų120.171%0.70974%0.743SS**  trans90.2115.7142.2-76.70000123.4
618L32.1Very low30.3Very low158 Ų158120.3 Ų120.383%0.82774%0.744SS**  trans71.6148.5135.2-56.6173000118.8
619S29.7Very low30.8Very low100 Ų100120.2 Ų120.270%0.69975%0.75SS**  cis-157.8172.63.4-139.70000113.9
620S30.3Very low30.8Very low117 Ų117122.5 Ų122.582%0.81876%0.755SS**  trans70139.5168.7-53.40000117.6
621G32Very low31.5Very low80 Ų80123.9 Ų123.983%0.82577%0.766SS**  cis100.9130.27.400000111.9
622S34.3Very low31.7Very low121 Ų121123.5 Ų123.585%0.84677%0.768SS**  cis-145.4166.310.4-167.40000108.4
623G32.8Very low31.6Very low61 Ų61124.1 Ų124.163%0.62978%0.776SS**  cis106.7128.76.300000112.9
624L32.3Very low31.6Very low171 Ų171119.8 Ų119.890%0.89577%0.768SS**  trans-166.5-153.8157.5-144.671.4000110.8
625I36.5Very low31.7Very low142 Ų142126 Ų12673%0.72878%0.779SS**  trans-121.9174.5-17365.9173.7000110.4
626D26.3Very low32Very low153 Ų153129.1 Ų129.182%0.81878%0.777SS**  cis-151.2-164.36.1-141.2-8.5000108.6
627G31.6Very low32.2Very low57 Ų57128 Ų12859%0.58878%0.779SS**  cis167.4145.63.400000111.1
628V30.8Very low32.2Very low130 Ų130126.4 Ų126.479%0.78878%0.781SS**  trans-84.3159.9178.1-178.60000108
629I32.5Very low32.1Very low155 Ų155127 Ų12780%0.79578%0.779SS**  -170.3158.364.9-1983.1000114
630D25.6Very low32Very low133 Ų133129 Ų12971%0.71178%0.777SS**  trans78.8158.8138.2-145.315.1000123.9
631L42Very low31.9Very low158 Ų158130.6 Ų130.683%0.82777%0.772SS**  trans-127.3106.4177.3-79.275.3000111.7
632T32.8Very low31.9Very low118 Ų118133.9 Ų133.972%0.72477%0.77SS**  trans-149.4151.2161.356.10000113.6
633V32Very low31.7Very low142 Ų142136.3 Ų136.386%0.86177%0.771SS**  trans63.4151.8168.8-163.10000115
634G31Very low31.4Very low61 Ų61141.5 Ų141.563%0.62978%0.779SS**  cis139.1147-9.200000112.6
635Q30.7Very low31.3Very low199 Ų199139.2 Ų139.293%0.9377%0.772SS**  trans75.9162.7178.9-50-160.36.700118.5
636K34.8Very low30.8Very low191 Ų191140.4 Ų140.483%0.8378%0.777SS**  trans-110.3153.3176.2-72.2-176.7170.5-176.30108.8
637P38.6Very low30.9Very low136 Ų136141 Ų14188%0.88378%0.779SS**  -120-168.981.4-5.127.9000112.6
638G27.8Very low30.7Very low72 Ų72143.4 Ų143.474%0.74279%0.793SS**  cis178.9178.31.200000112.6
639Q29.5Very low30.4Very low169 Ų169140.5 Ų140.579%0.7979%0.79SS**  trans-55.7139.6-172.9-84.8160.2-111.800118.5
640Q27.6Very low30Very low143 Ų143139.7 Ų139.767%0.66879%0.792SS**  74141.1126.5-70.4171.4-46.200123.9
641H28.8Very low30Very low150 Ų150141.1 Ų141.169%0.69479%0.794SS**  trans94.2121.7137.3-87.7-144.6000122
642L31.3Very low29.5Very low150 Ų150140.9 Ų140.979%0.78580%0.799SS**  trans47.891.7134.2-58.1176.6000118.5
643I31.2Very low29.1Very low171 Ų171143.8 Ų143.888%0.87780%0.802SS**  trans-126.3126.9137.2-64.1-175.5000108.4
644Q26.7Very low28.9Very low170 Ų170141.9 Ų141.979%0.79479%0.79SS**  trans-101.3173.4171.5-173174.1-7.300108.5
645T29.9Very low28.6Very low123 Ų123147.2 Ų147.276%0.75580%0.799SS**  trans65.4150.1173.8480000116.3
646M24.9Very low28.3Very low167 Ų167144.9 Ų144.982%0.82379%0.788SS**  cis-162.3176.5-27.7-116.7-64.9-167.200107.7
647L29.9Very low28Very low167 Ų167140 Ų14087%0.87478%0.777SS**  trans-75.5139.2175.7-72100.8000114
