A0A087YR97_POEFO Loading...

Zinc finger protein 518B

AlphaFold DB , UniProt , Accession A0A087YR97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 817 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low31Very low245 Ų245154.6 Ų154.6100%1.20783%0.827SS**  0145.20-75171.7166.700109.8
2K34.7Very low30.9Very low196 Ų196151.4 Ų151.485%0.85283%0.826SS**  trans-88.5156143.9-64.6178.2-179.8175.90105.9
3P32.1Very low30.9Very low116 Ų116148.6 Ų148.675%0.75382%0.816SS**  cis-114171.942.36.419.7000112.4
4V32.5Very low30.9Very low125 Ų125148.9 Ų148.976%0.75882%0.816SS**  64.510151.1-1710000114.8
5T27.3Very low31.3Very low135 Ų135144.2 Ų144.283%0.82882%0.816SS**  trans-166.2134.9131.623.60000109.4
6Y33.1Very low31.3Very low238 Ų238143.6 Ų143.693%0.93382%0.816SS**  trans-133.590.9174-154.6-80.8000108.2
7Q28.3Very low31.8Very low178 Ų178145.6 Ų145.683%0.83282%0.816SS**  trans-169148-177.1-108.3163.622.200106.7
8S26.5Very low32.6Very low105 Ų105142.1 Ų142.173%0.73480%0.8SS**  cis-137.9164.913.1-73.50000113.3
9I37.3Very low33.4Very low146 Ų146142.2 Ų142.275%0.74980%0.799SS**  trans-81.5148.5171.8-60.3155.9000109
10P29.8Very low34.1Very low123 Ų123141.6 Ų141.680%0.79979%0.791SS**  -129156.2117.236.7-31.6000111.5
11S25.4Very low34.4Very low94 Ų94139.1 Ų139.166%0.65779%0.789SS**  cis159.8115.2-24.6-98.60000104.7
12S30.1Very low34.7Very low116 Ų116134.3 Ų134.381%0.81177%0.767SS**  trans71.2159.2172.1-123.80000114.8
13V30.6Very low34.9Very low115 Ų115133.6 Ų133.670%0.69777%0.767SS**  cis-135.9143.223.51740000112.4
14N31Very low35.4Very low152 Ų152138 Ų13881%0.81377%0.769SS**  trans50.6114.6162.9-61.9-10.9000119.8
15G36.8Very low36.1Very low79 Ų79140 Ų14081%0.81477%0.774SS**  trans-102.3146.8162.300000112.5
16V30.5Very low37.1Very low134 Ų134139.1 Ų139.181%0.81276%0.764SS**  trans-140.9123.9169.7172.50000109.4
17H41.3Very low37.9Very low178 Ų178131.2 Ų131.282%0.82476%0.755SS**  trans-90.8131.9153.1-115.5-64.9000106.4
18P45.5Very low39Very low82 Ų82129.5 Ų129.553%0.53276%0.757SS.*  -137.8158.883.740.4-28.2000112.2M20P18-M20 VanDerWaalsContact C-N 3.34Å; P18-M20 HydrophobicContact CB-CB 4.21Å; P18-M20 HydrophobicContact CB-CG 3.84Å; P18-M20 HydrophobicContact CG-CB 3.99Å; P18-M20 HydrophobicContact CG-CG 3.85Å
19N47.3Very low40.3Very low144 Ų144127.7 Ų127.777%0.7774%0.744SS**  cis57.530.141.4-15035.3000115.5
20M47.9Very low42.1Very low130 Ų130128.8 Ų128.864%0.6474%0.743SS**  trans-137.424.8175.2-81-70.4163.700113.2P18P18-M20 VanDerWaalsContact C-N 3.34Å; P18-M20 HydrophobicContact CB-CB 4.21Å; P18-M20 HydrophobicContact CB-CG 3.84Å; P18-M20 HydrophobicContact CG-CB 3.99Å; P18-M20 HydrophobicContact CG-CG 3.85Å
21A39.5Very low44.3Very low91 Ų91126.5 Ų126.575%0.75273%0.727SS**SBendtrans-120.1-12.7-169.200000116.5
22L41.7Very low47.1Very low144 Ų144124.8 Ų124.875%0.75471%0.709SS**SBendtrans-110.3-6.9-175.6-156.563.9000114.8
23E37.6Very low49.4Very low181 Ų181126.3 Ų126.385%0.84670%0.698SS**SBendtrans-94.5-5.8178.1-68.4-166.8132.900114.5
24R43.6Very low51.8Low209 Ų209121 Ų12179%0.78967%0.666SS**SBendtrans-105.76.9-174.3-79.4-171.1167.3113.7-0.2116.6
25L47.6Very low53.5Low165 Ų165120.7 Ų120.786%0.86466%0.659SS**SBendtrans-133.42.5174.5-79.6173.9000115.2
26L47.5Very low54.5Low117 Ų117123.5 Ų123.561%0.61365%0.649SS**  trans-115.332.7-179.7-67.1177.1000113.5T28L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 3.21Å
27G50.1Low56.5Low72 Ų72120.5 Ų120.574%0.74263%0.633SS**SBendtrans-70.582.417400000112.7
28T52.1Low58Low143 Ų143114.9 Ų114.988%0.87762%0.624SS**SBendtrans164.8-32.2151.131.40000111.9L26 K30L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 3.21Å; T28-K30 PolarHBondContact O-N 3.49Å
29S53.8Low59.8Low66 Ų66114.8 Ų114.846%0.46262%0.615SS.*  trans-87.296.4-172.1-73.60000113.2V31S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.49Å
30K75.4Confident61.2Low170 Ų170112.1 Ų112.174%0.73960%0.604SS**  trans-73.882.6172.2-173.2179.4178.5173.60111.2T28 M32T28-K30 PolarHBondContact O-N 3.49Å; K30-M32 HydrophobicContact CD-SD 4.39Å; K30-M32 HydrophobicContact CG-SD 4.27Å; K30-M32 PolarHBondContact O-N 3.17Å
31V76Confident63.1Low75 Ų75106.5 Ų106.546%0.45558%0.578SS.*  trans-60.7120.2175.4-175.80000110.4S29 T40 T42S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.49Å; V31-T40 HydrophobicContact CG1-CG2 4.23Å; V31-T42 HydrophobicContact CG2-CG2 3.94Å
32M82.6Confident65.4Low58 Ų58106.4 Ų106.429%0.28657%0.568SS.*EExtended strand (participates in β ladder)trans-93.7126.8173.5-59.9-62.1-60.500109.2K30 T40 S41 F47K30-M32 HydrophobicContact CD-SD 4.39Å; K30-M32 HydrophobicContact CG-SD 4.27Å; K30-M32 PolarHBondContact O-N 3.17Å; M32-T40 WeakPolarHBondContact O-CA 3.36Å; M32-S41 PolarHBondContact N-O 3.33Å; M32-S41 PolarHBondContact O-N 3.39Å; M32-F47 HydrophobicContact CB-CB 3.97Å; M32-F47 HydrophobicContact CB-CD1 3.8Å; M32-F47 HydrophobicContact CB-CD2 3.54Å; M32-F47 HydrophobicContact CB-CE1 4.17Å; M32-F47 HydrophobicContact CB-CE2 3.94Å; M32-F47 HydrophobicContact CB-CG 3.46Å; M32-F47 VanDerWaalsContact CB-CG 3.46Å; M32-F47 HydrophobicContact CB-CZ 4.23Å; M32-F47 HydrophobicContact CE-CD1 4.11Å; M32-F47 HydrophobicContact CE-CE1 3.98Å; M32-F47 HydrophobicContact CG-CB 4.49Å; M32-F47 HydrophobicContact CG-CD1 4.36Å; M32-F47 HydrophobicContact CG-CG 4.28Å
33Y80.3Confident67.4Low148 Ų148102.3 Ų102.358%0.5855%0.547SS*.EExtended strand (participates in β ladder)trans-115.5141.5-17669.7-82.2000111.5E35 F39 F47Y33-E35 HydrophobicContact CD2-CG 4.14Å; Y33-E35 HydrophobicContact CE2-CG 3.56Å; Y33-F39 CarbonylContact C-O 3.43Å; Y33-F39 WeakPolarHBondContact CA-O 3.47Å; Y33-F47 VanDerWaalsContact C-CE2 3.45Å; Y33-F47 WeakPolarHBondContact O-CZ 3.36Å
34C79.1Confident69.5Low3 Ų397.1 Ų97.12%0.0253%0.529CS..  trans-100106-178.3-1740000111.3K36 C37 G38 F39 F47 H50C34-K36 PolarHBondContact O-N 3.27Å; C34-C37 PolarHBondContact O-N 2.58Å; C34-G38 PolarHBondContact O-N 3.07Å; C34-F39 HydrophobicContact CB-CB 4.21Å; C34-F39 PolarHBondContact N-O 3.42Å; C34-F47 HydrophobicContact CB-CE2 3.98Å; C34-F47 HydrophobicContact CB-CZ 4.49Å; C34-H50 WeakPolarHBondContact CB-NE2 3.46Å; C34-H50 PolarHBondContact SG-NE2 3.42Å
35E67.1Low71.5Confident145 Ų14591.7 Ų91.768%0.67852%0.519SS*.THydrogen-bonded Turntrans-58.3-14.2177.4-67.7-174161.100114.2Y33Y33-E35 HydrophobicContact CD2-CG 4.14Å; Y33-E35 HydrophobicContact CE2-CG 3.56Å
36K57.5Low73.2Confident138 Ų13886.8 Ų86.860%0.650%0.496SS*.THydrogen-bonded Turntrans-87.5-20.9-179.5-64.2-178.7176.2-179.40114.7C34 H54C34-K36 PolarHBondContact O-N 3.27Å; K36-H54 HydrophobicContact CD-CB 3.99Å
37C72.9Confident75.1Confident71 Ų7182.3 Ų82.348%0.4847%0.471SS..THydrogen-bonded Turntrans-151.9-6.8-17166.10000115.4C34 F39 H50 H54C34-C37 PolarHBondContact O-N 2.58Å; C37-F39 VanDerWaalsContact C-N 3.32Å; C37-F39 PolarHBondContact O-N 3.11Å; C37-F39 VanDerWaalsContact SG-CB 3.53Å; C37-F39 PolarHBondContact SG-N 2.8Å; C37-H50 PolarHBondContact SG-CE1 3.17Å; C37-H50 PolarHBondContact SG-NE2 3.14Å; C37-H54 PolarHBondContact SG-NE2 3.28Å
38G73.4Confident76.5Confident61 Ų6185.7 Ų85.763%0.62947%0.466SS*.  trans81.50.7-177.700000115.4C34 T40C34-G38 PolarHBondContact O-N 3.07Å; G38-T40 PolarHBondContact O-N 3.04Å
39F81.9Confident77.9Confident79 Ų7982.6 Ų82.635%0.34645%0.446SS..  trans-61.2132.1176.2179.6-103.3000111.6Y33 C34 C37 V46 H50Y33-F39 CarbonylContact C-O 3.43Å; Y33-F39 WeakPolarHBondContact CA-O 3.47Å; C34-F39 HydrophobicContact CB-CB 4.21Å; C34-F39 PolarHBondContact N-O 3.42Å; C37-F39 VanDerWaalsContact C-N 3.32Å; C37-F39 PolarHBondContact O-N 3.11Å; C37-F39 VanDerWaalsContact SG-CB 3.53Å; C37-F39 PolarHBondContact SG-N 2.8Å; F39-V46 HydrophobicContact CE1-CG1 4.07Å; F39-V46 HydrophobicContact CZ-CG1 3.79Å; F39-H50 HydrophobicContact CD1-CB 4.04Å; F39-H50 AromaticContact CD1-CD2 3.45Å; F39-H50 VanDerWaalsContact CD1-CD2 3.45Å; F39-H50 WeakPolarHBondContact CD1-CD2 3.3Å; F39-H50 AromaticContact CD1-CE1 3.92Å; F39-H50 AromaticContact CD1-CG 3.43Å; F39-H50 VanDerWaalsContact CD1-CG 3.43Å; F39-H50 AromaticContact CD1-ND1 3.74Å; F39-H50 AromaticContact CD1-NE2 3.78Å; F39-H50 HydrophobicContact CE1-CB 3.88Å; F39-H50 AromaticContact CE1-CG 3.79Å; F39-H50 AromaticContact CG-CE1 3.85Å; F39-H50 AromaticContact CG-ND1 3.93Å; F39-H50 AromaticContact CG-NE2 3.97Å
40T78.6Confident79.3Confident88 Ų8880.6 Ų80.654%0.5443%0.43SS..EExtended strand (participates in β ladder)trans-120.8133.5178.447.70000110.4V31 M32 G38V31-T40 HydrophobicContact CG1-CG2 4.23Å; M32-T40 WeakPolarHBondContact O-CA 3.36Å; G38-T40 PolarHBondContact O-N 3.04Å
41S86.3Confident79.2Confident13 Ų1375.8 Ų75.89%0.09141%0.411CS..EExtended strand (participates in β ladder)trans-138.1133.3177.4179.10000110.5M32 D43M32-S41 PolarHBondContact N-O 3.33Å; M32-S41 PolarHBondContact O-N 3.39Å; S41-D43 VanDerWaalsContact C-N 3.32Å; S41-D43 PolarHBondContact OG-N 2.89Å; S41-D43 VanDerWaalsContact OG-N 3.11Å; S41-D43 PolarHBondContact OG-O 2.94Å
42T88.1Confident79.4Confident88 Ų8877.4 Ų77.454%0.5442%0.416SS..SBendtrans-71.8-29.1166.843.20000112.1V31V31-T42 HydrophobicContact CG2-CG2 3.94Å
43D83Confident78.6Confident59 Ų5979.2 Ų79.232%0.31642%0.423SS..  trans-86.2121.6178172.625.9000111.5S41 V45 V46 F47S41-D43 VanDerWaalsContact C-N 3.32Å; S41-D43 PolarHBondContact OG-N 2.89Å; S41-D43 VanDerWaalsContact OG-N 3.11Å; S41-D43 PolarHBondContact OG-O 2.94Å; D43-V45 VanDerWaalsContact C-N 3.27Å; D43-V45 PolarHBondContact O-N 2.84Å; D43-V45 WeakPolarHBondContact OD1-CB 3.43Å; D43-V45 PolarHBondContact OD1-N 2.9Å; D43-V45 WeakPolarHBondContact OD2-CB 3.19Å; D43-V46 HydrophobicContact CB-CB 4.23Å; D43-V46 HydrophobicContact CB-CG2 4.49Å; D43-V46 WeakPolarHBondContact OD2-CB 3.38Å; D43-V46 VanDerWaalsContact OD2-CG2 3.23Å; D43-V46 WeakPolarHBondContact OD2-CG2 3.33Å; D43-V46 PolarHBondContact OD2-N 2.77Å; D43-F47 WeakPolarHBondContact O-CB 3.4Å; D43-F47 PolarHBondContact O-N 3.45Å
44P82.2Confident77.9Confident72 Ų7273 Ų7347%0.46840%0.4SS..Hα-helixtrans-69.6-16.6174.130.2-36.6000114.1K48P44-K48 WeakPolarHBondContact O-CB 3.35Å; P44-K48 WeakPolarHBondContact O-CG 3.47Å; P44-K48 PolarHBondContact O-N 3.39Å
45V85.7Confident77Confident94 Ų9475.3 Ų75.357%0.5743%0.425SS*.Hα-helixtrans-76.1-53.3174.7-176.10000110.1D43 F47 K48 T49D43-V45 VanDerWaalsContact C-N 3.27Å; D43-V45 PolarHBondContact O-N 2.84Å; D43-V45 WeakPolarHBondContact OD1-CB 3.43Å; D43-V45 PolarHBondContact OD1-N 2.9Å; D43-V45 WeakPolarHBondContact OD2-CB 3.19Å; V45-F47 PolarHBondContact O-N 3.46Å; V45-K48 WeakPolarHBondContact O-CA 3.39Å; V45-K48 WeakPolarHBondContact O-CB 3.43Å; V45-K48 PolarHBondContact O-N 2.89Å; V45-T49 PolarHBondContact O-N 3.37Å; V45-T49 PolarHBondContact O-OG1 2.86Å
46V84.6Confident76.9Confident63 Ų6371.7 Ų71.738%0.38241%0.412SS..Hα-helixtrans-56.4-37.6170166.60000111.7F39 D43 K48 T49 H50F39-V46 HydrophobicContact CE1-CG1 4.07Å; F39-V46 HydrophobicContact CZ-CG1 3.79Å; D43-V46 HydrophobicContact CB-CB 4.23Å; D43-V46 HydrophobicContact CB-CG2 4.49Å; D43-V46 WeakPolarHBondContact OD2-CB 3.38Å; D43-V46 VanDerWaalsContact OD2-CG2 3.23Å; D43-V46 WeakPolarHBondContact OD2-CG2 3.33Å; D43-V46 PolarHBondContact OD2-N 2.77Å; V46-K48 PolarHBondContact O-N 3.22Å; V46-T49 WeakPolarHBondContact CA-OG1 3.12Å; V46-T49 PolarHBondContact O-OG1 3.44Å; V46-T49 VanDerWaalsContact O-OG1 3.04Å; V46-H50 WeakPolarHBondContact O-CB 3.46Å; V46-H50 PolarHBondContact O-N 3.38Å
47F85.6Confident77.3Confident23 Ų2368.4 Ų68.410%0.10140%0.396CS..Hα-helixtrans-64.7-37.3173.3-169.8-103.3000112.9M32 Y33 C34 D43 V45 M51M32-F47 HydrophobicContact CB-CB 3.97Å; M32-F47 HydrophobicContact CB-CD1 3.8Å; M32-F47 HydrophobicContact CB-CD2 3.54Å; M32-F47 HydrophobicContact CB-CE1 4.17Å; M32-F47 HydrophobicContact CB-CE2 3.94Å; M32-F47 HydrophobicContact CB-CG 3.46Å; M32-F47 VanDerWaalsContact CB-CG 3.46Å; M32-F47 HydrophobicContact CB-CZ 4.23Å; M32-F47 HydrophobicContact CE-CD1 4.11Å; M32-F47 HydrophobicContact CE-CE1 3.98Å; M32-F47 HydrophobicContact CG-CB 4.49Å; M32-F47 HydrophobicContact CG-CD1 4.36Å; M32-F47 HydrophobicContact CG-CG 4.28Å; Y33-F47 VanDerWaalsContact C-CE2 3.45Å; Y33-F47 WeakPolarHBondContact O-CZ 3.36Å; C34-F47 HydrophobicContact CB-CE2 3.98Å; C34-F47 HydrophobicContact CB-CZ 4.49Å; D43-F47 WeakPolarHBondContact O-CB 3.4Å; D43-F47 PolarHBondContact O-N 3.45Å; V45-F47 PolarHBondContact O-N 3.46Å; F47-M51 HydrophobicContact CD1-CG 3.96Å; F47-M51 HydrophobicContact CE1-CG 3.66Å; F47-M51 HydrophobicContact CE1-SD 3.89Å; F47-M51 HydrophobicContact CZ-CG 4.04Å; F47-M51 HydrophobicContact CZ-SD 4.01Å; F47-M51 WeakPolarHBondContact O-CB 3.26Å; F47-M51 WeakPolarHBondContact O-CG 3.25Å; F47-M51 PolarHBondContact O-N 3.29Å
48K80.7Confident77.2Confident143 Ų14368.1 Ų68.162%0.62239%0.387SS*.Hα-helixtrans-70.6-42176.4-81.3171.2179.9177.60112.7P44 V45 V46 H50 M51 I52P44-K48 WeakPolarHBondContact O-CB 3.35Å; P44-K48 WeakPolarHBondContact O-CG 3.47Å; P44-K48 PolarHBondContact O-N 3.39Å; V45-K48 WeakPolarHBondContact O-CA 3.39Å; V45-K48 WeakPolarHBondContact O-CB 3.43Å; V45-K48 PolarHBondContact O-N 2.89Å; V46-K48 PolarHBondContact O-N 3.22Å; K48-H50 VanDerWaalsContact C-N 3.34Å; K48-M51 PolarHBondContact O-N 2.98Å; K48-I52 VanDerWaalsContact O-CG1 3.31Å; K48-I52 WeakPolarHBondContact O-CG1 3.43Å; K48-I52 PolarHBondContact O-N 3.14Å
49T80.8Confident77Confident77 Ų7770.6 Ų70.647%0.47238%0.378SS..Hα-helixtrans-64.7-41.6175.554.50000110.9V45 V46 M51 I52 E53V45-T49 PolarHBondContact O-N 3.37Å; V45-T49 PolarHBondContact O-OG1 2.86Å; V46-T49 WeakPolarHBondContact CA-OG1 3.12Å; V46-T49 PolarHBondContact O-OG1 3.44Å; V46-T49 VanDerWaalsContact O-OG1 3.04Å; T49-M51 VanDerWaalsContact C-N 3.35Å; T49-M51 PolarHBondContact O-N 2.95Å; T49-I52 WeakPolarHBondContact O-CB 3.29Å; T49-I52 PolarHBondContact O-N 3.04Å; T49-I52 VanDerWaalsContact O-N 3.11Å; T49-E53 PolarHBondContact O-N 3.06Å
50H82.8Confident76.7Confident25 Ų2566.9 Ų66.912%0.11636%0.362CS..Hα-helixtrans-59.5-40.1170.2174.172.4000113.2C34 C37 F39 V46 K48 I52 E53 H54C34-H50 WeakPolarHBondContact CB-NE2 3.46Å; C34-H50 PolarHBondContact SG-NE2 3.42Å; C37-H50 PolarHBondContact SG-CE1 3.17Å; C37-H50 PolarHBondContact SG-NE2 3.14Å; F39-H50 HydrophobicContact CD1-CB 4.04Å; F39-H50 AromaticContact CD1-CD2 3.45Å; F39-H50 VanDerWaalsContact CD1-CD2 3.45Å; F39-H50 WeakPolarHBondContact CD1-CD2 3.3Å; F39-H50 AromaticContact CD1-CE1 3.92Å; F39-H50 AromaticContact CD1-CG 3.43Å; F39-H50 VanDerWaalsContact CD1-CG 3.43Å; F39-H50 AromaticContact CD1-ND1 3.74Å; F39-H50 AromaticContact CD1-NE2 3.78Å; F39-H50 HydrophobicContact CE1-CB 3.88Å; F39-H50 AromaticContact CE1-CG 3.79Å; F39-H50 AromaticContact CG-CE1 3.85Å; F39-H50 AromaticContact CG-ND1 3.93Å; F39-H50 AromaticContact CG-NE2 3.97Å; V46-H50 WeakPolarHBondContact O-CB 3.46Å; V46-H50 PolarHBondContact O-N 3.38Å; K48-H50 VanDerWaalsContact C-N 3.34Å; H50-I52 VanDerWaalsContact C-N 3.33Å; H50-I52 PolarHBondContact O-N 3.46Å; H50-E53 VanDerWaalsContact O-CB 3.31Å; H50-E53 WeakPolarHBondContact O-CB 3.43Å; H50-E53 PolarHBondContact O-N 2.87Å; H50-H54 AromaticContact CE1-CD2 3.53Å; H50-H54 AromaticContact CE1-NE2 3.39Å; H50-H54 PolarHBondContact CE1-NE2 3.23Å; H50-H54 AromaticContact NE2-CD2 3.3Å; H50-H54 PolarHBondContact NE2-CD2 3.28Å; H50-H54 VanDerWaalsContact NE2-CD2 3.3Å; H50-H54 AromaticContact NE2-NE2 3.39Å; H50-H54 PolarHBondContact NE2-NE2 3.43Å; H50-H54 PolarHBondContact O-N 3.44Å; H50-H54 VanDerWaalsContact O-N 3.16Å
51M75Confident75.8Confident68 Ų6871 Ų7134%0.33537%0.373SS..Hα-helixtrans-66.6-32.4173.5-73-96.473.400112.7F47 K48 T49 H54 G55F47-M51 HydrophobicContact CD1-CG 3.96Å; F47-M51 HydrophobicContact CE1-CG 3.66Å; F47-M51 HydrophobicContact CE1-SD 3.89Å; F47-M51 HydrophobicContact CZ-CG 4.04Å; F47-M51 HydrophobicContact CZ-SD 4.01Å; F47-M51 WeakPolarHBondContact O-CB 3.26Å; F47-M51 WeakPolarHBondContact O-CG 3.25Å; F47-M51 PolarHBondContact O-N 3.29Å; K48-M51 PolarHBondContact O-N 2.98Å; T49-M51 VanDerWaalsContact C-N 3.35Å; T49-M51 PolarHBondContact O-N 2.95Å; M51-H54 HydrophobicContact CE-CB 4.26Å; M51-H54 CarbonylContact O-C 3.59Å; M51-H54 PolarHBondContact O-N 2.96Å; M51-G55 PolarHBondContact O-N 3.03Å
52I78.3Confident74.5Confident110 Ų11076.3 Ų76.356%0.56439%0.392SS*.Hα-helixtrans-69.2-38.8173.5-69.3161.6000110.7K48 T49 H50 H54 G55 T56K48-I52 VanDerWaalsContact O-CG1 3.31Å; K48-I52 WeakPolarHBondContact O-CG1 3.43Å; K48-I52 PolarHBondContact O-N 3.14Å; T49-I52 WeakPolarHBondContact O-CB 3.29Å; T49-I52 PolarHBondContact O-N 3.04Å; T49-I52 VanDerWaalsContact O-N 3.11Å; H50-I52 VanDerWaalsContact C-N 3.33Å; H50-I52 PolarHBondContact O-N 3.46Å; I52-H54 PolarHBondContact O-N 2.86Å; I52-G55 CarbonylContact O-C 3.51Å; I52-G55 VanDerWaalsContact O-CA 3.32Å; I52-G55 WeakPolarHBondContact O-CA 3.24Å; I52-G55 PolarHBondContact O-N 3.39Å; I52-T56 PolarHBondContact O-N 3.42Å; I52-T56 PolarHBondContact O-OG1 3.34Å
53E65.9Low73.5Confident95 Ų9572.7 Ų72.744%0.44437%0.37SS..Hα-helixtrans-60.1-23.2168.5-95.3-159.1-121.500114.1T49 H50 R57T49-E53 PolarHBondContact O-N 3.06Å; H50-E53 VanDerWaalsContact O-CB 3.31Å; H50-E53 WeakPolarHBondContact O-CB 3.43Å; H50-E53 PolarHBondContact O-N 2.87Å; E53-R57 VanDerWaalsContact O-CD 3.24Å; E53-R57 WeakPolarHBondContact O-CD 3.45Å; E53-R57 WeakPolarHBondContact O-CG 3.46Å; E53-R57 PolarHBondContact O-NH1 2.87Å; E53-R57 IonicContact OE2-CZ 3.11Å; E53-R57 IonicContact OE2-NH1 2.68Å; E53-R57 PolarHBondContact OE2-NH1 3.44Å; E53-R57 IonicContact OE2-NH2 2.72Å; E53-R57 PolarHBondContact OE2-NH2 3.4Å
54H66Low72.6Confident17 Ų1776 Ų768%0.07939%0.388CS..THydrogen-bonded Turntrans-93.2-7.5168.6-82.6-61.3000113.8K36 C37 H50 M51 I52K36-H54 HydrophobicContact CD-CB 3.99Å; C37-H54 PolarHBondContact SG-NE2 3.28Å; H50-H54 AromaticContact CE1-CD2 3.53Å; H50-H54 AromaticContact CE1-NE2 3.39Å; H50-H54 PolarHBondContact CE1-NE2 3.23Å; H50-H54 AromaticContact NE2-CD2 3.3Å; H50-H54 PolarHBondContact NE2-CD2 3.28Å; H50-H54 VanDerWaalsContact NE2-CD2 3.3Å; H50-H54 AromaticContact NE2-NE2 3.39Å; H50-H54 PolarHBondContact NE2-NE2 3.43Å; H50-H54 PolarHBondContact O-N 3.44Å; H50-H54 VanDerWaalsContact O-N 3.16Å; M51-H54 HydrophobicContact CE-CB 4.26Å; M51-H54 CarbonylContact O-C 3.59Å; M51-H54 PolarHBondContact O-N 2.96Å; I52-H54 PolarHBondContact O-N 2.86Å
