A0A087Y9Q7_POEFO Loading...

Zinc finger protein 503

AlphaFold DB (A0A3B3UXR0), UniProt , Accession A0A087Y9Q7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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
1M32.8Very low36Very low234 Ų234140.7 Ų140.7100%1.15383%0.834SS**  01380-97.8175.8173.300107.9
2I36.6Very low35.7Very low155 Ų155142.8 Ų142.880%0.79584%0.839SS**  trans25.7120.5153.2-10.7177.3000116.1
3T39.4Very low35.4Very low131 Ų131140.2 Ų140.280%0.80483%0.832SS**  -154.1157.861.939.40000117.4
4S30.9Very low35.3Very low113 Ų113143.3 Ų143.379%0.7983%0.834SS**  trans-123.4-170.6156.5-38.80000106.5
5P53.9Low35.3Very low120 Ų120143.7 Ų143.778%0.77983%0.83SS**  cis-115.4-160.1-3.428.7-3.4000110.1
6T35.6Very low35.2Very low128 Ų128141.7 Ų141.779%0.78583%0.825SS**  cis-146.1164.326.138.80000110.2
7A34.4Very low35Very low85 Ų85141.4 Ų141.470%0.70283%0.825SS**  cis133.2109.9-3.300000108.9
8S32.7Very low34.7Very low128 Ų128138.9 Ų138.990%0.89581%0.812SS**  trans-148.9131166.9-88.90000111.3
9A33.9Very low34.7Very low89 Ų89143.5 Ų143.574%0.73681%0.814SS**  trans-23.5157.6167.900000119.7
10L32.2Very low34.3Very low170 Ų170144.9 Ų144.989%0.8981%0.813SS**  cis-155.3-175.9-4.2-118.6166.6000111.4
11K33.3Very low34.5Very low195 Ų195143.8 Ų143.885%0.84882%0.816SS**  trans-87.4154.8-163.9-88.3-176.9171.9-178.90116.8
12N32.3Very low34.3Very low166 Ų166137.8 Ų137.889%0.88880%0.796SS**  trans-64.8152.7153.5-83.9-49.7000112.4
13S32.1Very low34.2Very low108 Ų108135.5 Ų135.576%0.75579%0.794SS**  trans-152.1127.7152.956.80000110.7
14E34.8Very low33.8Very low184 Ų184134.3 Ų134.386%0.8679%0.791SS**  trans-71.8153.9172.6-62.2163.2106.100111.3
15I33.9Very low33.7Very low149 Ų149134.6 Ų134.676%0.76479%0.793SS**  trans-132.8106.4161-62.5-178.3000108.1V17I15-V17 HydrophobicContact CG2-CG2 4.09Å
16C34.3Very low32.8Very low112 Ų112133.9 Ų133.976%0.75779%0.791SS**  trans-70139.9158.2-58.70000108.5
17V31.4Very low32.6Very low137 Ų137135.6 Ų135.683%0.8380%0.796SS**  trans-114.4129.6164.1-169.10000107.8I15I15-V17 HydrophobicContact CG2-CG2 4.09Å
18V30.6Very low32.7Very low96 Ų96137.6 Ų137.658%0.58280%0.804SS**  trans-114.2137-166.5152.40000110.4
19W33.8Very low33Very low226 Ų226137.4 Ų137.486%0.85680%0.803SS**  trans-32.3130.4171.724-75.6000115.2
20E27.2Very low33Very low171 Ų171137 Ų13780%0.79981%0.808SS**  trans-142.9145.4143.6-155.1167.7121.100111.5
21S38.3Very low33.1Very low123 Ų123133.1 Ų133.186%0.8681%0.809SS**  trans-126123.9169.1-69.30000107.7
22S29Very low33.1Very low107 Ų107127.6 Ų127.675%0.74881%0.807SS**  trans-134152.2174.2-90.40000109.9
23S34.2Very low33.5Very low108 Ų108125.2 Ų125.276%0.75580%0.804SS**  trans-139.1172.8-160.464.80000113.1
24S31Very low33.7Very low106 Ų106125.6 Ų125.674%0.74181%0.806SS**  trans86.2155.1160.4-46.20000118.3
25S29.8Very low33.9Very low119 Ų119121.8 Ų121.883%0.83280%0.8SS**  trans77.5136.9170.5-50.80000117.4
26S33Very low34.2Very low104 Ų104125.8 Ų125.873%0.72781%0.805SS**  cis-167.6148.6-13.4490000112
27N33.3Very low34.2Very low165 Ų165128.7 Ų128.788%0.88281%0.813SS**  trans29.2122.6157.7-72.60.9000121.6
28S36.1Very low34.5Very low127 Ų127126.9 Ų126.989%0.88881%0.807SS**  -142.4157.1125.864.30000109.9
29S39.2Very low34.7Very low123 Ų123126.7 Ų126.786%0.8681%0.81SS**  trans-130.5149.5-16055.50000114.2
30G32.7Very low35.2Very low82 Ų82123.6 Ų123.685%0.84581%0.808SS**  trans113.8138.4-179.800000111.2
31G35.6Very low35.6Very low88 Ų88121.7 Ų121.791%0.90780%0.803SS**  cis137.185.34.600000109.8
32G33Very low35.6Very low79 Ų79124 Ų12481%0.81480%0.798SS**  trans170.7111.2-17700000112.8
33S40.9Very low36.3Very low116 Ų116124.5 Ų124.581%0.81180%0.798SS**  trans-75.3129.8173.350.20000111.9
34S35.7Very low36.5Very low115 Ų115128.5 Ų128.580%0.80480%0.803SS**  trans175.3133.7132.1-84.60000114.9
35S39.3Very low37Very low104 Ų104131.4 Ų131.473%0.72781%0.809SS**  trans36.8106.9142-164.80000120.2
36R38.9Very low37.7Very low234 Ų234134.3 Ų134.388%0.88381%0.809SS**  -170.3126123.4-94.6144-151-149.75.2110.2S38R36-S38 PolarHBondContact O-N 3.34Å
37N35Very low38.7Very low172 Ų172135.1 Ų135.192%0.9282%0.815SS**  trans-80.2100.7172.3-169.410.9000108.7
38S38.3Very low39.7Very low100 Ų100129.4 Ų129.470%0.69979%0.791SS**  trans-76.4135.7-17941.80000111.3R36R36-S38 PolarHBondContact O-N 3.34Å
39S35.3Very low41Very low92 Ų92127.6 Ų127.664%0.64378%0.776SS**  trans-67.8136.2-17850.60000111.6N41S39-N41 PolarHBondContact O-N 3.13Å; S39-N41 PolarHBondContact O-ND2 3.14Å; S39-N41 VanDerWaalsContact O-ND2 3.12Å; S39-N41 PolarHBondContact OG-ND2 3.07Å; S39-N41 VanDerWaalsContact OG-ND2 3.13Å
40I42.5Very low41.8Very low160 Ų160127.6 Ų127.682%0.82177%0.773SS**  trans-70.680.9175.5-55.3176.5000108.9K42I40-K42 PolarHBondContact O-N 3.13Å
41N36.5Very low43Very low131 Ų131128.2 Ų128.270%0.70176%0.764SS**  trans-69.695.9166.9-74.9-85000107.8S39S39-N41 PolarHBondContact O-N 3.13Å; S39-N41 PolarHBondContact O-ND2 3.14Å; S39-N41 VanDerWaalsContact O-ND2 3.12Å; S39-N41 PolarHBondContact OG-ND2 3.07Å; S39-N41 VanDerWaalsContact OG-ND2 3.13Å
42K39.3Very low44.4Very low173 Ų173126.1 Ų126.175%0.75273%0.732SS**PPolyproline II helixtrans-57.8123.7164.7-66.5178.4-179.8177.40107.1I40 F44I40-K42 PolarHBondContact O-N 3.13Å; K42-F44 PolarHBondContact O-N 3.32Å
43P42.3Very low46.1Very low116 Ų116127 Ų12775%0.75372%0.724SS**PPolyproline II helixtrans-61.813117725.4-33000108.9L45P43-L45 PolarHBondContact O-N 2.88Å
44F38.6Very low47.2Very low193 Ų193127.8 Ų127.885%0.84672%0.718SS**PPolyproline II helixtrans-61.2121.7170.8-78.1-98.2000108.2K42 H46K42-F44 PolarHBondContact O-N 3.32Å; F44-H46 PolarHBondContact O-N 3.31Å
45L41.8Very low48.5Very low167 Ų167129.4 Ų129.487%0.87471%0.707SS**  trans-65.7101.6171.6-67.1176.6000108P43 S47P43-L45 PolarHBondContact O-N 2.88Å; L45-S47 PolarHBondContact O-N 2.04Å
46H45Very low49.5Very low179 Ų179129.8 Ų129.883%0.82970%0.697SS**  trans-57.2122.7169.2-89.1-105000108.7F44 A48F44-H46 PolarHBondContact O-N 3.31Å; H46-A48 PolarHBondContact O-N 3.2Å
47S52.4Low50.6Low121 Ų121122.7 Ų122.785%0.84669%0.689SS**  trans-54.9113.8172.3-65.50000109.4L45L45-S47 PolarHBondContact O-N 2.04Å
48A54.6Low51.8Low46 Ų46120.5 Ų120.538%0.3868%0.677SS.*  trans-54.2140.717900000110.8H46 D52 R55H46-A48 PolarHBondContact O-N 3.2Å; A48-D52 HydrophobicContact CB-CB 4.24Å; A48-R55 HydrophobicContact CB-CG 4.36Å
49P63.2Low52.9Low89 Ų89125.1 Ų125.158%0.57868%0.679SS**  trans-59.3153.4-177.524.9-34.3000111.3S51 D52P49-S51 PolarHBondContact O-N 2.77Å; P49-D52 PolarHBondContact O-N 3.3Å; P49-D52 VanDerWaalsContact O-N 3.08Å
50P57.9Low54.2Low122 Ų122126 Ų12679%0.79268%0.676SS**THydrogen-bonded Turntrans-62.5-10.1-171.424.9-35.2000115.1
51S56.3Low55.6Low95 Ų95122.5 Ų122.566%0.66466%0.663SS**THydrogen-bonded Turntrans-89.3-3.2178.6-46.10000114.7P49 P53P49-S51 PolarHBondContact O-N 2.77Å; S51-P53 WeakPolarHBondContact O-CD 3.29Å
52D65.3Low56.8Low44 Ų44123.1 Ų123.124%0.23567%0.665CS.*  trans-63.3120.1-179.4170.118.2000112.5A48 P49 L54 R55 Q56A48-D52 HydrophobicContact CB-CB 4.24Å; P49-D52 PolarHBondContact O-N 3.3Å; P49-D52 VanDerWaalsContact O-N 3.08Å; D52-L54 VanDerWaalsContact C-N 3.29Å; D52-L54 PolarHBondContact O-N 2.76Å; D52-L54 WeakPolarHBondContact OD1-CB 3.24Å; D52-L54 PolarHBondContact OD1-N 2.82Å; D52-R55 HydrophobicContact CB-CB 4.19Å; D52-R55 HydrophobicContact CB-CG 4.03Å; D52-R55 WeakPolarHBondContact O-CB 2.99Å; D52-R55 PolarHBondContact O-N 3.09Å; D52-R55 VanDerWaalsContact O-N 3.14Å; D52-R55 WeakPolarHBondContact OD2-CG 3.24Å; D52-Q56 PolarHBondContact O-N 3.18Å
53P68.6Low57.7Low99 Ų99123.5 Ų123.564%0.64367%0.667SS**Hα-helixtrans-57-34.8177.2-25.835.7000114.4S51 R55 Q56 A57S51-P53 WeakPolarHBondContact O-CD 3.29Å; P53-R55 VanDerWaalsContact C-N 3.32Å; P53-R55 PolarHBondContact O-N 3.15Å; P53-Q56 PolarHBondContact O-N 2.72Å; P53-Q56 VanDerWaalsContact O-N 3.1Å; P53-A57 PolarHBondContact O-N 3.29Å
54L64.6Low58.4Low131 Ų131121.2 Ų121.269%0.68665%0.65SS**Hα-helixtrans-68.7-31.7179.3-82.6160.4000112D52 N58D52-L54 VanDerWaalsContact C-N 3.29Å; D52-L54 PolarHBondContact O-N 2.76Å; D52-L54 WeakPolarHBondContact OD1-CB 3.24Å; D52-L54 PolarHBondContact OD1-N 2.82Å; L54-N58 PolarHBondContact O-ND2 3.37Å
55R61.8Low59.4Low150 Ų150116.5 Ų116.557%0.56663%0.634SS**Hα-helixtrans-69.8-30.9170-71-102.965.4-154.42.3112.5A48 D52 P53A48-R55 HydrophobicContact CB-CG 4.36Å; D52-R55 HydrophobicContact CB-CB 4.19Å; D52-R55 HydrophobicContact CB-CG 4.03Å; D52-R55 WeakPolarHBondContact O-CB 2.99Å; D52-R55 PolarHBondContact O-N 3.09Å; D52-R55 VanDerWaalsContact O-N 3.14Å; D52-R55 WeakPolarHBondContact OD2-CG 3.24Å; P53-R55 VanDerWaalsContact C-N 3.32Å; P53-R55 PolarHBondContact O-N 3.15Å
56Q61.5Low60.2Low111 Ų111116.4 Ų116.452%0.51963%0.626SS.*Hα-helixtrans-77.6-41.1179.4-64.8-174.911.500112.5D52 P53 N58 R59D52-Q56 PolarHBondContact O-N 3.18Å; P53-Q56 PolarHBondContact O-N 2.72Å; P53-Q56 VanDerWaalsContact O-N 3.1Å; Q56-N58 PolarHBondContact O-N 3.39Å; Q56-N58 VanDerWaalsContact O-N 3.1Å; Q56-R59 WeakPolarHBondContact O-CB 3.02Å; Q56-R59 PolarHBondContact O-N 3.49Å
57A60.8Low60.5Low86 Ų86114.8 Ų114.871%0.71162%0.621SS**Hα-helixtrans-57.5-25.3175.900000113.7P53P53-A57 PolarHBondContact O-N 3.29Å
58N61Low60.7Low126 Ų126114 Ų11467%0.67461%0.606SS**THydrogen-bonded Turntrans-938178.5-75.6-84.1000114.4L54 Q56L54-N58 PolarHBondContact O-ND2 3.37Å; Q56-N58 PolarHBondContact O-N 3.39Å; Q56-N58 VanDerWaalsContact O-N 3.1Å
59R62.5Low60.8Low197 Ų197116.5 Ų116.574%0.74362%0.617SS**  trans-86.7113.5174.7-74.8-173.3173.2-90.25111.2Q56Q56-R59 WeakPolarHBondContact O-CB 3.02Å; Q56-R59 PolarHBondContact O-N 3.49Å
60L62.5Low60.3Low111 Ų111116.3 Ų116.358%0.58162%0.623SS**  trans-55.3136165.2-64.1178000110I62 L68L60-I62 PolarHBondContact O-N 3.22Å; L60-L68 HydrophobicContact CD1-CD1 4.46Å
61P71.3Confident60Low85 Ų85121.8 Ų121.855%0.55263%0.628SS**  trans-61.6138.9-177.423.1-32.6000111K63 V64 L65P61-K63 PolarHBondContact O-N 2.88Å; P61-V64 HydrophobicContact CG-CB 4.41Å; P61-V64 HydrophobicContact CG-CG2 3.95Å; P61-V64 WeakPolarHBondContact O-CB 3.25Å; P61-V64 PolarHBondContact O-N 3.37Å; P61-L65 PolarHBondContact O-N 3.13Å
62I60.8Low59.8Low144 Ų144121.7 Ų121.774%0.73863%0.627SS**Hα-helixtrans-52.4-32.5-170.1-61169.8000112.6L60 V64 L65 K66L60-I62 PolarHBondContact O-N 3.22Å; I62-V64 VanDerWaalsContact C-N 3.35Å; I62-V64 PolarHBondContact O-N 2.83Å; I62-L65 PolarHBondContact O-N 2.95Å; I62-K66 WeakPolarHBondContact O-CB 3.5Å; I62-K66 PolarHBondContact O-N 3.23Å
63K58.1Low59.1Low182 Ų182122.3 Ų122.379%0.79164%0.644SS**Hα-helixtrans-63.8-34.6177.5-157.7171-174.9177.60113.2P61 M67P61-K63 PolarHBondContact O-N 2.88Å; K63-M67 WeakPolarHBondContact O-CG 3.49Å; K63-M67 PolarHBondContact O-N 3.32Å
64V58.7Low58.3Low67 Ų67126.6 Ų126.641%0.40666%0.655SS.*Hα-helixtrans-77.3-41.1174.41760000110.6P61 I62 K66 M67 L68P61-V64 HydrophobicContact CG-CB 4.41Å; P61-V64 HydrophobicContact CG-CG2 3.95Å; P61-V64 WeakPolarHBondContact O-CB 3.25Å; P61-V64 PolarHBondContact O-N 3.37Å; I62-V64 VanDerWaalsContact C-N 3.35Å; I62-V64 PolarHBondContact O-N 2.83Å; V64-K66 VanDerWaalsContact C-N 3.3Å; V64-K66 PolarHBondContact O-N 2.86Å; V64-M67 WeakPolarHBondContact O-CB 3.14Å; V64-M67 PolarHBondContact O-N 3.4Å; V64-M67 VanDerWaalsContact O-N 3.08Å; V64-L68 HydrophobicContact CG1-CD1 4.05Å; V64-L68 PolarHBondContact O-N 2.87Å
65L57.9Low57.8Low95 Ų95128 Ų12850%0.49766%0.661SS.*Hα-helixtrans-59.3-42.8176.7-152.773.5000111.3P61 I62 M67 L68 T69P61-L65 PolarHBondContact O-N 3.13Å; I62-L65 PolarHBondContact O-N 2.95Å; L65-M67 VanDerWaalsContact C-N 3.3Å; L65-M67 PolarHBondContact O-N 2.82Å; L65-L68 PolarHBondContact O-N 3.45Å; L65-T69 PolarHBondContact O-N 3.36Å; L65-T69 PolarHBondContact O-OG1 3.32Å; L65-T69 VanDerWaalsContact O-OG1 3.13Å