648A25.3Very low27.5Very low106 Ų106144.1 Ų144.188%0.87678%0.776SS**  trans-156.3150.7143.200000108.1
649G26.3Very low27.6Very low70 Ų70145.7 Ų145.772%0.72278%0.775SS**  cis15199.6-3.200000110.9
650V23.1Very low28.7Very low138 Ų138143 Ų14384%0.83677%0.772SS**  trans-148.9133.7-177.1178.50000108.9
651Q26.7Very low29.7Very low163 Ų163141.7 Ų141.776%0.76278%0.776SS**  cis-155.5134.3-23.5-121.3-166.78700107.2
652V30.5Very low29.8Very low153 Ų153138.3 Ų138.393%0.92777%0.774SS**  trans-139.1142.6155.8-1750000106.4
653K24.4Very low29.8Very low178 Ų178138.9 Ų138.977%0.77478%0.778SS**  trans-114.4158.2-163.6-170.4-168.8172.5-172.70111.5
654V27.9Very low29.7Very low103 Ų103133.7 Ų133.762%0.62477%0.767SS**  trans111.5109.9155.8178.80000115.5
655E24.5Very low29.9Very low173 Ų173136 Ų13681%0.80878%0.775SS**  trans57.4153.6146-74.4169.974.300120.7
656E25.2Very low29.8Very low149 Ų149133.8 Ų133.870%0.69678%0.776SS**  cis-158142.3-11.9169.157.1-15800109.7
657S28.5Very low30.3Very low88 Ų88137 Ų13762%0.61578%0.779SS**  trans29.1120.4160.8-75.30000125
658R28.2Very low30.1Very low224 Ų224137.4 Ų137.485%0.84578%0.776SS**  92.577112.5-159.7177.2-167.5179.36123.2
659S30.1Very low30.2Very low104 Ų104137.6 Ų137.673%0.72777%0.77SS**  74.4-177.8119.385.40000119.5
660P51.4Low30.4Very low112 Ų112139 Ų13973%0.72777%0.769SS**  -131.7-147.3-122.841.6-16.7000112.2
661P49.7Very low30.8Very low116 Ų116140.6 Ų140.675%0.75377%0.767SS**  cis-138.1-167-11.540.5-19.8000116.3
662A30.9Very low30.8Very low79 Ų79140.5 Ų140.565%0.65377%0.77SS**  trans97.8134.6142.600000122.2
663D29.6Very low30.8Very low162 Ų162138.3 Ų138.387%0.86676%0.762SS**  trans43.8149.9145.2-52.4-27.9000122.6
664G31Very low31.9Very low62 Ų62134.8 Ų134.864%0.63976%0.757SS**  cis166.3165.9-5.100000113.3
665F29.8Very low32.1Very low220 Ų220135.6 Ų135.697%0.96576%0.758SS**  trans63.6146.2170.3-64.4-87.6000120.8
666G27.2Very low32.2Very low76 Ų76134.3 Ų134.378%0.78475%0.75SS**  trans158.3123.1157.300000116.5
667R35.5Very low32.3Very low233 Ų233135.2 Ų135.288%0.87975%0.752SS**  trans-81.4173.1166.8-63.3167.4-179.9-113.8-1.7108.8
668E26.3Very low33.2Very low176 Ų176136.6 Ų136.682%0.82276%0.758SS**  cis-161.1-16731.6-164.2142.792.200112.1
669C27.5Very low33.1Very low110 Ų110130.4 Ų130.474%0.74376%0.755SS**  trans-133.8136.7-174.3172.50000111.9
670S31.2Very low32.9Very low100 Ų100133.8 Ų133.870%0.69976%0.764SS**  trans-179.5138.4137-85.70000115.6
671Q30.2Very low31.9Very low171 Ų171135.8 Ų135.880%0.79977%0.768SS**  trans26.5136.3136-47179.914.700121.5
672I28.3Very low31.4Very low161 Ų161135.4 Ų135.483%0.82677%0.766SS**  173.1153.2115.2-87.8157.8000112.6
673S29.1Very low31.2Very low108 Ų108137.7 Ų137.776%0.75577%0.772SS**  trans-155.2160.6164.7-72.20000106.2
674P48.6Very low31.1Very low104 Ų104134.4 Ų134.468%0.67576%0.761SS**  cis-155.1-167.837.843.4-21000118
675N30.5Very low31Very low119 Ų119138.8 Ų138.864%0.63677%0.768SS**  trans69157147.9-70.6-19.8000120.5
676F28.3Very low31Very low147 Ų147138.4 Ų138.465%0.64576%0.76SS**  cis-164.3142.9-10.5-113.1-32.7000111.9
677K27.1Very low31Very low168 Ų168140 Ų14073%0.7376%0.756SS**  trans66172.8143-70.5172.6-176.71750119.7