55G61.5Low71.9Confident53 Ų5374.1 Ų74.155%0.54638%0.378SS..THydrogen-bonded Turntrans-89.7-25.217200000112.9M51 I52M51-G55 PolarHBondContact O-N 3.03Å; I52-G55 CarbonylContact O-C 3.51Å; I52-G55 VanDerWaalsContact O-CA 3.32Å; I52-G55 WeakPolarHBondContact O-CA 3.24Å; I52-G55 PolarHBondContact O-N 3.39Å
56T63.8Low71.5Confident69 Ų6973.8 Ų73.842%0.42337%0.371SS..SBendtrans-94.116.8175.255.50000113.7I52 F68I52-T56 PolarHBondContact O-N 3.42Å; I52-T56 PolarHBondContact O-OG1 3.34Å; T56-F68 WeakPolarHBondContact O-CA 3.33Å
57R66.5Low71.2Confident69 Ų6971.2 Ų71.226%0.2636%0.356SS..  trans-127101.2179.1-71.6177.3176.7120.6-5.3110.2E53 Y59 M66 F68E53-R57 VanDerWaalsContact O-CD 3.24Å; E53-R57 WeakPolarHBondContact O-CD 3.45Å; E53-R57 WeakPolarHBondContact O-CG 3.46Å; E53-R57 PolarHBondContact O-NH1 2.87Å; E53-R57 IonicContact OE2-CZ 3.11Å; E53-R57 IonicContact OE2-NH1 2.68Å; E53-R57 PolarHBondContact OE2-NH1 3.44Å; E53-R57 IonicContact OE2-NH2 2.72Å; E53-R57 PolarHBondContact OE2-NH2 3.4Å; R57-Y59 HydrophobicContact CB-CE2 4Å; R57-Y59 VanDerWaalsContact O-CD2 3.26Å; R57-Y59 WeakPolarHBondContact O-CD2 3.36Å; R57-Y59 VanDerWaalsContact O-CE2 3.22Å; R57-Y59 WeakPolarHBondContact O-CE2 3.49Å; R57-M66 HydrophobicContact CB-CG 4.14Å; R57-M66 HydrophobicContact CB-SD 4.3Å; R57-M66 VanDerWaalsContact CD-SD 3.53Å; R57-M66 HydrophobicContact CG-CG 4.17Å; R57-M66 HydrophobicContact CG-SD 3.82Å; R57-F68 HydrophobicContact CG-CD1 4.26Å; R57-F68 HydrophobicContact CG-CE1 4.09Å
58F69.8Low70.8Confident64 Ų6476 Ų7628%0.28138%0.377SS..EExtended strand (participates in β ladder)trans-85135.7175.9-65.6-92.2000109.7M66 S67 S69 E70 L73F58-M66 CarbonylContact O-C 3.6Å; F58-M66 WeakPolarHBondContact O-CA 3.29Å; F58-S67 PolarHBondContact N-O 3.46Å; F58-S67 PolarHBondContact O-N 3.26Å; F58-S69 VanDerWaalsContact CD2-C 3.42Å; F58-E70 HydrophobicContact CD1-CB 4.47Å; F58-E70 HydrophobicContact CE1-CB 3.87Å; F58-E70 HydrophobicContact CE1-CG 4.46Å; F58-E70 HydrophobicContact CE2-CB 4.41Å; F58-E70 HydrophobicContact CZ-CB 3.84Å; F58-L73 HydrophobicContact CB-CB 3.96Å; F58-L73 HydrophobicContact CB-CD2 3.91Å; F58-L73 HydrophobicContact CB-CG 4.38Å; F58-L73 HydrophobicContact CD1-CD2 4.1Å; F58-L73 HydrophobicContact CG-CB 4.48Å; F58-L73 HydrophobicContact CG-CD2 4.42Å
59Y70.3Confident70.5Confident113 Ų11371 Ų7144%0.44336%0.36SS..EExtended strand (participates in β ladder)trans-117.2126.9-177.3-65.7-94.2000111.2R57 F61 A65 M66R57-Y59 HydrophobicContact CB-CE2 4Å; R57-Y59 VanDerWaalsContact O-CD2 3.26Å; R57-Y59 WeakPolarHBondContact O-CD2 3.36Å; R57-Y59 VanDerWaalsContact O-CE2 3.22Å; R57-Y59 WeakPolarHBondContact O-CE2 3.49Å; Y59-F61 PolarHBondContact O-N 3.23Å; Y59-A65 WeakPolarHBondContact CA-O 3.49Å; Y59-M66 HydrophobicContact CE1-CB 4.49Å; Y59-M66 HydrophobicContact CE1-CE 3.89Å; Y59-M66 HydrophobicContact CE1-CG 4.37Å
60C76.4Confident70.1Confident1 Ų173.2 Ų73.21%0.00737%0.365CS..  trans-73.3114.1175.4-178.20000111.6Y62 C63 N64 A65 L73 H76 H80C60-Y62 VanDerWaalsContact C-N 3.27Å; C60-Y62 PolarHBondContact O-N 3.37Å; C60-Y62 VanDerWaalsContact O-N 3.17Å; C60-C63 HydrophobicContact CB-CB 4.22Å; C60-C63 PolarHBondContact O-N 2.79Å; C60-N64 WeakPolarHBondContact O-CA 3.08Å; C60-N64 PolarHBondContact O-N 3.04Å; C60-A65 HydrophobicContact CB-CB 4.4Å; C60-A65 PolarHBondContact N-O 3.27Å; C60-L73 HydrophobicContact CB-CD1 4.06Å; C60-H76 VanDerWaalsContact CB-CD2 3.44Å; C60-H76 WeakPolarHBondContact CB-CD2 3.01Å; C60-H76 PolarHBondContact SG-CD2 2.87Å; C60-H76 PolarHBondContact SG-NE2 3.12Å; C60-H76 VanDerWaalsContact SG-NE2 3.42Å; C60-H80 PolarHBondContact SG-NE2 3.44Å
61F58.6Low69.9Low176 Ų17677.2 Ų77.277%0.77239%0.391SS*.THydrogen-bonded Turntrans-53.3-37.8-179.1-178.6-101.2000114.6Y59 C63Y59-F61 PolarHBondContact O-N 3.23Å; F61-C63 VanDerWaalsContact C-N 3.27Å; F61-C63 PolarHBondContact O-N 3.31Å
62Y60Low70Confident123 Ų12377.8 Ų77.848%0.48239%0.393SS..THydrogen-bonded Turntrans-75.3-13-177.6-57.6-66.5000114.5C60 L77 H80C60-Y62 VanDerWaalsContact C-N 3.27Å; C60-Y62 PolarHBondContact O-N 3.37Å; C60-Y62 VanDerWaalsContact O-N 3.17Å; Y62-L77 HydrophobicContact CD2-CD2 3.94Å; Y62-L77 HydrophobicContact CE2-CD2 3.88Å; Y62-H80 WeakPolarHBondContact CB-ND1 3.21Å; Y62-H80 HydrophobicContact CD2-CB 4.13Å; Y62-H80 AromaticContact CD2-CG 3.75Å; Y62-H80 AromaticContact CD2-ND1 3.69Å; Y62-H80 HydrophobicContact CE2-CB 4.45Å; Y62-H80 AromaticContact CG-ND1 3.75Å
63C67.2Low70.2Confident12 Ų1273.9 Ų73.98%0.08137%0.373CS..THydrogen-bonded Turntrans-152.2-18.7-151.3143.20000115.1C60 F61 A65 H76 R97C60-C63 HydrophobicContact CB-CB 4.22Å; C60-C63 PolarHBondContact O-N 2.79Å; F61-C63 VanDerWaalsContact C-N 3.27Å; F61-C63 PolarHBondContact O-N 3.31Å; C63-A65 PolarHBondContact O-N 3.44Å; C63-A65 VanDerWaalsContact O-N 3.13Å; C63-A65 WeakPolarHBondContact SG-CB 3.4Å; C63-A65 PolarHBondContact SG-N 3.01Å; C63-A65 VanDerWaalsContact SG-N 3.39Å; C63-H76 PolarHBondContact SG-NE2 3.46Å; C63-R97 PolarHBondContact O-NH1 3.05Å; C63-R97 PolarHBondContact SG-NH2 2.96Å
64N63.9Low70.8Confident130 Ų13073 Ų7370%0.69537%0.371SS*.  trans53.720.5-174.6-61.919.3000114.6C60C60-N64 WeakPolarHBondContact O-CA 3.08Å; C60-N64 PolarHBondContact O-N 3.04Å
65A66.9Low71.4Confident31 Ų3177.9 Ų77.926%0.25639%0.394SS..  trans-62.9142.1163.500000109.5Y59 C60 C63Y59-A65 WeakPolarHBondContact CA-O 3.49Å; C60-A65 HydrophobicContact CB-CB 4.4Å; C60-A65 PolarHBondContact N-O 3.27Å; C63-A65 PolarHBondContact O-N 3.44Å; C63-A65 VanDerWaalsContact O-N 3.13Å; C63-A65 WeakPolarHBondContact SG-CB 3.4Å; C63-A65 PolarHBondContact SG-N 3.01Å; C63-A65 VanDerWaalsContact SG-N 3.39Å
66M76.6Confident72.3Confident87 Ų8776.9 Ų76.943%0.42938%0.375SS..EExtended strand (participates in β ladder)trans-100.3129.2176.4-173.3-172-60.100108.4R57 F58 Y59 F68R57-M66 HydrophobicContact CB-CG 4.14Å; R57-M66 HydrophobicContact CB-SD 4.3Å; R57-M66 VanDerWaalsContact CD-SD 3.53Å; R57-M66 HydrophobicContact CG-CG 4.17Å; R57-M66 HydrophobicContact CG-SD 3.82Å; F58-M66 CarbonylContact O-C 3.6Å; F58-M66 WeakPolarHBondContact O-CA 3.29Å; Y59-M66 HydrophobicContact CE1-CB 4.49Å; Y59-M66 HydrophobicContact CE1-CE 3.89Å; Y59-M66 HydrophobicContact CE1-CG 4.37Å; M66-F68 HydrophobicContact SD-CE1 4.23Å; M66-F68 HydrophobicContact SD-CZ 4Å
67S79.9Confident72.7Confident10 Ų1075.8 Ų75.87%0.0737%0.366CS..EExtended strand (participates in β ladder)trans-120.1147.3174.1-650000108.7F58F58-S67 PolarHBondContact N-O 3.46Å; F58-S67 PolarHBondContact O-N 3.26Å
68F76.6Confident73.2Confident124 Ų12479.1 Ų79.154%0.54438%0.383SS..SBendtrans-96.5-12.7-176.3-64.3-83.7000113T56 R57 M66 E72T56-F68 WeakPolarHBondContact O-CA 3.33Å; R57-F68 HydrophobicContact CG-CD1 4.26Å; R57-F68 HydrophobicContact CG-CE1 4.09Å; M66-F68 HydrophobicContact SD-CE1 4.23Å; M66-F68 HydrophobicContact SD-CZ 4Å; F68-E72 PolarHBondContact N-OE2 3.46Å
69S73.6Confident73Confident37 Ų3781 Ų8126%0.25939%0.392SS..SBendtrans-130.3159.3169.5690000113.2F58 V71 E72 L73F58-S69 VanDerWaalsContact CD2-C 3.42Å; S69-V71 PolarHBondContact O-N 2.72Å; S69-E72 VanDerWaalsContact CB-OE1 3.25Å; S69-E72 WeakPolarHBondContact CB-OE1 3.4Å; S69-E72 PolarHBondContact N-OE1 2.73Å; S69-E72 VanDerWaalsContact N-OE1 3.09Å; S69-E72 PolarHBondContact O-N 2.73Å; S69-E72 VanDerWaalsContact OG-CG 3.31Å; S69-E72 WeakPolarHBondContact OG-CG 3.45Å; S69-E72 PolarHBondContact OG-N 3.42Å; S69-E72 VanDerWaalsContact OG-N 3.13Å; S69-E72 PolarHBondContact OG-OE1 2.8Å; S69-L73 PolarHBondContact O-N 3.05Å
70E72.6Confident72.8Confident123 Ų12375.8 Ų75.858%0.57537%0.372SS*.Hα-helixtrans-64.7-28171.6-178.7173.6-177.100112F58 L73 N74F58-E70 HydrophobicContact CD1-CB 4.47Å; F58-E70 HydrophobicContact CE1-CB 3.87Å; F58-E70 HydrophobicContact CE1-CG 4.46Å; F58-E70 HydrophobicContact CE2-CB 4.41Å; F58-E70 HydrophobicContact CZ-CB 3.84Å; E70-L73 PolarHBondContact O-N 3.35Å; E70-N74 WeakPolarHBondContact CG-ND2 3.4Å; E70-N74 WeakPolarHBondContact O-CB 3.02Å; E70-N74 PolarHBondContact O-N 3.35Å; E70-N74 PolarHBondContact O-ND2 3.02Å
71V78.8Confident72.2Confident109 Ų10980.9 Ų80.966%0.66140%0.403SS*.Hα-helixtrans-68.8-47.9176.5-177.20000110.3S69 L73 N74 E75S69-V71 PolarHBondContact O-N 2.72Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.09Å; V71-N74 PolarHBondContact O-N 3.1Å; V71-E75 PolarHBondContact O-N 2.74Å
72E78Confident72.2Confident81 Ų8176.7 Ų76.738%0.37940%0.396SS..Hα-helixtrans-58.8-42.9171.8-73.4153.9-114.800112F68 S69 E75 H76F68-E72 PolarHBondContact N-OE2 3.46Å; S69-E72 VanDerWaalsContact CB-OE1 3.25Å; S69-E72 WeakPolarHBondContact CB-OE1 3.4Å; S69-E72 PolarHBondContact N-OE1 2.73Å; S69-E72 VanDerWaalsContact N-OE1 3.09Å; S69-E72 PolarHBondContact O-N 2.73Å; S69-E72 VanDerWaalsContact OG-CG 3.31Å; S69-E72 WeakPolarHBondContact OG-CG 3.45Å; S69-E72 PolarHBondContact OG-N 3.42Å; S69-E72 VanDerWaalsContact OG-N 3.13Å; S69-E72 PolarHBondContact OG-OE1 2.8Å; E72-E75 PolarHBondContact O-N 3.48Å; E72-H76 WeakPolarHBondContact O-CB 3.35Å; E72-H76 PolarHBondContact O-N 2.66Å
73L81.1Confident72.3Confident27 Ų2778.6 Ų78.614%0.14141%0.406CS..Hα-helixtrans-62.3-44.8176.8176.663.3000110.6F58 C60 S69 E70 V71 H76 L77F58-L73 HydrophobicContact CB-CB 3.96Å; F58-L73 HydrophobicContact CB-CD2 3.91Å; F58-L73 HydrophobicContact CB-CG 4.38Å; F58-L73 HydrophobicContact CD1-CD2 4.1Å; F58-L73 HydrophobicContact CG-CB 4.48Å; F58-L73 HydrophobicContact CG-CD2 4.42Å; C60-L73 HydrophobicContact CB-CD1 4.06Å; S69-L73 PolarHBondContact O-N 3.05Å; E70-L73 PolarHBondContact O-N 3.35Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.09Å; L73-H76 PolarHBondContact O-N 3.35Å; L73-L77 HydrophobicContact CD1-CD1 4.17Å; L73-L77 HydrophobicContact CD1-CG 4.1Å; L73-L77 HydrophobicContact CD2-CD1 4.41Å; L73-L77 HydrophobicContact CG-CD1 3.9Å; L73-L77 HydrophobicContact CG-CG 4.28Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 WeakPolarHBondContact O-CG 3.11Å; L73-L77 PolarHBondContact O-N 2.91Å
74N77.9Confident72.8Confident76 Ų7681.5 Ų81.541%0.40642%0.416SS..Hα-helixtrans-68-36.8179.5-83.1-59.6000112.8E70 V71 L77 K78E70-N74 WeakPolarHBondContact CG-ND2 3.4Å; E70-N74 WeakPolarHBondContact O-CB 3.02Å; E70-N74 PolarHBondContact O-N 3.35Å; E70-N74 PolarHBondContact O-ND2 3.02Å; V71-N74 PolarHBondContact O-N 3.1Å; N74-L77 PolarHBondContact O-N 3.05Å; N74-K78 WeakPolarHBondContact O-CG 3.38Å; N74-K78 PolarHBondContact O-N 3.34Å; N74-K78 VanDerWaalsContact O-N 3.09Å
75E78.9Confident73.4Confident120 Ų12079.6 Ų79.656%0.56141%0.411SS*.Hα-helixtrans-65.5-45.5171.5-172.4178.8167.100111.4V71 E72 L77 K78 Q79V71-E75 PolarHBondContact O-N 2.74Å; E72-E75 PolarHBondContact O-N 3.48Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.28Å; E75-K78 WeakPolarHBondContact O-CB 3.43Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 VanDerWaalsContact O-N 3.15Å; E75-Q79 PolarHBondContact O-N 3.07Å
76H80.3Confident74.1Confident32 Ų3281.7 Ų81.715%0.14841%0.414CS..Hα-helixtrans-59.4-40.3173.8179.866.1000111.5C60 C63 E72 L73 K78 Q79 H80C60-H76 VanDerWaalsContact CB-CD2 3.44Å; C60-H76 WeakPolarHBondContact CB-CD2 3.01Å; C60-H76 PolarHBondContact SG-CD2 2.87Å; C60-H76 PolarHBondContact SG-NE2 3.12Å; C60-H76 VanDerWaalsContact SG-NE2 3.42Å; C63-H76 PolarHBondContact SG-NE2 3.46Å; E72-H76 WeakPolarHBondContact O-CB 3.35Å; E72-H76 PolarHBondContact O-N 2.66Å; L73-H76 PolarHBondContact O-N 3.35Å; H76-K78 VanDerWaalsContact C-N 3.35Å; H76-K78 PolarHBondContact O-N 3.13Å; H76-Q79 PolarHBondContact ND1-OE1 3.36Å; H76-Q79 WeakPolarHBondContact O-CB 3.38Å; H76-Q79 PolarHBondContact O-N 3.17Å; H76-H80 AromaticContact CD2-NE2 3.59Å; H76-H80 AromaticContact CE1-NE2 3.55Å; H76-H80 AromaticContact NE2-CD2 3.96Å; H76-H80 AromaticContact NE2-CE1 3.93Å; H76-H80 AromaticContact NE2-NE2 2.99Å; H76-H80 PolarHBondContact NE2-NE2 3.28Å; H76-H80 PolarHBondContact O-CD2 3.1Å
77L73.4Confident74.5Confident46 Ų4684.1 Ų84.124%0.24142%0.423CS..Hα-helixtrans-62.4-37175.8-75.6170.8000112.4Y62 L73 N74 E75 Q79 H80 T81Y62-L77 HydrophobicContact CD2-CD2 3.94Å; Y62-L77 HydrophobicContact CE2-CD2 3.88Å; L73-L77 HydrophobicContact CD1-CD1 4.17Å; L73-L77 HydrophobicContact CD1-CG 4.1Å; L73-L77 HydrophobicContact CD2-CD1 4.41Å; L73-L77 HydrophobicContact CG-CD1 3.9Å; L73-L77 HydrophobicContact CG-CG 4.28Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 WeakPolarHBondContact O-CG 3.11Å; L73-L77 PolarHBondContact O-N 2.91Å; N74-L77 PolarHBondContact O-N 3.05Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.28Å; L77-Q79 PolarHBondContact O-N 3.42Å; L77-H80 WeakPolarHBondContact O-CA 3.36Å; L77-H80 WeakPolarHBondContact O-CB 3.35Å; L77-H80 PolarHBondContact O-N 3.48Å; L77-T81 PolarHBondContact O-N 2.99Å; L77-T81 VanDerWaalsContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 3.34Å
78K76.6Confident75Confident140 Ų14083.8 Ų83.861%0.60942%0.42SS*.Hα-helixtrans-58.8-27.2172.2-66.9166.9-168.8173.10113N74 E75 H76 H80 S82N74-K78 WeakPolarHBondContact O-CG 3.38Å; N74-K78 PolarHBondContact O-N 3.34Å; N74-K78 VanDerWaalsContact O-N 3.09Å; E75-K78 WeakPolarHBondContact O-CB 3.43Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 VanDerWaalsContact O-N 3.15Å; H76-K78 VanDerWaalsContact C-N 3.35Å; H76-K78 PolarHBondContact O-N 3.13Å; K78-H80 VanDerWaalsContact C-N 3.29Å; K78-H80 PolarHBondContact O-N 3.39Å; K78-S82 WeakPolarHBondContact O-CB 3.37Å; K78-S82 PolarHBondContact O-N 3.21Å; K78-S82 PolarHBondContact O-OG 2.72Å
79Q65.9Low75.5Confident102 Ų10285.8 Ų85.848%0.47744%0.436SS..Hα-helixtrans-67.8-29.8173.5-54175-8.900111.7E75 H76 L77 M96E75-Q79 PolarHBondContact O-N 3.07Å; H76-Q79 PolarHBondContact ND1-OE1 3.36Å; H76-Q79 WeakPolarHBondContact O-CB 3.38Å; H76-Q79 PolarHBondContact O-N 3.17Å; L77-Q79 PolarHBondContact O-N 3.42Å; Q79-M96 WeakPolarHBondContact O-CE 3.44Å
80H66.3Low75.9Confident4 Ų488.7 Ų88.72%0.01945%0.445CS..Hα-helixtrans-75.2-50.2171.7-59-98.6000110.8C60 Y62 H76 L77 K78 S82 Y84 M96C60-H80 PolarHBondContact SG-NE2 3.44Å; Y62-H80 WeakPolarHBondContact CB-ND1 3.21Å; Y62-H80 HydrophobicContact CD2-CB 4.13Å; Y62-H80 AromaticContact CD2-CG 3.75Å; Y62-H80 AromaticContact CD2-ND1 3.69Å; Y62-H80 HydrophobicContact CE2-CB 4.45Å; Y62-H80 AromaticContact CG-ND1 3.75Å; H76-H80 AromaticContact CD2-NE2 3.59Å; H76-H80 AromaticContact CE1-NE2 3.55Å; H76-H80 AromaticContact NE2-CD2 3.96Å; H76-H80 AromaticContact NE2-CE1 3.93Å; H76-H80 AromaticContact NE2-NE2 2.99Å; H76-H80 PolarHBondContact NE2-NE2 3.28Å; H76-H80 PolarHBondContact O-CD2 3.1Å; L77-H80 WeakPolarHBondContact O-CA 3.36Å; L77-H80 WeakPolarHBondContact O-CB 3.35Å; L77-H80 PolarHBondContact O-N 3.48Å; K78-H80 VanDerWaalsContact C-N 3.29Å; K78-H80 PolarHBondContact O-N 3.39Å; H80-S82 VanDerWaalsContact C-N 3.25Å; H80-S82 PolarHBondContact O-N 3.5Å; H80-Y84 HydrophobicContact CB-CE1 4.02Å; H80-Y84 WeakPolarHBondContact O-CE1 3.43Å; H80-Y84 WeakPolarHBondContact O-CE2 3.41Å; H80-M96 HydrophobicContact CB-CG 4.03Å; H80-M96 WeakPolarHBondContact ND1-CG 3.44Å
81T63.3Low76.5Confident109 Ų10985.7 Ų85.767%0.66944%0.437SS*.Hα-helixtrans-63.7-26.8-173.3-6.20000114.3L77L77-T81 PolarHBondContact O-N 2.99Å; L77-T81 VanDerWaalsContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 3.34Å
82S59.3Low76.4Confident87 Ų8782.8 Ų82.861%0.60843%0.429SS*.Hα-helixtrans-93-33-170.656.20000115.5K78 H80K78-S82 WeakPolarHBondContact O-CB 3.37Å; K78-S82 PolarHBondContact O-N 3.21Å; K78-S82 PolarHBondContact O-OG 2.72Å; H80-S82 VanDerWaalsContact C-N 3.25Å; H80-S82 PolarHBondContact O-N 3.5Å
83K60.5Low76.6Confident163 Ų16384.4 Ų84.471%0.70944%0.437SS*.  trans-150.395-175.9-68.6-174.1-178.3175.60112.6P85 M96K83-P85 WeakPolarHBondContact O-CD 3.46Å; K83-M96 WeakPolarHBondContact O-CE 3.37Å
84Y77.4Confident76.7Confident74 Ų7483.9 Ų83.929%0.2944%0.438SS..  trans-86.6100.1167.7-65.5-62.5000111.8H80 F86 M96H80-Y84 HydrophobicContact CB-CE1 4.02Å; H80-Y84 WeakPolarHBondContact O-CE1 3.43Å; H80-Y84 WeakPolarHBondContact O-CE2 3.41Å; Y84-F86 VanDerWaalsContact C-N 3.32Å; Y84-F86 PolarHBondContact O-N 3.19Å; Y84-M96 HydrophobicContact CD1-CG 3.92Å; Y84-M96 HydrophobicContact CD1-SD 3.61Å; Y84-M96 HydrophobicContact CE1-CG 4Å; Y84-M96 HydrophobicContact CE1-SD 4.11Å; Y84-M96 HydrophobicContact CG-SD 4.45Å
85P77.2Confident77Confident90 Ų9082.6 Ų82.658%0.58443%0.428SS*.SBendtrans-73.4-18.6-179.129.4-37.3000114.2K83K83-P85 WeakPolarHBondContact O-CD 3.46Å
86F82.8Confident77Confident74 Ų7479.4 Ų79.433%0.32541%0.413SS..EExtended strand (participates in β ladder)trans-112.9108.6178.3-51.4-75.8000109.4Y84 Y95 R97 K98 M101Y84-F86 VanDerWaalsContact C-N 3.32Å; Y84-F86 PolarHBondContact O-N 3.19Å; F86-Y95 WeakPolarHBondContact CB-O 3.45Å; F86-Y95 PolarHBondContact N-O 3.21Å; F86-Y95 PolarHBondContact O-N 2.96Å; F86-R97 VanDerWaalsContact CD2-C 3.43Å; F86-K98 HydrophobicContact CD1-CB 3.84Å; F86-K98 HydrophobicContact CD1-CG 4.34Å; F86-K98 HydrophobicContact CD2-CB 4.48Å; F86-K98 HydrophobicContact CE1-CB 3.84Å; F86-K98 HydrophobicContact CE1-CG 4.5Å; F86-K98 HydrophobicContact CE2-CB 4.47Å; F86-K98 HydrophobicContact CG-CB 4.18Å; F86-K98 HydrophobicContact CZ-CB 4.16Å; F86-M101 HydrophobicContact CB-CB 4.28Å; F86-M101 HydrophobicContact CB-SD 3.95Å
87K84.9Confident77.1Confident139 Ų13983.6 Ų83.660%0.60443%0.428SS*.EExtended strand (participates in β ladder)trans-104.5138.1175.1-64-174.9-178.8-177.50110.4L89 Q93K87-L89 PolarHBondContact O-N 3.24Å; K87-Q93 CarbonylContact C-O 3.54Å; K87-Q93 VanDerWaalsContact CA-O 3.29Å; K87-Q93 WeakPolarHBondContact CA-O 3.23Å
88C89.3Confident77.6Confident3 Ų387.4 Ų87.42%0.0244%0.443CS..  trans-66.3128.7171.7-178.90000110.4H90 G92 Q93 Y95 M101 H104C88-H90 VanDerWaalsContact C-N 3.29Å; C88-H90 PolarHBondContact O-N 3.45Å; C88-H90 PolarHBondContact SG-N 2.96Å; C88-H90 VanDerWaalsContact SG-N 3.38Å; C88-G92 VanDerWaalsContact O-CA 3.25Å; C88-G92 WeakPolarHBondContact O-CA 3.49Å; C88-G92 PolarHBondContact O-N 3.28Å; C88-Q93 PolarHBondContact N-O 3.08Å; C88-Y95 HydrophobicContact CB-CE2 4.17Å; C88-M101 HydrophobicContact CB-CG 4.43Å; C88-H104 VanDerWaalsContact CB-NE2 3.26Å; C88-H104 WeakPolarHBondContact CB-NE2 3.37Å; C88-H104 PolarHBondContact SG-NE2 3.25Å
89L86.8Confident78.1Confident165 Ų16589.9 Ų89.986%0.86445%0.448SS*.THydrogen-bonded Turntrans-70.3-24.5178.4-62.3176000113K87K87-L89 PolarHBondContact O-N 3.24Å