66K58.4Low57.2Low165 Ų165127.9 Ų127.972%0.71767%0.671SS**Hα-helixtrans-64.4-29.4175.6-168.7165.8-177.4171.30113.6I62 V64 A70I62-K66 WeakPolarHBondContact O-CB 3.5Å; I62-K66 PolarHBondContact O-N 3.23Å; V64-K66 VanDerWaalsContact C-N 3.3Å; V64-K66 PolarHBondContact O-N 2.86Å; K66-A70 PolarHBondContact O-N 3.24Å
67M52.5Low56.2Low145 Ų145129.1 Ų129.171%0.71468%0.677SS**Hα-helixtrans-74.2-38.7173.2-66.1-105.2-70.200112.1K63 V64 L65 A70K63-M67 WeakPolarHBondContact O-CG 3.49Å; K63-M67 PolarHBondContact O-N 3.32Å; V64-M67 WeakPolarHBondContact O-CB 3.14Å; V64-M67 PolarHBondContact O-N 3.4Å; V64-M67 VanDerWaalsContact O-N 3.08Å; L65-M67 VanDerWaalsContact C-N 3.3Å; L65-M67 PolarHBondContact O-N 2.82Å; M67-A70 PolarHBondContact O-N 3.37Å
68L56.3Low55.8Low103 Ų103129.6 Ų129.654%0.53967%0.673SS.*Hα-helixtrans-65.9-46.1176.5-73162.5000111.3L60 V64 L65 A70 R71 S72L60-L68 HydrophobicContact CD1-CD1 4.46Å; V64-L68 HydrophobicContact CG1-CD1 4.05Å; V64-L68 PolarHBondContact O-N 2.87Å; L65-L68 PolarHBondContact O-N 3.45Å; L68-A70 VanDerWaalsContact C-N 3.28Å; L68-A70 PolarHBondContact O-N 3.27Å; L68-R71 PolarHBondContact O-N 2.84Å; L68-R71 VanDerWaalsContact O-N 3.16Å; L68-S72 PolarHBondContact O-N 3.15Å
69T56.3Low55.2Low99 Ų99129.6 Ų129.661%0.60767%0.669SS**Hα-helixtrans-57.9-39.7175.4-55.90000112.1L65 R71 S72L65-T69 PolarHBondContact O-N 3.36Å; L65-T69 PolarHBondContact O-OG1 3.32Å; L65-T69 VanDerWaalsContact O-OG1 3.13Å; T69-R71 PolarHBondContact O-N 2.83Å; T69-R71 VanDerWaalsContact O-N 3.16Å; T69-S72 PolarHBondContact O-N 2.9Å
70A53.6Low54.5Low86 Ų86129.8 Ų129.871%0.71167%0.671SS**Hα-helixtrans-62.6-21.318000000114.4K66 M67 L68K66-A70 PolarHBondContact O-N 3.24Å; M67-A70 PolarHBondContact O-N 3.37Å; L68-A70 VanDerWaalsContact C-N 3.28Å; L68-A70 PolarHBondContact O-N 3.27Å
71R51.9Low53.8Low237 Ų237132.2 Ų132.289%0.89468%0.683SS**Hα-helixtrans-97.9-8.3173.8-102.5-178170.2179.5-4.1114.5L68 T69L68-R71 PolarHBondContact O-N 2.84Å; L68-R71 VanDerWaalsContact O-N 3.16Å; T69-R71 PolarHBondContact O-N 2.83Å; T69-R71 VanDerWaalsContact O-N 3.16Å
72S50.4Low52.4Low92 Ų92135.2 Ų135.264%0.64369%0.69SS**SBendtrans-95.82.5-178.4-166.60000114.2L68 T69L68-S72 PolarHBondContact O-N 3.15Å; T69-S72 PolarHBondContact O-N 2.9Å
73G50.9Low51.6Low57 Ų57133.8 Ų133.859%0.58869%0.69SS**THydrogen-bonded Turntrans-84.8-2.5-173.300000116.7
74H52Low50.6Low190 Ų190132.9 Ų132.988%0.8869%0.693SS**THydrogen-bonded Turntrans-99.43.8-168.1-113.7-66.1000115.9
75I55Low49.7Very low159 Ų159134.9 Ų134.982%0.81571%0.707SS**SBendtrans-121.8-18.2-173.1-56.8175.3000112.5
76L48Very low48.9Very low148 Ų148136.1 Ų136.178%0.77572%0.724SS**SBendtrans-130.1122.6178.8-66175.1000110.5
77H41.8Very low47.7Very low137 Ų137134.2 Ų134.263%0.63473%0.726SS**  trans-77.6126-178.8-132.2-98000110.4E79 Y80H77-E79 VanDerWaalsContact C-N 3.27Å; H77-E79 WeakPolarHBondContact ND1-CG 3.28Å; H77-E79 PolarHBondContact O-N 3.21Å; H77-Y80 HydrophobicContact CB-CD2 4.07Å; H77-Y80 HydrophobicContact CB-CE2 4.17Å
78P52.5Low47.3Very low97 Ų97133.1 Ų133.163%0.6373%0.73SS**G310 helixtrans-70.2-22.1-177.227.2-33.8000113.8Y80 L81P78-Y80 PolarHBondContact O-N 3.22Å; P78-L81 PolarHBondContact O-N 3.25Å; P78-L81 VanDerWaalsContact O-N 3.17Å
79E48.9Very low47.1Very low125 Ų125135.2 Ų135.258%0.58475%0.747SS**G310 helixtrans-59.8-12.8-176.4-52.7-53.4113.700115.1H77H77-E79 VanDerWaalsContact C-N 3.27Å; H77-E79 WeakPolarHBondContact ND1-CG 3.28Å; H77-E79 PolarHBondContact O-N 3.21Å
80Y46.8Very low46.2Very low202 Ų202134.9 Ų134.979%0.79275%0.749SS**G310 helixtrans-90.60.1179-69.1-71.4000114.9H77 P78H77-Y80 HydrophobicContact CB-CD2 4.07Å; H77-Y80 HydrophobicContact CB-CE2 4.17Å; P78-Y80 PolarHBondContact O-N 3.22Å
81L47.3Very low46Very low161 Ų161136.8 Ų136.884%0.84375%0.754SS**G310 helixtrans-123.730.4177.5-71.4178.4000113.6P78 P83P78-L81 PolarHBondContact O-N 3.25Å; P78-L81 VanDerWaalsContact O-N 3.17Å; L81-P83 WeakPolarHBondContact O-CD 3.3Å
82Q42.3Very low45.7Very low148 Ų148131.9 Ų131.969%0.69274%0.744SS**PPolyproline II helixtrans-81.4120.3169.2-167.1173.420.200110.5L84Q82-L84 PolarHBondContact O-N 3.16Å
83P43.6Very low46Very low114 Ų114137 Ų13774%0.7476%0.758SS**PPolyproline II helixtrans-65.3129.7172.1-18.832.7000110.2L81L81-P83 WeakPolarHBondContact O-CD 3.3Å
84L38Very low46.2Very low164 Ų164141.1 Ų141.186%0.85977%0.765SS**PPolyproline II helixtrans-62.7127-179.9-69.5170.6000110.8Q82 S86Q82-L84 PolarHBondContact O-N 3.16Å; L84-S86 PolarHBondContact O-N 3.48Å
85P38.8Very low46.4Very low108 Ų108135.1 Ų135.170%0.70174%0.74SS**PPolyproline II helixtrans-69.5123.417527.8-33000110.6T87P85-T87 PolarHBondContact O-N 3.18Å
86S40.9Very low46.4Very low121 Ų121131 Ų13185%0.84673%0.73SS**  trans-8594.5-17656.90000112.3L84L84-S86 PolarHBondContact O-N 3.48Å
87T34.1Very low46.8Very low125 Ų125132.1 Ų132.177%0.76773%0.729SS**  trans-138.9158.917230.50000111P85P85-T87 PolarHBondContact O-N 3.18Å
88P43.4Very low47.7Very low122 Ų122133.7 Ų133.779%0.79273%0.733SS**  trans-86.5165-143.532.4-37.6000117.1
89V51.8Low48.7Very low147 Ų147131.5 Ų131.589%0.89172%0.72SS**  trans-54133.5178.1177.90000113.2
90S38.7Very low50.3Low93 Ų93130.3 Ų130.365%0.6572%0.724SS**  trans-136.3150.9152.863.30000109.6I92S90-I92 PolarHBondContact O-N 3.32Å
91P48.8Very low52Low125 Ų125127.2 Ų127.281%0.81272%0.72SS**  trans-83.2116.2-163.431-34000112.3
92I44.7Very low53.5Low135 Ų135121.1 Ų121.169%0.69269%0.693SS**  trans-107105.2169.1-57.6179.2000108.2S90 L94S90-I92 PolarHBondContact O-N 3.32Å; I92-L94 HydrophobicContact CG2-CB 3.96Å; I92-L94 HydrophobicContact CG2-CD1 3.89Å; I92-L94 HydrophobicContact CG2-CG 3.62Å; I92-L94 PolarHBondContact O-N 2.6Å
93E57.1Low55.4Low198 Ų198119.3 Ų119.393%0.92569%0.688SS**  trans-72.466.6166.7-68.5-165.9120.800110.4D95E93-D95 PolarHBondContact O-N 3.37Å
94L55.9Low57.3Low144 Ų144118.8 Ų118.875%0.75468%0.678SS**  trans-70.5117.3178.1-114.1168.1000109.4I92 A96I92-L94 HydrophobicContact CG2-CB 3.96Å; I92-L94 HydrophobicContact CG2-CD1 3.89Å; I92-L94 HydrophobicContact CG2-CG 3.62Å; I92-L94 PolarHBondContact O-N 2.6Å; L94-A96 PolarHBondContact O-N 3.23Å
95D56Low59.3Low64 Ų64113.9 Ų113.934%0.34266%0.661SS.*  trans-53.796.1-167.7-173.828.3000113.6E93 K97 K98E93-D95 PolarHBondContact O-N 3.37Å; D95-K97 PolarHBondContact O-N 3.41Å; D95-K97 WeakPolarHBondContact OD1-CB 3.43Å; D95-K97 VanDerWaalsContact OD1-CD 3.28Å; D95-K97 WeakPolarHBondContact OD1-CD 3.38Å; D95-K97 WeakPolarHBondContact OD1-CE 3.32Å; D95-K97 WeakPolarHBondContact OD1-CG 3.44Å; D95-K97 IonicContact OD1-NZ 4Å; D95-K97 PolarHBondContact OD1-NZ 3.39Å; D95-K97 IonicContact OD2-NZ 2.64Å; D95-K98 PolarHBondContact O-N 2.89Å
96A55.3Low61.2Low74 Ų74114.5 Ų114.561%0.61266%0.655SS**THydrogen-bonded Turntrans-59.7-11.1-177.700000113.7L94 K98 A102L94-A96 PolarHBondContact O-N 3.23Å; A96-K98 VanDerWaalsContact C-N 3.27Å; A96-K98 PolarHBondContact O-N 3.28Å; A96-A102 WeakPolarHBondContact O-CB 3.47Å
97K55.5Low62.9Low171 Ų171111.6 Ų111.674%0.74363%0.632SS**THydrogen-bonded Turntrans-70.6-14.2174.6-50.9175.1-157.888.40114D95D95-K97 PolarHBondContact O-N 3.41Å; D95-K97 WeakPolarHBondContact OD1-CB 3.43Å; D95-K97 VanDerWaalsContact OD1-CD 3.28Å; D95-K97 WeakPolarHBondContact OD1-CD 3.38Å; D95-K97 WeakPolarHBondContact OD1-CE 3.32Å; D95-K97 WeakPolarHBondContact OD1-CG 3.44Å; D95-K97 IonicContact OD1-NZ 4Å; D95-K97 PolarHBondContact OD1-NZ 3.39Å; D95-K97 IonicContact OD2-NZ 2.64Å
98K60.9Low65.1Low169 Ų169109.9 Ų109.974%0.73562%0.624SS**SBendtrans-118-6.2-177.2-102.673.8169.9-165.60115.7D95 A96D95-K98 PolarHBondContact O-N 2.89Å; A96-K98 VanDerWaalsContact C-N 3.27Å; A96-K98 PolarHBondContact O-N 3.28Å
99S73.8Confident66.7Low51 Ų51107 Ų10736%0.35761%0.607SS.*  trans-64.6129.9178.7174.20000110.7L101 A102 L103S99-L101 PolarHBondContact O-N 3.18Å; S99-L101 VanDerWaalsContact O-N 3.16Å; S99-L101 PolarHBondContact OG-N 3.01Å; S99-A102 WeakPolarHBondContact O-CA 3.38Å; S99-A102 WeakPolarHBondContact O-CB 3.45Å; S99-A102 PolarHBondContact O-N 3.42Å; S99-L103 PolarHBondContact O-N 3.25Å
100P82.8Confident67.5Low101 Ų101106.2 Ų106.266%0.65659%0.594SS**Hα-helixtrans-55.8-32.6173.9-2634.8000112.6L103 L104P100-L103 PolarHBondContact O-N 3.24Å; P100-L104 WeakPolarHBondContact O-CG 3.3Å; P100-L104 PolarHBondContact O-N 3.46Å
101L82.5Confident68.9Low136 Ų136108.9 Ų108.971%0.71260%0.599SS**Hα-helixtrans-70.5-34.3177-146.374.5000112.1S99 A105S99-L101 PolarHBondContact O-N 3.18Å; S99-L101 VanDerWaalsContact O-N 3.16Å; S99-L101 PolarHBondContact OG-N 3.01Å; L101-A105 WeakPolarHBondContact O-CB 3.5Å; L101-A105 PolarHBondContact O-N 3.19Å
102A79.6Confident69.4Low34 Ų34106.1 Ų106.128%0.28159%0.594SS.*Hα-helixtrans-74-36.7174.400000111.9A96 S99 A105 Q106A96-A102 WeakPolarHBondContact O-CB 3.47Å; S99-A102 WeakPolarHBondContact O-CA 3.38Å; S99-A102 WeakPolarHBondContact O-CB 3.45Å; S99-A102 PolarHBondContact O-N 3.42Å; A102-A105 PolarHBondContact O-N 3.16Å; A102-Q106 WeakPolarHBondContact O-CB 3.39Å; A102-Q106 PolarHBondContact O-N 3.24Å
103L80.8Confident70.1Confident109 Ų109106.1 Ų106.157%0.57159%0.588SS**Hα-helixtrans-62-44.8172.4-177.362.5000111.2S99 P100 Q106 T107S99-L103 PolarHBondContact O-N 3.25Å; P100-L103 PolarHBondContact O-N 3.24Å; L103-Q106 WeakPolarHBondContact O-CB 3.31Å; L103-Q106 PolarHBondContact O-N 3.21Å; L103-T107 PolarHBondContact O-N 3.38Å; L103-T107 PolarHBondContact O-OG1 3.04Å
104L84.4Confident69.8Low103 Ų103102.5 Ų102.554%0.53958%0.582SS.*Hα-helixtrans-59.9-46173.3-74.5167.8000111.9P100 Q106 T107 C108P100-L104 WeakPolarHBondContact O-CG 3.3Å; P100-L104 PolarHBondContact O-N 3.46Å; L104-Q106 VanDerWaalsContact C-N 3.3Å; L104-Q106 PolarHBondContact O-N 2.91Å; L104-T107 WeakPolarHBondContact CA-OG1 3.34Å; L104-T107 PolarHBondContact O-N 3.42Å; L104-T107 PolarHBondContact O-OG1 3.22Å; L104-C108 WeakPolarHBondContact O-CB 3.48Å; L104-C108 PolarHBondContact O-N 2.87Å; L104-C108 PolarHBondContact O-SG 2.91Å
105A80.5Confident69.3Low62 Ų62103.1 Ų103.151%0.51259%0.586SS.*Hα-helixtrans-60.6-38.7175.300000112.3L101 A102 S109L101-A105 WeakPolarHBondContact O-CB 3.5Å; L101-A105 PolarHBondContact O-N 3.19Å; A102-A105 PolarHBondContact O-N 3.16Å; A105-S109 WeakPolarHBondContact O-CB 3.47Å; A105-S109 PolarHBondContact O-N 3.23Å
106Q77.3Confident69.5Low120 Ų120104.8 Ų104.856%0.56160%0.601SS**Hα-helixtrans-66-47.6175.7-175.8175.9-1200111.6A102 L103 L104 C108 S109 Q110A102-Q106 WeakPolarHBondContact O-CB 3.39Å; A102-Q106 PolarHBondContact O-N 3.24Å; L103-Q106 WeakPolarHBondContact O-CB 3.31Å; L103-Q106 PolarHBondContact O-N 3.21Å; L104-Q106 VanDerWaalsContact C-N 3.3Å; L104-Q106 PolarHBondContact O-N 2.91Å; Q106-C108 PolarHBondContact O-N 3.47Å; Q106-S109 CarbonylContact O-C 3.51Å; Q106-S109 WeakPolarHBondContact O-CA 3.47Å; Q106-S109 WeakPolarHBondContact O-CB 3.17Å; Q106-S109 PolarHBondContact O-N 3.27Å; Q106-S109 VanDerWaalsContact O-N 3.08Å; Q106-Q110 PolarHBondContact O-N 3.47Å
107T77.5Confident69Low60 Ų60107 Ų10737%0.36861%0.609SS.*Hα-helixtrans-62.1-42.2177.551.40000111.8L103 L104 S109 Q110 I111L103-T107 PolarHBondContact O-N 3.38Å; L103-T107 PolarHBondContact O-OG1 3.04Å; L104-T107 WeakPolarHBondContact CA-OG1 3.34Å; L104-T107 PolarHBondContact O-N 3.42Å; L104-T107 PolarHBondContact O-OG1 3.22Å; T107-S109 VanDerWaalsContact C-N 3.28Å; T107-S109 PolarHBondContact O-N 3.34Å; T107-Q110 VanDerWaalsContact O-CB 3.3Å; T107-Q110 WeakPolarHBondContact O-CB 3.42Å; T107-Q110 PolarHBondContact O-N 3.43Å; T107-I111 WeakPolarHBondContact O-CD1 3.46Å; T107-I111 VanDerWaalsContact O-CG1 3.31Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 3.32Å