678P46.6Very low30.7Very low116 Ų116136.6 Ų136.675%0.75375%0.75SS**  cis-141.8160.4-45.139.5-23000117.7
679A27Very low30.7Very low94 Ų94133.2 Ų133.278%0.77775%0.745SS**  trans73.1155138.300000125.1
680L25.6Very low30.6Very low175 Ų175136.2 Ų136.292%0.91675%0.753SS**  trans99.4154.6161.7-68170.2000121.1
681L29.3Very low30.4Very low154 Ų154135 Ų13581%0.80675%0.749SS**  trans-94.8171.2-163.8-83.6166.4000111.5
682P40.8Very low30.2Very low109 Ų109134.6 Ų134.671%0.70875%0.751SS**  cis-159.5-16346.847.7-24.1000119.8
683T25.9Very low30.8Very low127 Ų127131.6 Ų131.678%0.77974%0.742SS**  trans-25164.115950.20000119.5
684S27.6Very low30.8Very low93 Ų93134.6 Ų134.665%0.6574%0.744SS**  cis174.7169.9-12.8-177.90000108.8
685I28.5Very low29.7Very low153 Ų153135.6 Ų135.679%0.78574%0.743SS**  trans67.9143.4163.3-74.5153.1000113.8
686R30.5Very low29.5Very low212 Ų212138.4 Ų138.480%0.875%0.752SS**  cis-136.6-171.511.5-146.8156.2-178.2173.9-0.1106.8
687T26.1Very low29.4Very low111 Ų111136 Ų13668%0.68176%0.76SS**  cis-154.5166.721.2-46.30000113.3
688Q29.5Very low29.4Very low161 Ų161136 Ų13675%0.75277%0.768SS**  trans-40.6168.7170.8-58.7169.1107.300118.9
689S27.6Very low28.4Very low104 Ų104136.3 Ų136.373%0.72777%0.773SS**  cis141.1122.3-22.2170.30000112.5
690L25.1Very low28.4Very low174 Ų174136.5 Ų136.591%0.91178%0.775SS**  trans-171.9143.1153.4-122.377.6000106.6
691A27.3Very low28.5Very low74 Ų74132.6 Ų132.661%0.61277%0.767SS**  cis-157.3139.7-4.400000112.6
692L26.1Very low29.2Very low163 Ų163130.4 Ų130.485%0.85376%0.763SS**  trans65.2159.2141.6-91.468000121.3
693P39Very low28.5Very low97 Ų97130.2 Ų130.263%0.6376%0.762SS**  -145.1153.9-63.836.8-16.3000118.4
694Q30.4Very low28.8Very low172 Ų172131 Ų13180%0.80476%0.762SS**  trans64.9159138.6-71.6-174.6-33.900121.4
695L25.7Very low28.8Very low125 Ų125132.6 Ų132.665%0.65477%0.767SS**  cis-154137-14.3-96.2153.5000104.7
696Q26.2Very low28.8Very low177 Ų177132 Ų13283%0.82776%0.764SS**  80.7111.950.9-173-174.9-9.200116.4
697A25.5Very low28.7Very low98 Ų98127 Ų12781%0.8176%0.757SS**  trans-175.4164.6145.400000112.5
698N26.6Very low28.7Very low167 Ų167129 Ų12989%0.89376%0.764SS**  trans-118.2153179.8-61.4-39.5000112.1
699S26Very low28.6Very low122 Ų122125.1 Ų125.185%0.85377%0.767SS**  trans-174.7161134.956.20000115.5
700A26.5Very low28.6Very low99 Ų99127 Ų12782%0.81878%0.775SS**  trans-4.9156.4163.200000124.1
701A29Very low28.7Very low92 Ų92122.4 Ų122.476%0.7677%0.768SS**  trans-82.1-177.6158.900000110.4
702P42.9Very low28.7Very low109 Ų109129.9 Ų129.971%0.70878%0.781SS**  cis-147.9-179.33639-15.8000118.3
703C26.5Very low28.8Very low104 Ų104130.8 Ų130.870%0.70378%0.781SS**  trans59.1164147.976.10000120
704N31.5Very low28.1Very low143 Ų143131.3 Ų131.377%0.76579%0.786SS**  cis-170.7163.9-28.8-101.3-21.2000107.6
705V28.7Very low28Very low127 Ų127129.7 Ų129.777%0.7778%0.783SS**  trans69.6141.9145.1151.60000117.9
706I29Very low28Very low140 Ų140131 Ų13172%0.71879%0.79SS**  cis-172.7169.6-12-150.7-179.8000111.8
707V26.9Very low28.3Very low107 Ų107130 Ų13065%0.64879%0.79SS**  trans79.6127151.2159.60000123
