A0A077ZML1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZML1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 500 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
1M55.2Low46.9Very low250 Ų250163.8 Ų163.8100%1.23285%0.847SS**  0153.30-57.8-171.881.200108.4
2S36.4Very low47Very low105 Ų105160 Ų16073%0.73485%0.845SS**  trans-102.3139.8-178.946.70000111.9
3V57.2Low46.9Very low149 Ų149159.1 Ų159.190%0.90385%0.85SS**  trans-142.3115.4157.1-168.60000108.2
4H44.6Very low46.5Very low170 Ų170152.5 Ų152.579%0.78784%0.838SS**  trans-85.7146.7168.2-81.8-106.9000110.4
5R46.9Very low46.1Very low232 Ų232150.3 Ų150.388%0.87584%0.838SS**  -174.1126.4125.3-99.1155.5178.2172.10.1109.1
6V54.1Low45.8Very low121 Ų121146.3 Ų146.373%0.73382%0.823SS**  65.8124.684.8171.10000110
7R44.4Very low45.5Very low213 Ų213148.8 Ų148.880%0.80482%0.824SS**  cis-154.5156.429.8-160.9177178.8111-3.4112.2
8L49.3Very low45.4Very low145 Ų145147.4 Ų147.476%0.75982%0.822SS**  trans143.493.3135.3-78.4173.4000111.7
9E38.4Very low44.9Very low186 Ų186145.2 Ų145.287%0.86983%0.825SS**  trans-72.1136.2160.2-65.6145.2113.400109.1
10S44.7Very low44.3Very low108 Ų108144.5 Ų144.576%0.75582%0.819SS**  trans-151.7107168.2-75.40000108.6S12S10-S12 PolarHBondContact O-N 3.42Å
11S45.1Very low43.9Very low123 Ų123140.9 Ų140.986%0.8680%0.802SS**  trans-69.3121.3-169-51.40000112.3
12S47.6Very low43.3Very low118 Ų118134 Ų13483%0.82579%0.785SS**  trans-138.592161.4-168.70000109.2S10 G14S10-S12 PolarHBondContact O-N 3.42Å; S12-G14 PolarHBondContact O-N 3.22Å
13T46.2Very low43.8Very low148 Ų148135.9 Ų135.991%0.90878%0.78SS**  trans-79.184.8-176.5-45.70000110
14G41.1Very low43.2Very low67 Ų67134.6 Ų134.669%0.69178%0.775SS**  trans-136.365.8-179.300000112.1S12 S16S12-G14 PolarHBondContact O-N 3.22Å; G14-S16 PolarHBondContact O-N 2.76Å
15S40.6Very low43.3Very low120 Ų120132.8 Ų132.884%0.83978%0.776SS**  trans-66125.2-177.654.40000112.5
16S41.3Very low43.3Very low85 Ų85126.8 Ų126.859%0.59477%0.767SS**  trans-83.7177.6173.6500000113.1G14G14-S16 PolarHBondContact O-N 2.76Å
17F41.1Very low42.8Very low190 Ų190128 Ų12883%0.83377%0.768SS**  trans81.9146.3171.7-52.3-71.9000117.9
18P42.4Very low42.9Very low123 Ų123120.9 Ų120.980%0.79976%0.755SS**  cis-123.7-174.9-2435-17.2000112.5
19A36.2Very low42.6Very low105 Ų105120.4 Ų120.487%0.86876%0.758SS**  trans-77.3143.7-177.600000113.9
20D34.1Very low42.8Very low132 Ų132117 Ų11771%0.70675%0.75SS**  trans-133.7154.2153.2-174.625.4000110.5A22 K23D20-A22 PolarHBondContact O-N 3.26Å; D20-K23 IonicContact OD1-NZ 3.92Å; D20-K23 IonicContact OD2-NZ 3.52Å; D20-K23 PolarHBondContact OD2-NZ 3.47Å