108C79.9Confident68.5Low90 Ų90105.1 Ų105.161%0.60861%0.614SS**Hα-helixtrans-62.9-34.4173.7-68.30000112.2L104 Q106 Q110L104-C108 WeakPolarHBondContact O-CB 3.48Å; L104-C108 PolarHBondContact O-N 2.87Å; L104-C108 PolarHBondContact O-SG 2.91Å; Q106-C108 PolarHBondContact O-N 3.47Å; C108-Q110 VanDerWaalsContact C-N 3.28Å; C108-Q110 PolarHBondContact O-N 3.46Å
109S77.6Confident67.4Low61 Ų61102.1 Ų102.143%0.42761%0.614SS.*Hα-helixtrans-72.2-18.7172.9-157.50000113.3A105 Q106 T107 K113A105-S109 WeakPolarHBondContact O-CB 3.47Å; A105-S109 PolarHBondContact O-N 3.23Å; Q106-S109 CarbonylContact O-C 3.51Å; Q106-S109 WeakPolarHBondContact O-CA 3.47Å; Q106-S109 WeakPolarHBondContact O-CB 3.17Å; Q106-S109 PolarHBondContact O-N 3.27Å; Q106-S109 VanDerWaalsContact O-N 3.08Å; T107-S109 VanDerWaalsContact C-N 3.28Å; T107-S109 PolarHBondContact O-N 3.34Å; S109-K113 WeakPolarHBondContact O-CD 3.5Å; S109-K113 WeakPolarHBondContact O-CE 3.4Å; S109-K113 PolarHBondContact O-NZ 3.45Å; S109-K113 PolarHBondContact OG-NZ 3Å
110Q67.9Low65.7Low131 Ų131104.5 Ų104.561%0.61263%0.631SS**Hα-helixtrans-81.5-36.3176.6-143.981.216.200111.8Q106 T107 C108 G112Q106-Q110 PolarHBondContact O-N 3.47Å; T107-Q110 VanDerWaalsContact O-CB 3.3Å; T107-Q110 WeakPolarHBondContact O-CB 3.42Å; T107-Q110 PolarHBondContact O-N 3.43Å; C108-Q110 VanDerWaalsContact C-N 3.28Å; C108-Q110 PolarHBondContact O-N 3.46Å; Q110-G112 VanDerWaalsContact C-N 3.3Å; Q110-G112 PolarHBondContact O-N 3.49Å
111I68.3Low63.7Low148 Ų148109.7 Ų109.776%0.75964%0.643SS**THydrogen-bonded Turntrans-76.9-9.9-169-69.6162.4000113.8T107T107-I111 WeakPolarHBondContact O-CD1 3.46Å; T107-I111 VanDerWaalsContact O-CG1 3.31Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 3.32Å
112G58.9Low61.7Low68 Ų68111.2 Ų111.270%0.70165%0.651SS**THydrogen-bonded Turntrans-119.514.1-174.600000116.6Q110Q110-G112 VanDerWaalsContact C-N 3.3Å; Q110-G112 PolarHBondContact O-N 3.49Å
113K58.9Low59.4Low134 Ų134114.4 Ų114.458%0.58367%0.672SS**  trans-109.4131.2-178.8-68174.9-175131.50110.9S109S109-K113 WeakPolarHBondContact O-CD 3.5Å; S109-K113 WeakPolarHBondContact O-CE 3.4Å; S109-K113 PolarHBondContact O-NZ 3.45Å; S109-K113 PolarHBondContact OG-NZ 3Å
114P51.8Low57.1Low122 Ų122114.1 Ų114.179%0.79268%0.678SS**PPolyproline II helixtrans-66.8145167.830-33.8000110.1
115D45.1Very low54.7Low157 Ų157117.3 Ų117.384%0.8470%0.695SS**PPolyproline II helixtrans-70.4126.1-174.4-159.326000111.2
116P60.2Low52.5Low99 Ų99120.8 Ų120.864%0.64371%0.71SS**PPolyproline II helixtrans-76.9137.2179.730.1-34000111.5
117P44.3Very low50.8Low122 Ų122120.9 Ų120.979%0.79272%0.721SS**PPolyproline II helixtrans-66.5138.2-17927.6-34.9000111.8S119P117-S119 PolarHBondContact O-N 2.93Å
118P44.8Very low48.6Very low130 Ų130126 Ų12684%0.84475%0.747SS**  trans-82.1114.5-172.430.7-34.3000112.9
119S38.3Very low46.1Very low106 Ų106125 Ų12574%0.74175%0.751SS**  trans-156.1113.6159.7-156.90000114.8P117P117-S119 PolarHBondContact O-N 2.93Å
120S38.3Very low43.8Very low102 Ų102127.3 Ų127.371%0.71377%0.767SS**  57.692.3117.1-42.30000122.6
121K40.5Very low42Very low210 Ų210125.5 Ų125.591%0.91377%0.769SS**  trans45.6118.5130.1-63-178.7179.8178.10121.5
122L40.3Very low40.1Very low168 Ų168126.9 Ų126.988%0.8877%0.772SS**  108.5146.1128.6-15664.6000119.2
123S31.5Very low39.1Very low101 Ų101132 Ų13271%0.70678%0.775SS**  trans72.4143.1169.4-62.60000118.8
124S33.4Very low37.8Very low102 Ų102133.9 Ų133.971%0.71379%0.786SS**  cis-169.6145.8-24.749.10000110.5
125L33.3Very low36.9Very low170 Ų170133.9 Ų133.989%0.8979%0.789SS**  trans29120.7152.5-56.4175.9000120.4
126T33.6Very low36.7Very low136 Ų136136 Ų13683%0.83479%0.791SS**  trans-69.4150.116455.70000112.3
127P41.8Very low35.5Very low121 Ų121137.3 Ų137.379%0.78680%0.802SS**  -149.2141.694.237.3-20.3000118
128N31.7Very low35.1Very low169 Ų169134.7 Ų134.790%0.90480%0.797SS**  trans40.8122.7140.4-161.770.7000123.4
129G27.3Very low35.5Very low67 Ų67134.4 Ų134.469%0.69180%0.795SS**  trans127.7150.3160.500000111.8
130S30.2Very low35.5Very low110 Ų110137.5 Ų137.577%0.76980%0.803SS**  cis167.3145.6-13.1171.30000104.2
131S29.2Very low35.6Very low94 Ų94141.7 Ų141.766%0.65781%0.808SS**  trans66.2160.9171.5105.60000115.5
132E29.6Very low35.8Very low177 Ų177139 Ų13983%0.82780%0.803SS**  cis-155.4-148.4-22.850.8-156.3109.800112.4
133K36.4Very low35.7Very low176 Ų176136.2 Ų136.277%0.76580%0.797SS**  trans-94.2165.4-162.7-65.9177.6178.3174.80115.1
134E32.2Very low36Very low173 Ų173138.3 Ų138.381%0.80880%0.801SS**  trans68.7152156-77.2168.287.400115.3
135S33.5Very low36.5Very low122 Ų122141.2 Ų141.285%0.85381%0.807SS**  cis-139.6-178.433.3-64.20000115
136K40.2Very low36.7Very low202 Ų202136 Ų13688%0.87879%0.794SS**  trans-127.2114.9-169.1163.5-162.4170.7-174.80111.2
137S35.4Very low37.3Very low126 Ų126136.1 Ų136.188%0.88179%0.794SS**  trans-171.8155.8158.446.80000113.6
138G35.7Very low37.2Very low67 Ų67137 Ų13769%0.69179%0.792SS**  trans-141.2-143.6152.100000105.2
139P52.4Low38Very low123 Ų123136.6 Ų136.680%0.79979%0.79SS**  cis-102.7-165.8-38.541.2-30.2000109.8
140L38.8Very low39Very low171 Ų171141.9 Ų141.990%0.89579%0.794SS**  trans-177.5173.1133.3-101169.1000112.8
141K41.3Very low39.6Very low190 Ų190141.8 Ų141.883%0.82679%0.793SS**  trans-104.2163.4-179.1-68.7180171.9-177.20112.4
142L43.2Very low40.2Very low155 Ų155141.8 Ų141.881%0.81279%0.793SS**  -178.7131.2125.9-88.9154.9000106.8
143S39.3Very low40.6Very low108 Ų108142.3 Ų142.376%0.75579%0.793SS**  60.3139.998-57.50000114.3
144D37.6Very low41.1Very low146 Ų146143.3 Ų143.378%0.78180%0.797SS**  cis-150.9179.516.2-165.8-160.7000112.5
145I43.2Very low41.5Very low163 Ų163139.4 Ų139.484%0.83679%0.787SS**  trans-102127.5176.2-63.993000111.3
146G37.7Very low41.6Very low60 Ų60144.3 Ų144.362%0.61979%0.788SS**  trans-166.6142.9172.100000115.7
147V46.2Very low41.5Very low139 Ų139140.7 Ų140.784%0.84279%0.788SS**  trans56.8119.8166.9-51.20000120.1D149V147-D149 PolarHBondContact O-N 3.25Å
148D40.7Very low41.5Very low140 Ų140144.5 Ų144.575%0.74979%0.789SS**  trans-56.9107157.939.8-65000113.4
149D48.8Very low42.2Very low160 Ų160146.7 Ų146.786%0.85679%0.791SS**  trans-89.7134.6154.5-170.3-117.6000110.1V147V147-D149 PolarHBondContact O-N 3.25Å
150K48.1Very low41.7Very low177 Ų177146.9 Ų146.977%0.7779%0.791SS**  trans-152.5141.8-160.8-162175.7-171.7173.20109.9
151S41.1Very low41.7Very low108 Ų108145.2 Ų145.276%0.75578%0.783SS**  trans76.6152.8-169.6-131.10000112.4
152S41.9Very low41.8Very low94 Ų94144.7 Ų144.766%0.65778%0.78SS**  cis-152.1138-1.5-166.70000110.6
153F38.4Very low41.8Very low188 Ų188147 Ų14783%0.82578%0.784SS**  -171.5115.3121.9-124.5-101.9000111.7
154K47.6Very low41.7Very low197 Ų197148.4 Ų148.486%0.85778%0.783SS**  trans-136.8115.5157.1-74.2-175.5179179.40106.7
155P40.8Very low41.7Very low91 Ų91147.4 Ų147.459%0.59179%0.787SS**  trans-71.9165.7177.530.4-34.3000111.3
156Y36Very low41.7Very low225 Ų225145.2 Ų145.288%0.88279%0.786SS**  trans75.778.8179.6-54.7-74.6000117.1
157S37.1Very low41.6Very low126 Ų126148.6 Ų148.688%0.88180%0.8SS**  trans-125.7135.7143.8-71.60000109.1
158K36.4Very low41.1Very low206 Ų206145.7 Ų145.790%0.89680%0.799SS**  trans-126.4150.7163.2-83.3-172.2174.7-177.30108.7
159P49.3Very low40.9Very low113 Ų113146 Ų14673%0.73481%0.805SS**  trans-100.3144.3-149.837.4-36.4000116
160T41.7Very low40.4Very low128 Ų128143.7 Ų143.779%0.78580%0.802SS**  trans30.2136.8138.864.60000121.7
161D38.7Very low39.9Very low136 Ų136140.5 Ų140.573%0.72781%0.809SS**  -142.6167.9122.9-131.8-42.1000112.7
162K44.6Very low39.6Very low179 Ų179138.5 Ų138.578%0.77881%0.805SS**  trans-89.2154-150.6-51.4150.6-164.681.40115.5
163K42Very low39.3Very low203 Ų203142.1 Ų142.188%0.88381%0.811SS**  -172.5150.6116.2-162.7147.4-174170.80114.3
164D37.5Very low39.5Very low137 Ų137141.7 Ų141.773%0.73381%0.809SS**  trans-77.3153.6-177.4-45.6-108.4000115.7
165S38.5Very low39.2Very low125 Ų125137.7 Ų137.787%0.87481%0.806SS**  -179.6156.1108.8-75.70000112
166S42.4Very low39.1Very low117 Ų117136.9 Ų136.982%0.81881%0.814SS**  trans-129.6149.8-17860.20000112.9
167S36.3Very low39.2Very low131 Ų131136.4 Ų136.492%0.91682%0.817SS**  trans-177.1153.9145.343.60000109.5
168G35.1Very low39.5Very low78 Ų78141.8 Ų141.880%0.80482%0.818SS**  trans-149.8160.4174.500000110.3
169V35.9Very low39.2Very low147 Ų147138 Ų13889%0.89181%0.812SS**  trans-146.8153.1174.267.70000109.3
170S38.2Very low38.9Very low111 Ų111138.9 Ų138.978%0.77682%0.817SS**  trans-128.4157.6-161.1-58.30000113.3
171A38.7Very low38.4Very low111 Ų111138.1 Ų138.192%0.91782%0.818SS**  trans66.8151.7174.900000116.2
172G34Very low38.3Very low65 Ų65136.6 Ų136.667%0.6782%0.824SS**  cis-176.5164.4-5.400000112.1
173E37.1Very low37.8Very low171 Ų171134.6 Ų134.680%0.79983%0.827SS**  trans38.2115.2165.961.8175.5120.200119.4
174K40.9Very low37.4Very low179 Ų179130.1 Ų130.178%0.77882%0.819SS**  173.1179.765.953.7-137.5165.3-163.60112
175S42.8Very low37.4Very low113 Ų113132 Ų13279%0.7982%0.824SS**  trans56.780.2170.357.90000118.5
176G39.2Very low37.9Very low74 Ų74130.2 Ų130.276%0.76381%0.809SS**  40.9110.8129.900000122.3
177F36.3Very low37.3Very low215 Ų215133.4 Ų133.494%0.94381%0.809SS**  -141.8140.8121.3-134.1-99.1000108.9
178R43.3Very low37.4Very low238 Ų238132.8 Ų132.890%0.89880%0.8SS**  trans-99.5148.9-179-91.2-165.2178.8-165.72.6112.2
179V31.8Very low37.8Very low127 Ų127134.7 Ų134.777%0.7780%0.798SS**  trans-53.7132.2175.8-179.30000111.8S181V179-S181 PolarHBondContact O-N 3.4Å
180P41.5Very low37.8Very low131 Ų131138.4 Ų138.485%0.85180%0.796SS**  trans-67.999.1162.6-18.432.7000110.7
181S32.2Very low37.7Very low113 Ų113139.4 Ų139.479%0.7980%0.797SS**  trans-111.7131155.4-179.20000107.2V179V179-S181 PolarHBondContact O-N 3.4Å
182A36.8Very low37.3Very low103 Ų103137.9 Ų137.985%0.85179%0.793SS**  trans-136.2119.8-178.300000109.9
183T34.3Very low37.4Very low138 Ų138139.9 Ų139.985%0.84780%0.796SS**  trans-124.9161.4164.7-160.50000109.3
184C33.8Very low37.6Very low108 Ų108137.7 Ų137.773%0.7380%0.797SS**  trans-65.3162.5-157-47.70000116
185Q35.9Very low37.3Very low178 Ų178135.6 Ų135.683%0.83279%0.794SS**  175.7-147.1101.7-75.8-153.70.400111.5
186P48.5Very low37Very low87 Ų87135.4 Ų135.457%0.56579%0.793SS**  -131.4-147.8-111.144.2-24.7000115.2
187F31.7Very low36.6Very low183 Ų183136.2 Ų136.280%0.80379%0.787SS**  trans78.5145.8177.8-55.2-81.5000116.3
188T37.7Very low36.4Very low118 Ų118132.3 Ų132.372%0.72478%0.781SS**  cis-160.2160.1-23.9150000108.5
189P43.8Very low35.8Very low119 Ų119126 Ų12677%0.77377%0.774SS**  trans-84.7148.9-175.634.3-34.9000114.2
190R36.4Very low35.7Very low225 Ų225124.5 Ų124.585%0.84978%0.775SS**  trans-141.9115.8164.9-69.7-16373.7-168.72.1113.6
191T34.7Very low35.4Very low131 Ų131123.6 Ų123.680%0.80477%0.771SS**  trans45.3108.9140.358.70000120.2
192G31.7Very low36Very low80 Ų80123.4 Ų123.483%0.82577%0.767SS**  trans-169.8111.4157.600000111
193S34.1Very low35.8Very low106 Ų106126.4 Ų126.474%0.74177%0.766SS**  trans-73.3159.5176-520000111.2
194P43Very low36.6Very low126 Ų126124.4 Ų124.482%0.81876%0.755SS**  -125.616099.536.7-33.6000113.7
195N33.3Very low36.6Very low134 Ų134124.5 Ų124.572%0.71776%0.757SS**  trans-86.5168175.7-57.4-10.8000110.8
196S36.8Very low36.3Very low110 Ų110125.1 Ų125.177%0.76976%0.76SS**  trans34.4139134.3-58.10000121.1
197S32Very low35.9Very low90 Ų90124.8 Ų124.863%0.62977%0.772SS**  cis-176.1160.91.5-94.40000109.2
198T30.6Very low35.9Very low134 Ų134125.5 Ų125.582%0.82278%0.775SS**  trans59.8149.2149.147.40000119.2
199S30.9Very low35.6Very low106 Ų106125.6 Ų125.674%0.74178%0.779SS**  cis-170.8176.6-4.542.20000109.8
200A30.9Very low35Very low95 Ų95123.3 Ų123.379%0.78578%0.778SS**  trans79.1108.6156.200000119.5
201S33.8Very low34.6Very low112 Ų112122.1 Ų122.178%0.78378%0.781SS**  trans-66.3-178.4139.5-37.50000110.1
202P44.8Very low35.1Very low109 Ų109127.1 Ų127.171%0.70879%0.786SS**  cis-148.3171.110.344.4-24.7000119.1