708N26.8Very low28.8Very low154 Ų154131 Ų13182%0.82479%0.788SS**  trans42.7142.7146.6-58.4-5.6000124.6
709G27.6Very low28.8Very low79 Ų79129.8 Ų129.881%0.81478%0.781SS**  trans-172.279.2161.300000111.9
710T28.1Very low28.9Very low145 Ų145136 Ų13689%0.8979%0.786SS**  trans-79.7135.5176.644.20000112.1
711G26.6Very low29Very low76 Ų76141.1 Ų141.178%0.78479%0.79SS**  trans-160.2127.7168.700000111.8
712W28Very low29Very low232 Ų232139.9 Ų139.988%0.87979%0.786SS**  trans-102.2139.7171.5-74.353000108.8
713H26.9Very low28.2Very low182 Ų182144.3 Ų144.384%0.84380%0.797SS**  trans-147.8125.1153.7-96.1-76.1000110.7
714S25.2Very low28.5Very low107 Ų107150.1 Ų150.175%0.74880%0.804SS**  trans-107.7129.7165.7-60.30000108.4
715L27.5Very low28.2Very low139 Ų139151.2 Ų151.273%0.72881%0.811SS**  trans-140.4118.6168.2-61.8173.4000105
716L25.8Very low28.1Very low153 Ų153148.3 Ų148.380%0.80181%0.806SS**  119130.763.5-92.8179.6000106.4
717N32.3Very low28Very low156 Ų156151.3 Ų151.383%0.83482%0.817SS**  trans-83.9158168.5-75.6-14.3000110.4
718P35.9Very low28Very low119 Ų119153.2 Ų153.277%0.77382%0.824SS**  -129.5139.2111.635.6-28.3000111
719D26.5Very low29.2Very low140 Ų140151.1 Ų151.175%0.74982%0.818SS**  73.8117.757-157.8-41.1000114.1
720R29Very low30Very low254 Ų254152.4 Ų152.496%0.95881%0.813SS**  trans-156.2146.5151.9-115.3178.7-176.7-123.7-2.2110.7
721K28Very low30Very low205 Ų205152.8 Ų152.889%0.89181%0.809SS**  trans-148.6145.9-166.4177.4-177.1177.1-177.90112
722G29.8Very low30Very low66 Ų66155.9 Ų155.968%0.6881%0.808SS**  trans150.7147.7172.300000111.3
723E25.6Very low29.9Very low202 Ų202148 Ų14894%0.94480%0.798SS**  cis-126.6-142.63.3-66.7-161.769.700113.6
724R31.9Very low29.9Very low226 Ų226146.1 Ų146.185%0.85379%0.794SS**  trans-159.1142.7-141.1179.4-149-55.2-126.43.2113.5
725D25.8Very low30.4Very low167 Ų167147.7 Ų147.789%0.89379%0.794SS**  trans-162.2158.5148.9-91.3-36.3000109.6
726G27.8Very low30.5Very low66 Ų66147.4 Ų147.468%0.6879%0.789SS**  cis176.311.7-200000120.9
727E25.1Very low30.7Very low202 Ų202148.6 Ų148.694%0.94478%0.783SS**  trans-149.1174.6-178.4-118.7175.4112.100116.6
728N27.7Very low30.7Very low148 Ų148148.2 Ų148.279%0.79178%0.776SS**  trans-162.8166.4-157.4-131.4-8.4000113.6
729P52.1Low30.6Very low109 Ų109146.4 Ų146.471%0.70877%0.771SS**  cis-109.1-86.5-3525.1-3.9000112.9
730P45.2Very low30.9Very low107 Ų107148.1 Ų148.170%0.69578%0.779SS**  cis-131.4128.5-30.131.6-9.2000118.3
731N26.4Very low31.1Very low153 Ų153144.9 Ų144.982%0.81877%0.772SS**  trans78.8155.6136.1-141.122.7000126.3
732N27.7Very low31.6Very low141 Ų141142.5 Ų142.575%0.75476%0.764SS**  trans71.3143175.7-60.5-2.3000117.2
733G26.6Very low31.6Very low66 Ų66147.2 Ų147.268%0.6877%0.774SS**  cis112.5130.112.500000110
734D26.6Very low32.3Very low142 Ų142144.4 Ų144.476%0.75977%0.765SS**  cis-149160.817.1-101-74.7000110.3
735L35.1Very low32.1Very low140 Ų140138.8 Ų138.873%0.73376%0.759SS**  42.1144.998-83.881.4000116.9
736E29.4Very low32.3Very low134 Ų134135.7 Ų135.763%0.62675%0.751SS**  cis-161.8171-6.7-135.4-168.1165.300113.2
737R30.2Very low32.3Very low178 Ų178139.7 Ų139.767%0.67276%0.761SS**  trans40.2130.4146.7-79.1178.9-161-88.8-3.5126.8