90H81.9Confident78.9Confident98 Ų9887.1 Ų87.145%0.45444%0.44SS..THydrogen-bonded Turntrans-85.8-23.9-177.3-57.6-87.8000114.1C88 H109C88-H90 VanDerWaalsContact C-N 3.29Å; C88-H90 PolarHBondContact O-N 3.45Å; C88-H90 PolarHBondContact SG-N 2.96Å; C88-H90 VanDerWaalsContact SG-N 3.38Å; H90-H109 HydrophobicContact CB-CB 4.24Å; H90-H109 AromaticContact CG-CG 3.84Å
91C85Confident80.2Confident60 Ų6088.2 Ų88.241%0.40545%0.445SS..THydrogen-bonded Turntrans-145.110.4-176.471.10000115.3Q93 H104 H109C91-Q93 PolarHBondContact O-N 3.29Å; C91-H104 PolarHBondContact SG-CE1 3.29Å; C91-H104 PolarHBondContact SG-NE2 3.32Å; C91-H109 PolarHBondContact SG-NE2 3.29Å; C91-H109 VanDerWaalsContact SG-NE2 3.42Å
92G78.4Confident81.5Confident49 Ų4986.5 Ų86.551%0.50543%0.431SS..  trans71-10.7176.700000116.5C88C88-G92 VanDerWaalsContact O-CA 3.25Å; C88-G92 WeakPolarHBondContact O-CA 3.49Å; C88-G92 PolarHBondContact O-N 3.28Å
93Q81.2Confident82.8Confident115 Ų11587.9 Ų87.954%0.53743%0.427SS..  trans-58.1138.8-173.3-79.1-67.6-5.300113.6K87 C88 C91 Y95K87-Q93 CarbonylContact C-O 3.54Å; K87-Q93 VanDerWaalsContact CA-O 3.29Å; K87-Q93 WeakPolarHBondContact CA-O 3.23Å; C88-Q93 PolarHBondContact N-O 3.08Å; C91-Q93 PolarHBondContact O-N 3.29Å; Q93-Y95 HydrophobicContact CB-CE2 3.75Å; Q93-Y95 WeakPolarHBondContact CB-OH 3.26Å; Q93-Y95 WeakPolarHBondContact O-CD2 3.24Å; Q93-Y95 VanDerWaalsContact O-CE2 3.24Å; Q93-Y95 WeakPolarHBondContact O-CE2 3.22Å
94G83.9Confident84.1Confident16 Ų1681.1 Ų81.117%0.16540%0.397CS..EExtended strand (participates in β ladder)trans-92.3138.4-174.100000113.9
95Y84.5Confident84.8Confident48 Ų4878.7 Ų78.719%0.18839%0.389CS..EExtended strand (participates in β ladder)trans-137.3138.7178.7-58.9-81.7000111.4F86 C88 Q93 R97 C100 M101 H104F86-Y95 WeakPolarHBondContact CB-O 3.45Å; F86-Y95 PolarHBondContact N-O 3.21Å; F86-Y95 PolarHBondContact O-N 2.96Å; C88-Y95 HydrophobicContact CB-CE2 4.17Å; Q93-Y95 HydrophobicContact CB-CE2 3.75Å; Q93-Y95 WeakPolarHBondContact CB-OH 3.26Å; Q93-Y95 WeakPolarHBondContact O-CD2 3.24Å; Q93-Y95 VanDerWaalsContact O-CE2 3.24Å; Q93-Y95 WeakPolarHBondContact O-CE2 3.22Å; Y95-R97 VanDerWaalsContact C-N 3.28Å; Y95-R97 PolarHBondContact O-N 2.86Å; Y95-C100 HydrophobicContact CD1-CB 3.99Å; Y95-C100 HydrophobicContact CG-CB 4.49Å; Y95-M101 HydrophobicContact CD2-CB 3.62Å; Y95-M101 HydrophobicContact CD2-CG 3.82Å; Y95-M101 HydrophobicContact CE2-CB 4.43Å; Y95-M101 HydrophobicContact CE2-CG 4.38Å; Y95-M101 HydrophobicContact CG-CB 3.88Å; Y95-H104 HydrophobicContact CE1-CB 4.16Å; Y95-H104 HydrophobicContact CE2-CB 4.39Å; Y95-H104 AromaticContact CE2-CD2 3.46Å; Y95-H104 VanDerWaalsContact CE2-CD2 3.46Å; Y95-H104 WeakPolarHBondContact CE2-CD2 3.42Å; Y95-H104 AromaticContact CE2-CG 3.99Å; Y95-H104 AromaticContact CZ-CD2 3.54Å; Y95-H104 AromaticContact CZ-CG 3.58Å; Y95-H104 PolarHBondContact OH-CD2 2.92Å; Y95-H104 VanDerWaalsContact OH-CD2 3.26Å; Y95-H104 PolarHBondContact OH-ND1 2.83Å
96M78.1Confident85.4Confident53 Ų5378.8 Ų78.826%0.26139%0.385SS..SBendtrans-74.7-14.8176-69.1-50.7-7500114.3Q79 H80 K83 Y84Q79-M96 WeakPolarHBondContact O-CE 3.44Å; H80-M96 HydrophobicContact CB-CG 4.03Å; H80-M96 WeakPolarHBondContact ND1-CG 3.44Å; K83-M96 WeakPolarHBondContact O-CE 3.37Å; Y84-M96 HydrophobicContact CD1-CG 3.92Å; Y84-M96 HydrophobicContact CD1-SD 3.61Å; Y84-M96 HydrophobicContact CE1-CG 4Å; Y84-M96 HydrophobicContact CE1-SD 4.11Å; Y84-M96 HydrophobicContact CG-SD 4.45Å
97R82.5Confident85.5Confident121 Ų12184.3 Ų84.346%0.45740%0.404SS..SBendtrans-140.9134.2-178.3-60.9-176.7-175.9143.9-0.8111.1C63 F86 Y95 R99 C100 M101C63-R97 PolarHBondContact O-NH1 3.05Å; C63-R97 PolarHBondContact SG-NH2 2.96Å; F86-R97 VanDerWaalsContact CD2-C 3.43Å; Y95-R97 VanDerWaalsContact C-N 3.28Å; Y95-R97 PolarHBondContact O-N 2.86Å; R97-R99 PolarHBondContact O-N 2.89Å; R97-R99 VanDerWaalsContact O-N 3.12Å; R97-C100 WeakPolarHBondContact O-CB 3.21Å; R97-C100 PolarHBondContact O-N 2.84Å; R97-M101 PolarHBondContact O-N 2.85Å
98K84.3Confident85.3Confident126 Ų12682.3 Ų82.355%0.54840%0.399SS..Hα-helixtrans-50.1-38.2176.2-169.5175.3-179.8177.80112.8F86 C100 M101 L102F86-K98 HydrophobicContact CD1-CB 3.84Å; F86-K98 HydrophobicContact CD1-CG 4.34Å; F86-K98 HydrophobicContact CD2-CB 4.48Å; F86-K98 HydrophobicContact CE1-CB 3.84Å; F86-K98 HydrophobicContact CE1-CG 4.5Å; F86-K98 HydrophobicContact CE2-CB 4.47Å; F86-K98 HydrophobicContact CG-CB 4.18Å; F86-K98 HydrophobicContact CZ-CB 4.16Å; K98-C100 VanDerWaalsContact C-N 3.32Å; K98-C100 PolarHBondContact O-N 2.87Å; K98-M101 HydrophobicContact CG-CE 4.44Å; K98-M101 PolarHBondContact O-N 3.12Å; K98-L102 HydrophobicContact CG-CD1 4.03Å; K98-L102 HydrophobicContact CG-CG 4.32Å; K98-L102 WeakPolarHBondContact O-CB 3.35Å; K98-L102 VanDerWaalsContact O-CG 3.29Å; K98-L102 WeakPolarHBondContact O-CG 3.21Å; K98-L102 PolarHBondContact O-N 3.39Å
99R86Confident85Confident191 Ų19183.7 Ų83.772%0.72141%0.405SS*.Hα-helixtrans-62.9-32.6176.4-173.8-178-74.4174.3-3.1113.4R97 K103R97-R99 PolarHBondContact O-N 2.89Å; R97-R99 VanDerWaalsContact O-N 3.12Å; R99-K103 WeakPolarHBondContact O-CB 3.21Å; R99-K103 WeakPolarHBondContact O-CG 3.4Å; R99-K103 PolarHBondContact O-N 2.87Å
100C83.1Confident84.5Confident45 Ų4578 Ų7830%0.30438%0.379SS..Hα-helixtrans-75.8-42.5177.6-58.20000110.8Y95 R97 K98 K103 H104Y95-C100 HydrophobicContact CD1-CB 3.99Å; Y95-C100 HydrophobicContact CG-CB 4.49Å; R97-C100 WeakPolarHBondContact O-CB 3.21Å; R97-C100 PolarHBondContact O-N 2.84Å; K98-C100 VanDerWaalsContact C-N 3.32Å; K98-C100 PolarHBondContact O-N 2.87Å; C100-K103 PolarHBondContact O-N 3.22Å; C100-H104 WeakPolarHBondContact O-CB 2.79Å; C100-H104 PolarHBondContact O-N 2.86Å
101M93.5Very high83.4Confident27 Ų2781.3 Ų81.313%0.13340%0.4CS..Hα-helixtrans-58.7-48.9172.2-175.2-161.180.500111.7F86 C88 Y95 R97 K98 H104 I105F86-M101 HydrophobicContact CB-CB 4.28Å; F86-M101 HydrophobicContact CB-SD 3.95Å; C88-M101 HydrophobicContact CB-CG 4.43Å; Y95-M101 HydrophobicContact CD2-CB 3.62Å; Y95-M101 HydrophobicContact CD2-CG 3.82Å; Y95-M101 HydrophobicContact CE2-CB 4.43Å; Y95-M101 HydrophobicContact CE2-CG 4.38Å; Y95-M101 HydrophobicContact CG-CB 3.88Å; R97-M101 PolarHBondContact O-N 2.85Å; K98-M101 HydrophobicContact CG-CE 4.44Å; K98-M101 PolarHBondContact O-N 3.12Å; M101-H104 WeakPolarHBondContact O-CB 3.17Å; M101-H104 PolarHBondContact O-N 2.85Å; M101-H104 VanDerWaalsContact O-N 3.14Å; M101-I105 HydrophobicContact CE-CD1 4.03Å; M101-I105 HydrophobicContact CG-CD1 4.16Å; M101-I105 WeakPolarHBondContact O-CG1 3.45Å; M101-I105 PolarHBondContact O-N 2.88Å
102L90.4Very high81.7Confident72 Ų7281.8 Ų81.838%0.37740%0.404SS..Hα-helixtrans-59.5-52.2177-71.8171.5000111K98 H104 I105 D106K98-L102 HydrophobicContact CG-CD1 4.03Å; K98-L102 HydrophobicContact CG-CG 4.32Å; K98-L102 WeakPolarHBondContact O-CB 3.35Å; K98-L102 VanDerWaalsContact O-CG 3.29Å; K98-L102 WeakPolarHBondContact O-CG 3.21Å; K98-L102 PolarHBondContact O-N 3.39Å; L102-H104 PolarHBondContact O-N 3.03Å; L102-I105 CarbonylContact O-C 3.58Å; L102-I105 WeakPolarHBondContact O-CA 3.4Å; L102-I105 WeakPolarHBondContact O-CB 3.45Å; L102-I105 PolarHBondContact O-N 3.47Å; L102-D106 VanDerWaalsContact C-OD2 3.31Å; L102-D106 WeakPolarHBondContact O-CB 3.24Å; L102-D106 PolarHBondContact O-N 3.21Å; L102-D106 VanDerWaalsContact O-OD2 3.12Å
103K87.6Confident80.3Confident117 Ų11785.4 Ų85.451%0.50941%0.41SS..Hα-helixtrans-57.2-24.6175.6-80-173.7173.9-168.40114.5R99 C100 R107R99-K103 WeakPolarHBondContact O-CB 3.21Å; R99-K103 WeakPolarHBondContact O-CG 3.4Å; R99-K103 PolarHBondContact O-N 2.87Å; C100-K103 PolarHBondContact O-N 3.22Å; K103-R107 WeakPolarHBondContact O-CB 3.4Å; K103-R107 WeakPolarHBondContact O-CD 3.39Å; K103-R107 WeakPolarHBondContact O-CG 3.36Å
104H87.9Confident78.2Confident20 Ų2086.1 Ų86.19%0.09342%0.423CS..Hα-helixtrans-78.5-43.5173.8146.572.5000111.2C88 C91 Y95 C100 M101 L102 R107 L108 H109C88-H104 VanDerWaalsContact CB-NE2 3.26Å; C88-H104 WeakPolarHBondContact CB-NE2 3.37Å; C88-H104 PolarHBondContact SG-NE2 3.25Å; C91-H104 PolarHBondContact SG-CE1 3.29Å; C91-H104 PolarHBondContact SG-NE2 3.32Å; Y95-H104 HydrophobicContact CE1-CB 4.16Å; Y95-H104 HydrophobicContact CE2-CB 4.39Å; Y95-H104 AromaticContact CE2-CD2 3.46Å; Y95-H104 VanDerWaalsContact CE2-CD2 3.46Å; Y95-H104 WeakPolarHBondContact CE2-CD2 3.42Å; Y95-H104 AromaticContact CE2-CG 3.99Å; Y95-H104 AromaticContact CZ-CD2 3.54Å; Y95-H104 AromaticContact CZ-CG 3.58Å; Y95-H104 PolarHBondContact OH-CD2 2.92Å; Y95-H104 VanDerWaalsContact OH-CD2 3.26Å; Y95-H104 PolarHBondContact OH-ND1 2.83Å; C100-H104 WeakPolarHBondContact O-CB 2.79Å; C100-H104 PolarHBondContact O-N 2.86Å; M101-H104 WeakPolarHBondContact O-CB 3.17Å; M101-H104 PolarHBondContact O-N 2.85Å; M101-H104 VanDerWaalsContact O-N 3.14Å; L102-H104 PolarHBondContact O-N 3.03Å; H104-R107 PolarHBondContact O-N 2.82Å; H104-L108 PolarHBondContact O-N 3.37Å; H104-H109 AromaticContact CE1-CD2 3.68Å; H104-H109 AromaticContact CE1-NE2 3.23Å; H104-H109 PolarHBondContact CE1-NE2 2.93Å; H104-H109 AromaticContact NE2-CD2 3.59Å; H104-H109 AromaticContact NE2-NE2 3.37Å; H104-H109 PolarHBondContact NE2-NE2 2.9Å
105I91.9Very high76Confident24 Ų2493.9 Ų93.912%0.12346%0.455CS..Hα-helixtrans-58.3-51.9171-65.8167.3000109.7M101 L102 R107 L108 H109 S110M101-I105 HydrophobicContact CE-CD1 4.03Å; M101-I105 HydrophobicContact CG-CD1 4.16Å; M101-I105 WeakPolarHBondContact O-CG1 3.45Å; M101-I105 PolarHBondContact O-N 2.88Å; L102-I105 CarbonylContact O-C 3.58Å; L102-I105 WeakPolarHBondContact O-CA 3.4Å; L102-I105 WeakPolarHBondContact O-CB 3.45Å; L102-I105 PolarHBondContact O-N 3.47Å; I105-R107 PolarHBondContact O-N 3.5Å; I105-L108 PolarHBondContact O-N 3.44Å; I105-H109 HydrophobicContact CG2-CB 4.19Å; I105-H109 CarbonylContact O-C 3.28Å; I105-H109 VanDerWaalsContact O-C 3.28Å; I105-H109 WeakPolarHBondContact O-CA 3.38Å; I105-H109 PolarHBondContact O-N 2.88Å; I105-S110 PolarHBondContact O-N 3.19Å
106D89.1Confident73.8Confident91 Ų9197.9 Ų97.949%0.48748%0.484SS..Hα-helixtrans-57.5-13178.4-54.6-27.4000114.4L102 S110L102-D106 VanDerWaalsContact C-OD2 3.31Å; L102-D106 WeakPolarHBondContact O-CB 3.24Å; L102-D106 PolarHBondContact O-N 3.21Å; L102-D106 VanDerWaalsContact O-OD2 3.12Å; D106-S110 WeakPolarHBondContact O-CB 3.4Å; D106-S110 PolarHBondContact O-OG 2.98Å
107R84.8Confident72.1Confident191 Ų191101 Ų10172%0.72151%0.508SS*.Hα-helixtrans-116.5-32.4-176.7-73.2176.9176.6-163.8-8.7114.9K103 H104 I105K103-R107 WeakPolarHBondContact O-CB 3.4Å; K103-R107 WeakPolarHBondContact O-CD 3.39Å; K103-R107 WeakPolarHBondContact O-CG 3.36Å; H104-R107 PolarHBondContact O-N 2.82Å; I105-R107 PolarHBondContact O-N 3.5Å
108L80.4Confident69.8Low96 Ų9699.1 Ų99.150%0.50352%0.518SS..Hα-helixtrans-117.9-14-174.7-55.5-173.4000113.2H104 I105H104-L108 PolarHBondContact O-N 3.37Å; I105-L108 PolarHBondContact O-N 3.44Å
109H83.6Confident67.7Low33 Ų33103 Ų10315%0.15354%0.536CS..THydrogen-bonded Turntrans-132.32.3-177.1-52.8-53.5000112.9H90 C91 H104 I105 N111 S112H90-H109 HydrophobicContact CB-CB 4.24Å; H90-H109 AromaticContact CG-CG 3.84Å; C91-H109 PolarHBondContact SG-NE2 3.29Å; C91-H109 VanDerWaalsContact SG-NE2 3.42Å; H104-H109 AromaticContact CE1-CD2 3.68Å; H104-H109 AromaticContact CE1-NE2 3.23Å; H104-H109 PolarHBondContact CE1-NE2 2.93Å; H104-H109 AromaticContact NE2-CD2 3.59Å; H104-H109 AromaticContact NE2-NE2 3.37Å; H104-H109 PolarHBondContact NE2-NE2 2.9Å; I105-H109 HydrophobicContact CG2-CB 4.19Å; I105-H109 CarbonylContact O-C 3.28Å; I105-H109 VanDerWaalsContact O-C 3.28Å; I105-H109 WeakPolarHBondContact O-CA 3.38Å; I105-H109 PolarHBondContact O-N 2.88Å; H109-N111 PolarHBondContact O-N 3.25Å; H109-N111 VanDerWaalsContact O-N 3.17Å; H109-S112 PolarHBondContact O-N 3.44Å; H109-S112 PolarHBondContact O-OG 3.15Å; H109-S112 VanDerWaalsContact O-OG 3.07Å
110S76.4Confident65Low45 Ų4599.8 Ų99.832%0.31554%0.542SS..G310 helixtrans-61.5-22.1177.237.60000113.6I105 D106 S112I105-S110 PolarHBondContact O-N 3.19Å; D106-S110 WeakPolarHBondContact O-CB 3.4Å; D106-S110 PolarHBondContact O-OG 2.98Å; S110-S112 PolarHBondContact O-N 3.01Å
111N58.7Low62.4Low167 Ų167100.8 Ų100.889%0.89356%0.56SS**G310 helixtrans-73.3-4175.4-61.7-1.7000113.2H109H109-N111 PolarHBondContact O-N 3.25Å; H109-N111 VanDerWaalsContact O-N 3.17Å
112S50Low59.4Low71 Ų71107.9 Ų107.950%0.49760%0.595SS.*G310 helixtrans-126.252.7177.456.30000113.4H109 S110H109-S112 PolarHBondContact O-N 3.44Å; H109-S112 PolarHBondContact O-OG 3.15Å; H109-S112 VanDerWaalsContact O-OG 3.07Å; S110-S112 PolarHBondContact O-N 3.01Å
113I47.3Very low56.5Low124 Ų124111.2 Ų111.264%0.63662%0.619SS**  trans-107.371.3168.6-49.9-177.6000110.8
114T38.3Very low53.9Low131 Ų131115.3 Ų115.380%0.80464%0.636SS**  trans-14482.5157.9-52.20000110.3
115Q37.4Very low51.1Low179 Ų179118.9 Ų118.984%0.83667%0.67SS**  trans-172.8124.2131.2-105.6170.862.700111.8
116V39.1Very low49.1Very low131 Ų131123.6 Ų123.679%0.79470%0.702SS**  trans-91138.8150.7173.40000106.4
117P41Very low47.2Very low118 Ų118124.5 Ų124.577%0.76671%0.712SS**  trans-121.4146.9138.534.5-29.2000111
118A35.6Very low44.6Very low82 Ų82122.2 Ų122.268%0.67872%0.72SS**  trans-114.9138.2-179.600000111.5
119K39.8Very low42.2Very low209 Ų209121.7 Ų121.791%0.90973%0.729SS**  trans54.3111.9153.9-61.8178.8178.9179.30119.7
120S28.8Very low39.7Very low123 Ų123126.2 Ų126.286%0.8676%0.759SS**  -135.5141.9119.8-1600000105.7
121G28.9Very low37.9Very low66 Ų66129.3 Ų129.368%0.6878%0.78SS**  89.8116.254.400000107.8
122M31.3Very low36.8Very low176 Ų176126.5 Ų126.587%0.86777%0.774SS**  cis-143.3156.213.8-64.6157.857.300111.9
123T29.3Very low36Very low142 Ų142127.2 Ų127.287%0.87178%0.784SS**  trans-128.6117161.831.30000110.4
124K31.4Very low35.3Very low202 Ų202128.5 Ų128.588%0.87879%0.791SS**  trans-153.3105.2168.6-83.6-161.5176.1-175.30112
125A30.1Very low35.1Very low96 Ų96132.6 Ų132.679%0.79379%0.792SS**  trans177.1161.5155.500000108.2
126P49.8Very low34.8Very low123 Ų123129.8 Ų129.880%0.79979%0.792SS**  cis-111.4-144.8-7.844-28.8000109
127P50.2Low34.3Very low109 Ų109128 Ų12871%0.70879%0.791SS**  cis-135.5-177.436.836.3-13.4000117
128V28.9Very low34.8Very low144 Ų144127.7 Ų127.787%0.87379%0.789SS**  trans79.3153.2167.7-161.50000116.1
129A30.4Very low34.5Very low85 Ų85130.8 Ų130.870%0.70280%0.799SS**  trans-156.4-177.9-163.100000111.6
130V31.3Very low34.3Very low128 Ų128125.2 Ų125.278%0.77679%0.793SS**  trans149.4132.1136.51630000112.8
131S37.7Very low34.3Very low110 Ų110126.9 Ų126.977%0.76979%0.792SS**  trans67.3154.3160.5-73.40000120.3
132S36.4Very low34.5Very low107 Ų107128.5 Ų128.575%0.74879%0.793SS**  cis-168.3165.8-19.852.90000113.6
133A33Very low34.4Very low86 Ų86127.4 Ų127.471%0.71179%0.789SS**  trans87.7147.3145.100000122.5
134L32.8Very low34.5Very low151 Ų151128.1 Ų128.179%0.79179%0.787SS**  trans66.6152.8165.5-57.6172.2000118.7
135R33.5Very low34.6Very low218 Ų218125.8 Ų125.882%0.82378%0.783SS**  cis-170.2162.8-48.7-121.8-169.1-122.1-114.34.1108
136S32Very low35.3Very low120 Ų120127 Ų12784%0.83978%0.783SS**  trans85.7147.4162.5-51.90000119.9
137A28.8Very low35Very low92 Ų92126.4 Ų126.476%0.7678%0.779SS**  trans-147.7-165.7171.400000105.4
138P50.1Low35Very low112 Ų112126.8 Ų126.873%0.72778%0.782SS**  cis-127.7-173.8-16.942.3-27.4000112.2
139T30.4Very low35.9Very low147 Ų147125.5 Ų125.590%0.90278%0.776SS**  -178.3174.2126.325.10000109.3
140A34.6Very low36.1Very low93 Ų93132.5 Ų132.577%0.76979%0.785SS**  trans-126.9165.7-178.300000110.6
141D29.9Very low36.3Very low157 Ų157132.7 Ų132.784%0.8479%0.789SS**  -158-176.1125-136.9-37.8000111.8
142S32.3Very low35.8Very low100 Ų100133 Ų13370%0.69979%0.786SS**  trans-144.3174-173.1-73.20000114.2
143L30.2Very low35.2Very low153 Ų153135 Ų13580%0.80179%0.793SS**  trans104.3113.2155.1-55.2-177.8000120.8
144L30.3Very low34.9Very low158 Ų158141.2 Ų141.283%0.82780%0.798SS**  trans88.7160.7130.5-65170.1000123.3
145L35.1Very low34.4Very low152 Ų152140.7 Ų140.780%0.79680%0.801SS**  trans-95.2172.4-167.7-100.674.1000112.1
146P43.5Very low33.9Very low122 Ų122134.9 Ų134.979%0.79280%0.799SS**  cis-152.7-1774937.9-12.5000119.4
147P43.8Very low33.7Very low110 Ų110135.3 Ų135.371%0.71480%0.797SS**  trans-103.8-163.7178.343.8-37.5000112.5
148P51Low33.7Very low118 Ų118136.9 Ų136.977%0.76680%0.799SS**  cis-115.5-101.9023.73.2000115.3
149P46.2Very low32.6Very low116 Ų116137.7 Ų137.775%0.75380%0.802SS**  cis-115.6-149.77.145.1-31.9000114.5
150R34.7Very low33Very low232 Ų232136.2 Ų136.288%0.87580%0.795SS**  trans-152.5159.2169-64.4-173.7-175.3-167.32.4111.3
151P36.3Very low32.7Very low132 Ų132137.7 Ų137.786%0.85780%0.8SS**  trans-88.7173.3164.635.2-32.9000113.8
152V26.8Very low32.5Very low118 Ų118134.6 Ų134.672%0.71580%0.796SS**  trans-140.4147.7-159.8173.90000112.8R154V152-R154 HydrophobicContact CG1-CG 4.43Å
153V24.3Very low32.9Very low147 Ų147135.7 Ų135.789%0.89180%0.801SS**  trans-137.7154.2157.5-174.70000109.3
154R25.5Very low32.6Very low218 Ų218132.8 Ų132.882%0.82380%0.798SS**  trans-120137.1-167.5-72.7178.4171.9170.1-3.7115.1V152V152-R154 HydrophobicContact CG1-CG 4.43Å
155V22.2Very low32.5Very low140 Ų140129.3 Ų129.385%0.84879%0.792SS**  37.9125.9125.6-171.90000120.9
156A23.5Very low32.1Very low95 Ų95131.2 Ų131.279%0.78580%0.795SS**  trans-158.7149.6138.300000111.3
157V27.8Very low31.2Very low130 Ų130133.5 Ų133.579%0.78880%0.799SS**  trans-148.2136.5174.1175.30000109
158P29.5Very low30.5Very low125 Ų125131.3 Ų131.381%0.81280%0.797SS**  trans-143.8146.8134.235.3-19.8000115.5
159T25.8Very low29.4Very low129 Ų129134.9 Ų134.979%0.79180%0.8SS**  trans-99.4-175.4156.144.50000109.1
160P40.7Very low28.3Very low116 Ų116135.2 Ų135.275%0.75380%0.8SS**  cis-126-178.7-19.537.1-21.1000113
161S26.4Very low28Very low124 Ų124131 Ų13187%0.86780%0.795SS**  trans-171.4152.7138.728.80000114.1
162A26.9Very low27.4Very low92 Ų92131 Ų13176%0.7679%0.787SS**  trans-134.9-178.9165.200000105.7
163P39.4Very low27.6Very low123 Ų123132.3 Ų132.380%0.79980%0.796SS**  cis-146.7-161.215.540-16.4000115.8
164A25.6Very low27.8Very low91 Ų91133.1 Ų133.175%0.75280%0.795SS**  trans93.4112.1141.500000122.3
165A27.3Very low27.8Very low85 Ų85130.8 Ų130.870%0.70280%0.798SS**  90.7112118.700000123
166K27.4Very low28Very low193 Ų193129 Ų12984%0.83979%0.788SS**  75.2114.3123.5-70.7-177.5178.2179.30122.1