203M33.5Very low35.4Very low165 Ų165131 Ų13181%0.81379%0.788SS**  trans65.2-167.3145.7-59.9-99.380.100117.6
204P50.7Low35.4Very low96 Ų96132.7 Ų132.762%0.62378%0.784SS**  -138.7171.7-97.943-24.1000117
205S34.1Very low35.2Very low111 Ų111134.3 Ų134.378%0.77678%0.778SS**  trans-174.2134.6147.112.20000107.6
206E29.8Very low35.4Very low191 Ų191136.6 Ų136.689%0.89378%0.781SS**  cis67.3109.349.2-63.6-164.6-147.100113.1
207G39.2Very low35.1Very low80 Ų80138.2 Ų138.283%0.82578%0.777SS**  trans-110.2164-175.600000113.6
208K31.5Very low35.2Very low198 Ų198139.2 Ų139.286%0.86178%0.784SS**  trans-147141.3173.6-157.796177.4-172.90110.6
209C32.2Very low35.4Very low119 Ų119140.6 Ų140.680%0.80479%0.786SS**  trans-71.3161.9157.149.80000110.1
210G31.4Very low35.4Very low72 Ų72141.8 Ų141.874%0.74279%0.793SS**  cis142.3161.5600000108.8
211E27.6Very low35.6Very low199 Ų199144.5 Ų144.593%0.9379%0.794SS**  trans-146.7154.8-174.9-153.2162.9108.400112.5
212R45.1Very low35.6Very low237 Ų237148.2 Ų148.289%0.89480%0.796SS**  trans-151.6129173.7-87.7-161.5-175.1-160.75.5110.7
213D37.8Very low35.1Very low162 Ų162150.6 Ų150.687%0.86680%0.803SS**  trans-159.1160.6151.5-114.3-52.6000106.4
214E34.8Very low34.9Very low141 Ų141146.5 Ų146.566%0.65980%0.803SS**  cis-135.9-176.19.5-50.8172.260.200113.2
215K37.9Very low34Very low160 Ų160148.6 Ų148.670%0.69681%0.814SS**  trans77.7109.7147.2-77.8172.4179.41020121.1
216K38.5Very low33.9Very low181 Ų181147.7 Ų147.779%0.78781%0.813SS**  21.3144.7113.7-104.4-166.9143.9-1430118.5
217E31Very low34Very low145 Ų145146.5 Ų146.568%0.67881%0.813SS**  cis-161.5-169.912.265.6-166.3-18000113.3
218S33.2Very low33.6Very low110 Ų110145.6 Ų145.677%0.76980%0.804SS**  trans88.8134.4169.6-61.10000119.8
219D34Very low33.6Very low163 Ų163142.3 Ų142.387%0.87281%0.806SS**  trans-84.7145.6175.5-56-111.7000113.4
220C31.1Very low33.5Very low131 Ų131139.8 Ų139.889%0.88580%0.8SS**  -160.4151.2122.664.10000112.5
221N35.1Very low33.6Very low152 Ų152142.4 Ų142.481%0.81380%0.802SS**  trans-105.8145.7-179.9174.612.5000109.6
222K34.1Very low34.1Very low191 Ų191139.3 Ų139.383%0.8380%0.796SS**  trans154.9139.8132.4-174.2169.2-178-179.70114
223N34.3Very low33.4Very low159 Ų159132.6 Ų132.685%0.8579%0.786SS**  trans-65.8143.2172.5-604.3000112.2
224G29.2Very low33.4Very low79 Ų79133.1 Ų133.181%0.81478%0.783SS**  trans-156.5135.2170.900000112.1
225T32.6Very low33.6Very low139 Ų139132 Ų13285%0.85379%0.79SS**  trans-105.8151.4-176.2-54.40000110.6
226A31.6Very low34Very low92 Ų92135.6 Ų135.676%0.7680%0.799SS**  trans67154.9164.600000116.5
227D31.8Very low33.7Very low167 Ų167134.6 Ų134.689%0.89380%0.801SS**  cis-162.9169.2-29.1-153.2-40.6000106.7
228G30.8Very low33.7Very low60 Ų60133.3 Ų133.362%0.61981%0.808SS**  trans118.5118152.500000119.5
229S31.4Very low33.7Very low130 Ų130134.8 Ų134.891%0.90981%0.812SS**  trans83.5105.7134.2-154.70000122.2
230G30.8Very low34Very low65 Ų65132.9 Ų132.967%0.6781%0.812SS**  trans96121.6133.800000117
231T33.6Very low34.2Very low128 Ų128133 Ų13379%0.78581%0.812SS**  cis-175.8161.939.546.10000110.7
232T36.9Very low34.1Very low133 Ų133129.5 Ų129.582%0.81681%0.813SS**  trans65.6164.3170.4770000117.2
233S30.9Very low34.1Very low96 Ų96124 Ų12467%0.67181%0.81SS**  -166121.9-60.1-99.50000109.9
234H38.9Very low34.2Very low174 Ų174124.4 Ų124.481%0.80681%0.81SS**  trans31.9128.5155.4-48-78.1000119.7
235S38Very low34.6Very low117 Ų117128.4 Ų128.482%0.81881%0.813SS**  -156.3161.861-67.10000113.6
236R45.3Very low34.7Very low235 Ų235128.2 Ų128.289%0.88781%0.812SS**  trans-136.6147.5-177.4-51-162-62.7-126.19111.2
237I34Very low34.6Very low160 Ų160132.5 Ų132.582%0.82182%0.816SS**  trans-131.1106.8147.4-57.7-177.2000108.8V239I237-V239 HydrophobicContact CG2-CG1 4.39Å
238S30.1Very low34.7Very low118 Ų118130.8 Ų130.883%0.82581%0.811SS**  trans-137126.3155.7-52.90000105.1
239V33.3Very low34.5Very low142 Ų142134.5 Ų134.586%0.86182%0.816SS**  trans-99.6143.6-174.6-72.70000111I237I237-V239 HydrophobicContact CG2-CG1 4.39Å
240S39.2Very low34.6Very low123 Ų123135.8 Ų135.886%0.8681%0.808SS**  trans-151.1131.5-177.8175.90000110.6
241C36.3Very low34.5Very low132 Ų132140.4 Ų140.489%0.89281%0.812SS**  trans-168.7143.2160.552.70000106.7
242G32.6Very low34.3Very low80 Ų80140.9 Ų140.983%0.82581%0.805SS**  cis175.7153.2-10.400000106.8
243G34.9Very low33.8Very low75 Ų75142.7 Ų142.777%0.77380%0.804SS**  cis149.986.1000000111.2
244I36.6Very low33.7Very low168 Ų168142.9 Ų142.986%0.86281%0.812SS**  trans-159.9145.2152.639.1167.4000109.9
245N38.1Very low33.4Very low163 Ų163141 Ų14187%0.87281%0.813SS**  trans-129.5151.2156-96.4-83.1000106.4
246V32.7Very low33.6Very low135 Ų135141.3 Ų141.382%0.81881%0.812SS**  trans-179.9117.2139.4143.40000109.4
247E30.5Very low32.7Very low182 Ų182133.7 Ų133.785%0.8581%0.807SS**  trans47.9152137.2-141.2161.2115.700123.9
248V34.3Very low32.6Very low130 Ų130132 Ų13279%0.78880%0.804SS**  trans-97.5130.3175.2170.40000109.9
249N26.7Very low32.4Very low138 Ų138134.7 Ų134.774%0.73880%0.801SS**  trans-151179.4148.7-143-17.9000113
250Q32.3Very low32Very low157 Ų157133.8 Ų133.873%0.73480%0.796SS**  trans-105.1165.5-155.1-61.7154.682.300114.6
251H28.5Very low31.4Very low162 Ų162132.4 Ų132.475%0.7579%0.786SS**  trans81.6120.2145.1-107.246.4000121.4
252Q29.8Very low31.2Very low138 Ų138131.4 Ų131.465%0.64578%0.781SS**  91.5111.7121.1-155.516023.600122
253E27.2Very low31Very low171 Ų171132.8 Ų132.880%0.79978%0.778SS**  trans69.3173.3146.4-76.7-178.181.500122.7
254A29.1Very low30.8Very low101 Ų101134.6 Ų134.684%0.83578%0.778SS**  trans78.196.7175.800000119.8
255T32.1Very low30.6Very low135 Ų135130.6 Ų130.683%0.82877%0.765SS**  trans-76.5-179.9146.250.40000109.7
256P42.1Very low30.3Very low123 Ų123127.7 Ų127.780%0.79976%0.758SS**  cis-142.3-17818.343.1-22.4000117.9
257G27.1Very low30.2Very low75 Ų75128.2 Ų128.277%0.77375%0.751SS**  trans-176.540.7-17800000121.3
258T31.2Very low30.4Very low124 Ų124125.2 Ų125.276%0.76175%0.751SS**  trans-18.6149.91546.20000118.6
259K26.7Very low30.2Very low175 Ų175123.6 Ų123.676%0.76175%0.745SS**  cis-149.6152.121.9-75.7173.6-171.9173.10109.9
260T25.1Very low30.7Very low122 Ų122122.1 Ų122.175%0.74875%0.746SS**  50.8147.669.284.80000115
261S26.1Very low31.1Very low95 Ų95120.7 Ų120.766%0.66475%0.748SS**  cis-166.6145.312.710.40000107.2
262S30.7Very low31.3Very low111 Ų111119 Ų11978%0.77675%0.749SS**  66.1114.759.7780000117.3
263S29.7Very low31.4Very low108 Ų108117.1 Ų117.176%0.75575%0.751SS**  trans177.6116.6157.554.60000111.4
264S29.7Very low31.5Very low113 Ų113115.2 Ų115.279%0.7975%0.75SS**  82.916695.380.20000114.2
265S32.3Very low31.8Very low84 Ų84115.3 Ų115.359%0.58775%0.745SS**  cis-152.2136.413.647.40000110
266S33Very low32Very low103 Ų103114.5 Ų114.572%0.7275%0.745SS**  89169.695.5-550000112.2
267E30.2Very low31.6Very low145 Ų145112.9 Ų112.968%0.67874%0.742SS**  cis-137.4128.435.5-49.5-51.9144.700116.5
268S33.4Very low31.8Very low119 Ų119114.9 Ų114.983%0.83274%0.744SS**  trans60.1154.5138.877.20000121.9
269S31.3Very low31.8Very low97 Ų97115.5 Ų115.568%0.67875%0.747SS**  cis-140.9133.313.760.10000111.7
270S37Very low32.3Very low107 Ų107115.4 Ų115.475%0.74875%0.754SS**  74.3130.2101.188.10000114.5
271V39.8Very low32.5Very low127 Ų127113.3 Ų113.377%0.7776%0.757SS**  cis-149.2176.29.2-660000108.3
272T33.9Very low33.4Very low127 Ų127115.3 Ų115.378%0.77977%0.771SS**  cis-158.4-176.6-4.7-1.60000105.9
273S31.6Very low33.4Very low98 Ų98113.6 Ų113.669%0.68577%0.77SS**  cis-166.2150.2-134.50000110.8
274V29.2Very low33.9Very low130 Ų130116.6 Ų116.679%0.78878%0.777SS**  trans43.982.6150.7-166.10000120
275S35.2Very low34Very low104 Ų104117.7 Ų117.773%0.72778%0.779SS**  49.8125.8109.1-45.90000124.3
276S36.1Very low34.1Very low118 Ų118117.6 Ų117.683%0.82578%0.783SS**  122131.3119.1-75.30000121.7
277A33.3Very low34.5Very low88 Ų88119 Ų11973%0.72779%0.789SS**  trans73.198.5142.400000122.6
278S32.1Very low34.6Very low118 Ų118118.8 Ų118.883%0.82580%0.798SS**  46.6154112.8-50.70000124.4
279V31.8Very low34.7Very low137 Ų137118.1 Ų118.183%0.8379%0.793SS**  trans107.9145.4156-174.20000117.3
280L37.7Very low35.4Very low173 Ų173119.4 Ų119.491%0.90680%0.799SS**  trans-47.2157.1-179-53.9166.5000116.5
281G29.4Very low35.2Very low77 Ų77124.3 Ų124.379%0.79480%0.803SS**  trans179.9118.6158.400000114.9
282S43.5Very low35.1Very low138 Ų138128 Ų12897%0.96581%0.808SS**  trans-84.9136.3156.4-65.70000109
283G31.1Very low35.6Very low74 Ų74127.5 Ų127.576%0.76381%0.807SS**  trans-157.2152.1-178.400000112.1
284L39.8Very low35.9Very low172 Ų172126.1 Ų126.190%0.90181%0.809SS**  trans-102.1176.7-175.5-65.8169.5000111.9
285V32.3Very low36.4Very low136 Ų136128.1 Ų128.182%0.82481%0.81SS**  trans91.2106.7158.5-171.30000118.4
286A33.6Very low36.4Very low81 Ų81128.8 Ų128.867%0.66981%0.809SS**  trans43.6137138.600000123.1
287P42.2Very low36.6Very low133 Ų133129.7 Ų129.786%0.86481%0.81SS**  trans-78.9135.1163.833.6-32.5000111.7
288V33.3Very low37.1Very low140 Ų140133.7 Ų133.785%0.84881%0.811SS**  trans-95.5129.2172.2176.90000110
289S33.7Very low38Very low106 Ų106133.8 Ų133.874%0.74181%0.809SS**  trans-106.1128.5171.4-168.90000110.3
290P46.3Very low38.1Very low124 Ų124134.2 Ų134.281%0.80581%0.805SS**  trans-84.1136.7-173.231.5-34.1000114.3
291Y33.8Very low39.3Very low210 Ų210131.4 Ų131.482%0.82480%0.798SS**  trans-73.6158175.3-95.4-105.3000114.5
292K37.2Very low40.4Very low204 Ų204133.4 Ų133.489%0.88780%0.797SS**  -160.9153.4120.6-111.6163.1-178.8176.80115.3
293P45.4Very low40.1Very low116 Ų116131.9 Ų131.975%0.75379%0.792SS**  trans-136-179-164.143.4-25.6000117.2
294G37Very low40Very low70 Ų70132 Ų13272%0.72279%0.794SS**  trans118.8152.4162.700000115.5
295Q38.8Very low40.3Very low172 Ų172132.9 Ų132.980%0.80480%0.796SS**  cis-152.3140.73-86.4-7815.400112.6
296T37Very low40.1Very low117 Ų117133 Ų13372%0.71880%0.797SS**  trans20.6145.4149.557.40000125.9
297V39.8Very low40Very low138 Ų138139.5 Ų139.584%0.83681%0.806SS**  -173.3158.7105.1150.50000111.9
298F43.1Very low40.3Very low172 Ų172138.7 Ų138.775%0.75480%0.8SS**  trans-88.5-178.8-176.8-107.8-118000113.5L300F298-L300 HydrophobicContact CE1-CD1 3.97Å
299P50.8Low40.1Very low119 Ų119135.4 Ų135.477%0.77380%0.795SS**  cis-134.3-151.812.542-20.4000116.4
300L34.4Very low40.4Very low146 Ų146136.2 Ų136.276%0.76480%0.801SS**  trans-110.1-138.1-164.8-67.3141.1000115.5F298F298-L300 HydrophobicContact CE1-CD1 3.97Å
301P63.2Low39.9Very low115 Ų115138.6 Ų138.675%0.74781%0.806SS**  -118.9-156.3-120.142.8-22.1000113
302P52.6Low40Very low119 Ų119133.4 Ų133.477%0.77381%0.806SS**  cis-141.9-155.40.445.5-24.3000116.3
303A36.2Very low39.8Very low105 Ų105127.8 Ų127.887%0.86881%0.807SS**  trans79.9143.2163.100000119.3
304G30.2Very low39.2Very low78 Ų78126.6 Ų126.680%0.80481%0.807SS**  cis-164.5171.2-1.600000113.7
305M45.7Very low39Very low189 Ų189134.8 Ų134.893%0.93182%0.817SS**  trans-84.6148-176.9-65.7168.558.300113.4
306T28.6Very low38.8Very low140 Ų140131.1 Ų131.186%0.85982%0.817SS**  trans-174.1140.9144.6-82.80000112
307Y30.4Very low38.6Very low217 Ų217128.8 Ų128.885%0.85182%0.816SS**  trans-98.7146.7163.8-136.6-109.3000106.2
308P48.5Very low38.2Very low115 Ų115133.7 Ų133.775%0.74782%0.821SS**  -156.1-158.450.744.4-23000114.9
309G30.1Very low38.4Very low72 Ų72130.1 Ų130.174%0.74282%0.815SS**  trans119.1123.6136.500000117.3
310S38.8Very low37.6Very low122 Ų122132.6 Ų132.685%0.85382%0.816SS**  trans-99125.6173.5-54.30000112
311L35.4Very low37.6Very low174 Ų174132.7 Ų132.791%0.91181%0.812SS**  trans-152.3148.5161.9-66.4177.2000107.4
312A37.2Very low36Very low101 Ų101136.8 Ų136.884%0.83582%0.819SS**  cis-157.6154.9-24.800000107.4
313G32.7Very low35.4Very low87 Ų87137.8 Ų137.890%0.89782%0.817SS**  trans-172.555.9-17500000113.4