738E31.4Very low32.4Very low148 Ų148133.8 Ų133.869%0.69276%0.755SS**  60.9121.2122.6-65.4-178.691.700125.4
739A34.9Very low32.3Very low81 Ų81135.3 Ų135.367%0.66976%0.758SS**  78.3125.6121.500000123.4
740L32.8Very low32Very low176 Ų176135.7 Ų135.792%0.92176%0.76SS**  trans59.5126.7148.3-59.3167.8000119.5
741K33.7Very low31.2Very low185 Ų185134 Ų13480%0.80476%0.762SS**  -175.2153.4106.7-161.8154.1-170.5175.90113.8
742E36.8Very low31.4Very low155 Ų155134.9 Ų134.972%0.72476%0.758SS**  trans-73.3160-178.965.6-122.6103.100116.9
743N31.3Very low31.6Very low166 Ų166138.7 Ų138.789%0.88876%0.762SS**  trans-158.9170.9147.5-139-32.5000113.2
744N39.2Very low31.6Very low143 Ų143143.1 Ų143.177%0.76577%0.768SS**  trans-141.5-171.1-159.1-151.9-60.4000114
745C27.6Very low31.9Very low108 Ų108141.7 Ų141.773%0.7377%0.77SS**  trans80.1144165.1-61.70000117.7
746S30.6Very low31.8Very low101 Ų101138.9 Ų138.971%0.70677%0.767SS**  cis-153.3138.9-1.3-91.80000109.4
747V28.5Very low31.8Very low150 Ų150140.7 Ų140.791%0.90978%0.775SS**  74.1118.875177.40000116.2
748G25.9Very low31.9Very low79 Ų79138.5 Ų138.581%0.81478%0.777SS**  trans173.9129168.800000115.4
749E26.5Very low31.8Very low180 Ų180139.2 Ų139.284%0.84178%0.78SS**  trans-126.1-174.8-176.3-101.1-83.9130.800109.4
750P45.7Very low31.7Very low116 Ų116143.6 Ų143.675%0.75378%0.784SS**  cis-140.4170.6-2.536.5-15.9000119.3
751G27.6Very low31.4Very low71 Ų71141.7 Ų141.773%0.73278%0.779SS**  trans118.3159144.500000119.9
752K32Very low31.3Very low173 Ų173139.2 Ų139.275%0.75278%0.775SS**  cis-169.8110.63.1-167.5171.5-166.7167.60116.3
753R31.3Very low30.9Very low220 Ų220138.4 Ų138.483%0.8378%0.781SS**  trans70.1160.1162.9-56.3-172.8-71.3-157.64.4116.5
754I25.8Very low30.8Very low159 Ų159139.4 Ų139.482%0.81578%0.777SS**  cis-146154.932.8-68.5171000113.8
755S32.8Very low30.4Very low112 Ų112139.8 Ų139.878%0.78379%0.785SS**  trans-17.9166.1160.1-67.80000123.5
756A33.2Very low30.5Very low82 Ų82141 Ų14168%0.67878%0.783SS**  cis-176.2177.3-15.500000113.2
757Q30.4Very low30.3Very low171 Ų171141.7 Ų141.780%0.79979%0.788SS**  trans67.4148.8162.6-57.8-164.8-84.500118.4
758D31.3Very low30.5Very low132 Ų132143.4 Ų143.471%0.70678%0.784SS**  cis-161.2-170.5-22.8-96.7156.9000106.4
759E29Very low30.6Very low163 Ų163148.1 Ų148.176%0.76279%0.785SS**  cis-151.3-163.515.2-158.9-125.971.300110.4
760K33.1Very low30.7Very low174 Ų174146.5 Ų146.576%0.75778%0.782SS**  trans-166.1124-178.2176.4-141.7173.9-172.30113
761V27.4Very low30.7Very low135 Ų135146.4 Ų146.482%0.81878%0.781SS**  trans-142.7158.7158.71170000114.1
762D30.8Very low30.6Very low133 Ų133149.4 Ų149.471%0.71178%0.78SS**  trans-146.2134.6-166.5179.5-9.1000109.3
763T29.3Very low30.4Very low138 Ų138147.1 Ų147.185%0.84779%0.786SS**  trans-157.3153.1167.2-22.80000113.9
764K29.3Very low30.2Very low188 Ų188141.7 Ų141.782%0.81778%0.782SS**  trans-125.4140.7-172.9162.5-154.4174.6-168.80109.6
765V29.6Very low30.3Very low151 Ų151141.4 Ų141.492%0.91578%0.779SS**  trans-158.7164.3152.1119.20000112.6
766D30.1Very low30.2Very low132 Ų132143.8 Ų143.871%0.70678%0.778SS**  trans-114.7151.2-166-178.5-81.2000112.1