167L25.1Very low28.1Very low169 Ų169131.1 Ų131.189%0.88579%0.786SS**  85.8134.1117-164.271.6000120
168G27.6Very low27.9Very low65 Ų65131.1 Ų131.167%0.6779%0.786SS**  trans113.3102.7178.400000110.3
169K27.8Very low27.9Very low193 Ų193131 Ų13184%0.83978%0.783SS**  74.7132.153-73.9-164.8173.7-176.30115.7
170T24.6Very low27.9Very low123 Ų123132.4 Ų132.476%0.75579%0.786SS**  trans74.1117.3154.641.60000122.1
171L27.6Very low27.3Very low144 Ų144130 Ų13075%0.75478%0.782SS**  trans78.8132.7141.4-92.767.2000122.5
172D24.4Very low27.4Very low131 Ų131132.4 Ų132.470%0.70179%0.785SS**  trans48.6114.6139.8-54.1-12.2000121.7
173T30.6Very low27.7Very low146 Ų146134.8 Ų134.890%0.89679%0.79SS**  -163.9157.3109.811.50000112.3
174N27.3Very low27.1Very low163 Ų163138.1 Ų138.187%0.87280%0.796SS**  trans-88.8130.5168-67.3-89.6000109.5
175L26.7Very low27.2Very low170 Ų170145.2 Ų145.289%0.8980%0.803SS**  trans-155.3170.6141.4-15345.8000112.6
176T25.7Very low27.4Very low103 Ų103148 Ų14863%0.63281%0.805SS**  trans-96.2160.5-165.953.90000114.9
177N25.6Very low27.4Very low139 Ų139144.6 Ų144.674%0.74380%0.803SS**  trans87145.5143.3-71.1-16.1000121.6
178T24.6Very low27.5Very low129 Ų129144 Ų14479%0.79180%0.795SS**  trans77.8133.9147.339.70000122.1
179T27.9Very low27.5Very low122 Ų122148 Ų14875%0.74880%0.8SS**  trans100.3113.5151.5-330000118.6
180N27Very low27.4Very low160 Ų160146 Ų14686%0.85680%0.799SS**  trans-21.6146.8158.8-40.7-28.4000117.3
181G28.2Very low27.5Very low66 Ų66143.9 Ų143.968%0.6880%0.801SS**  trans157.6113.6146.400000118
182N27.2Very low27.5Very low174 Ų174144.4 Ų144.493%0.9380%0.804SS**  trans69.9155.9147.7-61.1-12.4000121.1
183T33.2Very low27.7Very low141 Ų141145.7 Ų145.787%0.86581%0.809SS**  trans-110.6129.1-173.7-53.20000109.6
184E26.9Very low27.6Very low194 Ų194146.2 Ų146.291%0.90780%0.802SS**  trans-149.7180156.1-132.5168.8-148.200113.2
185R29Very low27.5Very low239 Ų239142.8 Ų142.890%0.90279%0.788SS**PPolyproline II helixtrans-96.5157.4-153.8-74.5176.5168.4163.6-4.4115.4
186L29.9Very low27.7Very low145 Ų145142.7 Ų142.776%0.75979%0.788SS**PPolyproline II helixtrans-53.6146173.1-66.9158.6000114.1
187P28.1Very low27.6Very low121 Ų121149.2 Ų149.279%0.78680%0.801SS**PPolyproline II helixtrans-102.1135.4135.633.7-28000110.7
188H27.2Very low27.5Very low156 Ų156147.1 Ų147.172%0.72280%0.804SS**PPolyproline II helixtrans-91.9133.2167.4-76.8-115.9000109.9
189L28.7Very low27.3Very low149 Ų149148.4 Ų148.478%0.7881%0.805SS**  171.1143.9116.9-91.1160.8000112.9
190N25.6Very low27.3Very low152 Ų152149.4 Ų149.481%0.81381%0.811SS**  trans51.8112.7153.4-58.4-14.5000120.3
191G25.9Very low27.2Very low78 Ų78147.7 Ų147.780%0.80481%0.806SS**  trans169.196.1160.500000116.3
192L27.9Very low27Very low154 Ų154150.1 Ų150.181%0.80681%0.813SS**  trans51107.2156.1-157.667.8000119.3Q194L192-Q194 PolarHBondContact O-N 3.37Å
193I28.2Very low26.9Very low159 Ų159145.9 Ų145.982%0.81579%0.789SS**PPolyproline II helixtrans-67.1127.6167.3-62.3166.1000110
194Q28.9Very low26.9Very low157 Ų157143.7 Ų143.773%0.73478%0.778SS**PPolyproline II helixtrans-100.6117.9164.3-77.7-72.3-700109.7L192L192-Q194 PolarHBondContact O-N 3.37Å
195P25Very low27.5Very low90 Ų90144 Ų14458%0.58478%0.779SS**PPolyproline II helixtrans-73.1163.3175.730.6-33.9000112
196N30.7Very low27.7Very low168 Ų168138.4 Ų138.490%0.89876%0.763SS**SBendtrans71.234.3168.8-53.8-32.3000118.4
197R24.8Very low28.3Very low240 Ų240134.3 Ų134.391%0.90674%0.744SS**  trans-125.2130.9154.9-154.9172.2-171.4174.62.6111.1L199R197-L199 PolarHBondContact O-N 3.06Å
198A22Very low28.9Very low96 Ų96135 Ų13579%0.79374%0.742SS**  trans-78.8110-175.600000111.4T200A198-T200 PolarHBondContact O-N 3.45Å
199L20.8Very low29.8Very low156 Ų156132 Ų13282%0.81773%0.73SS**  trans-75.8114.1166.6-75.9166.5000109.9R197 V201R197-L199 PolarHBondContact O-N 3.06Å; L199-V201 PolarHBondContact O-N 2.99Å
200T28.1Very low30.5Very low142 Ų142128.7 Ų128.787%0.87172%0.717SS**  trans-82.6102.8164.645.30000109.2A198A198-T200 PolarHBondContact O-N 3.45Å
201V23.9Very low31.2Very low125 Ų125126.8 Ų126.876%0.75872%0.723SS**  trans-115.2126.8166.7-178.60000107.5L199L199-V201 PolarHBondContact O-N 2.99Å
202S25.1Very low32.4Very low117 Ų117124.8 Ų124.882%0.81870%0.701SS**PPolyproline II helixtrans-69131.5-179.3-50.80000110.9
203L25.2Very low33.5Very low84 Ų84119.1 Ų119.144%0.4467%0.674SS.*PPolyproline II helixtrans-74.1145.5160.8-77158000108.7E205 S701L203-E205 PolarHBondContact O-N 2.96Å; L203-S701 WeakPolarHBondContact CD1-O 3.37Å
204P32.1Very low34.7Very low95 Ų95116.2 Ų116.262%0.61766%0.66SS**PPolyproline II helixtrans-65.5129.416928.3-33.1000109.7E206P204-E206 VanDerWaalsContact C-N 3.31Å; P204-E206 PolarHBondContact O-N 2.83Å
205E39.7Very low36.3Very low200 Ų200111.7 Ų111.794%0.93564%0.643SS**SBendtrans-71.9-22.2-173.7-69.5-175.9108.200113.9L203L203-E205 PolarHBondContact O-N 2.96Å
206E34.5Very low38.1Very low122 Ų122111.2 Ų111.257%0.5763%0.633SS**  trans-128.2135.2175.3-66-156.7133.500112.7P204 K800P204-E206 VanDerWaalsContact C-N 3.31Å; P204-E206 PolarHBondContact O-N 2.83Å; E206-K800 IonicContact OE1-NZ 3.5Å; E206-K800 PolarHBondContact OE1-NZ 3.36Å
207V41.2Very low39.8Very low60 Ų60107.8 Ų107.836%0.36461%0.614SS.*  trans-111.6102.7168172.90000108.1I209 L698 I700V207-I209 PolarHBondContact O-N 3.49Å; V207-L698 HydrophobicContact CG1-CD1 3.75Å; V207-L698 HydrophobicContact CG2-CD2 4.42Å; V207-I700 HydrophobicContact CG2-CD1 4.18Å
208N40.4Very low41.8Very low136 Ų13699.8 Ų99.873%0.72759%0.592SS**  trans-80.5109.3-179.8-82.7-63.7000111.1
209I46.7Very low44Very low93 Ų9398.6 Ų98.648%0.47757%0.57SS.*PPolyproline II helixtrans-85124.2174-62.4161.1000108.4V207 C213 V215 L233V207-I209 PolarHBondContact O-N 3.49Å; I209-C213 HydrophobicContact CG2-CB 3.88Å; I209-V215 HydrophobicContact CD1-CG2 3.76Å; I209-V215 HydrophobicContact CG1-CG2 4.15Å; I209-V215 HydrophobicContact CG2-CG2 4.16Å; I209-L233 HydrophobicContact CG2-CD2 3.95Å
210P43.7Very low46.2Very low79 Ų7994.4 Ų94.451%0.51355%0.55SS.*PPolyproline II helixtrans-61.8145.6178.5-23.133.7000113G212 C213P210-G212 PolarHBondContact O-N 2.87Å; P210-C213 WeakPolarHBondContact O-CB 3.47Å; P210-C213 PolarHBondContact O-N 3.46Å
211A40.8Very low47.8Very low112 Ų11292.3 Ų92.393%0.92653%0.529SS*.THydrogen-bonded Turntrans-59.2129.8172.900000110.4
212G50.7Low49.5Very low35 Ų3591 Ų9136%0.36152%0.522SS..THydrogen-bonded Turntrans88.65.5-173.200000115.1P210 Q236P210-G212 PolarHBondContact O-N 2.87Å; G212-Q236 VanDerWaalsContact O-CB 3.24Å; G212-Q236 WeakPolarHBondContact O-CB 3.41Å; G212-Q236 VanDerWaalsContact O-CG 3.23Å; G212-Q236 WeakPolarHBondContact O-CG 3.25Å; G212-Q236 PolarHBondContact O-N 2.84Å
213C50.2Low51Low35 Ų3588 Ų8824%0.23650%0.498CS..EExtended strand (participates in β ladder)trans-97.6133.8167.8-67.40000111.7I209 P210 L233 I234I209-C213 HydrophobicContact CG2-CB 3.88Å; P210-C213 WeakPolarHBondContact O-CB 3.47Å; P210-C213 PolarHBondContact O-N 3.46Å; C213-L233 HydrophobicContact CB-CD2 3.94Å; C213-I234 CarbonylContact C-O 3.52Å; C213-I234 WeakPolarHBondContact CA-O 3.43Å
214L54.4Low52.2Low98 Ų9891.7 Ų91.751%0.51352%0.519SS..EExtended strand (participates in β ladder)trans-91.9155162.1-64.3175.6000109.3I234 Q236L214-I234 HydrophobicContact CB-CB 4.42Å; L214-I234 PolarHBondContact N-O 3.37Å; L214-I234 PolarHBondContact O-N 3.43Å; L214-Q236 HydrophobicContact CD1-CG 4.47Å; L214-Q236 HydrophobicContact CG-CG 4.25Å
215V62.7Low53.6Low63 Ų6390.6 Ų90.638%0.38253%0.525SS..EExtended strand (participates in β ladder)trans-122.4125.1175.6-179.50000109.7I209 L231 R232 L233I209-V215 HydrophobicContact CD1-CG2 3.76Å; I209-V215 HydrophobicContact CG1-CG2 4.15Å; I209-V215 HydrophobicContact CG2-CG2 4.16Å; V215-L231 HydrophobicContact CG1-CB 3.92Å; V215-L231 HydrophobicContact CG1-CD1 4.2Å; V215-L231 HydrophobicContact CG1-CD2 4.04Å; V215-L231 HydrophobicContact CG1-CG 4.27Å; V215-R232 WeakPolarHBondContact CA-O 3.48Å; V215-L233 HydrophobicContact CG2-CD2 3.7Å; V215-L233 HydrophobicContact CG2-CG 4.29Å
216E61.6Low53.7Low79 Ų7982.3 Ų82.337%0.36949%0.488SS..EExtended strand (participates in β ladder)trans-106.9133.9177-179-176.3-132.400109.7V218 L231 R232 I234E216-V218 PolarHBondContact O-N 2.68Å; E216-L231 CarbonylContact O-C 3.58Å; E216-L231 WeakPolarHBondContact O-CA 3.31Å; E216-R232 HydrophobicContact CB-CB 4.47Å; E216-R232 PolarHBondContact N-O 2.88Å; E216-R232 PolarHBondContact O-N 3.16Å; E216-R232 IonicContact OE1-NH2 3.56Å; E216-R232 IonicContact OE2-CZ 3.46Å; E216-R232 IonicContact OE2-NE 3.81Å; E216-R232 PolarHBondContact OE2-NE 3.23Å; E216-R232 IonicContact OE2-NH2 2.81Å; E216-R232 PolarHBondContact OE2-NH2 2.72Å; E216-I234 HydrophobicContact CB-CD1 3.98Å
217L67.5Low54.8Low97 Ų9782 Ų8251%0.50848%0.484SS..EExtended strand (participates in β ladder)trans-86.8103.9173.9177.660.3000109.1V220 L229 L231L217-V220 HydrophobicContact CD1-CG2 3.96Å; L217-V220 HydrophobicContact CD2-CG2 3.75Å; L217-V220 HydrophobicContact CG-CG2 4.06Å; L217-L229 HydrophobicContact CD1-CB 4.13Å; L217-L229 HydrophobicContact CD1-CD2 4.15Å; L217-L231 HydrophobicContact CB-CD2 4.25Å; L217-L231 HydrophobicContact CD1-CD2 3.68Å
218V67.4Low55.8Low72 Ų7282.2 Ų82.244%0.43648%0.482SS..EExtended strand (participates in β ladder)trans-81.4-39.6-175.8-178.60000111.6E216 K230 R232E216-V218 PolarHBondContact O-N 2.68Å; V218-K230 PolarHBondContact N-O 2.9Å; V218-R232 HydrophobicContact CG2-CB 3.5Å; V218-R232 VanDerWaalsContact CG2-CB 3.5Å
219E66.2Low56.7Low70 Ų7078.1 Ų78.133%0.32746%0.459SS..EExtended strand (participates in β ladder)trans-152.8146.1-172.2-146.8174.3-17500111.4K221 K230E219-K221 HydrophobicContact CG-CG 4.44Å; E219-K221 WeakPolarHBondContact OE1-CE 3.11Å; E219-K221 IonicContact OE1-NZ 2.66Å; E219-K221 PolarHBondContact OE1-NZ 2.94Å; E219-K221 WeakPolarHBondContact OE2-CE 3.47Å; E219-K221 IonicContact OE2-NZ 2.87Å; E219-K221 PolarHBondContact OE2-NZ 3.24Å; E219-K230 HydrophobicContact CB-CB 3.72Å; E219-K230 HydrophobicContact CB-CD 4.04Å; E219-K230 HydrophobicContact CB-CG 4.48Å; E219-K230 PolarHBondContact N-O 3.02Å; E219-K230 PolarHBondContact O-N 3.39Å; E219-K230 WeakPolarHBondContact OE2-CD 3.43Å; E219-K230 IonicContact OE2-NZ 3.2Å
220V67Low57.4Low68 Ų6877.2 Ų77.241%0.41245%0.452SS..EExtended strand (participates in β ladder)trans-127.4106.1172.3-178.80000108.3L217 K227 E228 L229L217-V220 HydrophobicContact CD1-CG2 3.96Å; L217-V220 HydrophobicContact CD2-CG2 3.75Å; L217-V220 HydrophobicContact CG-CG2 4.06Å; V220-K227 HydrophobicContact CG1-CD 4.22Å; V220-E228 WeakPolarHBondContact CA-O 3.32Å; V220-L229 HydrophobicContact CB-CD2 4.39Å; V220-L229 HydrophobicContact CG1-CD2 4Å; V220-L229 HydrophobicContact CG2-CD2 3.82Å
221K63.6Low58.2Low99 Ų9975.6 Ų75.643%0.4344%0.439SS..EExtended strand (participates in β ladder)trans-97.6148.2173.8-59.1-163.8-174.5-163.60110.1E219 V223 K227 E228E219-K221 HydrophobicContact CG-CG 4.44Å; E219-K221 WeakPolarHBondContact OE1-CE 3.11Å; E219-K221 IonicContact OE1-NZ 2.66Å; E219-K221 PolarHBondContact OE1-NZ 2.94Å; E219-K221 WeakPolarHBondContact OE2-CE 3.47Å; E219-K221 IonicContact OE2-NZ 2.87Å; E219-K221 PolarHBondContact OE2-NZ 3.24Å; K221-V223 HydrophobicContact CB-CG2 4.02Å; K221-K227 WeakPolarHBondContact O-CA 3.31Å; K221-E228 HydrophobicContact CB-CB 4.48Å; K221-E228 PolarHBondContact N-O 3.3Å; K221-E228 PolarHBondContact O-N 3.39Å
222T58.3Low59.2Low98 Ų9876.4 Ų76.460%0.60142%0.418SS*.EExtended strand (participates in β ladder)trans-111.594.2168.5-56.20000107.6T226T222-T226 CarbonylContact C-O 3.53Å; T222-T226 WeakPolarHBondContact CA-O 3.19Å
223V56.8Low59.7Low53 Ų5378.4 Ų78.432%0.32142%0.42SS..EExtended strand (participates in β ladder)trans-103.5125.3180-174.70000107.8K221 G225 T226 E228K221-V223 HydrophobicContact CB-CG2 4.02Å; V223-G225 PolarHBondContact O-N 3.08Å; V223-G225 VanDerWaalsContact O-N 3.08Å; V223-T226 PolarHBondContact N-O 3.25Å; V223-T226 PolarHBondContact O-N 2.9Å; V223-T226 VanDerWaalsContact O-O 3.06Å; V223-T226 PolarHBondContact O-OG1 3.27Å; V223-E228 HydrophobicContact CG2-CG 4.46Å; V223-E228 WeakPolarHBondContact CG2-OE2 3.39Å
224N50.6Low60.5Low162 Ų16279.2 Ų79.287%0.86642%0.421SS*.THydrogen-bonded Turntrans5036.7178.4-59.4-23.1000114.3T226N224-T226 PolarHBondContact O-N 2.79Å
225G61.1Low60.4Low72 Ų7277 Ų7774%0.74241%0.414SS*.THydrogen-bonded Turntrans76.8-6.8-178.700000115.5V223V223-G225 PolarHBondContact O-N 3.08Å; V223-G225 VanDerWaalsContact O-N 3.08Å
226T43.3Very low60Low26 Ų2679.6 Ų79.616%0.1642%0.422CS..EExtended strand (participates in β ladder)trans-90145.316956.50000110.6T222 V223 N224 L702 K703T222-T226 CarbonylContact C-O 3.53Å; T222-T226 WeakPolarHBondContact CA-O 3.19Å; V223-T226 PolarHBondContact N-O 3.25Å; V223-T226 PolarHBondContact O-N 2.9Å; V223-T226 VanDerWaalsContact O-O 3.06Å; V223-T226 PolarHBondContact O-OG1 3.27Å; N224-T226 PolarHBondContact O-N 2.79Å; T226-L702 WeakPolarHBondContact CG2-O 3.47Å; T226-K703 HydrophobicContact CG2-CG 3.74Å
227K56.3Low59.4Low115 Ų11584.3 Ų84.350%0.544%0.444SS..EExtended strand (participates in β ladder)trans-88.2127.4169.8-71.1-167.2176.3-170.90109.6V220 K221V220-K227 HydrophobicContact CG1-CD 4.22Å; K221-K227 WeakPolarHBondContact O-CA 3.31Å
228E61.6Low58.1Low65 Ų6586.5 Ų86.530%0.30445%0.452SS..EExtended strand (participates in β ladder)trans-103.1130.1168.9-63.3-177.5158.500108.4V220 K221 V223V220-E228 WeakPolarHBondContact CA-O 3.32Å; K221-E228 HydrophobicContact CB-CB 4.48Å; K221-E228 PolarHBondContact N-O 3.3Å; K221-E228 PolarHBondContact O-N 3.39Å; V223-E228 HydrophobicContact CG2-CG 4.46Å; V223-E228 WeakPolarHBondContact CG2-OE2 3.39Å
229L61Low56.8Low50 Ų5087.8 Ų87.826%0.26246%0.456SS..EExtended strand (participates in β ladder)trans-108.9124.1179.3-56.3177.8000109.3L217 V220L217-L229 HydrophobicContact CD1-CB 4.13Å; L217-L229 HydrophobicContact CD1-CD2 4.15Å; V220-L229 HydrophobicContact CB-CD2 4.39Å; V220-L229 HydrophobicContact CG1-CD2 4Å; V220-L229 HydrophobicContact CG2-CD2 3.82Å
230K61.5Low55.5Low74 Ų7492.9 Ų92.932%0.32248%0.48SS..EExtended strand (participates in β ladder)trans-99.1108.5173.8-170.1178.1-178.8179.80109.1V218 E219 F697V218-K230 PolarHBondContact N-O 2.9Å; E219-K230 HydrophobicContact CB-CB 3.72Å; E219-K230 HydrophobicContact CB-CD 4.04Å; E219-K230 HydrophobicContact CB-CG 4.48Å; E219-K230 PolarHBondContact N-O 3.02Å; E219-K230 PolarHBondContact O-N 3.39Å; E219-K230 WeakPolarHBondContact OE2-CD 3.43Å; E219-K230 IonicContact OE2-NZ 3.2Å; K230-F697 HydrophobicContact CD-CD1 4.46Å; K230-F697 HydrophobicContact CD-CE1 4.39Å; K230-F697 VanDerWaalsContact CE-CE1 3.48Å; K230-F697 HydrophobicContact CG-CD1 3.84Å; K230-F697 HydrophobicContact CG-CE1 4.13Å; K230-F697 HydrophobicContact CG-CG 4.47Å
231L58.9Low54.2Low45 Ų4593.3 Ų93.324%0.23649%0.486CS..EExtended strand (participates in β ladder)trans-104136.6-176.2-58.6177.3000111V215 E216 L217V215-L231 HydrophobicContact CG1-CB 3.92Å; V215-L231 HydrophobicContact CG1-CD1 4.2Å; V215-L231 HydrophobicContact CG1-CD2 4.04Å; V215-L231 HydrophobicContact CG1-CG 4.27Å; E216-L231 CarbonylContact O-C 3.58Å; E216-L231 WeakPolarHBondContact O-CA 3.31Å; L217-L231 HydrophobicContact CB-CD2 4.25Å; L217-L231 HydrophobicContact CD1-CD2 3.68Å
232R62.7Low53.2Low128 Ų12893.3 Ų93.348%0.48349%0.494SS..EExtended strand (participates in β ladder)trans-106.7126.4168.2177.416674.91510109.4V215 E216 V218 I234V215-R232 WeakPolarHBondContact CA-O 3.48Å; E216-R232 HydrophobicContact CB-CB 4.47Å; E216-R232 PolarHBondContact N-O 2.88Å; E216-R232 PolarHBondContact O-N 3.16Å; E216-R232 IonicContact OE1-NH2 3.56Å; E216-R232 IonicContact OE2-CZ 3.46Å; E216-R232 IonicContact OE2-NE 3.81Å; E216-R232 PolarHBondContact OE2-NE 3.23Å; E216-R232 IonicContact OE2-NH2 2.81Å; E216-R232 PolarHBondContact OE2-NH2 2.72Å; V218-R232 HydrophobicContact CG2-CB 3.5Å; V218-R232 VanDerWaalsContact CG2-CB 3.5Å; R232-I234 HydrophobicContact CG-CG1 4.25Å
233L61.2Low52.2Low78 Ų7895.4 Ų95.441%0.40850%0.5SS..EExtended strand (participates in β ladder)trans-85.1132.5169.5-78.5143.9000109.2I209 C213 V215I209-L233 HydrophobicContact CG2-CD2 3.95Å; C213-L233 HydrophobicContact CB-CD2 3.94Å; V215-L233 HydrophobicContact CG2-CD2 3.7Å; V215-L233 HydrophobicContact CG2-CG 4.29Å
234I66.6Low51.3Low51 Ų51101 Ų10126%0.26252%0.52SS..EExtended strand (participates in β ladder)trans-121.5117.2179.3-56.1174.9000107.6C213 L214 E216 R232C213-I234 CarbonylContact C-O 3.52Å; C213-I234 WeakPolarHBondContact CA-O 3.43Å; L214-I234 HydrophobicContact CB-CB 4.42Å; L214-I234 PolarHBondContact N-O 3.37Å; L214-I234 PolarHBondContact O-N 3.43Å; E216-I234 HydrophobicContact CB-CD1 3.98Å; R232-I234 HydrophobicContact CG-CG1 4.25Å
235S52.1Low50.4Low53 Ų53100 Ų10037%0.37151%0.514SS..EExtended strand (participates in β ladder)trans-71.7135.4173.1-177.60000110.4Q237S235-Q237 PolarHBondContact O-N 2.8Å; S235-Q237 PolarHBondContact OG-N 3.47Å
236Q54.2Low49.1Very low116 Ų116102.7 Ų102.754%0.54252%0.517SS..G310 helixtrans-70.1-10.6172.2-73.1177.8-1600113.1G212 L214 E238G212-Q236 VanDerWaalsContact O-CB 3.24Å; G212-Q236 WeakPolarHBondContact O-CB 3.41Å; G212-Q236 VanDerWaalsContact O-CG 3.23Å; G212-Q236 WeakPolarHBondContact O-CG 3.25Å; G212-Q236 PolarHBondContact O-N 2.84Å; L214-Q236 HydrophobicContact CD1-CG 4.47Å; L214-Q236 HydrophobicContact CG-CG 4.25Å; Q236-E238 VanDerWaalsContact C-N 3.32Å; Q236-E238 PolarHBondContact O-N 2.84Å
237Q48.8Very low48.5Very low178 Ų178111.2 Ų111.283%0.83255%0.552SS**G310 helixtrans-79.2-3-170.3-163.2162-3.800115.3S235S235-Q237 PolarHBondContact O-N 2.8Å; S235-Q237 PolarHBondContact OG-N 3.47Å
238E41.3Very low47.4Very low144 Ų144111.6 Ų111.667%0.67357%0.569SS**G310 helixtrans-1112.1-178-65.3-170.1127.400115.1Q236 S241Q236-E238 VanDerWaalsContact C-N 3.32Å; Q236-E238 PolarHBondContact O-N 2.84Å; E238-S241 PolarHBondContact O-OG 2.93Å; E238-S241 VanDerWaalsContact O-OG 3.08Å
239N40.8Very low45.7Very low99 Ų99113.2 Ų113.253%0.52959%0.594SS.*THydrogen-bonded Turntrans-93.96.9-175.1-86.7-38.5000116.3
240E38.8Very low44Very low177 Ų177117.6 Ų117.683%0.82762%0.622SS**THydrogen-bonded Turntrans-94.2-10.2170-69-152138.400114.4
241S38.9Very low42.5Very low76 Ų76121 Ų12153%0.53164%0.644SS.*THydrogen-bonded Turntrans-94-37.2-178.7540000113.6E238E238-S241 PolarHBondContact O-OG 2.93Å; E238-S241 VanDerWaalsContact O-OG 3.08Å