314A33.5Very low35.6Very low91 Ų91138.4 Ų138.475%0.75281%0.812SS**  trans-98.4147.3-17200000113.3
315Y31.8Very low35.8Very low241 Ų241142.8 Ų142.895%0.94581%0.811SS**  trans-145.9157.4139.9-115.6-83.8000109.4
316A35.5Very low35Very low96 Ų96137.9 Ų137.979%0.79381%0.809SS**  trans-73.8165.1-16700000114.3
317G32.2Very low35.1Very low67 Ų67135.3 Ų135.369%0.69181%0.811SS**  cis109.4115.7-1.100000114.7
318Y30.1Very low35.1Very low241 Ų241130.3 Ų130.395%0.94581%0.807SS**  trans-169.1164.4154.4-124.4-114.2000109.8
319P48.7Very low34.5Very low97 Ų97132.1 Ų132.163%0.6381%0.81SS**  trans-116.4-178.9-149.443.5-36.5000119.2
320Q33.9Very low34.9Very low172 Ų172136.1 Ų136.180%0.80482%0.82SS**  trans-55.8145.5175.7-85.7-83.319.100117.5
321H33.3Very low34.4Very low148 Ų148138 Ų13869%0.68582%0.82SS**  trans-151.4144.7156.8-69.9-74.5000114.4
322F30.2Very low34.4Very low201 Ų201132.7 Ų132.788%0.88280%0.801SS**  trans76.4108.8163.4-64.8-68.3000123.1
323L39.6Very low34.2Very low140 Ų140136.8 Ų136.873%0.73380%0.803SS**  trans-91.2156.9141.6-78.8141.9000109.3
324P41.2Very low34.4Very low118 Ų118140.9 Ų140.977%0.76680%0.804SS**  -135.8149.195.834.1-20.5000112.6
325H35.3Very low34.5Very low170 Ų170140.9 Ų140.979%0.78780%0.803SS**  73.811752.5-83.384.4000116.2
326G27.7Very low34.5Very low86 Ų86135.3 Ų135.389%0.88780%0.8SS**  trans111.6132.2147.800000117.8
327G30.1Very low34.4Very low86 Ų86136.5 Ų136.589%0.88780%0.803SS**  trans149.1102.2170.600000112.7
328S30.3Very low34.8Very low111 Ų111142.1 Ų142.178%0.77682%0.816SS**  trans-129.6174.9-175.9-170.20000111.6
329L36.9Very low34.8Very low153 Ų153133.9 Ų133.980%0.80180%0.804SS**  trans75.9111.1171.9-44177.7000116.3
330V37.6Very low34.1Very low157 Ų157135.9 Ų135.995%0.95282%0.819SS**  -163.6178.197.3-86.70000110.4
331N30Very low34Very low160 Ų160133.4 Ų133.486%0.85682%0.82SS**  trans-98172.9-161.2-171.122.8000114.4
332A33.7Very low34Very low64 Ų64136.3 Ų136.353%0.52983%0.831SS.*  trans95.8106.4154.700000120.3
333Q34.4Very low34.3Very low186 Ų186131.7 Ų131.787%0.86983%0.83SS**  51.796.4127.6-58.8173.3-91.500119.9
334L36.6Very low34Very low174 Ų174128.7 Ų128.791%0.91183%0.833SS**  -163.5145.2102-154.171.7000110.5
335A34.5Very low33.8Very low90 Ų90128.9 Ų128.974%0.74484%0.838SS**  trans-122.4121.2174.800000110.9
336S32.8Very low34Very low125 Ų125125.6 Ų125.687%0.87483%0.834SS**  trans-163118.6156.7-85.60000111.4
337S34.2Very low34.9Very low121 Ų121127.2 Ų127.285%0.84683%0.828SS**  trans-62.4128.8-171.2-46.20000115.7
338L39.3Very low35.8Very low184 Ų184131 Ų13196%0.96383%0.828SS**  trans-151.7116.8142-79.5-171.7000109.4
339G30.5Very low36.2Very low69 Ų69130.5 Ų130.571%0.71183%0.83SS**  trans152.17917300000116.1S341G339-S341 PolarHBondContact O-N 3.22Å
340C33.1Very low36.6Very low139 Ų139127.5 Ų127.594%0.93984%0.836SS**  trans-96.686.1174.9-65.80000111.9
341S32.2Very low36.7Very low119 Ų119124.5 Ų124.583%0.83283%0.827SS**  trans-94.6101.5177.1-71.50000112.8G339G339-S341 PolarHBondContact O-N 3.22Å
342K35Very low37.3Very low209 Ų209122.7 Ų122.791%0.90983%0.828SS**  trans25.495.6151.1-169.4175.2179.4174.60118.7
343A36.3Very low37.7Very low104 Ų104125.1 Ų125.186%0.8684%0.838SS**  trans-151.8153.7145.900000108.7
344G33.4Very low38.4Very low78 Ų78121.6 Ų121.680%0.80483%0.831SS**  cis153.775.6-5.800000113.1
345S35.8Very low39Very low122 Ų122119.2 Ų119.285%0.85383%0.829SS**  trans-151.2119.2176.856.60000112.4
346S38.8Very low39.7Very low101 Ų101121.7 Ų121.771%0.70683%0.828SS**  trans-98.1154.5163179.40000108.9
347P47.9Very low40.7Very low119 Ų119124.7 Ų124.777%0.77383%0.831SS**  -134.7161.9119.837.6-29.7000113.8
348L47.9Very low41.2Very low167 Ų167123.9 Ų123.987%0.87483%0.825SS**  trans-76.8124.3169.3-80.161.9000110
349A38.6Very low41.6Very low100 Ų100118.7 Ų118.783%0.82681%0.809SS**  trans-157.4132.3153.900000109.3
350G46.4Very low42.6Very low90 Ų90121.5 Ų121.593%0.92882%0.817SS**  trans-91.7114.6176.500000111.6
351A38.6Very low43.7Very low93 Ų93120.2 Ų120.277%0.76980%0.801SS**  trans-151.8128.616700000110
352S42.4Very low44.8Very low123 Ų123118 Ų11886%0.8678%0.784SS**PPolyproline II helixtrans-85.2131.7-179.8-54.90000112
353P44.1Very low45.9Very low115 Ų115119 Ų11975%0.74778%0.782SS**PPolyproline II helixtrans-77.2162154.70.118.5000110.6
354P48.7Very low46.9Very low111 Ų111118.1 Ų118.172%0.72176%0.763SS**PPolyproline II helixtrans-87.2149.6-157.232.8-37000115.8I356P354-I356 PolarHBondContact O-N 2.83Å; P354-I356 VanDerWaalsContact O-N 3.15Å
355S48.9Very low48.2Very low124 Ų124119.9 Ų119.987%0.86776%0.76SS**  trans-69.399.5161.4-64.80000110.8
356I48Very low49.1Very low143 Ų143123.5 Ų123.573%0.73376%0.757SS**  trans-84.9115.1163.652.5171.1000110P354 S358P354-I356 PolarHBondContact O-N 2.83Å; P354-I356 VanDerWaalsContact O-N 3.15Å; I356-S358 PolarHBondContact O-N 3.01Å; I356-S358 VanDerWaalsContact O-N 3.14Å
357M54Low50Low187 Ų187122 Ų12292%0.92175%0.745SS**  trans-77.892.8176.5-72.8173.556.300110.7
358S44.7Very low50.6Low104 Ų104124.1 Ų124.173%0.72775%0.749SS**  trans-144.6120.2171.1-65.30000111.5I356I356-S358 PolarHBondContact O-N 3.01Å; I356-S358 VanDerWaalsContact O-N 3.14Å
359A48.9Very low50.7Low75 Ų75121.7 Ų121.762%0.6275%0.746SS**  trans40.696.8164.500000117.1L361A359-L361 HydrophobicContact CB-CD2 4.38Å; A359-L361 HydrophobicContact CB-CG 4Å; A359-L361 PolarHBondContact O-N 3.32Å
360S51Low51Low128 Ų128127.6 Ų127.690%0.89575%0.749SS**  trans-67.271.3157.855.80000110.4C362S360-C362 PolarHBondContact O-N 3.34Å
361L57.1Low50.9Low113 Ų113131.5 Ų131.559%0.59274%0.743SS**  trans-57.8126.7178.6-72.2165.4000109.5A359 R363A359-L361 HydrophobicContact CB-CD2 4.38Å; A359-L361 HydrophobicContact CB-CG 4Å; A359-L361 PolarHBondContact O-N 3.32Å; L361-R363 WeakPolarHBondContact O-CD 3.34Å; L361-R363 PolarHBondContact O-NH1 2.95Å
362C55Low50.8Low72 Ų72132.2 Ų132.249%0.48674%0.741SS.*  trans-48.3132.2-164.2-169.10000112.8S360 D364 C367S360-C362 PolarHBondContact O-N 3.34Å; C362-D364 VanDerWaalsContact C-N 3.32Å; C362-D364 VanDerWaalsContact SG-CB 3.55Å; C362-C367 HydrophobicContact CB-CB 3.54Å; C362-C367 WeakPolarHBondContact CB-SG 3.4Å; C362-C367 WeakPolarHBondContact SG-CB 3.17Å; C362-C367 CovalentContact SG-SG 2.04Å; C362-C367 PolarHBondContact SG-SG 2.95Å
363R56.7Low50.9Low230 Ų230131.1 Ų131.187%0.86874%0.739SS**  trans-95.519.4178.1-110.463.8170.9-176-2113.2L361L361-R363 WeakPolarHBondContact O-CD 3.34Å; L361-R363 PolarHBondContact O-NH1 2.95Å
364D57.2Low50.5Low86 Ų86131 Ų13146%0.4674%0.741SS.*  trans-96.5128177.4-170.1-34.8000109.9C362 Y366 C367C362-D364 VanDerWaalsContact C-N 3.32Å; C362-D364 VanDerWaalsContact SG-CB 3.55Å; D364-Y366 PolarHBondContact O-N 2.89Å; D364-Y366 VanDerWaalsContact O-N 3.13Å; D364-Y366 PolarHBondContact OD1-N 2.97Å; D364-C367 HydrophobicContact CB-CB 4.09Å; D364-C367 WeakPolarHBondContact O-CB 3.46Å; D364-C367 PolarHBondContact O-N 3.08Å
365P61.7Low50.1Low114 Ų114134.3 Ų134.374%0.7475%0.746SS**THydrogen-bonded Turntrans-62.9-11175.626.4-34.9000115
366Y53.6Low49.5Very low199 Ų199137 Ų13778%0.7875%0.75SS**THydrogen-bonded Turntrans-108.59.1179.7-57.6-74000114.3D364 L368D364-Y366 PolarHBondContact O-N 2.89Å; D364-Y366 VanDerWaalsContact O-N 3.13Å; D364-Y366 PolarHBondContact OD1-N 2.97Å; Y366-L368 PolarHBondContact O-N 3.45Å
367C58.8Low48.9Very low69 Ų69134.7 Ų134.747%0.46675%0.753SS.*  trans-74.779.9-174.3-124.20000113.1C362 D364 S369C362-C367 HydrophobicContact CB-CB 3.54Å; C362-C367 WeakPolarHBondContact CB-SG 3.4Å; C362-C367 WeakPolarHBondContact SG-CB 3.17Å; C362-C367 CovalentContact SG-SG 2.04Å; C362-C367 PolarHBondContact SG-SG 2.95Å; D364-C367 HydrophobicContact CB-CB 4.09Å; D364-C367 WeakPolarHBondContact O-CB 3.46Å; D364-C367 PolarHBondContact O-N 3.08Å; C367-S369 VanDerWaalsContact C-N 3.29Å; C367-S369 PolarHBondContact O-N 2.74Å; C367-S369 VanDerWaalsContact O-N 3.13Å
368L59.9Low47.8Very low163 Ų163129.2 Ų129.285%0.85374%0.744SS**  trans-82.324.2-168.9-126.578.4000116.5Y366Y366-L368 PolarHBondContact O-N 3.45Å
369S50.2Low47.2Very low116 Ų116129.5 Ų129.581%0.81175%0.753SS**  trans-119.3109.7-174.8-66.10000112.6C367C367-S369 VanDerWaalsContact C-N 3.29Å; C367-S369 PolarHBondContact O-N 2.74Å; C367-S369 VanDerWaalsContact O-N 3.13Å
370Y46Very low46.5Very low224 Ų224130.9 Ų130.988%0.87876%0.764SS**  trans-81.3139.5178.5-84.5-101.4000113.3
371H43.3Very low45.4Very low173 Ų173128 Ų12880%0.80175%0.754SS**  -163.5129.3126.9-113.468.9000112.6
372C35.8Very low44.2Very low107 Ų107127.3 Ų127.372%0.72377%0.765SS**  trans166.589.8143-970000109.6
373A45.2Very low43Very low101 Ų101130.6 Ų130.684%0.83578%0.783SS**  trans-87.4110.1163.400000108.6
374S35Very low41.7Very low112 Ų112125 Ų12578%0.78378%0.778SS**  trans-112.3111.9175.1-65.30000109.7
375H41.3Very low40.4Very low180 Ų180128.2 Ų128.283%0.83380%0.801SS**  trans-62.7137.2174.6-84.3-134.2000111.3
376L35.2Very low39Very low180 Ų180131 Ų13194%0.94280%0.804SS**  trans-147.373.3147.6-163.764.2000110.9
377A35.6Very low37.7Very low96 Ų96127.3 Ų127.379%0.79380%0.798SS**  trans-96131.8163.900000108.8
378G31Very low36.4Very low72 Ų72129.2 Ų129.274%0.74281%0.812SS**  trans-173.7121.2178.200000113.6
379A32.3Very low34.9Very low109 Ų109126.5 Ų126.590%0.90181%0.813SS**  trans61.2136.9179.500000116.1
380A34.4Very low34Very low104 Ų104125.7 Ų125.786%0.8681%0.813SS**  cis-157.2166.1-10.800000107.7
381G28.4Very low33.7Very low67 Ų67120.3 Ų120.369%0.69182%0.815SS**  cis163.8138.7-5.600000110.8
382A31.7Very low33.1Very low100 Ų100116.5 Ų116.583%0.82681%0.813SS**  trans64.4153.4-177.100000115.5
383T30Very low33Very low140 Ų140116 Ų11686%0.85982%0.817SS**  cis-142.5163.6-0.5-25.70000109.8
384C29.4Very low32.8Very low112 Ų112115.6 Ų115.676%0.75781%0.814SS**  trans-102.8148.9-179.452.20000114.1
385T30.3Very low32.8Very low155 Ų155116.2 Ų116.295%0.95182%0.818SS**  trans-158.7169158.514.40000110.5
386H31.4Very low32.4Very low172 Ų172112.2 Ų112.280%0.79682%0.816SS**  trans-100.5162.3-163.4-127.3-94.6000115
387D26.1Very low32.7Very low121 Ų121111.7 Ų111.765%0.64781%0.814SS**  trans62124.4150.9-108.2-93.5000123.4
388S32.3Very low33Very low110 Ų110116.9 Ų116.977%0.76982%0.818SS**  trans39.591.3134.6-53.10000120.4
389A28.9Very low33Very low105 Ų105119.1 Ų119.187%0.86882%0.822SS**  trans-144.9140.8148.600000112.6
390A31Very low32.9Very low100 Ų100119 Ų11983%0.82682%0.815SS**  trans-54.8159-168.600000117.8
391A39.3Very low32.7Very low110 Ų110125 Ų12591%0.90982%0.817SS**  trans-57.1133.7171.100000113.2
392A30.6Very low34.1Very low93 Ų93126.6 Ų126.677%0.76982%0.815SS**  trans-148.5151.5167.500000111
393A34.5Very low34.3Very low97 Ų97129.1 Ų129.180%0.80281%0.814SS**  trans61.445.8166.200000118.4
394A39.3Very low34.5Very low93 Ų93129.2 Ų129.277%0.76981%0.806SS**SBendtrans-74.5142.5134.300000108.4
395S36Very low34.8Very low124 Ų124133.7 Ų133.787%0.86781%0.809SS**  trans68.385.2178.3-56.60000117.1
396A32Very low35.7Very low96 Ų96130.9 Ų130.979%0.79379%0.793SS**  trans-128.671.9163.200000111.3K398A396-K398 PolarHBondContact O-N 2.85Å
397L41.3Very low35.6Very low170 Ų170127.7 Ų127.789%0.8979%0.786SS**  trans-85.696.1174.1-70.4175.5000110.9
398K43.1Very low36.2Very low204 Ų204130.1 Ų130.189%0.88779%0.793SS**  trans45.4110.3156.4-63.8174.1175.6175.50118.6A396A396-K398 PolarHBondContact O-N 2.85Å
399S31.7Very low37.1Very low119 Ų119129.5 Ų129.583%0.83279%0.787SS**  160.7128.9116.5-167.60000114.8
400S30Very low37.4Very low106 Ų106131.1 Ų131.174%0.74178%0.779SS**  trans23.7108146.1-168.50000123.5
401Y30Very low37.7Very low232 Ų232134.9 Ų134.991%0.9178%0.779SS**  trans68.3155.7144.9-111.4-118.3000120.6
402P57Low37.5Very low99 Ų99132.7 Ų132.764%0.64377%0.767SS**  trans-123.6170.4-154.243.5-32.3000117.1
403L36.7Very low37.7Very low153 Ų153134.9 Ų134.980%0.80177%0.771SS**  trans-173.1146.3134.8-101167.9000113.1