767S27.7Very low30.2Very low116 Ų116148.2 Ų148.281%0.81178%0.784SS**  trans-171.3147.6145.6-85.90000115.2
768K31.5Very low30.3Very low187 Ų187143 Ų14381%0.81378%0.777SS**  trans-47.5168166.9-66.3173.9171.2176.70113.7
769Q28.7Very low30.6Very low178 Ų178144.8 Ų144.883%0.83278%0.781SS**  cis-170.4150.542.4-161.1160.5-28.800114
770D27.8Very low31.1Very low146 Ų146145.5 Ų145.578%0.78178%0.784SS**  trans-105.2153.1164-106.5-59.2000109.4
771P46.4Very low31Very low114 Ų114141.9 Ų141.974%0.7479%0.786SS**  -152.6136.9101.737-18.2000118.1
772D25.5Very low31.2Very low134 Ų134146.4 Ų146.472%0.71779%0.79SS**  58.5121.5120.1-157.12.5000122.2
773S28.3Very low31.2Very low124 Ų124144.3 Ų144.387%0.86779%0.791SS**  trans-161.3147.7131.9-8.80000111.4
774S26.4Very low31.5Very low106 Ų106145.2 Ų145.274%0.74179%0.79SS**  trans-133.1-179.3-177.161.50000113.6
775M27.1Very low32Very low153 Ų153142.4 Ų142.475%0.75479%0.791SS**  trans74.8158.8-165.3-58.4-176.863.500114.1
776E30.6Very low32.4Very low162 Ų162142.5 Ų142.576%0.75779%0.786SS**  cis-118.5159.7-6.947-84.3142.300110.4
777E33.9Very low32.5Very low176 Ų176144.3 Ų144.382%0.82280%0.795SS**  cis66.2123.249.4-156.8175.9-149.600114.2
778G32.4Very low32.5Very low62 Ų62143.8 Ų143.864%0.63979%0.791SS**  cis175.1164.4-7.100000112.3
779E38.1Very low32.5Very low168 Ų168139.6 Ų139.679%0.78579%0.791SS**  trans58.7161.9152.4-56.4-161.5173.400120.4
780H40.3Very low32.5Very low178 Ų178135.2 Ų135.282%0.82479%0.794SS**  cis-164.1153-28.3-98.3-24.5000108.8
781A31Very low32.5Very low99 Ų99132.4 Ų132.482%0.81880%0.8SS**  trans-172.6155151.500000112.2
782Y31.3Very low31.7Very low229 Ų229132.7 Ų132.790%0.89880%0.803SS**  trans-123.5171.6-170.5-109.7-103.6000114.1
783A29.7Very low32Very low89 Ų89133 Ų13374%0.73681%0.81SS**  trans96.412414900000120.9
784L35.9Very low32.2Very low157 Ų157132.8 Ų132.882%0.82280%0.803SS**  trans-92.2160.9145.2-63.3171.7000108.4
785P40.9Very low32.4Very low129 Ų129135.7 Ų135.784%0.83881%0.808SS**  -143.3-173.5104.435.7-19.4000114.6
786L36.4Very low32.7Very low154 Ų154136.8 Ų136.881%0.80681%0.811SS**  trans-114.1-178-171.2-69167.4000112.9
787L32Very low33.5Very low169 Ų169133.5 Ų133.589%0.88580%0.804SS**  trans86.1153.5174.6-48171.6000114.3
788S28.9Very low33.4Very low106 Ų106131.7 Ų131.774%0.74180%0.804SS**  cis-152.2152.510.3-152.40000116
789A31.5Very low34Very low99 Ų99134.2 Ų134.282%0.81881%0.81SS**  trans22.3150.3146.600000125.8
790G28.3Very low33.9Very low86 Ų86135.3 Ų135.389%0.88781%0.812SS**  trans110137.4159.800000114.5
791G27.9Very low33.9Very low87 Ų87133.1 Ų133.190%0.89781%0.813SS**  cis-161.6-179.6-2.300000111.3
792C28.8Very low34Very low119 Ų119133.1 Ų133.180%0.80481%0.814SS**  trans-118.5135.6-168.8-177.40000113.6
793V32Very low33.9Very low142 Ų142127 Ų12786%0.86181%0.811SS**  trans-142.8141.2163.4-176.90000110
794V33Very low34Very low119 Ų119129.3 Ų129.372%0.72181%0.81SS**  trans-113.4144.2178171.80000109.4
795I31.4Very low34Very low167 Ų167130.1 Ų130.186%0.85681%0.807SS**  trans-167.2146.4149-102.2148.1000112.6
796Q31.7Very low33.6Very low175 Ų175130 Ų13082%0.81881%0.805SS**  trans-155172.3168.3-120.6-16844.200105.9