242V41.5Very low41.1Very low99 Ų99128 Ų12860%0.668%0.675SS**G310 helixtrans-79.3-30.4-168.5-176.30000113.6K244V242-K244 PolarHBondContact O-N 2.9Å
243I38.4Very low39.4Very low143 Ų143129.1 Ų129.173%0.73369%0.691SS**G310 helixtrans-78.3-3.2-173.9-61.1177.7000113.2
244K38.2Very low38.6Very low171 Ų171130.8 Ų130.874%0.74371%0.706SS**G310 helixtrans-90.2-17.6177.3-75.2175.3179.3164.20114.6V242 T246V242-K244 PolarHBondContact O-N 2.9Å; K244-T246 PolarHBondContact O-N 3.09Å
245N31.4Very low36.5Very low139 Ų139131.5 Ų131.574%0.74373%0.726SS**SBendtrans-98.953.6-170.3-70.6-0.4000113.6
246T32.9Very low36.1Very low129 Ų129135 Ų13579%0.79175%0.747SS**SBendtrans-148.941169.8-32.60000113.4K244K244-T246 PolarHBondContact O-N 3.09Å
247K32.4Very low34.6Very low205 Ų205138.2 Ų138.289%0.89176%0.763SS**SBendtrans-157.648.1173.5-127.8169.8-170.9178.30118.4
248S31.3Very low33.6Very low123 Ų123139.1 Ų139.186%0.8676%0.764SS**  trans-164.3106.216453.40000112.6
249A27.5Very low33.2Very low100 Ų100137.3 Ų137.383%0.82676%0.764SS**  trans-158.254.2177.900000114.6
250T24.9Very low32.4Very low141 Ų141139.6 Ų139.687%0.86578%0.776SS**  trans-160.296.1158.3-23.60000106.5
251L29.7Very low31.6Very low147 Ų147136.3 Ų136.377%0.7777%0.772SS**  95.1100.453.4-174.2131.8000112.6
252Q29.1Very low30.8Very low190 Ų190137.7 Ų137.789%0.88878%0.782SS**  trans-167156.1137.5-108.8151.69900111.3
253D27.6Very low30Very low153 Ų153138.2 Ų138.282%0.81879%0.786SS**  trans-137178.5-172.9-149.336.4000106
254P43.4Very low29.4Very low113 Ų113137.8 Ų137.873%0.73478%0.784SS**  cis-133.7-171.111.740.7-19.4000116.1
255G24.2Very low28.8Very low66 Ų66137 Ų13768%0.6878%0.783SS**  trans-82.4-143.4-179.100000115.7
256P41.8Very low28.8Very low125 Ų125139 Ų13981%0.81279%0.787SS**  cis-137-151.923.540.7-19.1000115.2
257E24.5Very low29.1Very low185 Ų185137.5 Ų137.586%0.86478%0.78SS**  trans106.3150.6161.1-54.6-147.7157.300121.6
258K26.7Very low28.8Very low197 Ų197134.3 Ų134.386%0.85777%0.772SS**  trans-161.8154.2-176-107-177.2179.11780104.8
259P33.1Very low28.6Very low105 Ų105134.1 Ų134.168%0.68277%0.766SS**  -155.7-166.853.243-21.4000116.2
260L23.1Very low28.6Very low148 Ų148137 Ų13778%0.77577%0.765SS**  trans66.5132.7163.7-60.6173.9000116.1
261S22.2Very low28.8Very low107 Ų107141.9 Ų141.975%0.74877%0.767SS**  63.8118.764.1-53.40000112.6
262S22.7Very low28.8Very low105 Ų105139.8 Ų139.873%0.73476%0.764SS**  cis-151.4-144.8-343.20000109.7
263T25.1Very low28.8Very low111 Ų111137.3 Ų137.368%0.68176%0.762SS**  cis-163.9-15714.6-24.60000110.1
264L25.2Very low28.9Very low134 Ų134135.2 Ų135.270%0.70276%0.76SS**  trans5.5138.3150-62.4162.9000118.7
265H26.5Very low28.3Very low155 Ų155134.2 Ų134.272%0.71876%0.761SS**  cis-142.415022.3-83.9-84.1000114.5
266H30.3Very low28.5Very low180 Ų180135.7 Ų135.783%0.83376%0.76SS**  -108.6168129.6-89.839.4000106.4
267P39.6Very low28Very low98 Ų98137.3 Ų137.364%0.63676%0.759SS**  cis-141.4-168.519.142.5-23000116.3
268N25.3Very low28.2Very low138 Ų138134 Ų13474%0.73876%0.755SS**  trans85.1128.2142-75.2-10.4000123.6
269T27.7Very low28.5Very low119 Ų119131.1 Ų131.173%0.7375%0.754SS**  96.7137.5129.740.40000124.8
270M27.4Very low28.3Very low161 Ų161129.3 Ų129.379%0.79375%0.754SS**  trans65.769.9153.1-59.6-48.4178.100122.7
271R29.4Very low28.7Very low243 Ų243128.2 Ų128.292%0.91776%0.759SS**  21.1107.8108.3-170-166.5-152.8168.57.9119.8
272S29Very low29.2Very low102 Ų102135.2 Ų135.271%0.71377%0.769SS**  trans-160.7132.7149.5300000108.8
273V30.2Very low29.7Very low138 Ų138138.1 Ų138.184%0.83677%0.768SS**  62.1122.780.4176.40000112
274S30.1Very low30.2Very low110 Ų110140.3 Ų140.377%0.76977%0.771SS**  cis-164.6-163-7.453.90000111.6
275A29.8Very low30.6Very low92 Ų92138.4 Ų138.476%0.7677%0.769SS**  trans-64.1175.9174.100000113.2
276S28.7Very low30.9Very low96 Ų96139 Ų13967%0.67177%0.772SS**  cis-170.41712871.80000115.1
277M31.7Very low31Very low160 Ų160135.7 Ų135.779%0.78877%0.765SS**  trans68.9165.9158.6-60-69.295.700116.2
278C28.1Very low30.9Very low114 Ų114139.1 Ų139.177%0.7777%0.769SS**  cis-141.4170.923.8-69.70000116.5
279T32.5Very low31.1Very low138 Ų138136.8 Ų136.885%0.84776%0.755SS**  trans-39.5167.615952.50000116.6
280G29.1Very low31.3Very low66 Ų66139.2 Ų139.268%0.6876%0.76SS**  cis138.9107.44.800000114.1
281S32.9Very low31.7Very low125 Ų125135.4 Ų135.487%0.87476%0.755SS**  trans56.6121149.4-52.60000123.9
282R31.3Very low31.7Very low255 Ų255130.9 Ų130.996%0.96275%0.749SS**  trans-155.9-176.9139.6-123.9177.2-176.5-172.1-0.3114.9
283K33.6Very low31.7Very low165 Ų165133.5 Ų133.572%0.71775%0.753SS**  trans-114.8159.2-149.6-60.7170.1146.8-156.60115.8
284Q35Very low31.5Very low157 Ų157129.9 Ų129.973%0.73474%0.744SS**  trans50.4154.2130.1-67.3173.9-60.600121.1
285S34.3Very low31.4Very low94 Ų94131.3 Ų131.366%0.65775%0.748SS**  cis-172.7-167.5-9.746.60000111.2
286E32.1Very low31.2Very low167 Ų167134.1 Ų134.178%0.7875%0.75SS**  trans87.2155.8165.1-56-166.2172.200119.1
287T33.8Very low32.5Very low111 Ų111135.1 Ų135.168%0.68175%0.754SS**  cis-142.7-135.6-34.338.70000112.8
288K36.2Very low33.1Very low170 Ų170132.4 Ų132.474%0.73975%0.748SS**  trans-162.7143.8-149.7171.9-167.5173.7-170.40117.4
289M30.8Very low33.2Very low89 Ų89134.8 Ų134.844%0.43875%0.754SS.*  trans-169.7134.7145.3-98.2172.6-156.500109.4
290M31.5Very low33Very low170 Ų170135.6 Ų135.684%0.83775%0.753SS**  66.5142.676.4-80.6-179.9147.800116.8
291A35.6Very low33.9Very low82 Ų82136.5 Ų136.568%0.67875%0.747SS**  cis179147.8-26.900000111.1
292N30Very low33.6Very low148 Ų148136.3 Ų136.379%0.79174%0.74SS**  trans176.3149.3141-106.5-12000117.2
293I27.5Very low33.3Very low156 Ų156130.9 Ų130.980%0.873%0.73SS**  trans55.7139.9150.9-56161.3000118.9
294G27.3Very low33Very low63 Ų63128.4 Ų128.465%0.64973%0.729SS**  cis151.1159.9-8.700000114.6
295V26.9Very low32.5Very low140 Ų140127 Ų12785%0.84873%0.731SS**  trans89143.9168-169.60000118.7
296N26.6Very low32.2Very low150 Ų150128.2 Ų128.280%0.80274%0.735SS**  trans-133-165.7-173.8-62.1-63000110
297P56.4Low32.1Very low117 Ų117129 Ų12976%0.7674%0.735SS**  cis-115.3-101.3-17.232.2-9.3000112.2
298P44.6Very low31.8Very low103 Ų103130.5 Ų130.567%0.66973%0.734SS**  cis-130.3147.6-12.739.8-21.2000118.7
299N28.9Very low31.5Very low165 Ų165130.2 Ų130.288%0.88273%0.733SS**  trans58.7155.4141.2-66.4-4.3000126.7
300N29.2Very low31.3Very low154 Ų154132.7 Ų132.782%0.82475%0.753SS**  trans-113-172.9170.9-152.724.9000107
301P48.1Very low31.2Very low86 Ų86129.9 Ų129.956%0.55875%0.745SS**  cis-138.1-157.3-3.640.4-17.9000114.5
302T25.2Very low30.8Very low120 Ų120134.3 Ų134.374%0.73676%0.757SS**  trans68.3155.915438.90000119.6
303N25.2Very low30.8Very low141 Ų141135.7 Ų135.775%0.75476%0.756SS**  cis-163.7163.9-24.5-134-10.3000111.7
304V27.2Very low31.2Very low114 Ų114139.9 Ų139.969%0.69176%0.762SS**  trans68.8118.7143.2165.30000123.2
305V25.5Very low31.4Very low128 Ų128143.1 Ų143.178%0.77677%0.771SS**  trans65.3143.4145.7168.50000118.4
306T27.7Very low31.5Very low119 Ų119141.6 Ų141.673%0.7377%0.767SS**  cis-108.7152.618.544.10000114.9
307K30.3Very low31.7Very low183 Ų183142.4 Ų142.480%0.79677%0.768SS**  46.7134.781.9-68.8-179.3-178.2177.90114.1
308E27.2Very low30.2Very low142 Ų142144.9 Ų144.966%0.66477%0.769SS**  cis-148-174.321.6-135.1-174.8163.900116
309K28.8Very low29.6Very low164 Ų164146.8 Ų146.871%0.71377%0.772SS**  trans-17.5155170.2-66.5153.4-177.41570118.1
310V28.4Very low29.4Very low142 Ų142144.5 Ų144.586%0.86176%0.759SS**  cis-142.1149.146.7172.90000114.7
311V28Very low29.5Very low111 Ų111144 Ų14467%0.67376%0.756SS**  trans-64.4142.7177.2174.20000113.8
312L28.4Very low28.6Very low175 Ų175147.7 Ų147.792%0.91677%0.77SS**  trans-148103.8140.6-115164.4000111
313K28.7Very low28.7Very low177 Ų177150.5 Ų150.577%0.7778%0.775SS**  trans-84.9154.9169.4-75.7-176.8176.4179.10109.8
314R35.9Very low28.8Very low244 Ų244149 Ų14992%0.92177%0.774SS**  trans-60.2145.5158-57.8176-175.4131.40.3110
315P32.7Very low28.8Very low130 Ų130150.5 Ų150.584%0.84478%0.778SS**  trans-108.1173.713034.4-31.4000110.5
316S28.7Very low28.8Very low109 Ų109148 Ų14876%0.76277%0.771SS**  trans-129.5141-178.253.20000110.6
317M30.6Very low28.7Very low167 Ų167148.5 Ų148.582%0.82377%0.774SS**  trans56.2116.6170.3-67.8-17067.800117.4
318E24.3Very low28.7Very low168 Ų168147.8 Ų147.879%0.78578%0.777SS**  trans-138.8133.5136.9-122.9160.4-146.300107.8I320E318-I320 HydrophobicContact CB-CG1 4.49Å; E318-I320 HydrophobicContact CG-CD1 4.33Å; E318-I320 HydrophobicContact CG-CG1 4.36Å
319I33.1Very low29Very low144 Ų144145.5 Ų145.574%0.73878%0.775SS**  trans-102.7110.7165-64.7175.1000104.9
320I23.9Very low29Very low117 Ų117144.3 Ų144.360%0.678%0.776SS**  trans-121.6112.7171.5-65.6178.5000106.5E318 L322E318-I320 HydrophobicContact CB-CG1 4.49Å; E318-I320 HydrophobicContact CG-CD1 4.33Å; E318-I320 HydrophobicContact CG-CG1 4.36Å; I320-L322 HydrophobicContact CG2-CD1 3.94Å
321N32.3Very low29.2Very low143 Ų143146.3 Ų146.377%0.76577%0.773SS**  trans-67.8140.2158.9-66.3-30.5000107.3
322L27.8Very low29.3Very low164 Ų164147.3 Ų147.386%0.85978%0.779SS**  trans-110.9123.8161.2-128.871.5000108.6I320I320-L322 HydrophobicContact CG2-CD1 3.94Å
323E28.1Very low29.5Very low179 Ų179143.1 Ų143.184%0.83676%0.764SS**  trans-79.6167.7173.4-63.5169.2101.500111.1
324C27.4Very low29.9Very low108 Ų108144.1 Ų144.173%0.7377%0.769SS**  trans161.5132.9152-91.90000106.3
325D26.4Very low29.6Very low146 Ų146138.6 Ų138.678%0.78176%0.762SS**  cis-159.4167.62-86.1-40.7000107.6
326A27.1Very low29.4Very low77 Ų77139.9 Ų139.964%0.63676%0.76SS**  cis-170.7175.9-26.400000108.7
327V25.5Very low29.4Very low128 Ų128141.9 Ų141.978%0.77676%0.762SS**  trans67.3108163.6-167.80000118.4
328I28.5Very low29.3Very low169 Ų169139.8 Ų139.887%0.86776%0.759SS**  trans-120.9131.8144-63.1175.3000107.8
329P35.4Very low30.3Very low94 Ų94137 Ų13761%0.6176%0.755SS**  trans-99.6123.3171.133.7-26.6000113.4
330N28.8Very low30Very low139 Ų139137.6 Ų137.674%0.74376%0.757SS**  trans83.2130.4142.4-69.3-48.2000123.5
331K31.6Very low30.4Very low184 Ų184142.1 Ų142.180%0.877%0.766SS**  trans80.5119.5149.3-67.4164.9-176.1178.60117.8
332V29.8Very low30.6Very low132 Ų132142 Ų14280%0.876%0.761SS**  cis99.413042.21590000110.9
333S31.9Very low30.9Very low87 Ų87138 Ų13861%0.60875%0.751SS**  cis-175163.9-10.7-92.50000112.5
334K37.9Very low31.4Very low198 Ų198136.8 Ų136.886%0.86175%0.75SS**  trans71.1158.3157.3-69.2157.9-177.4179.80116
335T29.1Very low31.8Very low128 Ų128138.3 Ų138.379%0.78576%0.757SS**  cis-120.1-166.411.958.40000110.8
336I30.2Very low32.1Very low156 Ų156134.3 Ų134.380%0.875%0.75SS**  cis-136.6-121.91.4-162.3166.6000112.8
337L28.2Very low32.4Very low151 Ų151138.5 Ų138.579%0.79176%0.76SS**  trans-148.1171.5-163.1-84.9168.4000115.7
338T28.6Very low32.8Very low124 Ų124143.1 Ų143.176%0.76176%0.763SS**  trans-86.6-159.4-172.152.10000113.2
339P43.8Very low32.9Very low108 Ų108140.3 Ų140.370%0.70175%0.754SS**  cis-149.3167.15.143.4-21.4000122.4
340M27.7Very low32.7Very low158 Ų158140.8 Ų140.878%0.77876%0.756SS**  trans29.7139.8141.4-63.2-178.86300127.2
341R33.3Very low32.9Very low211 Ų211142.4 Ų142.480%0.79676%0.759SS**  179.1135.8113.7-99.2-171.9154.7135.35.5113.2
342E35.6Very low32.7Very low141 Ų141137.8 Ų137.866%0.65976%0.755SS**  68141.986.3-66.9179.6162.600116.6
343A34Very low32.5Very low79 Ų79136 Ų13665%0.65375%0.753SS**  cis-172.1167-16.100000113.2
344N39Very low33.2Very low154 Ų154137.2 Ų137.282%0.82476%0.76SS**  trans65.6157.3160.5-60.6-26000119.2
345T35.7Very low32.8Very low141 Ų141133.7 Ų133.787%0.86575%0.754SS**  cis-167.7176.9-14.324.50000107.6
346G32.3Very low32.9Very low62 Ų62133.7 Ų133.764%0.63975%0.749SS**  cis160.3171.8-100000111.9
347I33Very low33Very low165 Ų165133.5 Ų133.585%0.84675%0.745SS**  trans71.4151.3165.7-61.9175.2000117.1
348R34.5Very low33Very low224 Ų224132 Ų13285%0.84574%0.742SS**  cis-176.6174.2-36.8-98.4172.8-177.1178.51.2107.7
349V30.3Very low33Very low110 Ų110131.1 Ų131.167%0.66774%0.74SS**  cis-173.5164.7-46.2730000111.3
350T30.8Very low32.1Very low105 Ų105131.7 Ų131.764%0.64475%0.747SS**  trans70.1160.1160.956.50000121.5
351Q32.7Very low32Very low173 Ų173129.8 Ų129.881%0.80875%0.749SS**  cis-162.5158.7-14.9-115.6168.35.800116.6
352A28.1Very low31.9Very low87 Ų87125.6 Ų125.672%0.71975%0.752SS**  trans34.8129133.400000123.5
353A26.6Very low31.5Very low93 Ų93122.4 Ų122.477%0.76976%0.757SS**  88.2-169.579.600000113.1
354P44.7Very low31.4Very low114 Ų114124.8 Ų124.874%0.7476%0.764SS**  cis-115.4157.6-28.73.922.7000113.2
355V30Very low30.9Very low124 Ų124125.7 Ų125.775%0.75277%0.765SS**  89.8135.169.8173.70000117.1
356N31.7Very low30.7Very low127 Ų127124.1 Ų124.168%0.67976%0.759SS**  trans114.5122.7149.3-88.4-4000126.2
357H32.2Very low30.5Very low153 Ų153124.7 Ų124.771%0.70877%0.766SS**  trans65116.4130.9-66.9-30.7000128.2
358V28.6Very low30.4Very low120 Ų120128.5 Ų128.573%0.72777%0.769SS**  86.6121.7116.8175.70000123.6
359S27.5Very low30.1Very low104 Ų104121 Ų12173%0.72776%0.762SS**  trans83.3164.6146.277.80000123.4
360S26.4Very low30.8Very low121 Ų121122.2 Ų122.285%0.84677%0.772SS**  trans81.6174.5172.580.50000118
361S25.6Very low30.8Very low118 Ų118124.1 Ų124.183%0.82578%0.776SS**  trans-138.4166-136.756.40000116.8
362S31.7Very low30.6Very low122 Ų122126.4 Ų126.485%0.85378%0.778SS**  trans-53.5152.7177.2-1750000115.3
363G26.2Very low30.6Very low74 Ų74128.2 Ų128.276%0.76378%0.775SS**  trans-168.274.3172.500000115.2
364V30.9Very low30.6Very low130 Ų130130.2 Ų130.279%0.78877%0.773SS**  trans-135.3126.9158.4-177.50000110.3
365M29.9Very low29.8Very low173 Ų173129.9 Ų129.985%0.85278%0.779SS**  trans-145.4154.4175.9-78.6-76104.100106.9
366S31.4Very low29.6Very low107 Ų107127.6 Ų127.675%0.74878%0.781SS**  cis-167.2155.7-18.2-174.90000107.7
367G28Very low29.3Very low75 Ų75129.3 Ų129.377%0.77379%0.789SS**  trans-157.3121.4-177.800000113.6
368R31.5Very low29.2Very low245 Ų245130.3 Ų130.393%0.92579%0.794SS**  trans-88.3155.3-166.6-58.6173.5179.2-177.7-1.4112.9
369G28.2Very low30.2Very low66 Ų66129.2 Ų129.268%0.6879%0.789SS**  trans-93.4162.8172.600000114
370P44.6Very low30.3Very low136 Ų136130.2 Ų130.288%0.88379%0.79SS**  trans-97175.3136.6-23.137.6000114.3
371I31.1Very low30.4Very low144 Ų144129.7 Ų129.774%0.73878%0.782SS**  trans-152.9143.2-155.4-87.7161.6000112.8
372R28.4Very low30.6Very low221 Ų221130.4 Ų130.483%0.83478%0.781SS**  trans74.5164.7167.1-68.3165.2177.7-121.50.6118.7
373L27.6Very low30.4Very low126 Ų126129 Ų12966%0.6678%0.777SS**  cis-165.4173-19.7-106.4169.1000112.9
374N26.8Very low30.5Very low135 Ų135129.3 Ų129.372%0.72277%0.773SS**  trans70.1108149.8-73.52.6000123.7
375A27.2Very low30.4Very low106 Ų106132.8 Ų132.888%0.87678%0.777SS**  37.9136.7111.800000123.4
376G25.5Very low30.2Very low76 Ų76130.3 Ų130.378%0.78477%0.772SS**  trans-169.6156.9163.700000111.6
377L26.5Very low30Very low164 Ų164129 Ų12986%0.85976%0.763SS**  trans-142.1133.6-170.2-84.7163.3000113.8
378H29.5Very low30.2Very low174 Ų174133.3 Ų133.381%0.80676%0.762SS**  trans62.5178.8151.7-102.3-93.3000117.5
379P50.1Low30Very low96 Ų96132.3 Ų132.362%0.62376%0.759SS**  cis-135.9-174.2-14.734.9-14.4000115.7
380V30.2Very low30.1Very low125 Ų125137.4 Ų137.476%0.75877%0.768SS**  trans69.9141.4138.2153.10000119.5
381T28.3Very low29.4Very low111 Ų111136.2 Ų136.268%0.68176%0.758SS**  cis-166.6148.2-11.232.60000113.4
382V29.3Very low29.2Very low133 Ų133135.9 Ų135.981%0.80676%0.758SS**  trans65.7135.8132.9175.60000123.2
383A26.8Very low29.2Very low92 Ų92131.7 Ų131.776%0.7675%0.748SS**  trans72.5155.9153.500000121
384A28.9Very low29.2Very low81 Ų81134.7 Ų134.767%0.66975%0.751SS**  cis-175150.9-29.500000111.3
385K27.9Very low29.3Very low202 Ų202132.6 Ų132.688%0.87875%0.746SS**  trans63.9162.4154.7-71.6178.6178.5-178.50115.9
386V26.8Very low29.3Very low122 Ų122134.7 Ų134.774%0.73974%0.743SS**  cis-154.1172.9-21050000111.6
387S27.5Very low29.3Very low80 Ų80135.9 Ų135.956%0.55974%0.739SS**  trans16121.4160.8-63.10000121.5
388Q31.1Very low29.2Very low164 Ų164134.4 Ų134.477%0.76674%0.737SS**  73.6117.387-66.2164.9-70.100117.1
389R28.2Very low29.2Very low225 Ų225132 Ų13285%0.84973%0.734SS**  trans36.3111.9130.6-55.1-178.6-174.6-178.40.5119.1
390I30.2Very low28.1Very low173 Ų173134 Ų13489%0.88774%0.74SS**  -127.8156.7123-66.7-171.8000107.4
391V29.7Very low28Very low110 Ų110135.1 Ų135.167%0.66774%0.741SS**  trans-120.9134.4-178.3172.30000105.3
392D27.1Very low27.9Very low138 Ų138133.8 Ų133.874%0.73874%0.736SS**  -172.5177.782.7-134.5-36000114.9
393E27.3Very low28Very low132 Ų132136.2 Ų136.262%0.61774%0.736SS**  trans29.6129.4147.9-74.8-114.1100.800119.8
394R29.4Very low28Very low190 Ų190136.7 Ų136.772%0.71773%0.734SS**  cis166.4164.228.1178.8-178.9-165.6117.5-0.2109.8
395S28.8Very low27.9Very low91 Ų91140.1 Ų140.164%0.63674%0.739SS**  trans69.4114159.742.50000122.5
396N26.1Very low29Very low150 Ų150136.3 Ų136.380%0.80274%0.735SS**  72.993.9128.7-58.96.6000121.8
397S24.7Very low30.2Very low101 Ų101135 Ų13571%0.70673%0.729SS**  12.6124.2122.259.80000120.9
398T25.4Very low30.6Very low132 Ų132142.2 Ų142.281%0.8174%0.744SS**  -171.5124.1118.723.60000108.5
399V29.1Very low30.6Very low124 Ų124145.3 Ų145.375%0.75275%0.749SS**  87120.881.2164.60000114.3
400D26.7Very low30.7Very low139 Ų139141.1 Ų141.174%0.74374%0.742SS**  trans76.2160152.9-106-40.1000124.8
401L28.9Very low30.8Very low147 Ų147137.5 Ų137.577%0.7773%0.732SS**  trans56.2162.7158.2-92.366.9000119.8
402S27Very low31.1Very low84 Ų84137.8 Ų137.859%0.58773%0.73SS**  -169.8162.4-54.764.50000109.1
403K29.6Very low31.7Very low184 Ų184136.8 Ų136.880%0.873%0.729SS**  trans50107.3149.2-69.9174.7178.2174.70120.1
404S27.5Very low32.2Very low102 Ų102136.7 Ų136.771%0.71373%0.733SS**  94.8164109.378.40000122.3
405I27.4Very low32.5Very low153 Ų153134 Ų13479%0.78573%0.733SS**  trans91.9130.4163.2-65.4163.2000117
406P51.3Low32.9Very low121 Ų121133.2 Ų133.279%0.78672%0.724SS**  trans-107-109.2-178.534.6-16000113.2
407P51.9Low33.2Very low94 Ų94134 Ų13461%0.6172%0.723SS**  cis-140.3169.22.144.3-24.8000119.5
408R34.5Very low33.6Very low233 Ų233136.2 Ų136.288%0.87972%0.722SS**  trans80.2162.1140.7-88.6172.5173.9167.8-3.3123.8