404M34.6Very low37.8Very low143 Ų143138.8 Ų138.870%0.70477%0.772SS**  trans57.5119.7159.1-62.8-63.7103.300124
405Y34.9Very low37.6Very low205 Ų205138.8 Ų138.880%0.80477%0.767SS**  trans7.8157.9135.4-76.8-102.3000122.1
406P48Very low37.4Very low97 Ų97140.2 Ų140.263%0.6377%0.77SS**  cis-150.2162.2-37.242-22.8000118.7
407T31.1Very low37.7Very low105 Ų105140 Ų14064%0.64477%0.768SS**  trans69.1132.1140.247.60000127
408H38.7Very low37.8Very low171 Ų171137.2 Ų137.279%0.79276%0.761SS**  trans80.8156.3135-69-26.1000122.6
409P50.5Low37.3Very low98 Ų98133.5 Ų133.564%0.63676%0.76SS**  cis-144.7-166.2-35.440.5-21000115.4
410I35.3Very low37.7Very low138 Ų138137.6 Ų137.671%0.70876%0.763SS**  trans63.2148.7159.664.7169.4000120.5
411H37.4Very low37.9Very low180 Ų180137.9 Ų137.983%0.83377%0.765SS**  cis-144.5167.6-1.3-107.7-51.8000110.1
412G35.1Very low38.2Very low64 Ų64130.3 Ų130.366%0.6676%0.758SS**  trans-173.7156165.600000113.9
413V34Very low37.5Very low138 Ų138133.7 Ų133.784%0.83677%0.765SS**  trans-156.2130.9171.7-88.50000111.9
414H37.2Very low38Very low179 Ų179132 Ų13283%0.82976%0.763SS**  trans38.3154.7144.2-77-127.4000123.4
415S35.2Very low38.4Very low94 Ų94132.2 Ų132.266%0.65777%0.766SS**  cis176.3101.8-32.4-98.80000109.7
416T32.1Very low38.4Very low153 Ų153132.3 Ų132.394%0.93977%0.767SS**  trans-164.4142.4157.214.70000112
417A38.1Very low38.5Very low91 Ų91133.2 Ų133.275%0.75277%0.773SS**  trans-115.3161.5167.200000107.6
418P42.7Very low38.8Very low113 Ų113138.2 Ų138.273%0.73478%0.781SS**  cis-130.8128.725.736.5-18.2000116.2
419S32.8Very low39.2Very low126 Ų126134 Ų13488%0.88178%0.784SS**  trans-96.1107.4165.6-58.80000110.1
420F40.2Very low38.8Very low205 Ų205137.9 Ų137.990%0.89979%0.791SS**  trans-69.4138.9166.9-96.7-87.6000110.4G422F420-G422 PolarHBondContact O-N 2.97Å
421S35.2Very low39.2Very low111 Ų111139.4 Ų139.478%0.77680%0.797SS**  trans-76.3110.8-166.754.90000113.8
422G34.9Very low39.8Very low74 Ų74135.3 Ų135.376%0.76378%0.781SS**  trans-78.1127.8163.100000111.5F420F420-G422 PolarHBondContact O-N 2.97Å
423H43Very low40.4Very low170 Ų170138.6 Ų138.679%0.78779%0.791SS**  trans-86.2128.4-177.7-136.4-82.5000111L425H423-L425 VanDerWaalsContact C-N 3.3Å; H423-L425 PolarHBondContact O-N 2.94Å
424P47.7Very low40.9Very low117 Ų117136 Ų13676%0.7677%0.772SS**THydrogen-bonded Turntrans-84.837.4-159.834.7-39.7000115.7
425L42.8Very low41.5Very low148 Ų148132.9 Ų132.978%0.77576%0.762SS**THydrogen-bonded Turntrans-138.425.4-172.5-75.3178.9000116.6H423H423-L425 VanDerWaalsContact C-N 3.3Å; H423-L425 PolarHBondContact O-N 2.94Å
426Y34.7Very low42.8Very low207 Ų207133.8 Ų133.881%0.81277%0.765SS**  trans-141.5113168.4-112.6-84.5000113.6Y428Y426-Y428 HydrophobicContact CD1-CD2 4.44Å; Y426-Y428 PolarHBondContact O-N 3.05Å
427P48.8Very low44.2Very low116 Ų116128.5 Ų128.575%0.75373%0.731SS**  trans-9379.5-178.135.9-34000112.5
428Y39.4Very low46Very low209 Ų209129.2 Ų129.282%0.8273%0.728SS**  trans-133.167.8168.6-90.6-78.4000111.9Y426 F430Y426-Y428 HydrophobicContact CD1-CD2 4.44Å; Y426-Y428 PolarHBondContact O-N 3.05Å; Y428-F430 PolarHBondContact O-N 3.41Å
429G45.1Very low48Very low82 Ų82126.4 Ų126.485%0.84571%0.705SS**  trans-81.889175.900000113
430F42.8Very low50.8Low180 Ų180123.2 Ų123.279%0.78968%0.68SS**  trans-146.438158.1-148.7-101.9000113.8Y428 L432Y428-F430 PolarHBondContact O-N 3.41Å; F430-L432 HydrophobicContact CD1-CD1 3.98Å; F430-L432 HydrophobicContact CD2-CD1 4.4Å; F430-L432 HydrophobicContact CE1-CD1 3.5Å; F430-L432 VanDerWaalsContact CE1-CD1 3.5Å; F430-L432 HydrophobicContact CE2-CD1 3.97Å; F430-L432 HydrophobicContact CG-CD1 4.42Å; F430-L432 HydrophobicContact CZ-CD1 3.49Å; F430-L432 VanDerWaalsContact CZ-CD1 3.49Å; F430-L432 PolarHBondContact O-N 2.93Å
431M44.8Very low53.4Low171 Ų171113.7 Ų113.784%0.84264%0.639SS**  trans-82.691.5162.4-72.1-106.159.800108.6
432L48.3Very low56Low93 Ų93114.3 Ų114.349%0.48763%0.633SS.*  trans-59.5155.6158.5-93.471.1000109.1F430 N434F430-L432 HydrophobicContact CD1-CD1 3.98Å; F430-L432 HydrophobicContact CD2-CD1 4.4Å; F430-L432 HydrophobicContact CE1-CD1 3.5Å; F430-L432 VanDerWaalsContact CE1-CD1 3.5Å; F430-L432 HydrophobicContact CE2-CD1 3.97Å; F430-L432 HydrophobicContact CG-CD1 4.42Å; F430-L432 HydrophobicContact CZ-CD1 3.49Å; F430-L432 VanDerWaalsContact CZ-CD1 3.49Å; F430-L432 PolarHBondContact O-N 2.93Å; L432-N434 PolarHBondContact O-N 2.95Å
433P47.9Very low58.6Low134 Ų134114.7 Ų114.787%0.8761%0.612SS**  trans-65.569.4163.1-1832.9000111.2D435P433-D435 PolarHBondContact O-N 3.12Å; P433-D435 VanDerWaalsContact O-N 3.13Å
434N45.2Very low60.6Low83 Ų83111.5 Ų111.544%0.44460%0.604SS.*  trans-73.498.6164.7-100.7-126.1000107.4L432 R453L432-N434 PolarHBondContact O-N 2.95Å; N434-R453 PolarHBondContact OD1-NH1 3.04Å
435D49.9Very low62.4Low114 Ų114107.4 Ų107.461%0.6158%0.578SS**  trans-34.7129.8150.3-178.924.9000109.6P433 L437P433-D435 PolarHBondContact O-N 3.12Å; P433-D435 VanDerWaalsContact O-N 3.13Å; D435-L437 HydrophobicContact CB-CD1 3.67Å; D435-L437 VanDerWaalsContact O-CD1 3.29Å; D435-L437 WeakPolarHBondContact O-CD1 3.38Å; D435-L437 PolarHBondContact O-N 2.98Å; D435-L437 VanDerWaalsContact OD2-CD1 3.24Å; D435-L437 WeakPolarHBondContact OD2-CD1 3.47Å
436P62.3Low63.9Low112 Ų112105.5 Ų105.573%0.72758%0.584SS**  trans-74.362.4-172.830.3-38.1000113.1P438P436-P438 VanDerWaalsContact O-CD 3.24Å; P436-P438 WeakPolarHBondContact O-CD 3.5Å; P436-P438 VanDerWaalsContact O-N 3.08Å
437L62.3Low65.9Low43 Ų43103.3 Ų103.323%0.22559%0.586CS.*  trans-52.6110.6170.5-84.865.3000109D435 H439D435-L437 HydrophobicContact CB-CD1 3.67Å; D435-L437 VanDerWaalsContact O-CD1 3.29Å; D435-L437 WeakPolarHBondContact O-CD1 3.38Å; D435-L437 PolarHBondContact O-N 2.98Å; D435-L437 VanDerWaalsContact OD2-CD1 3.24Å; D435-L437 WeakPolarHBondContact OD2-CD1 3.47Å; L437-H439 PolarHBondContact O-N 3.33Å; L437-H439 VanDerWaalsContact O-N 3.09Å
438P75.1Confident67.6Low105 Ų10599 Ų9968%0.68256%0.563SS**SBendtrans-81.811-168.532.7-35000113.2P436P436-P438 VanDerWaalsContact O-CD 3.24Å; P436-P438 WeakPolarHBondContact O-CD 3.5Å; P436-P438 VanDerWaalsContact O-N 3.08Å
439H85.3Confident69.9Low54 Ų5493.1 Ų93.125%0.2555%0.551CS.*EExtended strand (participates in β ladder)trans-12291.4-173.1-54-44000109.8L437 F454 S457 L460L437-H439 PolarHBondContact O-N 3.33Å; L437-H439 VanDerWaalsContact O-N 3.09Å; H439-F454 HydrophobicContact CB-CB 4.28Å; H439-F454 PolarHBondContact O-N 2.99Å; H439-S457 PolarHBondContact CD2-N 3.43Å; H439-S457 PolarHBondContact NE2-N 2.98Å; H439-L460 VanDerWaalsContact C-CD1 3.42Å; H439-L460 HydrophobicContact CB-CB 4.21Å; H439-L460 HydrophobicContact CB-CD1 3.83Å
440V91Very high72Confident59 Ų5990.1 Ų90.136%0.35852%0.516SS..EExtended strand (participates in β ladder)trans-117.4125.4179.4-170.90000108.9R453 L460V440-R453 HydrophobicContact CG1-CG 4.09Å; V440-R453 HydrophobicContact CG2-CG 4.01Å; V440-L460 VanDerWaalsContact C-CD1 3.48Å
441C93.9Very high74.2Confident5 Ų586.7 Ų86.73%0.03451%0.506CS..  trans-67.5144.4168.1-164.80000109.3C450 K452 F454C441-C450 CarbonylContact C-O 3.16Å; C441-K452 PolarHBondContact N-O 2.96Å; C441-F454 HydrophobicContact CB-CE2 4.18Å
442N90.5Very high76.4Confident125 Ų12584.2 Ų84.267%0.66849%0.491SS*.  trans-140.246.7172.4-173.911000108.8
443W89.8Confident78.5Confident81 Ų8186.1 Ų86.131%0.30749%0.492SS..EExtended strand (participates in β ladder)trans-86.2121177.9-175.1-81.8000109.9C450 L464 H467 T468W443-C450 WeakPolarHBondContact O-CB 3.44Å; W443-C450 PolarHBondContact O-N 3.26Å; W443-L464 HydrophobicContact CB-CD1 4.46Å; W443-L464 HydrophobicContact CD2-CD1 4.4Å; W443-L464 HydrophobicContact CE3-CD1 3.64Å; W443-L464 HydrophobicContact CZ3-CD1 4.31Å; W443-H467 HydrophobicContact CB-CB 4.37Å; W443-H467 AromaticContact CD1-CE1 3.91Å; W443-H467 AromaticContact CD1-CG 3.43Å; W443-H467 VanDerWaalsContact CD1-CG 3.43Å; W443-H467 AromaticContact CD1-ND1 3.28Å; W443-H467 VanDerWaalsContact CD1-ND1 3.28Å; W443-H467 HydrophobicContact CD2-CB 3.77Å; W443-H467 HydrophobicContact CG-CB 3.67Å; W443-H467 AromaticContact CG-CD2 3.94Å; W443-H467 AromaticContact CG-CG 3.54Å; W443-H467 AromaticContact CG-ND1 3.85Å; W443-H467 AromaticContact NE1-CG 3.98Å; W443-H467 AromaticContact NE1-ND1 3.89Å; W443-T468 HydrophobicContact CH2-CG2 3.7Å; W443-T468 HydrophobicContact CZ2-CG2 4.36Å; W443-T468 HydrophobicContact CZ3-CG2 3.96Å
444V86.1Confident80.5Confident103 Ų10380.7 Ų80.762%0.62445%0.454SS*.EExtended strand (participates in β ladder)trans-93.3114.8174.8-174.60000109.3P449V444-P449 HydrophobicContact CG2-CB 4.44Å
445S84.3Confident82.6Confident32 Ų3281 Ų8122%0.22446%0.463CS..EExtended strand (participates in β ladder)trans-105.8173.2173.4-169.90000110.9N447 G448S445-N447 PolarHBondContact O-N 3.16Å; S445-N447 VanDerWaalsContact O-N 3.12Å; S445-G448 PolarHBondContact N-O 2.88Å; S445-G448 PolarHBondContact O-N 2.84Å
446A73.9Confident84.6Confident108 Ų10878.9 Ų78.989%0.89345%0.454SS*.THydrogen-bonded Turntrans-59.3-19.4170.500000113.2
447N77.8Confident86Confident160 Ų16076.6 Ų76.686%0.85644%0.441SS*.THydrogen-bonded Turntrans-87.71.2174.7-57.783.1000114S445S445-N447 PolarHBondContact O-N 3.16Å; S445-N447 VanDerWaalsContact O-N 3.12Å
448G84.7Confident87.5Confident27 Ų2781.4 Ų81.428%0.27846%0.462SS..EExtended strand (participates in β ladder)trans112.9-179.1-176.800000114.1S445S445-G448 PolarHBondContact N-O 2.88Å; S445-G448 PolarHBondContact O-N 2.84Å
449P87.3Confident88.3Confident85 Ų8580.9 Ų80.955%0.55245%0.451SS*.EExtended strand (participates in β ladder)trans-68.5149.4171.331.3-35000111.2V444V444-P449 HydrophobicContact CG2-CB 4.44Å
450C89.7Confident88.7Confident18 Ų1879.8 Ų79.812%0.12245%0.446CS..EExtended strand (participates in β ladder)trans-112.5105.9170.6-171.80000109.8C441 W443 H463 H467C441-C450 CarbonylContact C-O 3.16Å; W443-C450 WeakPolarHBondContact O-CB 3.44Å; W443-C450 PolarHBondContact O-N 3.26Å; C450-H463 PolarHBondContact SG-NE2 3.27Å; C450-H467 VanDerWaalsContact CB-NE2 3.34Å; C450-H467 WeakPolarHBondContact CB-NE2 3.38Å; C450-H467 PolarHBondContact SG-NE2 2.64Å
451D88.6Confident88.8Confident109 Ų10981 Ų8158%0.58345%0.451SS*.  trans-9627.8-178.1-66.6-84.5000113.6R453D451-R453 PolarHBondContact O-N 3.17Å
452K90.2Very high88.7Confident119 Ų11985.2 Ų85.252%0.51747%0.473SS..  trans-66.4130.8-176.8-72.8-174.1-176.1-176.20111.7C441 F454C441-K452 PolarHBondContact N-O 2.96Å; K452-F454 HydrophobicContact CB-CE1 4.46Å; K452-F454 HydrophobicContact CB-CE2 3.61Å; K452-F454 HydrophobicContact CB-CZ 3.5Å; K452-F454 HydrophobicContact CD-CZ 4.16Å; K452-F454 HydrophobicContact CG-CZ 4.48Å; K452-F454 VanDerWaalsContact O-CE2 3.28Å; K452-F454 WeakPolarHBondContact O-CE2 3.44Å
453R93.3Very high88.8Confident133 Ų13380.3 Ų80.350%0.50245%0.446SS..EExtended strand (participates in β ladder)trans-101.7144.7177.9-55.6-170.4165.2-150.7-14.5110.4N434 V440 D451N434-R453 PolarHBondContact OD1-NH1 3.04Å; V440-R453 HydrophobicContact CG1-CG 4.09Å; V440-R453 HydrophobicContact CG2-CG 4.01Å; D451-R453 PolarHBondContact O-N 3.17Å