797P47.1Very low33.4Very low94 Ų94127 Ų12761%0.6180%0.802SS**  cis-137.5-177.5-12.939.2-21.2000114.9
798V32.6Very low33.4Very low137 Ų137126 Ų12683%0.8380%0.796SS**  trans70.4162.7148.2147.90000116.1
799P45.1Very low33.4Very low115 Ų115128.3 Ų128.375%0.74780%0.799SS**  cis-123.6-178.58.141-25.8000117.3
800K35.4Very low33.4Very low192 Ų192128.6 Ų128.684%0.83580%0.795SS**  trans-90.4165159.8-65.3179.7177.4179.10111.2
801P41.8Very low33.3Very low131 Ų131130 Ų13085%0.85179%0.79SS**  trans-117.9175.1132.836.4-31.1000112.2
802A31.4Very low33.5Very low100 Ų100130.4 Ų130.483%0.82678%0.779SS**  trans-144145.2-179.400000111.7
803A30.6Very low33.8Very low101 Ų101131.7 Ų131.784%0.83578%0.776SS**  trans-179.6171.2156.200000109.3
804D32.3Very low33.9Very low136 Ų136129 Ų12973%0.72776%0.763SS**  -168.9170.1-54.1-162.5-1.2000107
805K34.3Very low33.7Very low175 Ų175126.5 Ų126.576%0.76176%0.756SS**  trans70.5158.7166.2-62.2169.4-173.1174.80117.1
806T33.6Very low34.7Very low127 Ų127122.7 Ų122.778%0.77974%0.742SS**  -175.2174.4-53.829.10000107.9
807A32Very low34.5Very low90 Ų90120.6 Ų120.674%0.74474%0.735SS**  trans82.9128.3-179.400000114.9
808I30.9Very low33.8Very low149 Ų149122 Ų12276%0.76475%0.747SS**  cis107.5147.519-64.6162.7000112.2
809L30.3Very low33.7Very low153 Ų153120.5 Ų120.580%0.80175%0.75SS**  trans82.6116.6-170.4-50.5-178.8000112.6
810S30.3Very low32.9Very low105 Ų105119.1 Ų119.173%0.73476%0.756SS**  cis78113.413.3-40.30000117.4
811C27.3Very low32.4Very low116 Ų116113.9 Ų113.978%0.78476%0.757SS**  trans178.1141.4133.4-91.80000108
812S31.8Very low31.9Very low96 Ų96113.1 Ų113.167%0.67176%0.755SS**  cis69.515227.3850000113.8
813I36.2Very low33.2Very low145 Ų145114 Ų11474%0.74475%0.752SS**  cis-161.7-179.115.8-143.8159.1000108.5
814S32.2Very low33.1Very low85 Ų85117.5 Ų117.559%0.59475%0.751SS**  -158.9-168.6-69.5-73.60000109.6
815A30.7Very low33.2Very low68 Ų68118.5 Ų118.556%0.56276%0.755SS**  trans108.2-152.6144.300000120.5I477I477-A815 WeakPolarHBondContact CD1-O 3.42Å
816P51.3Low33.1Very low86 Ų86118.5 Ų118.556%0.55876%0.758SS**  -140163.2-103.642.4-25.2000118.6P478P478-P816 VanDerWaalsContact CD-O 3.25Å; P478-P816 WeakPolarHBondContact CD-O 3.16Å
817L27.5Very low34.1Very low131 Ų131117.4 Ų117.469%0.68675%0.753SS**  trans-159.3166.4146.3-88.4-152.2000111.1P478P478-L817 HydrophobicContact CG-CB 4.49Å; P478-L817 WeakPolarHBondContact O-CB 3.44Å; P478-L817 WeakPolarHBondContact O-CD1 3.24Å; P478-L817 VanDerWaalsContact O-CG 3.25Å; P478-L817 WeakPolarHBondContact O-CG 3.47Å
818S33.3Very low34.8Very low123 Ų123118.3 Ų118.386%0.8675%0.752SS**  trans-126.3153.3-174.2-570000112.7
819A29.4Very low35.2Very low107 Ų107119.6 Ų119.688%0.88476%0.759SS**  trans-146145.9154.600000108.7
820G28.5Very low35.9Very low85 Ų85121.6 Ų121.688%0.87676%0.761SS**  trans-109148.8-17400000113.9
821G25.8Very low36.5Very low82 Ų82125.3 Ų125.385%0.84576%0.759SS**  trans-176.8147.4175.400000111.2
822S29.8Very low37.1Very low116 Ų116130.7 Ų130.781%0.81176%0.763SS**  trans-171.1154.1-170-176.60000110.3
823P58.9Low37.3Very low117 Ų117131.7 Ų131.776%0.7677%0.768SS**  cis-133.6154.1-34.135.5-20.9000113.3