409R31.9Very low33.9Very low229 Ų229134.8 Ų134.886%0.86471%0.713SS**  trans77.1134.5172.2-58.2-169.1-165.5-120.55.5114.1
410L29.9Very low34.1Very low137 Ų137134 Ų13472%0.71771%0.712SS**  cis-154.4165.7-7-105.7175.3000106.1D412L410-D412 WeakPolarHBondContact CD2-OD2 3.31Å
411S33.2Very low34.4Very low96 Ų96131.6 Ų131.667%0.67171%0.712SS**  cis-147.5164.64.956.20000112.7
412D34.7Very low35.7Very low117 Ų117130.1 Ų130.163%0.62671%0.711SS**  -9143.6126.1-44.3-96000115.2L410L410-D412 WeakPolarHBondContact CD2-OD2 3.31Å
413T39.6Very low35.7Very low116 Ų116131.5 Ų131.571%0.71272%0.716SS**  cis-161.2173.5-216.30000107.6
414N38.8Very low35.7Very low131 Ų131131.3 Ų131.370%0.70172%0.715SS**  cis-136.6-156.61.7-137.1-10.3000108.3
415N35.8Very low35.8Very low134 Ų134134.4 Ų134.472%0.71772%0.723SS**  cis-150.3-177.216.4-151.379.7000111.6
416V36.9Very low35.7Very low74 Ų74130.5 Ų130.545%0.44872%0.72SS.*  trans-118.6159.4179.4162.40000108.4E418V416-E418 HydrophobicContact CG1-CG 4.1Å; V416-E418 WeakPolarHBondContact CG1-OE2 3.39Å
417Q33Very low34.5Very low167 Ų167129.3 Ų129.378%0.7872%0.721SS**  cis-88167.21.5-77.181.912.700115.1
418E33.2Very low33.4Very low146 Ų146135 Ų13568%0.68273%0.73SS**  cis88.5150.414.4-61.3-163.3118.300116.8V416V416-E418 HydrophobicContact CG1-CG 4.1Å; V416-E418 WeakPolarHBondContact CG1-OE2 3.39Å
419V31.7Very low33.1Very low103 Ų103130.1 Ų130.162%0.62472%0.717SS**  cis-148.1129.3-5.8112.10000106.4
420S31.8Very low32.8Very low106 Ų106125 Ų12574%0.74171%0.712SS**  6714882-520000115.2
421A33Very low32.6Very low90 Ų90129 Ų12974%0.74472%0.717SS**  cis-165.8-144.4-22.600000108.8
422P57.1Low32.2Very low115 Ų115131.1 Ų131.175%0.74772%0.72SS**  trans-132.1-159.6-136.635.6-9.8000115.4
423V26.3Very low31.8Very low113 Ų113134 Ų13469%0.68573%0.727SS**  trans143.1126.4134.8164.90000116.6
424K30.8Very low31.2Very low180 Ų180133.1 Ų133.178%0.78373%0.725SS**  trans57.8140.3155.3-73.2171.4-178.11770119.4
425L29.1Very low30.7Very low167 Ų167134.5 Ų134.587%0.87473%0.733SS**  65122.755.2-59.9174.1000113.8
426G24.8Very low30.4Very low71 Ų71133.2 Ų133.273%0.73273%0.734SS**  cis158.9174.5-8.100000113.8
427A27.1Very low30.1Very low97 Ų97134.5 Ų134.580%0.80275%0.752SS**  trans75.5145160.900000121.8
428R28.3Very low29.9Very low213 Ų213131.6 Ų131.680%0.80475%0.751SS**  trans66.8158.3157.9-61.7-176.8116.4172.8-11.1117.9
429E27.8Very low29.9Very low130 Ų130132 Ų13261%0.60775%0.751SS**  cis-160.3146.7-22.1-111.4167.9-179.300110.3
430V25.3Very low29.9Very low123 Ų123134.1 Ų134.175%0.74575%0.753SS**  trans57.9130.7139.31770000122.6
431R25.9Very low29.8Very low220 Ų220135.4 Ų135.483%0.8375%0.752SS**  trans90.6111.2151-91.7-180161.2155.7-2.4123.2
432L26.3Very low29.8Very low140 Ų140137.6 Ų137.673%0.73375%0.75SS**  83.6140.9123.9-79.8168.7000124
433K25.3Very low28.4Very low178 Ų178138.5 Ų138.577%0.77475%0.748SS**  trans77.584151.8-77-173.8174.7-1740121.3
434S27.1Very low28.7Very low97 Ų97138.9 Ų138.968%0.67875%0.751SS**  63.4143.411161.60000122.5
435N28.4Very low28.8Very low161 Ų161136.2 Ų136.286%0.86175%0.749SS**  trans83.2138.3176.1-56-7.5000113.6
436S29.6Very low28.8Very low107 Ų107133.6 Ų133.675%0.74874%0.744SS**  cis-154.1147.68.252.10000113.4
437A29.5Very low29Very low100 Ų100137 Ų13783%0.82674%0.744SS**  trans57.7152.8156.100000118.7
438S30.2Very low29.2Very low107 Ų107138.1 Ų138.175%0.74874%0.737SS**  cis-155136.1-11.634.50000107.4
439K32.7Very low29.3Very low155 Ų155134.8 Ų134.867%0.67473%0.73SS**  47.5114.2108.1-76.5-156.9171.4-73.30114.8
440E31.8Very low29.4Very low146 Ų146136.7 Ų136.768%0.68274%0.739SS**  71.7147.380-74.6167.1-139.600112.7
441D29.6Very low29.6Very low134 Ų134136.7 Ų136.772%0.71775%0.745SS**  cis-173.8-177.3-25-150.8-25.2000107.2
442I32.8Very low29.6Very low135 Ų135132.8 Ų132.869%0.69275%0.745SS**  trans73.6137.2143.9-77.1164.7000121.8
443D26.8Very low30.3Very low135 Ų135132 Ų13272%0.72275%0.748SS**  trans59.6108.4150.7-68.8-2.2000127.4
444V33.6Very low30.5Very low120 Ų120127.2 Ų127.273%0.72774%0.743SS**  59.9103.9102176.10000121.1
445V33.5Very low30.7Very low125 Ų125127 Ų12776%0.75874%0.741SS**  trans82.8138.5135.5168.40000121.9
446C29Very low30.7Very low112 Ų112128.4 Ų128.476%0.75774%0.739SS**  trans71.1142.4168.5-77.40000118
447L29.5Very low30.5Very low142 Ų142127.9 Ų127.974%0.74374%0.735SS**  cis-158148.2-14.7-161.278.5000111.1
448D29.8Very low30.4Very low121 Ų121129.9 Ų129.965%0.64773%0.731SS**  trans78.3138.8144.7-103.81.6000127
449Q31.6Very low30.2Very low142 Ų142135.4 Ų135.466%0.66474%0.736SS**  trans79.999.2142.5-71.5176.865.300125
450Q29.8Very low29.9Very low171 Ų171133 Ų13380%0.79974%0.739SS**  65.1117.2125.2-61.7-173.737.500122.9
451S29.6Very low30.2Very low123 Ų123131.2 Ų131.286%0.8674%0.74SS**  -157.8151.1129-81.40000111.3
452T26Very low30.1Very low137 Ų137131.6 Ų131.684%0.8475%0.747SS**  trans-132-175.3175.671.20000107.9
453P41.1Very low30.4Very low123 Ų123130.3 Ų130.380%0.79975%0.747SS**  cis-132.1-161.322.944.8-24.2000112.6
454A27.8Very low30.5Very low79 Ų79132.7 Ų132.765%0.65375%0.754SS**  cis-148.5132.3200000109.4
455S31.7Very low30.1Very low91 Ų91131.1 Ų131.164%0.63675%0.754SS**  71.5131.991.4106.90000115
456K28.1Very low29.6Very low192 Ų192132.4 Ų132.484%0.83576%0.755SS**  cis-149.5175.9-0.4-78.8124.8179.1168.10107
457S25.2Very low29.5Very low95 Ų95136.5 Ų136.566%0.66476%0.76SS**  cis-161.5144.520.8-152.80000113.1
458L28.1Very low29.3Very low142 Ų142135.6 Ų135.674%0.74376%0.76SS**  trans27.7143.4140.7-53.2173.5000120.9
459R25.8Very low29.2Very low223 Ų223140.5 Ų140.584%0.84277%0.769SS**  cis-156.4166.414-133.5168.6-157.7-157.25.2112.2
460S26.4Very low29.1Very low106 Ų106138.3 Ų138.374%0.74177%0.769SS**  trans-89.1-178.7177.268.30000112.1
461P37.9Very low29.5Very low108 Ų108136 Ų13670%0.70177%0.769SS**  -148.117561.742.3-22.7000117.5
462V29.2Very low29.4Very low141 Ų141134.1 Ų134.186%0.85576%0.761SS**  trans-91.6138.9152.5174.80000107.7
463P38.3Very low29.6Very low109 Ų109133.4 Ų133.471%0.70876%0.756SS**  -146.3170.3128.539.7-26000114.5
464Q28.1Very low29.3Very low184 Ų184133.5 Ų133.586%0.8676%0.757SS**  trans-78.8171.6158.2-65.4178.4-16.900111.5
465A25.8Very low29.2Very low87 Ų87134.9 Ų134.972%0.71976%0.757SS**  trans91.615914200000120.9
466I23.4Very low29Very low153 Ų153136.7 Ų136.779%0.78576%0.76SS**  trans7696.6163.2-53.3172000117.9
467K26.4Very low29Very low198 Ų198135.4 Ų135.486%0.86175%0.754SS**  52.7153.8109.8-139.1172.8-171.8175.10120.3
468V26.1Very low29.2Very low123 Ų123134.6 Ų134.675%0.74574%0.743SS**  trans100.385.1162.1-167.80000119.1
469R26.3Very low29.3Very low223 Ų223133.1 Ų133.184%0.84274%0.735SS**  50.9111.6108.9-169-178.2-172.8164.72.5122.6
470S31.2Very low29.5Very low96 Ų96127.9 Ų127.967%0.67172%0.724SS**  trans66.6151139.5-53.60000119.7
471P37.2Very low29.7Very low122 Ų122127.7 Ų127.779%0.79272%0.718SS**  -101.616568.1-9.229.5000114
472A27.9Very low29.3Very low84 Ų84128.9 Ų128.969%0.69472%0.718SS**  76.7115.45200000113
473V29.7Very low29.2Very low122 Ų122130.3 Ų130.374%0.73972%0.716SS**  cis81.5115.650174.60000111.7V475V473-V475 HydrophobicContact CG1-CG2 4.1Å
474P35.8Very low28.5Very low126 Ų126130 Ų13082%0.81871%0.712SS**  -118.6141.992.3-3.325.3000114.2
475V24.7Very low28.8Very low107 Ų107130.1 Ų130.165%0.64871%0.71SS**  80.194.171.1174.70000112.1V473V473-V475 HydrophobicContact CG1-CG2 4.1Å
476N27.1Very low29.3Very low130 Ų130131.5 Ų131.570%0.69571%0.711SS**  77135.199-65.6-5.3000113.9
477K28.7Very low29.8Very low164 Ų164132 Ų13271%0.71371%0.714SS**  -162.5157.870.5-91.3-175.9155-114.20114.8
478D28.1Very low29.7Very low79 Ų79131.8 Ų131.842%0.42271%0.713SS.*  26.9140.5126.8-24.9-24.4000117.4
479N31.8Very low30Very low110 Ų110131.3 Ų131.359%0.58872%0.715SS**  cis-173.7178.23.3-128.7-12.8000108.2
480L29.4Very low29.9Very low114 Ų114125.5 Ų125.560%0.59771%0.709SS**  cis-160.1174.3-3.9-175.453.3000108.3
481T30.3Very low29.6Very low101 Ų101128.5 Ų128.562%0.6272%0.716SS**  trans76152.8165.1750000119.1
482N29.8Very low29.1Very low133 Ų133130 Ų13071%0.71171%0.714SS**  -160.8150.3-55.4-131.1-17.4000112.6
483Q27.4Very low29.3Very low172 Ų172135 Ų13580%0.80472%0.721SS**  trans70.8153158.4-64.3-167.634.800121.9
484T23.9Very low29.7Very low102 Ų102134.9 Ų134.963%0.62672%0.722SS**  trans-135162.5178.7-49.30000106.4
485F33.6Very low29.1Very low187 Ų187133.6 Ų133.682%0.8272%0.716SS**  trans75.4161.4176.9-52.5-63000113
486P37.2Very low29.3Very low115 Ų115133.4 Ų133.475%0.74772%0.72SS**  cis-136.7167.721.943.6-26.4000119.2
487I33.5Very low29.3Very low163 Ų163134.7 Ų134.784%0.83673%0.725SS**  trans-80.9121.1145.5-61.4168000107.1
488K24.6Very low29.2Very low195 Ų195134.1 Ų134.185%0.84873%0.73SS**  trans-173.6143.9143-108.4162.9-174179.60113.9
489S31.3Very low29.3Very low112 Ų112136.4 Ų136.478%0.78375%0.747SS**  trans-79.3152.3163.252.20000112.1
490S25.1Very low29.4Very low101 Ų101136.8 Ų136.871%0.70676%0.755SS**  trans-165122.6154.8-165.50000114.7
491L24.8Very low29.2Very low159 Ų159137.1 Ų137.183%0.83276%0.762SS**  trans158.5116.9132.9-113.356.7000107.4
492M26.9Very low28.9Very low153 Ų153140.2 Ų140.275%0.75477%0.774SS**  cis83.595.744.2-69.6-68.2179.500115.9
493K31.5Very low28.6Very low191 Ų191138.7 Ų138.783%0.8377%0.773SS**  50.3162.6123.9-82.2-171.7173.3-1740121.5
494P38.6Very low28.6Very low118 Ų118136.8 Ų136.877%0.76677%0.769SS**  cis-95.5-144.32.243.5-38.8000111.4
495S23.6Very low28.8Very low99 Ų99139.6 Ų139.669%0.69277%0.774SS**  cis-153.9166-1047.80000107.6
496S27.8Very low28.5Very low103 Ų103136.4 Ų136.472%0.7277%0.77SS**  cis80.6101.3-879.50000122.1
497I26.8Very low28.1Very low158 Ų158136.9 Ų136.981%0.8177%0.771SS**  trans-166.2139.3143.2-104.2161.1000112.2
498N27.2Very low28.6Very low151 Ų151133.9 Ų133.981%0.80776%0.762SS**  trans53.7134.6161.1-633.1000125.2
499T29.9Very low28.8Very low127 Ų127130.5 Ų130.578%0.77976%0.758SS**  trans-92151.9151.947.50000111.2
500P35Very low28.7Very low119 Ų119133 Ų13377%0.77376%0.761SS**  -128.1162.1113.24.617.8000111.3
501V24.1Very low28.8Very low120 Ų120133.2 Ų133.273%0.72776%0.762SS**  cis97.7119.924.9175.70000114.5
502L23.9Very low29.1Very low167 Ų167131.6 Ų131.687%0.87476%0.759SS**  trans64.3157.9173.8-99.570.3000116.2
503S24.6Very low29.1Very low101 Ų101129.8 Ų129.871%0.70676%0.761SS**  cis-153.5172.46.552.20000113.1
504N26.8Very low29.2Very low131 Ų131127.5 Ų127.570%0.70176%0.756SS**  trans-55.3159.7170.1-35.7-49.9000113.6
505H27.5Very low29Very low161 Ų161128.8 Ų128.875%0.74575%0.752SS**  174.1129.5105.8-97.8-69.1000116.8
506T27Very low29.3Very low120 Ų120131 Ų13174%0.73675%0.751SS**  trans71.8142.8139.7-37.90000122.1
507T28.8Very low29.4Very low125 Ų125132.4 Ų132.477%0.76776%0.755SS**  trans-87.6-159.6175.150.20000110
508P44.3Very low29.4Very low100 Ų100128.4 Ų128.465%0.64975%0.753SS**  cis-150-160.114.745.5-22000118
509T28.9Very low29.6Very low124 Ų124126.9 Ų126.976%0.76175%0.754SS**  trans69.1137.9160.344.50000117.9
510I29.8Very low29.6Very low165 Ų165130 Ų13085%0.84676%0.757SS**  cis-143.1-179.67.314.6171.2000108.8
511S27.4Very low29.3Very low105 Ų105132.9 Ų132.973%0.73476%0.757SS**  cis-139.2-130.116.364.10000113.9
512T31.6Very low29.5Very low125 Ų125135 Ų13577%0.76776%0.763SS**  trans-164.3132.6-153.140.90000113.8
513C26.3Very low29.6Very low116 Ų116130.5 Ų130.578%0.78476%0.757SS**  trans176.899.7139.7-129.60000108.1
514I33Very low29.7Very low143 Ų143134 Ų13473%0.73376%0.76SS**  75.7131.682.5-71.8171.1000113.4
515Q33.9Very low29.7Very low144 Ų144134.5 Ų134.567%0.67376%0.762SS**  cis-172.9-175.4-19.4-161.3174.8-60.200109.3
516E30.8Very low29.7Very low145 Ų145130.4 Ų130.468%0.67876%0.764SS**  trans75133156.5-62.4-60.192.400117.7
517V28.8Very low29.7Very low134 Ų134132.3 Ų132.381%0.81277%0.77SS**  cis-147.4162.1-8.6-1630000108.2
518G28.1Very low29.7Very low74 Ų74133.1 Ų133.176%0.76377%0.774SS**  trans155.246.4155.500000120.3K520G518-K520 PolarHBondContact O-N 3.4Å
519S31.3Very low29Very low118 Ų118135.2 Ų135.283%0.82578%0.779SS**  trans-67.7123.4-173.6-73.40000117.2
520K30.4Very low29.3Very low194 Ų194135.5 Ų135.584%0.84377%0.772SS**  trans57.8147.7132.9-95173.9178165.90122.8G518G518-K520 PolarHBondContact O-N 3.4Å
521K28.7Very low29.8Very low178 Ų178133.2 Ų133.277%0.77477%0.768SS**  trans93.7139.5135.7-104.8-175.2173.6-1720120.5
522I27.4Very low29.8Very low164 Ų164134.8 Ų134.884%0.84176%0.763SS**  trans71.8144.6155.5-59.7158.1000115.7
523G26.3Very low29.6Very low74 Ų74134.8 Ų134.876%0.76377%0.768SS**  trans158.8126.2169.500000112.4
524K27.6Very low29.6Very low174 Ų174137.7 Ų137.776%0.75777%0.768SS**  trans-144.8139.5179.5-148.4-175.1169.5-82.20105.9
525D26.3Very low29.9Very low141 Ų141136.8 Ų136.875%0.75477%0.771SS**  trans58.3156.4162.4-47.6-35.3000118.3
526G27.3Very low29.5Very low76 Ų76134.5 Ų134.578%0.78477%0.767SS**  trans125.4104.3162.200000117.2
527D26.8Very low29.3Very low160 Ų160135 Ų13586%0.85677%0.773SS**  trans-67.8146.7173.7-51.9-87.1000114.1
528V29.4Very low29.2Very low141 Ų141133.6 Ų133.686%0.85577%0.769SS**  trans-139.1135.5148.1-1780000110.4
529L29.9Very low29.1Very low144 Ų144133.8 Ų133.875%0.75476%0.759SS**  trans-66.1157.5-170.1-56.765.4000116.5
530E33.7Very low28.7Very low130 Ų130134 Ų13461%0.60775%0.754SS**  53.5158.6129.9-75.9-93151.700120.7Q532E530-Q532 PolarHBondContact OE1-NE2 3.37Å; E530-Q532 PolarHBondContact OE2-N 3.24Å; E530-Q532 VanDerWaalsContact OE2-N 3.1Å; E530-Q532 PolarHBondContact OE2-NE2 2.77Å
531P41.5Very low28.5Very low118 Ų118133.3 Ų133.377%0.76675%0.752SS**  cis-130.216723.541.4-24.4000120
532Q27.1Very low28.3Very low138 Ų138129 Ų12965%0.64574%0.744SS**  trans-60154.5170.8-65.3155.842.800114.2E530E530-Q532 PolarHBondContact OE1-NE2 3.37Å; E530-Q532 PolarHBondContact OE2-N 3.24Å; E530-Q532 VanDerWaalsContact OE2-N 3.1Å; E530-Q532 PolarHBondContact OE2-NE2 2.77Å
533S27Very low28.2Very low124 Ų124128.9 Ų128.987%0.86774%0.744SS**  trans-157.880.3153.8-65.90000111.4
534F27.3Very low28.2Very low177 Ų177130.2 Ų130.278%0.77674%0.742SS**  trans-81.8150153.9-75.8-60.3000108.5V536F534-V536 HydrophobicContact CB-CG2 3.85Å; F534-V536 HydrophobicContact CD1-CG2 3.28Å; F534-V536 HydrophobicContact CE1-CG2 3.95Å; F534-V536 HydrophobicContact CG-CG2 3.77Å
535P38.2Very low28.2Very low124 Ų124130 Ų13081%0.80574%0.743SS**  -136.9154.371.837.5-20.8000113
536V26.3Very low28.6Very low96 Ų96130.9 Ų130.958%0.58274%0.743SS**  cis75.7138.717-158.90000115.2F534F534-V536 HydrophobicContact CB-CG2 3.85Å; F534-V536 HydrophobicContact CD1-CG2 3.28Å; F534-V536 HydrophobicContact CE1-CG2 3.95Å; F534-V536 HydrophobicContact CG-CG2 3.77Å
537I26.3Very low29.3Very low157 Ų157132.5 Ų132.581%0.80574%0.74SS**  trans62.2150.2-176.4-9.3175.7000111.3
538S25.8Very low29.5Very low103 Ų103132.8 Ų132.872%0.7274%0.736SS**  cis-160.5169.819.768.60000111.3
539S25.9Very low29.6Very low79 Ų79133 Ų13355%0.55273%0.728SS**  cis-176.6141.8-28.354.90000111.5
540V24.3Very low29.8Very low121 Ų121130.9 Ų130.973%0.73373%0.725SS**  trans65.4172.1134178.30000118.3
541F24.7Very low29.6Very low180 Ų180132.7 Ų132.779%0.78973%0.733SS**  trans81.6131.4175.8-58.7-80.4000117.6
542S25.5Very low29.2Very low87 Ų87130.2 Ų130.261%0.60873%0.729SS**  cis-163149.1-25.3-125.90000112.9
543L25.7Very low29.7Very low163 Ų163130.3 Ų130.385%0.85374%0.742SS**  trans21.2169.2130.7-59.2174.2000122.9
544S26.3Very low29.8Very low101 Ų101132 Ų13271%0.70674%0.739SS**  trans71137.2-164.9-89.80000114.2
545E28Very low29.9Very low169 Ų169132.5 Ų132.579%0.7974%0.744SS**  cis-150.21517.5-143.3140.8-99.800112.5
546Q33Very low29.8Very low161 Ų161131.7 Ų131.775%0.75274%0.739SS**  trans-124.3143.8161.1-85.9-101.6-27.500106.4
547P42Very low29.8Very low110 Ų110135.8 Ų135.871%0.71476%0.757SS**  -110.7143.295.9-11.830.5000112.6
548E32.2Very low29.8Very low165 Ų165134 Ų13477%0.77175%0.753SS**  47.9123.986.8-54.3-167.1157.500114.4
549E30.6Very low30Very low147 Ų147137.3 Ų137.369%0.68776%0.759SS**  cis-148.2-176.34.9-129.4-115.5122.200107.4Q551E549-Q551 VanDerWaalsContact OE1-CG 3.23Å; E549-Q551 WeakPolarHBondContact OE1-CG 3.22Å; E549-Q551 PolarHBondContact OE1-N 3.2Å
550S33.9Very low30.1Very low99 Ų99138 Ų13869%0.69277%0.769SS**  cis-150.7161.521.664.10000118.8
551Q30.9Very low30.2Very low168 Ų168140.3 Ų140.379%0.78578%0.777SS**  trans15.9119.3153.7-54.2-171.48.200120.3E549E549-Q551 VanDerWaalsContact OE1-CG 3.23Å; E549-Q551 WeakPolarHBondContact OE1-CG 3.22Å; E549-Q551 PolarHBondContact OE1-N 3.2Å
552G33Very low30.3Very low66 Ų66143.6 Ų143.668%0.6878%0.784SS**  trans155.5119.6160.100000113
553P36.3Very low30.2Very low139 Ų139143 Ų14390%0.90379%0.791SS**  trans-78.7151.9-171.331.1-35.4000114.2
554I28.8Very low30.3Very low160 Ų160143.6 Ų143.682%0.82179%0.793SS**  trans-113.4135.7175.2-62.8171.5000108.9
555E31.1Very low30.2Very low188 Ų188144.5 Ų144.588%0.87980%0.795SS**  trans-127.5124.4167.1-164172.9-130.200110.2
556P35.3Very low30Very low106 Ų106145.2 Ų145.269%0.68880%0.8SS**  trans-94.6111.1-170.633.9-32.9000113.5V558P556-V558 PolarHBondContact O-N 2.81Å
557L26.9Very low29.7Very low183 Ų183146.2 Ų146.296%0.95881%0.805SS**  trans-79.2119176.3-157.680.3000112.2
558V26.7Very low29Very low120 Ų120149.3 Ų149.373%0.72781%0.807SS**  trans-132.8155.1-177.2164.70000110.9P556P556-V558 PolarHBondContact O-N 2.81Å
559M29.3Very low28.8Very low171 Ų171151.2 Ų151.284%0.84281%0.813SS**  trans79.598.6168.8-86.3175.366.300120.8
560A28.6Very low28.6Very low94 Ų94152.5 Ų152.578%0.77782%0.819SS**  91142.8106.100000121.5
561L26Very low28.2Very low170 Ų170153.3 Ų153.389%0.8982%0.824SS**  trans-82.1141.5176.9-64.1156.2000111.7
562R25.8Very low28Very low249 Ų249152.2 Ų152.294%0.9483%0.829SS**  trans-139.3143.4151.5-72.8-164.6174.4-161.2-1.3110.5
563G24.1Very low27.7Very low74 Ų74154.3 Ų154.376%0.76383%0.833SS**PPolyproline II helixtrans-84.5164.2179.200000113.2
564I26.9Very low27.2Very low175 Ų175156.3 Ų156.390%0.89783%0.831SS**PPolyproline II helixtrans-102.7124.8178.9-62.8176.4000109.9
565V24.9Very low27.1Very low121 Ų121154.9 Ų154.973%0.73383%0.825SS**PPolyproline II helixtrans-98143.6173.3173.90000109.8H567V565-H567 PolarHBondContact O-N 2.78Å
566M23.7Very low27.2Very low184 Ų184153.8 Ų153.891%0.90682%0.82SS**PPolyproline II helixtrans-71.5118.2179-70.6-101.1-75.600111.8
567H27.1Very low26.9Very low182 Ų182155.8 Ų155.884%0.84382%0.823SS**  trans-85115.3173.5-93.2-86.8000112.6V565V565-H567 PolarHBondContact O-N 2.78Å