454F89.3Confident88.9Confident19 Ų1979.5 Ų79.58%0.08345%0.447CS..EExtended strand (participates in β ladder)trans-135.7146.8-174.2-60.1-73.3000111H439 C441 K452 T456 E459 L460 H463H439-F454 HydrophobicContact CB-CB 4.28Å; H439-F454 PolarHBondContact O-N 2.99Å; C441-F454 HydrophobicContact CB-CE2 4.18Å; K452-F454 HydrophobicContact CB-CE1 4.46Å; K452-F454 HydrophobicContact CB-CE2 3.61Å; K452-F454 HydrophobicContact CB-CZ 3.5Å; K452-F454 HydrophobicContact CD-CZ 4.16Å; K452-F454 HydrophobicContact CG-CZ 4.48Å; K452-F454 VanDerWaalsContact O-CE2 3.28Å; K452-F454 WeakPolarHBondContact O-CE2 3.44Å; F454-T456 VanDerWaalsContact C-N 3.29Å; F454-E459 HydrophobicContact CB-CB 4.27Å; F454-E459 HydrophobicContact CB-CG 4.46Å; F454-E459 HydrophobicContact CD1-CB 4.15Å; F454-E459 HydrophobicContact CD1-CG 3.51Å; F454-E459 HydrophobicContact CE1-CG 4.09Å; F454-E459 HydrophobicContact CG-CB 4.41Å; F454-E459 HydrophobicContact CG-CG 4.24Å; F454-L460 HydrophobicContact CB-CB 4.28Å; F454-L460 HydrophobicContact CD2-CB 3.74Å; F454-L460 HydrophobicContact CD2-CD1 4.35Å; F454-L460 HydrophobicContact CD2-CG 4.2Å; F454-L460 HydrophobicContact CG-CB 4.2Å; F454-H463 HydrophobicContact CE1-CB 4.16Å; F454-H463 HydrophobicContact CE2-CB 4.03Å; F454-H463 AromaticContact CE2-CD2 3.43Å; F454-H463 VanDerWaalsContact CE2-CD2 3.43Å; F454-H463 WeakPolarHBondContact CE2-CD2 3.12Å; F454-H463 AromaticContact CE2-CG 3.98Å; F454-H463 HydrophobicContact CZ-CB 3.54Å; F454-H463 AromaticContact CZ-CD2 3.3Å; F454-H463 WeakPolarHBondContact CZ-CD2 3.13Å; F454-H463 AromaticContact CZ-CG 3.47Å; F454-H463 VanDerWaalsContact CZ-CG 3.47Å
455S89.8Confident89.2Confident91 Ų9180.6 Ų80.664%0.63644%0.44SS*.SBendtrans-80.4-14.1178.7-540000112.5
456T91.1Very high89.4Confident68 Ų6882.4 Ų82.442%0.41745%0.45SS..SBendtrans-135.7153.6179.970.20000112F454 E459 L460F454-T456 VanDerWaalsContact C-N 3.29Å; T456-E459 VanDerWaalsContact OG1-CB 3.25Å; T456-E459 WeakPolarHBondContact OG1-CB 3.28Å; T456-E459 PolarHBondContact OG1-N 3.33Å; T456-L460 PolarHBondContact O-N 3.21Å
457S91.8Very high90Very high64 Ų6478.7 Ų78.745%0.44841%0.414SS..Hα-helixtrans-67.9-35.8174.954.40000112H439 E459 L460 L461H439-S457 PolarHBondContact CD2-N 3.43Å; H439-S457 PolarHBondContact NE2-N 2.98Å; S457-E459 PolarHBondContact O-N 3.04Å; S457-L460 PolarHBondContact O-N 3.36Å; S457-L461 WeakPolarHBondContact O-CD1 3.44Å; S457-L461 PolarHBondContact O-N 3.16Å
458E93.3Very high90.2Very high144 Ų14474.9 Ų74.967%0.67340%0.397SS*.Hα-helixtrans-62.6-42178.4-179168.4-163.900112.2L461 N462E458-L461 PolarHBondContact O-N 3.34Å; E458-N462 WeakPolarHBondContact O-CB 3.47Å; E458-N462 PolarHBondContact O-N 2.89Å
459E93.5Very high89.5Confident94 Ų9477 Ų7744%0.43941%0.411SS..Hα-helixtrans-65-41.4177-166.8-174.6-175.300111.5F454 T456 S457 N462 H463F454-E459 HydrophobicContact CB-CB 4.27Å; F454-E459 HydrophobicContact CB-CG 4.46Å; F454-E459 HydrophobicContact CD1-CB 4.15Å; F454-E459 HydrophobicContact CD1-CG 3.51Å; F454-E459 HydrophobicContact CE1-CG 4.09Å; F454-E459 HydrophobicContact CG-CB 4.41Å; F454-E459 HydrophobicContact CG-CG 4.24Å; T456-E459 VanDerWaalsContact OG1-CB 3.25Å; T456-E459 WeakPolarHBondContact OG1-CB 3.28Å; T456-E459 PolarHBondContact OG1-N 3.33Å; S457-E459 PolarHBondContact O-N 3.04Å; E459-N462 PolarHBondContact O-N 3.46Å; E459-H463 WeakPolarHBondContact O-CB 3.45Å; E459-H463 PolarHBondContact O-N 3.43Å
460L93.7Very high88Confident31 Ų3179.5 Ų79.516%0.16241%0.414CS..Hα-helixtrans-60.3-45.2171178.3150.8000111.8H439 V440 F454 T456 S457 N462 H463 L464H439-L460 VanDerWaalsContact C-CD1 3.42Å; H439-L460 HydrophobicContact CB-CB 4.21Å; H439-L460 HydrophobicContact CB-CD1 3.83Å; V440-L460 VanDerWaalsContact C-CD1 3.48Å; F454-L460 HydrophobicContact CB-CB 4.28Å; F454-L460 HydrophobicContact CD2-CB 3.74Å; F454-L460 HydrophobicContact CD2-CD1 4.35Å; F454-L460 HydrophobicContact CD2-CG 4.2Å; F454-L460 HydrophobicContact CG-CB 4.2Å; T456-L460 PolarHBondContact O-N 3.21Å; S457-L460 PolarHBondContact O-N 3.36Å; L460-N462 VanDerWaalsContact C-N 3.3Å; L460-N462 PolarHBondContact O-N 2.83Å; L460-H463 PolarHBondContact O-N 3.08Å; L460-L464 WeakPolarHBondContact O-CB 3.21Å; L460-L464 PolarHBondContact O-N 3.16Å
461L92.2Very high86.6Confident85 Ų8582.7 Ų82.745%0.44543%0.433SS..Hα-helixtrans-62-40.3176.9-96.675000111S457 E458 L464 R465S457-L461 WeakPolarHBondContact O-CD1 3.44Å; S457-L461 PolarHBondContact O-N 3.16Å; E458-L461 PolarHBondContact O-N 3.34Å; L461-L464 PolarHBondContact O-N 3.35Å; L461-R465 WeakPolarHBondContact O-CG 3.44Å; L461-R465 PolarHBondContact O-N 2.98Å; L461-R465 VanDerWaalsContact O-N 3.15Å
462N92Very high85Confident94 Ų9481 Ų8150%0.50344%0.441SS..Hα-helixtrans-70.1-38.3179.5-155.746.1000112E458 E459 L460 R465E458-N462 WeakPolarHBondContact O-CB 3.47Å; E458-N462 PolarHBondContact O-N 2.89Å; E459-N462 PolarHBondContact O-N 3.46Å; L460-N462 VanDerWaalsContact C-N 3.3Å; L460-N462 PolarHBondContact O-N 2.83Å; N462-R465 WeakPolarHBondContact O-CB 3.41Å; N462-R465 PolarHBondContact O-N 2.86Å; N462-R465 PolarHBondContact OD1-NH1 2.95Å
463H92.9Very high83Confident21 Ų2177.4 Ų77.410%0.09743%0.433CS..Hα-helixtrans-65.8-40.1170.9174.145.3000112.3C450 F454 E459 L460 R465 T466 H467C450-H463 PolarHBondContact SG-NE2 3.27Å; F454-H463 HydrophobicContact CE1-CB 4.16Å; F454-H463 HydrophobicContact CE2-CB 4.03Å; F454-H463 AromaticContact CE2-CD2 3.43Å; F454-H463 VanDerWaalsContact CE2-CD2 3.43Å; F454-H463 WeakPolarHBondContact CE2-CD2 3.12Å; F454-H463 AromaticContact CE2-CG 3.98Å; F454-H463 HydrophobicContact CZ-CB 3.54Å; F454-H463 AromaticContact CZ-CD2 3.3Å; F454-H463 WeakPolarHBondContact CZ-CD2 3.13Å; F454-H463 AromaticContact CZ-CG 3.47Å; F454-H463 VanDerWaalsContact CZ-CG 3.47Å; E459-H463 WeakPolarHBondContact O-CB 3.45Å; E459-H463 PolarHBondContact O-N 3.43Å; L460-H463 PolarHBondContact O-N 3.08Å; H463-R465 PolarHBondContact O-N 3.39Å; H463-T466 PolarHBondContact ND1-OG1 3.37Å; H463-T466 WeakPolarHBondContact O-CA 3.5Å; H463-T466 WeakPolarHBondContact O-CB 3.5Å; H463-T466 PolarHBondContact O-N 3.18Å; H463-T466 PolarHBondContact O-OG1 3.02Å; H463-H467 AromaticContact CE1-CD2 3.48Å; H463-H467 PolarHBondContact CE1-CD2 2.94Å; H463-H467 VanDerWaalsContact CE1-CD2 3.48Å; H463-H467 AromaticContact CE1-NE2 3.16Å; H463-H467 PolarHBondContact CE1-NE2 3.33Å; H463-H467 AromaticContact NE2-CD2 3.57Å; H463-H467 AromaticContact NE2-NE2 3.22Å; H463-H467 PolarHBondContact NE2-NE2 3.13Å; H463-H467 PolarHBondContact O-N 3.37Å
464L92.4Very high80.8Confident65 Ų6576.9 Ų76.934%0.3444%0.437SS..Hα-helixtrans-60.1-35.1177.2-172.364.1000112W443 L460 L461 T466 H467 T468W443-L464 HydrophobicContact CB-CD1 4.46Å; W443-L464 HydrophobicContact CD2-CD1 4.4Å; W443-L464 HydrophobicContact CE3-CD1 3.64Å; W443-L464 HydrophobicContact CZ3-CD1 4.31Å; L460-L464 WeakPolarHBondContact O-CB 3.21Å; L460-L464 PolarHBondContact O-N 3.16Å; L461-L464 PolarHBondContact O-N 3.35Å; L464-T466 VanDerWaalsContact C-N 3.28Å; L464-T466 PolarHBondContact O-N 3.11Å; L464-H467 PolarHBondContact O-N 3.17Å; L464-T468 PolarHBondContact O-N 3.41Å
465R91.6Very high78.8Confident126 Ų12685.7 Ų85.748%0.47548%0.475SS..Hα-helixtrans-61.4-32.4170.8-64.9167-164.4133.23.6112.9L461 N462 H463 H467 T468 A469L461-R465 WeakPolarHBondContact O-CG 3.44Å; L461-R465 PolarHBondContact O-N 2.98Å; L461-R465 VanDerWaalsContact O-N 3.15Å; N462-R465 WeakPolarHBondContact O-CB 3.41Å; N462-R465 PolarHBondContact O-N 2.86Å; N462-R465 PolarHBondContact OD1-NH1 2.95Å; H463-R465 PolarHBondContact O-N 3.39Å; R465-H467 VanDerWaalsContact C-N 3.3Å; R465-H467 PolarHBondContact O-N 3.36Å; R465-T468 PolarHBondContact O-N 3.3Å; R465-T468 PolarHBondContact O-OG1 3.47Å; R465-A469 WeakPolarHBondContact O-CB 3.45Å; R465-A469 PolarHBondContact O-N 2.9Å
466T89Confident76.9Confident69 Ų6989.2 Ų89.242%0.42349%0.486SS..Hα-helixtrans-66.5-33.9177.269.20000112.1H463 L464 F470H463-T466 PolarHBondContact ND1-OG1 3.37Å; H463-T466 WeakPolarHBondContact O-CA 3.5Å; H463-T466 WeakPolarHBondContact O-CB 3.5Å; H463-T466 PolarHBondContact O-N 3.18Å; H463-T466 PolarHBondContact O-OG1 3.02Å; L464-T466 VanDerWaalsContact C-N 3.28Å; L464-T466 PolarHBondContact O-N 3.11Å; T466-F470 PolarHBondContact O-N 3.03Å
467H85.8Confident75Confident31 Ų3192.5 Ų92.514%0.14450%0.499CS..Hα-helixtrans-67.9-49.5173.4-79-66.9000112W443 C450 H463 L464 R465 A469 T471W443-H467 HydrophobicContact CB-CB 4.37Å; W443-H467 AromaticContact CD1-CE1 3.91Å; W443-H467 AromaticContact CD1-CG 3.43Å; W443-H467 VanDerWaalsContact CD1-CG 3.43Å; W443-H467 AromaticContact CD1-ND1 3.28Å; W443-H467 VanDerWaalsContact CD1-ND1 3.28Å; W443-H467 HydrophobicContact CD2-CB 3.77Å; W443-H467 HydrophobicContact CG-CB 3.67Å; W443-H467 AromaticContact CG-CD2 3.94Å; W443-H467 AromaticContact CG-CG 3.54Å; W443-H467 AromaticContact CG-ND1 3.85Å; W443-H467 AromaticContact NE1-CG 3.98Å; W443-H467 AromaticContact NE1-ND1 3.89Å; C450-H467 VanDerWaalsContact CB-NE2 3.34Å; C450-H467 WeakPolarHBondContact CB-NE2 3.38Å; C450-H467 PolarHBondContact SG-NE2 2.64Å; H463-H467 AromaticContact CE1-CD2 3.48Å; H463-H467 PolarHBondContact CE1-CD2 2.94Å; H463-H467 VanDerWaalsContact CE1-CD2 3.48Å; H463-H467 AromaticContact CE1-NE2 3.16Å; H463-H467 PolarHBondContact CE1-NE2 3.33Å; H463-H467 AromaticContact NE2-CD2 3.57Å; H463-H467 AromaticContact NE2-NE2 3.22Å; H463-H467 PolarHBondContact NE2-NE2 3.13Å; H463-H467 PolarHBondContact O-N 3.37Å; L464-H467 PolarHBondContact O-N 3.17Å; R465-H467 VanDerWaalsContact C-N 3.3Å; R465-H467 PolarHBondContact O-N 3.36Å; H467-A469 PolarHBondContact O-N 3.28Å; H467-T471 WeakPolarHBondContact O-CB 3.22Å; H467-T471 PolarHBondContact O-N 3.03Å; H467-T471 PolarHBondContact O-OG1 2.78Å; H467-T471 VanDerWaalsContact O-OG1 3.04Å
468T81.4Confident72.5Confident80 Ų8095.2 Ų95.249%0.49152%0.518SS..Hα-helixtrans-68.6-34.2-178.956.40000113.1W443 L464 R465W443-T468 HydrophobicContact CH2-CG2 3.7Å; W443-T468 HydrophobicContact CZ2-CG2 4.36Å; W443-T468 HydrophobicContact CZ3-CG2 3.96Å; L464-T468 PolarHBondContact O-N 3.41Å; R465-T468 PolarHBondContact O-N 3.3Å; R465-T468 PolarHBondContact O-OG1 3.47Å
469A70.3Confident69.9Low70 Ų7091.3 Ų91.358%0.57952%0.517SS*.Hα-helixtrans-68.4-42.8179.400000113.3R465 H467R465-A469 WeakPolarHBondContact O-CB 3.45Å; R465-A469 PolarHBondContact O-N 2.9Å; H467-A469 PolarHBondContact O-N 3.28Å
470F57.2Low67.1Low139 Ų13997.1 Ų97.161%0.6154%0.536SS*.Hα-helixtrans-79.9-34.4-178.2-88.6-90.9000113.6T466 G472 A473T466-F470 PolarHBondContact O-N 3.03Å; F470-G472 PolarHBondContact O-N 3.01Å; F470-A473 PolarHBondContact O-N 3.1Å
471T58.8Low64.9Low85 Ų85101.4 Ų101.452%0.52157%0.566SS.*Hα-helixtrans-58.4-19.4179.6-65.70000113.6H467H467-T471 WeakPolarHBondContact O-CB 3.22Å; H467-T471 PolarHBondContact O-N 3.03Å; H467-T471 PolarHBondContact O-OG1 2.78Å; H467-T471 VanDerWaalsContact O-OG1 3.04Å
472G55.1Low62.5Low73 Ų73100.5 Ų100.575%0.75358%0.577SS**THydrogen-bonded Turntrans-78.5-20175.100000116.6F470F470-G472 PolarHBondContact O-N 3.01Å
473A49.5Very low59.8Low43 Ų43101 Ų10136%0.35559%0.588SS.*THydrogen-bonded Turntrans-106-34.2-168.700000114.8F470 K475 L476F470-A473 PolarHBondContact O-N 3.1Å; A473-K475 PolarHBondContact O-N 3.28Å; A473-L476 PolarHBondContact O-N 3.36Å
474E47.2Very low57.8Low123 Ų123105.9 Ų105.958%0.57563%0.625SS**THydrogen-bonded Turntrans-60.6-17.9-166.6-64.6-59.411600115.5
475K45.5Very low55.7Low203 Ų203107.7 Ų107.788%0.88364%0.643SS**THydrogen-bonded Turntrans-83.6-5.7-179.9-91.8-176.9174.7-67.90115.6A473A473-K475 PolarHBondContact O-N 3.28Å
476L50.2Low53.6Low166 Ų166108.5 Ų108.587%0.86966%0.656SS**THydrogen-bonded Turntrans-121.6-7180-63.9178.3000114.8A473A473-L476 PolarHBondContact O-N 3.36Å
477I51Low51.6Low136 Ų136108.8 Ų108.870%0.69767%0.665SS**  trans-130.126.9-175.3-32.5-177.9000112.8G479I477-G479 PolarHBondContact O-N 3.13Å
478S40.9Very low49.8Very low121 Ų121111.8 Ų111.885%0.84669%0.689SS**THydrogen-bonded Turntrans-75.974.9170.9-1720000110.6
479G38.7Very low48Very low63 Ų63111.6 Ų111.665%0.64970%0.696SS**THydrogen-bonded Turntrans-161.62.8-168.600000118.5I477I477-G479 PolarHBondContact O-N 3.13Å
480Y33.7Very low47Very low216 Ų216111.6 Ų111.685%0.84770%0.696SS**  trans-152.7125.4173.5-128.9-86.8000113
481P47.3Very low46.4Very low121 Ų121108.7 Ų108.779%0.78670%0.698SS**  trans-88.7122.7173.832.8-30.4000111.9
482G41.9Very low45.6Very low65 Ų65108.2 Ų108.267%0.6770%0.702SS**  trans89.6106.215900000117.3