824E28.5Very low37.4Very low176 Ų176132 Ų13282%0.82277%0.771SS**  trans-150.4120163.8-152.4166.315800115.8
825L34.4Very low38Very low157 Ų157139.7 Ų139.782%0.82279%0.787SS**  trans52.1122.3153.5-59.9172.6000123.8
826E32.4Very low38.6Very low174 Ų174144 Ų14481%0.81380%0.799SS**  trans-85.1172.1157.3163.4-174.817700110.2
827P55.4Low38.3Very low104 Ų104150.6 Ų150.668%0.67581%0.812SS**  cis-125.7-158.9-1.518.99.1000113.3
828P45.5Very low38.8Very low110 Ų110151.9 Ų151.971%0.71482%0.82SS**  cis-127.8151.3-10.227.8-6.8000116.7K830P828-K830 PolarHBondContact O-N 3.22Å
829L39.5Very low39.5Very low175 Ų175154.6 Ų154.692%0.91682%0.819SS**  trans-79.5109.9172.1-75.8160.7000113.4R831L829-R831 PolarHBondContact O-N 3.27Å
830K45.4Very low40Very low195 Ų195157.2 Ų157.285%0.84882%0.818SS**  trans-72.3109.5176.8-70.2-177.3178.7179.60112.5P828 R832P828-K830 PolarHBondContact O-N 3.22Å; K830-R832 PolarHBondContact O-N 3.21Å
831R42Very low40.5Very low183 Ų183166.2 Ų166.269%0.69183%0.833SS**  trans-69.794.3174.9-71.7-179.9167.9-163.5-7.5112.2E178 L829 C833E178-R831 IonicContact OE1-CZ 3.33Å; E178-R831 IonicContact OE1-NH1 3.81Å; E178-R831 PolarHBondContact OE1-NH1 3.31Å; E178-R831 IonicContact OE1-NH2 2.89Å; E178-R831 IonicContact OE2-CZ 2.69Å; E178-R831 IonicContact OE2-NH1 3.79Å; E178-R831 PolarHBondContact OE2-NH1 3.03Å; E178-R831 IonicContact OE2-NH2 2.78Å; E178-R831 PolarHBondContact OE2-NH2 3.08Å; L829-R831 PolarHBondContact O-N 3.27Å; R831-C833 PolarHBondContact O-N 3.29Å
832R41.1Very low41.2Very low230 Ų230170.4 Ų170.487%0.86883%0.833SS**  trans-73.690.6174-175.7-177.1-80.6-166.9-3.7111.2K830 L834K830-R832 PolarHBondContact O-N 3.21Å; R832-L834 PolarHBondContact O-N 2.83Å
833C36Very low41.8Very low116 Ų116173.3 Ų173.378%0.78483%0.834SS**  trans-68112.8169.9-70.10000110.9R831 R835R831-C833 PolarHBondContact O-N 3.29Å; C833-R835 PolarHBondContact O-N 2.82Å
834L37.8Very low40.9Very low152 Ų152176.4 Ų176.480%0.79684%0.838SS**  trans-69.9114.5172.7-73.6164.4000110.4R832 I836R832-L834 PolarHBondContact O-N 2.83Å; L834-I836 PolarHBondContact O-N 2.85Å
835R44Very low41.6Very low247 Ų247176.4 Ų176.493%0.93284%0.839SS**  trans-73.7108.6161.6-82.8-176.9169.7133.7-6.1108.4C833C833-R835 PolarHBondContact O-N 2.82Å
836I43.2Very low42Very low159 Ų159177.6 Ų177.682%0.81584%0.84SS**PPolyproline II helixtrans-69.3128.2167.5-62.4174.3000107.5L834L834-I836 PolarHBondContact O-N 2.85Å
837R46.2Very low42.7Very low223 Ų223177.9 Ų177.984%0.84284%0.842SS**PPolyproline II helixtrans-71.9133.3169.5-84.1-177.5161.8109.2-7.1108.9Q839R837-Q839 PolarHBondContact O-N 2.65Å
838N38.1Very low41.8Very low158 Ų158183.1 Ų183.185%0.84585%0.853SS**PPolyproline II helixtrans-64.8121.8158.9-89.2-32.7000108.6
839Q47Very low41.5Very low181 Ų181188.8 Ų188.885%0.84686%0.864SS**  trans-107.296.4157.5-73.9-175.6-12.500106.7R837R837-Q839 PolarHBondContact O-N 2.65Å
840N41.1Very low41.6Very low161 Ų161189.9 Ų189.986%0.86186%0.86SS**  trans-90.1137.3154.3-84.2-8000107.2
841K37.8Very low41.3Very low274 Ų274189.5 Ų189.5100%1.19186%0.861SS**  trans-147.10177.1-164.5-168.6-180-168.10107.9

Retrieved 841 of 841 residues in 463.6 ms (Link to these results)