568K27.6Very low27.1Very low175 Ų175157.5 Ų157.576%0.76182%0.817SS**  trans-81.7118.5166.8-177.9-177-180-173.80109.3
569K26.6Very low27.1Very low205 Ų205157.7 Ų157.789%0.89181%0.814SS**  trans-82130.9170.2-70.1-173.2177-176.30110.3
570Q28Very low27Very low174 Ų174151.9 Ų151.981%0.81380%0.797SS**  trans-117.7148.8153.7-84179.2-85.100108.1
571S25.7Very low27.1Very low116 Ų116153.7 Ų153.781%0.81180%0.799SS**  trans-116.6125.1-174.752.10000110.7
572T25.2Very low27.4Very low144 Ų144152.4 Ų152.488%0.88379%0.793SS**  trans-137.4123163.544.70000108.8
573S26.6Very low27.6Very low111 Ų111146.8 Ų146.878%0.77678%0.777SS**  trans-70.9153.6167.948.80000111.4
574Q27.1Very low27.8Very low180 Ų180150.4 Ų150.484%0.84177%0.772SS**  -173.7159.8108.2-164.8153.24.200111.2
575D26.5Very low27.9Very low131 Ų131149.4 Ų149.470%0.70177%0.768SS**  trans-87.6161.7-168.7-38.4-98.9000115.3
576Q31.9Very low28Very low165 Ų165153.3 Ų153.377%0.77178%0.775SS**  -174.7127.5119.1-991629700112.1
577I30.3Very low28.4Very low147 Ų147148.7 Ų148.775%0.75477%0.766SS**  70.6131.693.6-65.8-173.9000113.8
578R30.2Very low29.2Very low220 Ų220145.7 Ų145.783%0.8376%0.762SS**  cis-116.8-120.98.7-149.9168.956.1-162.7-3.1112.4
579N27.7Very low29.4Very low124 Ų124141.6 Ų141.666%0.66376%0.761SS**  cis-159.4150.4-1.9-168.263.8000112.4
580G27.6Very low29.6Very low48 Ų48138 Ų13850%0.49576%0.762SS.*  trans87.9122.316900000115.1
581T30.6Very low29.6Very low132 Ų132133 Ų13381%0.8176%0.757SS**  66.5122.360.366.30000113.3
582D30.7Very low29.9Very low143 Ų143138.6 Ų138.677%0.76576%0.76SS**  cis-163.6-166.7-0-138-55.3000111.9
583E31.1Very low29.9Very low132 Ų132137.3 Ų137.362%0.61775%0.747SS**  trans79.6106.3152.1-80.3-91.485.600121.7
584K28.1Very low30Very low149 Ų149139.5 Ų139.565%0.64875%0.748SS**  96.9109.4113.3-138.1-176.5-143.182.90122.6
585L28.5Very low30.2Very low155 Ų155138.1 Ų138.181%0.81274%0.742SS**  trans21.9128.9146.1-68.582.3000121.3
586K27.6Very low30.3Very low203 Ų203140.7 Ų140.788%0.88375%0.75SS**  -169.5145.794.9-108.8-179.2-179.81780116.3
587A31.3Very low30.1Very low86 Ų86136.4 Ų136.471%0.71174%0.743SS**  trans-136.8-174.1156.100000105.8
588P44.5Very low30.1Very low119 Ų119136.7 Ų136.777%0.77374%0.741SS**  cis-146.2177.65.245.4-26.8000117.9
589A31.6Very low30.2Very low90 Ų90133.2 Ų133.274%0.74473%0.732SS**  trans71.3160.3134.600000125.7
590S31.2Very low30.3Very low129 Ų129134.4 Ų134.490%0.90274%0.738SS**  trans86.7139.516775.20000118
591G28.6Very low30.5Very low68 Ų68135.5 Ų135.570%0.70175%0.749SS**  cis-129.2159.7-7.900000111.5
592R30.1Very low30.3Very low235 Ų235133.9 Ų133.989%0.88775%0.75SS**  64.1135.864.6-82.5-151.4172.8-158.30.4114.2
593L26.1Very low30.2Very low116 Ų116136.4 Ų136.461%0.60775%0.754SS**  cis-165-161.6-13.4-158.5102.6000109.4
594I29.1Very low30.3Very low157 Ų157136.1 Ų136.181%0.80576%0.762SS**  trans76.399.9179.4-48.3174000112.5
595Q31.2Very low30.2Very low151 Ų151134.6 Ų134.671%0.70677%0.768SS**  cis86102.716.4-160.9-170.1-2.300116.9
596Q27.6Very low30.1Very low185 Ų185133.7 Ų133.786%0.86477%0.765SS**  trans152.5151.1138.8-85.6-176.2-200109.5
597A28.3Very low30Very low76 Ų76129.2 Ų129.263%0.62875%0.754SS**  cis-166.2167.5-28.200000109
598E29.6Very low29.8Very low153 Ų153131.6 Ų131.672%0.71575%0.754SS**  trans73.6141160.7-44.3-136.4146.700118.2
599K33.1Very low29Very low147 Ų147133 Ų13364%0.63975%0.754SS**  cis-161.3165.8-18.5-119.6172.4-164.8149.70110.6
600N30.6Very low28.7Very low148 Ų148134.4 Ų134.479%0.79175%0.754SS**  trans60.176.7152.5-57.2-6.1000118.9
601G30.5Very low28.5Very low71 Ų71137.2 Ų137.273%0.73275%0.753SS**  trans-86.5120.813900000109.2F603G601-F603 PolarHBondContact O-N 3.46Å
602A27.6Very low28.3Very low99 Ų99142.9 Ų142.982%0.81876%0.758SS**  trans-73.4114.417100000108.7
603F27.6Very low28.1Very low196 Ų196136.4 Ų136.486%0.8675%0.748SS**  65.296.180-87.7-81.4000114.8G601G601-F603 PolarHBondContact O-N 3.46Å
604T34.5Very low28Very low125 Ų125137 Ų13777%0.76776%0.757SS**  trans-55.8143.9156.548.60000112.7
605C25.8Very low27.7Very low117 Ų117138.3 Ų138.379%0.79176%0.76SS**  trans-179150.4158.6-102.20000107.6
606D25.8Very low27.7Very low137 Ų137136.4 Ų136.473%0.73376%0.762SS**  cis-167.9-172.9-6.2-144.3-29.3000112.3
607V26Very low27.5Very low108 Ų108132.7 Ų132.766%0.65575%0.752SS**  trans8097.4141.2161.70000120.2
608L25.9Very low27.3Very low137 Ų137138.2 Ų138.272%0.71776%0.761SS**  47.8123.3118.7-57.4173.5000122.8
609L27.3Very low27.1Very low149 Ų149137.8 Ų137.878%0.7877%0.769SS**  78.5165.1126-69.3173.7000122.6
610T25.9Very low26.8Very low119 Ų119139.2 Ų139.273%0.7378%0.775SS**  trans84.9121161.8420000122.1
611E27.1Very low26.7Very low188 Ų188139.6 Ų139.688%0.87977%0.77SS**  trans90.8163.1134.7-76.8-176.8-16700123.1
612K25.4Very low26.7Very low187 Ų187142.6 Ų142.681%0.81377%0.765SS**  trans-129147.1-161.6-60.7174.8178.5175.10110.5
613S25.3Very low26.6Very low98 Ų98143.4 Ų143.469%0.68576%0.759SS**  trans63160.9141.863.50000119.6
614T24.9Very low26.4Very low129 Ų129140 Ų14079%0.79175%0.75SS**  trans64.5150.516962.30000117.1
615E22.8Very low26.1Very low184 Ų184140.5 Ų140.586%0.8675%0.748SS**  cis-151.7164.4-34-170.6157.9-161.800108.5
616C30.3Very low26.1Very low112 Ų112142.7 Ų142.776%0.75775%0.746SS**  trans-73.1161-180-172.90000112.6
617V22.7Very low27Very low107 Ų107140.7 Ų140.765%0.64874%0.74SS**  trans160138130.9156.10000114.2
618K23.9Very low27.4Very low191 Ų191141.2 Ų141.283%0.8375%0.746SS**  trans69.5156.4169.1-75.9156.7-160.8165.20115.2
619V25.8Very low27.3Very low144 Ų144138.5 Ų138.587%0.87374%0.744SS**  cis-116.1173.923.6176.90000113.1
620K26.3Very low27.2Very low178 Ų178138.9 Ų138.977%0.77475%0.745SS**  trans-150159.2-173.2-161.1-175.9-175.5177.70109.7
621K29.6Very low27.3Very low155 Ų155138.8 Ų138.867%0.67475%0.745SS**  trans72.4154.4167-75.1-166168.7-86.70116.3
622E29.7Very low27.3Very low134 Ų134137.4 Ų137.463%0.62674%0.739SS**  cis-172.6-168.2-22.3-117.2166.5-143.700107.4
623V26.2Very low27.3Very low116 Ų116133.6 Ų133.670%0.70373%0.727SS**  cis-118.2-94.49.1-172.70000112
624N24.2Very low27.4Very low126 Ų126134.5 Ų134.567%0.67472%0.724SS**  cis-158.597.9-6.5-171.796.3000114
625L26.7Very low27.4Very low135 Ų135134.9 Ų134.971%0.70772%0.72SS**  trans58.7151.7148.5-58.3174.4000121.2
626Q27.1Very low27.5Very low162 Ų162134 Ų13476%0.75772%0.715SS**  cis-164.7-154.8-27.8-152.4-168.6-4.700109.6
627P43.5Very low27.1Very low95 Ų95135.1 Ų135.162%0.61771%0.713SS**  -105.6-171.9-124.544.9-28.5000115
628P34.8Very low27.2Very low120 Ų120138.5 Ų138.578%0.77972%0.719SS**  -117.4152.876-2.325.1000113.7
629A24.5Very low27.2Very low80 Ų80136.9 Ų136.966%0.66171%0.712SS**  67125.774.300000113.4
630L25.1Very low27.1Very low156 Ų156136.4 Ų136.482%0.81770%0.7SS**  cis67.7135.937.3-52.8177.9000112.3
631T27.3Very low27.1Very low117 Ų117135.2 Ų135.272%0.71870%0.697SS**  cis-162.1-169.48-1.20000111.9
632Q26.6Very low26.9Very low160 Ų160134.9 Ų134.975%0.74870%0.703SS**  trans100.4141.9153.4-56.3-161-97.800117
633N27Very low26.7Very low106 Ų106132.2 Ų132.257%0.56771%0.711SS**  cis-154.6167.21.5-121.818.1000114.3
634D26.6Very low26.7Very low117 Ų117131.1 Ų131.163%0.62671%0.714SS**  trans48.2141.2145.2-53.8-25.9000122
635I24.8Very low26.8Very low138 Ų138135.7 Ų135.771%0.70872%0.722SS**  cis103.1134.627.2-69.8171.1000114.2
636H23.9Very low26.8Very low164 Ų164135.9 Ų135.976%0.75972%0.722SS**  trans92.9127.9161.4-83.7-41.4000124.2
637I23.5Very low26.8Very low137 Ų137131.4 Ų131.470%0.70372%0.72SS**  trans70.5102.6138.1-63.4167.1000118.1
638K23.1Very low26Very low178 Ų178134 Ų13477%0.77473%0.728SS**  76.2119.970.7-173.8-169.5-176.3-175.40114.9
639K24.9Very low25.8Very low157 Ų157131.4 Ų131.468%0.68372%0.717SS**  trans70.2152163-91.8-169.7169.9-131.40116.5
640E24.2Very low26.1Very low134 Ų134134.4 Ų134.463%0.62672%0.722SS**  cis-162.2-177.1-11.7-153.4156.1-142.400111.2
641E26.5Very low26.3Very low152 Ų152135 Ų13571%0.7172%0.718SS**  trans71113153.6-68-148.489.400123.5
642N25.3Very low26.1Very low149 Ų149134.6 Ų134.680%0.79772%0.719SS**  61.5128.8117.2-64.2-30.3000124.3
643G24.8Very low26.2Very low77 Ų77131 Ų13179%0.79471%0.712SS**  trans107.8158.3152.800000116.1
644A25.9Very low26.2Very low94 Ų94134.6 Ų134.678%0.77772%0.724SS**  cis-166.5143.4-30.200000109.8
645R26.8Very low26.4Very low221 Ų221133 Ų13383%0.83472%0.722SS**  trans43.6125.8147.2-75.3-177.8171.8-128.71122.6
646I26.5Very low27.3Very low139 Ų139132.2 Ų132.271%0.71373%0.726SS**  77.3129.4127.1-62.9169.8000119.8
647G27.4Very low27.4Very low68 Ų68129.9 Ų129.970%0.70172%0.719SS**  trans110.1148.1137.700000117.3
648D26.8Very low27.6Very low150 Ų150131.3 Ų131.380%0.80273%0.728SS**  cis-163.7169.2-26-139.2-45000111.4
649A30.8Very low27.9Very low65 Ų65128.4 Ų128.454%0.53773%0.725SS.*  trans62.2132.8143.600000123.1
650N31.1Very low29Very low144 Ų144126.3 Ų126.377%0.7773%0.727SS**  trans73.5149.2135.2-71-20.6000119.6
651K28.1Very low29Very low167 Ų167125.4 Ų125.473%0.72674%0.736SS**  cis-164.1149.6-8.7-130.8-176.8179.1179.90110.8
652C24.3Very low29.1Very low110 Ų110122.3 Ų122.374%0.74374%0.736SS**  trans58.5165.4139.9-79.60000119.7
653S26.9Very low29.1Very low85 Ų85120.5 Ų120.559%0.59473%0.734SS**  cis-171.2170.7-11.439.30000111.7
654H28.5Very low29.1Very low180 Ų180124.3 Ų124.383%0.83373%0.731SS**  trans92.1123.1155.1-63-58.6000121.1
655S29.5Very low29Very low83 Ų83126.5 Ų126.558%0.5873%0.73SS**  trans-76.4177.8152.951.80000110.9
656P44.5Very low29.2Very low122 Ų122121.8 Ų121.879%0.79273%0.731SS**  -117.1150.680.9-3.425.1000112.1
657D25.1Very low29.1Very low115 Ų115124.4 Ų124.462%0.61574%0.737SS**  70.9116.154.2-89.7-56.6000115.7
658L29.2Very low29.8Very low168 Ų168126.9 Ų126.988%0.8874%0.741SS**  -166.1163.6103.9-96.6172.6000111.2
659T29.4Very low29.7Very low116 Ų116124.1 Ų124.171%0.71274%0.739SS**  trans-122.9-136.2-155.944.90000115
660P46.6Very low29.5Very low113 Ų113126.3 Ų126.373%0.73475%0.75SS**  -131.5173.8-108.441.5-24.2000117.3
661S26Very low30Very low116 Ų116124.5 Ų124.581%0.81175%0.746SS**  trans-169.7135.8142.229.30000108.7
662A28.1Very low29.9Very low87 Ų87122.2 Ų122.272%0.71975%0.746SS**  cis101.9149.523.300000113.8
663C24.5Very low30Very low111 Ų111123.4 Ų123.475%0.7574%0.74SS**  trans71.9145.3172.8-60.10000116.9
664E25.8Very low30Very low156 Ų156127.6 Ų127.673%0.72975%0.748SS**  cis-154.4172.5-11.5-113.4-38.297.600111.2
665D24Very low29.9Very low141 Ų141122.5 Ų122.575%0.75474%0.737SS**  trans-63.3162.9-177-97-40.1000117.4
666S29.2Very low29.7Very low122 Ų122125.8 Ų125.885%0.85375%0.749SS**  -178.1127.7126-81.70000114.7
667K26.5Very low28.7Very low194 Ų194125.7 Ų125.784%0.84375%0.745SS**  trans-95.8161.2162.8-124.8177.9-179.2175.60109.1
668P40.1Very low28.7Very low119 Ų119126.6 Ų126.677%0.77376%0.755SS**  -125.2-139.462.124.5-0.1000110.8
669A25.3Very low28.4Very low92 Ų92124.6 Ų124.676%0.7675%0.745SS**  cis-157.2179.76.700000112.8
670S26.7Very low28.2Very low112 Ų112127.6 Ų127.678%0.78375%0.748SS**  trans-161.3-176.5179.164.20000107.6
671P41.1Very low27.1Very low105 Ų105128 Ų12868%0.68275%0.748SS**  cis-146-162.213.345.1-24.1000116.4
672V27.7Very low27.2Very low119 Ų119130.9 Ų130.972%0.72175%0.749SS**  trans71.9130.9152.4165.10000117.1
673E26.3Very low27.4Very low135 Ų135132.9 Ų132.963%0.63175%0.754SS**  cis-154.5167.7-6.3-121.7-178.8159.800115.6
674K26.8Very low27.4Very low173 Ų173131.5 Ų131.575%0.75275%0.751SS**  trans-4.9158.1147.9-65.6164.4-164.7158.80120.1
675A26.4Very low27.4Very low74 Ų74130.1 Ų130.161%0.61275%0.753SS**  cis-175.9170-16.900000110.9
676N25Very low27.5Very low152 Ų152130.5 Ų130.581%0.81376%0.76SS**  trans72.5159.3155.2-63.2-16.1000120.2
677V24.1Very low27.2Very low119 Ų119128.2 Ų128.272%0.72176%0.756SS**  cis173.6143.7-49.4139.70000109.5
678V24.6Very low27.3Very low135 Ų135129.7 Ų129.782%0.81876%0.763SS**  trans69.1157.9163.9147.90000117.6
679D22.8Very low26.6Very low125 Ų125127.7 Ų127.767%0.66876%0.764SS**  cis-177.8177.4-39.2-152.8-21.5000108.5
680K23.9Very low27Very low180 Ų180133.9 Ų133.978%0.78377%0.774SS**  trans73.3134.3169.3-61.1172.8-178.5174.10115.9
681V23.6Very low26.9Very low121 Ų121133.2 Ų133.273%0.73378%0.775SS**  cis85.4101.529.5-176.60000114.6
682Q28.2Very low26.1Very low176 Ų176135.4 Ų135.482%0.82278%0.781SS**  trans41.9150.1142.2-57.8-174.11.200121.5
683P32.6Very low26.7Very low129 Ų129139.2 Ų139.284%0.83879%0.791SS**  -139.917710338.4-26.5000115.3
684A24.7Very low26.7Very low83 Ų83137.5 Ų137.569%0.68679%0.794SS**  trans-85.2-179.5175.500000112
685T25.8Very low26.8Very low126 Ų126133.5 Ų133.577%0.77379%0.788SS**  -16514664.944.60000116
686V26.3Very low26.9Very low149 Ų149141.1 Ų141.190%0.90380%0.8SS**  trans48.9121.2139.1-175.10000121
687G22.9Very low26.9Very low74 Ų74138.3 Ų138.376%0.76378%0.781SS**  trans-165.9141.2158.300000111.7
688K29.5Very low27Very low225 Ų225136 Ų13698%0.97877%0.765SS**  trans-85.7142.6-177.2-79.2-179.3178173.60112.7
689G24.5Very low27.1Very low78 Ų78133.8 Ų133.880%0.80475%0.752SS**  trans-162.8128.3159.700000111.6
690K33.2Very low27.2Very low221 Ų221130.5 Ų130.596%0.96173%0.733SS**  trans-89.3131.4161.4-88.1-170.6172.5-172.20107.5
691A26Very low27.2Very low98 Ų98124.1 Ų124.181%0.8171%0.711SS**  trans-150.5160.417000000109.8
692D24.2Very low27.3Very low151 Ų151123.8 Ų123.881%0.80771%0.705SS**  trans-62.8160.5-154.7-62.8-73.1000119.5S694D692-S694 VanDerWaalsContact C-N 3.27Å; D692-S694 PolarHBondContact O-N 2.83Å
693E38.8Very low27Very low199 Ų199124.1 Ų124.193%0.9370%0.703SS**  trans-60.581.1157.9-66.9-175.996.500111.9S695E693-S695 PolarHBondContact O-N 3.44Å
694S27.1Very low26.6Very low100 Ų100127 Ų12770%0.69970%0.697SS**  trans-83.2106.5167.945.20000110.6D692 R696D692-S694 VanDerWaalsContact C-N 3.27Å; D692-S694 PolarHBondContact O-N 2.83Å; S694-R696 PolarHBondContact O-N 2.86Å; S694-R696 VanDerWaalsContact O-N 3.12Å
695S29.3Very low26.6Very low88 Ų88129.1 Ų129.162%0.61570%0.702SS**  trans-61.9112.3178.7-75.10000111.6E693 F697E693-S695 PolarHBondContact O-N 3.44Å; S695-F697 PolarHBondContact O-N 2.74Å
696R27.4Very low26.5Very low234 Ų234131.9 Ų131.988%0.88371%0.706SS**  trans-74.669.6179.2-73.9-178.5-83.1166.3-5.9112.2S694S694-R696 PolarHBondContact O-N 2.86Å; S694-R696 VanDerWaalsContact O-N 3.12Å
697F25.4Very low26.6Very low94 Ų94130.8 Ų130.841%0.41270%0.699SS.*  trans-72.9136.5168.5-65.3-66.6000110.7K230 S695K230-F697 HydrophobicContact CD-CD1 4.46Å; K230-F697 HydrophobicContact CD-CE1 4.39Å; K230-F697 VanDerWaalsContact CE-CE1 3.48Å; K230-F697 HydrophobicContact CG-CD1 3.84Å; K230-F697 HydrophobicContact CG-CE1 4.13Å; K230-F697 HydrophobicContact CG-CG 4.47Å; S695-F697 PolarHBondContact O-N 2.74Å
698L26.4Very low26.7Very low70 Ų70130.1 Ų130.137%0.36669%0.693SS.*EExtended strand (participates in β ladder)trans-106122.8170.7-95.2154.9000109V207V207-L698 HydrophobicContact CG1-CD1 3.75Å; V207-L698 HydrophobicContact CG2-CD2 4.42Å
699T25.5Very low26.7Very low89 Ų89127.5 Ų127.555%0.54669%0.688SS.*EExtended strand (participates in β ladder)trans-103.7124.1178.3-53.70000109.6
700I26.5Very low26.8Very low55 Ų55135 Ų13528%0.28269%0.692SS.*EExtended strand (participates in β ladder)trans-122.8133.1175.8-53.9174.9000107.9V207V207-I700 HydrophobicContact CG2-CD1 4.18Å
701S23.7Very low26.7Very low46 Ų46134 Ų13432%0.32269%0.688SS.*EExtended strand (participates in β ladder)trans-121.8132-177.553.60000111.6L203L203-S701 WeakPolarHBondContact CD1-O 3.37Å
702L25.1Very low27Very low114 Ų114139.6 Ų139.660%0.59769%0.694SS**EExtended strand (participates in β ladder)trans-113.9122.5-174.6-65.6172.4000111.4T226T226-L702 WeakPolarHBondContact CG2-O 3.47Å
703K22.9Very low27.3Very low183 Ų183136.9 Ų136.980%0.79669%0.686SS**PPolyproline II helixtrans-97.8143.7174.1-77.4-178.81771740111.8T226T226-K703 HydrophobicContact CG2-CG 3.74Å
704R23.7Very low27.3Very low189 Ų189137.2 Ų137.271%0.71369%0.685SS**PPolyproline II helixtrans-86.4127.5173.1178-175.8-77.1163-6.1109.9H764R704-H764 PolarHBondContact NH2-CE1 2.94Å; R704-H764 VanDerWaalsContact NH2-CE1 3.28Å; R704-H764 PolarHBondContact NH2-NE2 3.41Å
705V24.1Very low27.6Very low129 Ų129141.8 Ų141.878%0.78269%0.692SS**PPolyproline II helixtrans-95.3137.9167-179.10000108.9
706Q25Very low27.6Very low183 Ų183142.5 Ų142.586%0.85570%0.703SS**  trans-109.6118.3-179.4-175.9171.4-6.300109.9
707V28.1Very low27.6Very low126 Ų126140.2 Ų140.276%0.76470%0.7SS**PPolyproline II helixtrans-95.3138.8178.1-176.80000109.8
708G25.1Very low27.6Very low61 Ų61145 Ų14563%0.62972%0.721SS**PPolyproline II helixtrans-74.1167.8-168.400000116.5
709I27.7Very low27.5Very low170 Ų170147.2 Ų147.287%0.87274%0.737SS**PPolyproline II helixtrans-70.8126.9-174.5-57.8168.3000111.3
710W27.8Very low27.3Very low234 Ų234154.1 Ų154.189%0.88675%0.753SS**PPolyproline II helixtrans-90.3121172.8-73.57.8000111.9
711K30.4Very low27.3Very low202 Ų202158.3 Ų158.388%0.87877%0.774SS**PPolyproline II helixtrans-86.7131.4167.4-71.3-175.9176.8-179.60110.1
712K32.1Very low27.3Very low215 Ų215160.5 Ų160.594%0.93579%0.79SS**PPolyproline II helixtrans-81.7137.4173.6-65-180179.8178.70110.5
713S31.4Very low27.9Very low93 Ų93166.1 Ų166.165%0.6580%0.803SS**  trans-125.8145.6163.8640000110.4K715S713-K715 PolarHBondContact O-N 3.3Å
714K39.3Very low28Very low207 Ų207164.2 Ų164.290%0.980%0.802SS**  trans-93.288.8-177.5-69.6-178.2179.4178.50111.1
715K32.6Very low28.4Very low195 Ų195164.7 Ų164.785%0.84881%0.809SS**SBendtrans-167.4159.2155.8-102.7145.9-172.4-178.60110.1S713S713-K715 PolarHBondContact O-N 3.3Å
716A29.8Very low28.6Very low103 Ų103170.2 Ų170.285%0.85182%0.816SS**  trans-73.4134.6-161.900000114.5K718A716-K718 PolarHBondContact O-N 3.11Å
717F27.3Very low28.9Very low186 Ų186170.4 Ų170.482%0.81682%0.817SS**  trans-85.497.3174.4-85.2-90.8000111.8V719F717-V719 PolarHBondContact O-N 3.32Å
718K24.1Very low29Very low194 Ų194172.1 Ų172.184%0.84382%0.821SS**  trans-84.5100.2168.4-174.8173.6-176.1172.20109.5A716 R720A716-K718 PolarHBondContact O-N 3.11Å; K718-R720 PolarHBondContact O-N 3.01Å
719V24.3Very low29Very low117 Ų117175 Ų17571%0.70983%0.828SS**  trans-68.1111.6-179.9176.50000110.7F717 I721F717-V719 PolarHBondContact O-N 3.32Å; V719-I721 HydrophobicContact CG1-CD1 4.31Å; V719-I721 HydrophobicContact CG1-CG1 3.8Å