483S36.3Very low45.2Very low106 Ų106108.6 Ų108.674%0.74170%0.698SS**  trans-174.485.3145-85.30000110.9S485S483-S485 PolarHBondContact O-N 3.12Å
484S50.9Low45Very low123 Ų123115 Ų11586%0.8672%0.723SS**THydrogen-bonded Turntrans-71.622.6-178.2-49.30000115.1
485S46.9Very low44.9Very low103 Ų103113.2 Ų113.272%0.7273%0.729SS**THydrogen-bonded Turntrans-122.4-9.3-168.4-51.30000114.6S483S483-S485 PolarHBondContact O-N 3.12Å
486L47.6Very low44.3Very low143 Ų143109.5 Ų109.575%0.74973%0.727SS**SBendtrans-91.7-21.7177.7-159.369.7000113.1S488 A489L486-S488 PolarHBondContact O-N 3.2Å; L486-A489 PolarHBondContact O-N 2.94Å; L486-A489 VanDerWaalsContact O-N 3.16Å
487A48.7Very low43.9Very low74 Ų74110.2 Ų110.261%0.61273%0.726SS**Hα-helixtrans-58.8-31.5-178.200000113.3A489 A490A487-A489 PolarHBondContact O-N 3.28Å; A487-A490 PolarHBondContact O-N 2.91Å
488S46.3Very low43.4Very low94 Ų94111.9 Ų111.966%0.65773%0.732SS**Hα-helixtrans-60.8-26179.1-46.30000113.9L486L486-S488 PolarHBondContact O-N 3.2Å
489A45Very low43.2Very low76 Ų76114.5 Ų114.563%0.62873%0.731SS**Hα-helixtrans-78.2-30.918000000113L486 A487L486-A489 PolarHBondContact O-N 2.94Å; L486-A489 VanDerWaalsContact O-N 3.16Å; A487-A489 PolarHBondContact O-N 3.28Å
490A47.9Very low43.3Very low71 Ų71119 Ų11959%0.58774%0.737SS**Hα-helixtrans-77.8-31.5-179.500000112.7A487 A492 A493A487-A490 PolarHBondContact O-N 2.91Å; A490-A492 PolarHBondContact O-N 3.1Å; A490-A493 WeakPolarHBondContact O-CB 3.38Å; A490-A493 PolarHBondContact O-N 3.45Å
491A45.4Very low43.7Very low78 Ų78114 Ų11465%0.64573%0.731SS**G310 helixtrans-62.9-27-178.500000113.8A493A491-A493 VanDerWaalsContact C-N 3.27Å; A491-A493 PolarHBondContact O-N 2.96Å
492A41.4Very low43.6Very low74 Ų74114.2 Ų114.261%0.61273%0.732SS**G310 helixtrans-72.5-15.1179.500000114.2A490 M494A490-A492 PolarHBondContact O-N 3.1Å; A492-M494 PolarHBondContact O-N 3.14Å
493A47.2Very low43.5Very low81 Ų81117.2 Ų117.267%0.66974%0.743SS**G310 helixtrans-78.5-12.6-169.800000115.3A490 A491A490-A493 WeakPolarHBondContact O-CB 3.38Å; A490-A493 PolarHBondContact O-N 3.45Å; A491-A493 VanDerWaalsContact C-N 3.27Å; A491-A493 PolarHBondContact O-N 2.96Å
494M44.8Very low43.3Very low179 Ų179115.6 Ų115.688%0.88274%0.744SS**G310 helixtrans-104.69.8-173.3-61.5-61.2-70.500114.1A492A492-M494 PolarHBondContact O-N 3.14Å
495A44.6Very low42.6Very low84 Ų84114.2 Ų114.269%0.69474%0.739SS**SBendtrans-130.127.4-170.200000114.9
496C34.3Very low42.5Very low126 Ų126115.5 Ų115.585%0.85175%0.745SS**  trans-132.6130.5171.3-90.80000111.8
497H40.6Very low41.7Very low180 Ų180112.1 Ų112.183%0.83375%0.745SS**  trans-89.9130-179.4-157.3-88.6000110.3
498M40.9Very low40.8Very low171 Ų171114.6 Ų114.684%0.84276%0.758SS**  trans34.393.9164.6-66.2-66-171.900118.2
499H37.8Very low40.8Very low176 Ų176116.5 Ų116.582%0.81577%0.768SS**  trans-142.3127.8149.5-164.3-91000111.8
500M40Very low40.2Very low157 Ų157116.3 Ų116.377%0.77377%0.774SS**PPolyproline II helixtrans-96.5133.2-179.5178.715857.200110
501P41.7Very low39.7Very low112 Ų112119.2 Ų119.273%0.72778%0.784SS**PPolyproline II helixtrans-67.6130.5172.727.7-33.3000110.3
502P46.2Very low39.6Very low125 Ų125123.8 Ų123.881%0.81280%0.797SS**PPolyproline II helixtrans-75162.6-179.231.1-35.6000112.7
503S38.1Very low39.3Very low128 Ų128124.8 Ų124.890%0.89581%0.805SS**  trans-112.3137.9-177.5-174.20000112.3
504G33.6Very low38.9Very low73 Ų73129.1 Ų129.175%0.75382%0.816SS**  trans82.6158.4177.500000114.7
505A34.9Very low38.6Very low93 Ų93131.7 Ų131.777%0.76982%0.816SS**  cis-157.8-148.4-3.900000109.3
506P44.8Very low38Very low131 Ų131132 Ų13285%0.85181%0.813SS**  -122.3164-8635.9-22.3000115.8
507G31.5Very low38.2Very low72 Ų72131.9 Ų131.974%0.74281%0.811SS**  trans111.298.2138.700000119.9
508S30.3Very low38.2Very low125 Ų125130.4 Ų130.487%0.87480%0.804SS**  trans-167.9156.6138-88.60000111.5
509P45.3Very low38.2Very low134 Ų134130.6 Ų130.687%0.8780%0.803SS**  trans-95.7155.6-169.937.2-35.3000113.9
510G33Very low38.2Very low73 Ų73126.8 Ų126.875%0.75380%0.801SS**  trans148.9119.3166.300000114.4
511T37.9Very low38.4Very low132 Ų132127.2 Ų127.281%0.8181%0.806SS**  trans-30.8138.5163.751.90000114.3
512L41.8Very low38.8Very low174 Ų174125.5 Ų125.591%0.91181%0.809SS**  -144.3155.658.8-75.1163.9000113.2
513A35.7Very low39Very low95 Ų95127.7 Ų127.779%0.78581%0.813SS**  trans-114.9129.4178.600000112.4
514L39Very low39.4Very low171 Ų171126.9 Ų126.990%0.89581%0.807SS**  trans-127.3137.7157.3-80177.2000109.9
515R38.5Very low39.9Very low233 Ų233128.9 Ų128.988%0.87981%0.809SS**  trans-72.4136.5-155.6-63.3171.8173.587.8-0.6113.4
516S32.1Very low41Very low91 Ų91134.4 Ų134.464%0.63681%0.81SS**  trans-74.3130.2152.51770000109.7
517P39.4Very low40.8Very low124 Ų124138.7 Ų138.781%0.80581%0.811SS**  trans-94.6104.5170.332.9-26.4000110.9
518H39.5Very low42Very low148 Ų148141.6 Ų141.669%0.68581%0.805SS**  trans-83.4137.2171.9-95.2-100.9000112
519H41.3Very low42.9Very low176 Ų176140.2 Ų140.282%0.81579%0.793SS**  trans5797.2163.1-57.3-65.9000119.4
520A37.9Very low43.1Very low95 Ų95144.8 Ų144.879%0.78580%0.795SS**  trans-144.5149.1140.300000110.1
521L44.5Very low43.7Very low167 Ų167145.8 Ų145.887%0.87479%0.79SS**  trans56.777.6169.6-50.8-175.7000117.2L523L521-L523 PolarHBondContact O-N 3.04Å
522G49.7Very low44.1Very low76 Ų76149.1 Ų149.178%0.78479%0.794SS**  trans-79.4104.1166.100000112.6
523L50.7Low44Very low171 Ų171146.3 Ų146.390%0.89579%0.789SS**  trans-132.542.4171.1-74179.5000112.8L521L521-L523 PolarHBondContact O-N 3.04Å
524S46.3Very low44.9Very low110 Ų110147.2 Ų147.277%0.76979%0.787SS**  trans-120.730.617157.50000112.8R526S524-R526 PolarHBondContact O-N 3.21Å
525S43.3Very low45.2Very low116 Ų116146.9 Ų146.981%0.81179%0.785SS**  trans-63.7116.9167.6-1660000109
526R57.7Low45.4Very low209 Ų209141.4 Ų141.479%0.78978%0.779SS**  trans-64.7143.6-179-77.6170.2-84.1-136.4-5.4110S524 H528S524-R526 PolarHBondContact O-N 3.21Å; R526-H528 PolarHBondContact O-CD2 2.89Å; R526-H528 PolarHBondContact O-N 3.23Å
527Y42.2Very low45.7Very low221 Ų221143.4 Ų143.487%0.86779%0.788SS**  trans-64.3105.3-176.3-170.4-91.4000111
528H55.1Low45.8Very low132 Ų132143.4 Ų143.461%0.61179%0.788SS**  trans-101119175.4-76.6-78.5000109.5R526 Y530R526-H528 PolarHBondContact O-CD2 2.89Å; R526-H528 PolarHBondContact O-N 3.23Å; H528-Y530 PolarHBondContact O-N 3.08Å
529P50.4Low46.4Very low97 Ų97140.4 Ų140.463%0.6380%0.797SS**THydrogen-bonded Turntrans-65.5-9.3-168.5-26.735.9000117.7
530Y49.7Very low46.2Very low229 Ų229136.2 Ų136.290%0.89879%0.793SS**THydrogen-bonded Turntrans-142.950.8-173.5-72-73.7000113.7H528H528-Y530 PolarHBondContact O-N 3.08Å
531S45.6Very low46.5Very low95 Ų95138 Ų13866%0.66480%0.796SS**PPolyproline II helixtrans-90.9127.8169.3-63.40000111.2
532K45Very low46.3Very low201 Ų201135.7 Ų135.787%0.87479%0.789SS**PPolyproline II helixtrans-62.6140.9-178.1-73.7-178.5175.51790112
533S41Very low46Very low116 Ų116137.9 Ų137.981%0.81179%0.789SS**PPolyproline II helixtrans-64.2127.8179.5-164.80000111.9
534P53.3Low45.7Very low114 Ų114135.5 Ų135.574%0.7478%0.781SS**PPolyproline II helixtrans-66.4141.8168.3-19.233.1000111.4
535L46.6Very low45.5Very low164 Ų164136.2 Ų136.286%0.85978%0.784SS**PPolyproline II helixtrans-73.4138.4175.1-152.369.5000109.6T537L535-T537 PolarHBondContact O-N 3.43Å
536P41.3Very low45.1Very low118 Ų118135.1 Ų135.177%0.76678%0.781SS**PPolyproline II helixtrans-71127.1-176.427.1-34.9000112.5
537T39.3Very low44Very low132 Ų132129.5 Ų129.581%0.8178%0.78SS**PPolyproline II helixtrans-76.6134.1168.8-50.30000110L535L535-T537 PolarHBondContact O-N 3.43Å
538P40.3Very low43.9Very low125 Ų125126.3 Ų126.381%0.81278%0.783SS**SBendtrans-70.3144.1179.2-18.131.7000113.3
539G52.8Low42.9Very low84 Ų84123.3 Ų123.387%0.86679%0.789SS**  trans9658.3157.300000117.8
540A38.1Very low42.6Very low89 Ų89124.8 Ų124.874%0.73680%0.798SS**  trans-134.9138.1162.100000110.8
541P43Very low42Very low131 Ų131124.9 Ų124.985%0.85180%0.799SS**PPolyproline II helixtrans-72.3145.4-177.5-18.332.6000113.7
542V40.7Very low41.5Very low120 Ų120129.9 Ų129.973%0.72780%0.804SS**PPolyproline II helixtrans-84.6126.5178179.60000110.8V544V542-V544 HydrophobicContact CG1-CG2 4.26Å; V542-V544 PolarHBondContact O-N 3.39Å
543P43Very low41Very low122 Ų122126.1 Ų126.179%0.79280%0.803SS**PPolyproline II helixtrans-72.7116.6165.5-1329.2000110
544V45.4Very low41.2Very low120 Ų120124.1 Ų124.173%0.72779%0.787SS**PPolyproline II helixtrans-102.5123.7179.3176.40000110.8V542V542-V544 HydrophobicContact CG1-CG2 4.26Å; V542-V544 PolarHBondContact O-N 3.39Å
545P41.5Very low40.6Very low126 Ų126129.5 Ų129.582%0.81879%0.794SS**PPolyproline II helixtrans-97.6120.6155.5-7.227.1000110.9
546A36Very low40.6Very low92 Ų92126.3 Ų126.376%0.7679%0.792SS**PPolyproline II helixtrans-90.3165.2167.800000110.6
547A34.2Very low40.8Very low92 Ų92128.3 Ų128.376%0.7680%0.796SS**  cis-170.3127.3-28.800000110
548T39.6Very low41Very low153 Ų153133.6 Ų133.694%0.93980%0.802SS**  trans-160.7137.3161.648.10000106.8
549G33.8Very low40.9Very low70 Ų70130.1 Ų130.172%0.72279%0.79SS**  cis-158.2171-12.100000107.5
550P45.3Very low40.4Very low127 Ų127135.3 Ų135.383%0.82579%0.791SS**  trans-96.1132.3-158.234.2-33.6000115.2
551Y35.4Very low40.6Very low232 Ų232142.2 Ų142.291%0.9180%0.798SS**  trans-151.2101.6151.3-129.9-87.2000113.5
552Y36.9Very low40.6Very low200 Ų200143.9 Ų143.978%0.78480%0.799SS**  trans39113.1148.4-135.8-104.7000121P554Y552-P554 HydrophobicContact CD1-CB 4.37Å; Y552-P554 HydrophobicContact CD1-CG 4.38Å; Y552-P554 HydrophobicContact CE1-CB 3.88Å; Y552-P554 HydrophobicContact CE1-CG 4.24Å
553S34.3Very low40.5Very low122 Ų122144.7 Ų144.785%0.85380%0.804SS**  trans-130.3114.2157.5-176.30000109.2
554P44.7Very low40.4Very low74 Ų74145.2 Ų145.248%0.48181%0.805SS.*  trans-91.7159-173.135.2-34.5000113.9Y552Y552-P554 HydrophobicContact CD1-CB 4.37Å; Y552-P554 HydrophobicContact CD1-CG 4.38Å; Y552-P554 HydrophobicContact CE1-CB 3.88Å; Y552-P554 HydrophobicContact CE1-CG 4.24Å
555Y40Very low39.8Very low226 Ų226144 Ų14489%0.88681%0.808SS**  trans67.671.3173.3-62.1-76.2000117.9
556A46Very low39.5Very low98 Ų98143.8 Ų143.881%0.8181%0.809SS**  trans-118.156.115900000111.4
557L47.5Very low39.6Very low160 Ų160143.4 Ų143.484%0.83881%0.807SS**  trans-140.461.6-174.9-73.8178.4000113.9
558Y42.3Very low39.9Very low242 Ų242147.7 Ų147.795%0.94982%0.816SS**  trans-171.2123.4159-113.6-80.5000108.4
559G37.6Very low39.7Very low53 Ų53144.2 Ų144.255%0.54681%0.81SS.*  cis157.2100.3-14.500000113.8
560Q43Very low39.9Very low193 Ų193152.3 Ų152.390%0.90282%0.821SS**  trans-142119.3158.6-90.591.529.400108.3
561R43.3Very low39.6Very low234 Ų234158.8 Ų158.888%0.88384%0.84SS**  cis108.488.142.7-174.5178.3-162.5-128.14.6109.4
562L43.1Very low39.8Very low166 Ų166155.1 Ų155.187%0.86984%0.836SS**  trans4.8118.1152.5-60.4167.2000117
563T37.4Very low39.9Very low136 Ų136152.7 Ų152.783%0.83484%0.839SS**  trans-149.2115.6134.8-174.50000110.1
564T41.2Very low40.3Very low133 Ų133154.4 Ų154.482%0.81684%0.838SS**  trans-112.1111.3170.546.10000107.3
565A33.4Very low40Very low94 Ų94159.2 Ų159.278%0.77786%0.859SS**  trans-80.5131.7178.900000111.3
566S35.3Very low40Very low122 Ų122155 Ų15585%0.85386%0.857SS**  trans-171.1154152.7-87.60000112.6
567A37.8Very low39.6Very low85 Ų85158.8 Ų158.870%0.70286%0.86SS**  trans69.2103.8159.600000120.1
568L39.5Very low39Very low182 Ų182158.7 Ų158.795%0.95386%0.862SS**  57.2130.4118.5-65.7164.6000120.9
569G37.1Very low38.8Very low79 Ų79152.3 Ų152.381%0.81486%0.855SS**  trans163.187.2161.100000114.1
570Y37.2Very low38.9Very low241 Ų241160.6 Ų160.695%0.94588%0.881SS**  trans-78.2129.7155.2-94.9-104.8000108
571Q38.3Very low38.5Very low262 Ų262157.6 Ų157.6100%1.22488%0.879SS**  -166.60110.1-170.9163.7-16.900110.6

Retrieved 571 of 571 residues in 97.7 ms (Link to these results)