720R22Very low29.6Very low234 Ų234172.4 Ų172.488%0.88383%0.832SS**  trans-103.1122.8155.7-89-178.1167.2166.9-4.9107.5K718K718-R720 PolarHBondContact O-N 3.01Å
721I26.2Very low29.7Very low143 Ų143164.6 Ų164.673%0.73382%0.824SS**  trans-97107.9168.4-60.8171.1000106.8V719V719-I721 HydrophobicContact CG1-CD1 4.31Å; V719-I721 HydrophobicContact CG1-CG1 3.8Å
722S25.2Very low29.6Very low93 Ų93159.9 Ų159.965%0.6582%0.817SS**  trans-71.3129.7165.344.10000109.1D724S722-D724 PolarHBondContact O-N 2.79Å
723R35.9Very low29.8Very low232 Ų232157 Ų15788%0.87581%0.811SS**  trans-9873.8174.9-80.8-178.7166.3167.2-5.3109.9K725R723-K725 PolarHBondContact O-N 3.41Å
724D26.3Very low29.6Very low143 Ų143158.1 Ų158.177%0.76581%0.809SS**  trans-77105170.5-67.4-46.1000109.7S722 R726S722-D724 PolarHBondContact O-N 2.79Å; D724-R726 PolarHBondContact O-N 2.88Å
725K30.8Very low29Very low198 Ų198155.2 Ų155.286%0.86180%0.804SS**  trans-72.7123170.9-68.6179.5178.1179.10109R723R723-K725 PolarHBondContact O-N 3.41Å
726R28.6Very low28.7Very low245 Ų245150.7 Ų150.793%0.92580%0.796SS**  trans-106.1127.8149.7-71.5-171.3176.5-167.3-1.5108.1D724D724-R726 PolarHBondContact O-N 2.88Å
727Q31.8Very low28.5Very low188 Ų188150.5 Ų150.588%0.87978%0.784SS**  trans-78.5135.7170.3-71169-67.400109
728L29.5Very low28.4Very low161 Ų161146.3 Ų146.384%0.84377%0.773SS**  trans-126.2159.5153.8-115.881.9000107.4
729P26.8Very low28.4Very low122 Ų122142.3 Ų142.379%0.79276%0.76SS**  trans-73.9159.3-165.930.2-35.5000113.5
730A38.8Very low28.5Very low115 Ų115145.8 Ų145.895%0.9576%0.762SS**  trans-78.4122.5-178.400000112.2
731G30.3Very low28.8Very low70 Ų70140.5 Ų140.572%0.72276%0.758SS**  trans178.5134.1174.300000110.9
732S28.2Very low28.7Very low103 Ų103141.8 Ų141.872%0.7276%0.763SS**  trans62.7149.5-166-148.10000115.6D734S732-D734 VanDerWaalsContact CB-OD1 3.3Å; S732-D734 WeakPolarHBondContact CB-OD1 3.42Å; S732-D734 PolarHBondContact OG-OD1 3.2Å
733L36.2Very low29Very low155 Ų155143 Ų14381%0.81277%0.769SS**  trans-12170177.9-169.3106.3000108.8D735L733-D735 PolarHBondContact O-N 3.44Å
734D27.7Very low28.8Very low116 Ų116136 Ų13662%0.6275%0.748SS**  trans-79.7106.6-174.4-60.2-5.8000110.1S732 C736S732-D734 VanDerWaalsContact CB-OD1 3.3Å; S732-D734 WeakPolarHBondContact CB-OD1 3.42Å; S732-D734 PolarHBondContact OG-OD1 3.2Å; D734-C736 PolarHBondContact O-N 3.04Å
735D27Very low29.3Very low146 Ų146138 Ų13878%0.78175%0.75SS**  trans-72.453.3177.7-99-24.2000112.4L733 T737L733-D735 PolarHBondContact O-N 3.44Å; D735-T737 PolarHBondContact O-N 3.48Å; D735-T737 PolarHBondContact O-OG1 2.98Å
736C25.9Very low29.7Very low101 Ų101136.1 Ų136.168%0.68274%0.744SS**  trans-65.591.4-178.5-68.10000112.2D734 V738D734-C736 PolarHBondContact O-N 3.04Å; C736-V738 PolarHBondContact O-N 3Å; C736-V738 VanDerWaalsContact O-N 3.11Å
737T25.1Very low29.8Very low98 Ų98131.5 Ų131.560%0.60174%0.738SS**  trans-77.396179.4-56.70000111.6D735 I739D735-T737 PolarHBondContact O-N 3.48Å; D735-T737 PolarHBondContact O-OG1 2.98Å; T737-I739 PolarHBondContact O-N 2.91Å
738V26.3Very low29.9Very low98 Ų98128.3 Ų128.359%0.59472%0.723SS**  trans-74.4121.1177.9-174.50000111.3C736 Y740C736-V738 PolarHBondContact O-N 3Å; C736-V738 VanDerWaalsContact O-N 3.11Å; V738-Y740 HydrophobicContact CB-CE2 4.07Å; V738-Y740 HydrophobicContact CG1-CD2 4.17Å; V738-Y740 HydrophobicContact CG1-CE1 4.44Å; V738-Y740 HydrophobicContact CG1-CE2 3.55Å
739I24.6Very low30Very low111 Ų111128.8 Ų128.857%0.56973%0.726SS**  trans-92.8116.9-179.6-57.2177.5000110.6T737T737-I739 PolarHBondContact O-N 2.91Å
740Y25.8Very low30.5Very low189 Ų189125.7 Ų125.774%0.74170%0.704SS**  trans-104.7117.8170.9-65.9-83.9000111V738 M742V738-Y740 HydrophobicContact CB-CE2 4.07Å; V738-Y740 HydrophobicContact CG1-CD2 4.17Å; V738-Y740 HydrophobicContact CG1-CE1 4.44Å; V738-Y740 HydrophobicContact CG1-CE2 3.55Å; Y740-M742 PolarHBondContact O-N 3.49Å
741P27Very low30.4Very low123 Ų123128.2 Ų128.280%0.79969%0.694SS**  trans-75.6114.2173.329.7-32.2000110.5
742M25.4Very low30.7Very low170 Ų170136.2 Ų136.284%0.83770%0.702SS**PPolyproline II helixtrans-91.9132.2169.1-64.8-161-58.500110.6Y740Y740-M742 PolarHBondContact O-N 3.49Å
743P30.2Very low31.1Very low120 Ų120134.2 Ų134.278%0.77969%0.687SS**PPolyproline II helixtrans-69.1143.8171.329.6-33.9000110.9
744L32.9Very low31.2Very low84 Ų84128.6 Ų128.644%0.4467%0.666SS.*PPolyproline II helixtrans-74157.1169.7-65.5176.7000110.7
745K37Very low31.6Very low186 Ų186129.5 Ų129.581%0.80968%0.678SS**PPolyproline II helixtrans-71.8149.6167.3-61.7-176.4179.8-177.20109.3D747 Q748K745-D747 PolarHBondContact O-N 3.18Å; K745-Q748 PolarHBondContact O-N 3.11Å
746E37.7Very low31.9Very low158 Ų158130.1 Ų130.174%0.73868%0.681SS**THydrogen-bonded Turntrans-58.5-25.7-165-87179.997.900115.3K790E746-K790 IonicContact OE1-NZ 2.73Å; E746-K790 PolarHBondContact OE1-NZ 3.04Å
747D31.8Very low32.3Very low148 Ų148130.2 Ų130.279%0.79167%0.672SS**THydrogen-bonded Turntrans-104.612.6-169.6-43-73.7000115.3K745 L749K745-D747 PolarHBondContact O-N 3.18Å; D747-L749 PolarHBondContact O-N 2.84Å; D747-L749 VanDerWaalsContact O-N 3.09Å
748Q33.6Very low32.4Very low120 Ų120131.5 Ų131.556%0.56168%0.682SS**  trans-79.295.2-179.9-174.4164.410000112.5K745 V750K745-Q748 PolarHBondContact O-N 3.11Å; Q748-V750 PolarHBondContact O-N 2.97Å
749L31.5Very low32.6Very low172 Ų172130.6 Ų130.690%0.90168%0.677SS**  trans-59.7123.2169.9-69.1172.1000111.7D747D747-L749 PolarHBondContact O-N 2.84Å; D747-L749 VanDerWaalsContact O-N 3.09Å
750V38.1Very low32.8Very low56 Ų56129.5 Ų129.534%0.33968%0.675SS.*  trans-107.8134.2176.3-168.30000110.1Q748 M809Q748-V750 PolarHBondContact O-N 2.97Å; V750-M809 HydrophobicContact CB-CE 4.13Å; V750-M809 HydrophobicContact CG1-CE 3.53Å; V750-M809 HydrophobicContact CG1-SD 4.04Å
751K36.8Very low32.9Very low169 Ų169125.3 Ų125.374%0.73567%0.668SS**PPolyproline II helixtrans-60.4139.1176.9-70.5-167.3173.6-167.40110.6
752R36.5Very low32.9Very low238 Ų238125.7 Ų125.790%0.89866%0.663SS**PPolyproline II helixtrans-63.3142171.1-69.9-176.7176.9-178.8-1.3110
753P37Very low32.9Very low61 Ų61124.5 Ų124.540%0.39666%0.66SS.*PPolyproline II helixtrans-63.4151.1175.426.7-33.8000111.7Q757 V759P753-Q757 HydrophobicContact CB-CB 4.17Å; P753-Q757 HydrophobicContact CB-CG 4.29Å; P753-V759 HydrophobicContact CB-CG2 4.15Å; P753-V759 HydrophobicContact CG-CG2 3.75Å
754G36.5Very low32.9Very low36 Ų36125.6 Ų125.637%0.37166%0.655SS.*PPolyproline II helixtrans-72.8161.8177.100000112.8N756 Q757G754-N756 PolarHBondContact O-N 3.33Å; G754-Q757 WeakPolarHBondContact O-CB 3.23Å; G754-Q757 PolarHBondContact O-N 2.93Å
755P37.5Very low32.7Very low136 Ų136126.5 Ų126.588%0.88367%0.666SS**THydrogen-bonded Turntrans-60.7-20.9-171.423.5-34.6000115
756N32.2Very low32.3Very low158 Ų158125.5 Ų125.585%0.84566%0.661SS**THydrogen-bonded Turntrans-111.816.3-179.2-6010.2000112.6G754G754-N756 PolarHBondContact O-N 3.33Å
757Q34Very low31.9Very low104 Ų104123.8 Ų123.849%0.48666%0.664SS.*SBendtrans-94127179.5-171172.83.200109.9P753 G754 V759P753-Q757 HydrophobicContact CB-CB 4.17Å; P753-Q757 HydrophobicContact CB-CG 4.29Å; G754-Q757 WeakPolarHBondContact O-CB 3.23Å; G754-Q757 PolarHBondContact O-N 2.93Å; Q757-V759 PolarHBondContact O-N 3.25Å
758P27.6Very low31.7Very low125 Ų125128.4 Ų128.481%0.81267%0.67SS**  trans-68.7118.4-175.626.5-33.9000111.4
759V30.7Very low31.5Very low79 Ų79127.4 Ų127.448%0.47968%0.683SS.*  trans-106.1123.1175.9-179.50000109.2P753 Q757 V761P753-V759 HydrophobicContact CB-CG2 4.15Å; P753-V759 HydrophobicContact CG-CG2 3.75Å; Q757-V759 PolarHBondContact O-N 3.25Å; V759-V761 HydrophobicContact CG1-CG2 4.14Å
760V28.7Very low31.2Very low87 Ų87125 Ų12553%0.52768%0.679SS.*  trans-94.3104176.2-177.80000109.1L762V760-L762 HydrophobicContact CG1-CD2 4.3Å; V760-L762 HydrophobicContact CG1-CG 4.36Å
761V27.8Very low31Very low101 Ų101128.3 Ų128.361%0.61270%0.699SS**  trans-87.5122.2177.5-1760000109.8V759V759-V761 HydrophobicContact CG1-CG2 4.14Å
762L27.3Very low30.7Very low131 Ų131129.2 Ų129.269%0.68671%0.705SS**  trans-109.992.5-180-68.6175.4000110.7V760V760-L762 HydrophobicContact CG1-CD2 4.3Å; V760-L762 HydrophobicContact CG1-CG 4.36Å
763N26.3Very low30.4Very low146 Ų146129 Ų12978%0.78171%0.705SS**  trans-68.1134.3176.3-72.3-4.1000111.5
764H28.6Very low30.1Very low142 Ų142132.9 Ų132.966%0.65773%0.728SS**  trans-111.1138.8177.4-135.7-105.6000109.4R704R704-H764 PolarHBondContact NH2-CE1 2.94Å; R704-H764 VanDerWaalsContact NH2-CE1 3.28Å; R704-H764 PolarHBondContact NH2-NE2 3.41Å
765P29.3Very low29.8Very low104 Ų104142.7 Ų142.768%0.67575%0.754SS**PPolyproline II helixtrans-71.9146.2-179.729.4-34.5000111.9
766K28.5Very low29.7Very low164 Ų164140.4 Ų140.471%0.71375%0.746SS**PPolyproline II helixtrans-60136.3-176.5-59.2-167.5-174.7-128.10112.1D815K766-D815 WeakPolarHBondContact CE-OD2 3.23Å; K766-D815 IonicContact NZ-OD2 2.74Å; K766-D815 PolarHBondContact NZ-OD2 3.44Å
767P29.5Very low29.4Very low122 Ų122141 Ų14179%0.79275%0.749SS**PPolyproline II helixtrans-73.8141.4170.931.4-33.4000110.7
768R27.8Very low29.4Very low246 Ų246140.2 Ų140.293%0.92876%0.755SS**PPolyproline II helixtrans-72.9135.3167.9-68.3-176.4175.7-168.3-2.4109.3
769A29Very low29.4Very low99 Ų99143.2 Ų143.282%0.81876%0.755SS**PPolyproline II helixtrans-67.7138.517300000110.6
770C25.6Very low29.4Very low121 Ų121144.3 Ų144.382%0.81877%0.767SS**PPolyproline II helixtrans-95.1129.5171.5-170.10000109
771V32.8Very low29.4Very low126 Ų126147.4 Ų147.476%0.76478%0.78SS**PPolyproline II helixtrans-88.3123.8178.9176.30000109.5
772Q31.7Very low29.6Very low187 Ų187150.4 Ų150.487%0.87479%0.79SS**  trans-145.7125.9157.2-116170.1-4.800110.4
773R30.4Very low29.7Very low233 Ų233147.6 Ų147.688%0.87979%0.792SS**  trans-101.3129.7176.2-73.8175.2170.3152.1-6.6109.7
774T30.5Very low29.8Very low143 Ų143145.8 Ų145.888%0.87780%0.797SS**  trans176.8145.1149.228.80000107.3
775R30.9Very low30Very low243 Ų243143.9 Ų143.992%0.91780%0.8SS**  cis-156157.4-33.5-168.4174.4-175.7173.60.9103.5
776A33.4Very low30Very low87 Ų87146.1 Ų146.172%0.71981%0.807SS**  trans-67.3153.3-173.300000113.6
777D27.3Very low30.3Very low171 Ų171145 Ų14591%0.91481%0.813SS**  -151.2161.4126-92.5-33.4000109.3
778S34.3Very low30.2Very low87 Ų87143.9 Ų143.961%0.60880%0.804SS**  trans-103.1150.2-160.451.50000115.1
779F27.7Very low30.3Very low188 Ų188136.6 Ų136.683%0.82579%0.789SS**  177.8138.9108-102.7-74.3000114.7
780S30.7Very low30.4Very low102 Ų102138.4 Ų138.471%0.71378%0.778SS**  trans33.9103.8151.359.20000123.1
781D28.2Very low30.7Very low152 Ų152135.8 Ų135.881%0.81376%0.76SS**  100.5150.8103.1-149.825.8000123
782M31.9Very low30.9Very low165 Ų165135.9 Ų135.981%0.81375%0.753SS**  trans10.2121.7175.3-67.3-122.271.900121.4
783G28.6Very low31Very low72 Ų72130.6 Ų130.674%0.74273%0.729SS**  trans168.266.8163.700000114.7S785G783-S785 PolarHBondContact O-N 3.43Å
784A29.6Very low31.2Very low107 Ų107124.9 Ų124.988%0.88472%0.716SS**  trans-70.396.8-174.900000113
785S32.2Very low31.3Very low103 Ų103121.9 Ų121.972%0.7269%0.691SS**  trans-77.8128.7166178.30000110.5G783 V787G783-S785 PolarHBondContact O-N 3.43Å; S785-V787 PolarHBondContact O-N 3.04Å
786D29.7Very low31.4Very low151 Ų151116 Ų11681%0.80768%0.675SS**  trans-59.4102.1177.9-83.8-49.6000111.9T788D786-T788 PolarHBondContact O-N 3.09Å
787V34.6Very low31.3Very low139 Ų139120.3 Ų120.384%0.84267%0.673SS**  trans-75.875.3174.6-173.60000109.6S785S785-V787 PolarHBondContact O-N 3.04Å
788T28.1Very low31.5Very low99 Ų99116.1 Ų116.161%0.60765%0.649SS**  trans-57.9129.9176.1500000111.1D786 K790D786-T788 PolarHBondContact O-N 3.09Å; T788-K790 PolarHBondContact O-N 2.6Å
789P28.4Very low31.3Very low93 Ų93115.2 Ų115.260%0.60464%0.643SS**  trans-7299.9-17526.6-33.6000111C791 F816P789-C791 PolarHBondContact O-N 2.9Å; P789-F816 HydrophobicContact CB-CE1 4.39Å; P789-F816 HydrophobicContact CG-CE1 4Å; P789-F816 HydrophobicContact CG-CZ 4.35Å
790K32.1Very low31.6Very low137 Ų137114.4 Ų114.460%0.59664%0.639SS**  trans-67.785.5177.3-72.4-167.1173.4-173.40112.3E746 T788 Q792E746-K790 IonicContact OE1-NZ 2.73Å; E746-K790 PolarHBondContact OE1-NZ 3.04Å; T788-K790 PolarHBondContact O-N 2.6Å; K790-Q792 PolarHBondContact O-N 3.13Å
791C32.1Very low32Very low66 Ų66112.7 Ų112.745%0.44664%0.638SS.*  trans-65122.1163.3-75.40000110.5P789 I793P789-C791 PolarHBondContact O-N 2.9Å; C791-I793 PolarHBondContact O-N 2.92Å
792Q36.2Very low32.3Very low129 Ų129113.4 Ų113.460%0.60364%0.64SS**  trans-87.2107.3173.2-72.9-178-27.800109.7K790 T812K790-Q792 PolarHBondContact O-N 3.13Å; Q792-T812 PolarHBondContact O-OG1 2.81Å; Q792-T812 VanDerWaalsContact O-OG1 3.05Å
793I33.4Very low32.7Very low75 Ų75108.4 Ų108.439%0.38563%0.631SS.*EExtended strand (participates in β ladder)trans-87.5123.6174.4-56.6178.5000108.4C791 M809C791-I793 PolarHBondContact O-N 2.92Å; I793-M809 HydrophobicContact CG2-CE 3.91Å
794L34.8Very low33Very low113 Ų113111.1 Ų111.159%0.59262%0.624SS**EExtended strand (participates in β ladder)trans-106.8110.4177.9-72.7172.9000109.8G810L794-G810 PolarHBondContact N-O 3.46Å; L794-G810 PolarHBondContact O-N 3.28Å; L794-G810 VanDerWaalsContact O-N 3.1Å; L794-G810 VanDerWaalsContact O-O 3.12Å
795K32.8Very low33.1Very low81 Ų81110.3 Ų110.335%0.35261%0.612SS.*EExtended strand (participates in β ladder)trans-88.6108.1179.6179.8162.6172.31560110.2E807 M809K795-E807 WeakPolarHBondContact CE-OE1 3.45Å; K795-E807 WeakPolarHBondContact CE-OE2 3.43Å; K795-E807 IonicContact NZ-OE1 2.73Å; K795-E807 PolarHBondContact NZ-OE1 3.24Å; K795-E807 IonicContact NZ-OE2 3.46Å; K795-E807 PolarHBondContact NZ-OE2 3.3Å; K795-M809 HydrophobicContact CD-SD 4.37Å; K795-M809 HydrophobicContact CG-SD 4.43Å
796M33.7Very low33.1Very low118 Ų118112.7 Ų112.758%0.58161%0.606SS**EExtended strand (participates in β ladder)trans-95.8115174.9-71-174.669.500110.1V808M796-V808 PolarHBondContact N-O 3.45Å; M796-V808 PolarHBondContact O-N 3.41Å
797R31.8Very low33.3Very low179 Ų179110.5 Ų110.568%0.67559%0.591SS**EExtended strand (participates in β ladder)trans-94.3111.4173.8-173.7176.9-176.2176.10.9109
798L30.1Very low33.2Very low82 Ų82106.2 Ų106.243%0.42957%0.565SS.*EExtended strand (participates in β ladder)trans-97.5126.2175.5-67.9175.2000110Y806 V808L798-Y806 PolarHBondContact N-O 2.88Å; L798-V808 HydrophobicContact CD1-CG2 4.02Å
799S30.4Very low33.4Very low69 Ų69103.2 Ų103.248%0.48355%0.545SS..  trans-131.7108.2172.752.40000109.4
800K33.3Very low33.6Very low170 Ų17099.9 Ų99.974%0.73953%0.527SS*.  trans-101.5155.9156.5-167.4162.5-176169.40107.5E206E206-K800 IonicContact OE1-NZ 3.5Å; E206-K800 PolarHBondContact OE1-NZ 3.36Å
801G39.1Very low33.5Very low66 Ų6696.6 Ų96.668%0.6852%0.521SS*.SBendtrans-58.2156.6-179.300000113.3
802I36.2Very low33.5Very low167 Ų16796.7 Ų96.786%0.85652%0.519SS*.SBendtrans69.681.6175.4-44.6177.9000114.8
803G39Very low33.3Very low60 Ų6095.7 Ų95.762%0.61952%0.522SS*.SBendtrans108.6-26.2133.700000119
804Q36.3Very low33Very low129 Ų129100 Ų10060%0.60353%0.533SS*.  trans-139.4129.4176.2-63.9-168.815.900112.2Y806Q804-Y806 HydrophobicContact CB-CE2 4.02Å; Q804-Y806 PolarHBondContact OE1-OH 3.38Å
805S29.8Very low32.9Very low90 Ų90100 Ų10063%0.62953%0.534SS*.  trans-96.9117.5173.458.50000110.5
806Y33.7Very low32.5Very low154 Ų154102.8 Ų102.860%0.60455%0.546SS*.EExtended strand (participates in β ladder)trans-94.2129176-65.7-84.9000110.7L798 Q804L798-Y806 PolarHBondContact N-O 2.88Å; Q804-Y806 HydrophobicContact CB-CE2 4.02Å; Q804-Y806 PolarHBondContact OE1-OH 3.38Å
807E33.8Very low32.8Very low104 Ų104106.4 Ų106.449%0.48658%0.579SS.*EExtended strand (participates in β ladder)trans-103.1106178.4-174.8161.7-83.200109.4K795K795-E807 WeakPolarHBondContact CE-OE1 3.45Å; K795-E807 WeakPolarHBondContact CE-OE2 3.43Å; K795-E807 IonicContact NZ-OE1 2.73Å; K795-E807 PolarHBondContact NZ-OE1 3.24Å; K795-E807 IonicContact NZ-OE2 3.46Å; K795-E807 PolarHBondContact NZ-OE2 3.3Å
808V33.1Very low32.8Very low50 Ų50102.8 Ų102.830%0.30357%0.574SS.*EExtended strand (participates in β ladder)trans-99.8111-175.6-176.20000109.5M796 L798M796-V808 PolarHBondContact N-O 3.45Å; M796-V808 PolarHBondContact O-N 3.41Å; L798-V808 HydrophobicContact CD1-CG2 4.02Å
809M31Very low33Very low36 Ų36103.9 Ų103.918%0.17758%0.582CS.*EExtended strand (participates in β ladder)trans-88.9108.4178.1-75.9-74.2-71.200110.2V750 I793 K795V750-M809 HydrophobicContact CB-CE 4.13Å; V750-M809 HydrophobicContact CG1-CE 3.53Å; V750-M809 HydrophobicContact CG1-SD 4.04Å; I793-M809 HydrophobicContact CG2-CE 3.91Å; K795-M809 HydrophobicContact CD-SD 4.37Å; K795-M809 HydrophobicContact CG-SD 4.43Å
810G32.3Very low33.1Very low23 Ų23105.8 Ų105.824%0.23759%0.587CS.*EExtended strand (participates in β ladder)trans-100.9117.4173.200000111.8L794L794-G810 PolarHBondContact N-O 3.46Å; L794-G810 PolarHBondContact O-N 3.28Å; L794-G810 VanDerWaalsContact O-N 3.1Å; L794-G810 VanDerWaalsContact O-O 3.12Å
811C31.6Very low33.1Very low68 Ų68102.1 Ų102.146%0.45958%0.578SS.*EExtended strand (participates in β ladder)trans-102.6121.3169.9-69.60000109.9V813C811-V813 PolarHBondContact O-N 2.85Å
812T32Very low32.8Very low67 Ų67104.3 Ų104.341%0.41157%0.572SS.*  trans-85.6106.4162.950.80000108.5Q792Q792-T812 PolarHBondContact O-OG1 2.81Å; Q792-T812 VanDerWaalsContact O-OG1 3.05Å
813V30.2Very low32.5Very low109 Ų109100.1 Ų100.166%0.66155%0.553SS**PPolyproline II helixtrans-72.1128.1170.1-1790000107.7C811C811-V813 PolarHBondContact O-N 2.85Å
814R29.1Very low32.1Very low164 Ų164103 Ų10362%0.61955%0.548SS*.PPolyproline II helixtrans-87.8140.6159.4-70.9-176.9175.5-171.9-1107.6F816R814-F816 PolarHBondContact O-N 3.1Å
815D31.8Very low31.7Very low113 Ų113101 Ų10160%0.60454%0.544SS*.PPolyproline II helixtrans-53.1131.8172.1-68.3-14.4000109.2K766K766-D815 WeakPolarHBondContact CE-OD2 3.23Å; K766-D815 IonicContact NZ-OD2 2.74Å; K766-D815 PolarHBondContact NZ-OD2 3.44Å
816F25.3Very low31.9Very low141 Ų141101.9 Ų101.962%0.61854%0.537SS*.PPolyproline II helixtrans-83.6146.4166.9-76.6-104.2000108.6P789 R814P789-F816 HydrophobicContact CB-CE1 4.39Å; P789-F816 HydrophobicContact CG-CE1 4Å; P789-F816 HydrophobicContact CG-CZ 4.35Å; R814-F816 PolarHBondContact O-N 3.1Å
817P39Very low31.7Very low194 Ų19497.2 Ų97.2100%1.2653%0.531SS*.  trans-70.10172.432.9-35.5000111.9

Retrieved 817 of 817 residues in 79.2 ms (Link to these results)