21S35.8Very low42.8Very low68 Ų68115.8 Ų115.848%0.47674%0.742SS.*  trans-51.1111.5-179.952.70000115.9K23S21-K23 PolarHBondContact O-N 3.47Å; S21-K23 WeakPolarHBondContact OG-CE 3.42Å; S21-K23 PolarHBondContact OG-NZ 2.71Å; S21-K23 VanDerWaalsContact OG-NZ 3.09Å
22A42.9Very low42.9Very low106 Ų106115 Ų11588%0.87673%0.727SS**  trans-69.388.6162.600000110.3D20D20-A22 PolarHBondContact O-N 3.26Å
23K45.9Very low43Very low144 Ų144115.6 Ų115.663%0.62672%0.721SS**PPolyproline II helixtrans-63.6143.6-177.6-70.1134.2-176134.60111.7D20 S21D20-K23 IonicContact OD1-NZ 3.92Å; D20-K23 IonicContact OD2-NZ 3.52Å; D20-K23 PolarHBondContact OD2-NZ 3.47Å; S21-K23 PolarHBondContact O-N 3.47Å; S21-K23 WeakPolarHBondContact OG-CE 3.42Å; S21-K23 PolarHBondContact OG-NZ 2.71Å; S21-K23 VanDerWaalsContact OG-NZ 3.09Å
24P45.4Very low43.3Very low123 Ų123116.9 Ų116.980%0.79971%0.714SS**PPolyproline II helixtrans-68.1145.3-176.427.9-35.3000112.7
25V46.5Very low43.5Very low131 Ų131119.5 Ų119.579%0.79471%0.708SS**PPolyproline II helixtrans-66.2128.7179.4-1800000110.3
26P46.4Very low43.8Very low107 Ų107120.2 Ų120.270%0.69569%0.692SS**PPolyproline II helixtrans-72131.5-17527.4-34.5000112.7A28P26-A28 PolarHBondContact O-N 3.4Å
27L42.9Very low44.3Very low145 Ų145118.5 Ų118.576%0.75968%0.683SS**  trans-72.534.2-179.5-64.3170.5000114.4V29 V30L27-V29 PolarHBondContact O-N 3.49Å; L27-V29 VanDerWaalsContact O-N 3.1Å; L27-V30 PolarHBondContact O-N 2.83Å
28A46.9Very low44.7Very low64 Ų64113.9 Ų113.953%0.52966%0.664SS.*THydrogen-bonded Turntrans-61.7-23.1-170.800000114.6P26 V30P26-A28 PolarHBondContact O-N 3.4Å; A28-V30 VanDerWaalsContact C-N 3.34Å; A28-V30 PolarHBondContact O-N 2.71Å
29V43.4Very low45.4Very low136 Ų136110.8 Ų110.882%0.82464%0.641SS**THydrogen-bonded Turntrans-68-31.6179.5-177.40000112.2L27L27-V29 PolarHBondContact O-N 3.49Å; L27-V29 VanDerWaalsContact O-N 3.1Å
30V43.3Very low46.1Very low114 Ų114107.6 Ų107.669%0.69161%0.61SS**THydrogen-bonded Turntrans-83.2-29.3-175.2-174.30000112.1L27 A28 L32L27-V30 PolarHBondContact O-N 2.83Å; A28-V30 VanDerWaalsContact C-N 3.34Å; A28-V30 PolarHBondContact O-N 2.71Å; V30-L32 VanDerWaalsContact C-N 3.29Å; V30-L32 PolarHBondContact O-N 3.31Å
31S44Very low47Very low83 Ų83107.9 Ų107.958%0.5861%0.611SS**THydrogen-bonded Turntrans-77.1-11.8-179.3-60.40000114.4D33S31-D33 VanDerWaalsContact C-N 3.32Å; S31-D33 PolarHBondContact O-N 3.34Å
32L47.1Very low47.8Very low105 Ų105113.9 Ų113.955%0.5562%0.623SS.*Hα-helixtrans-64.3-36.4-174.9-144.880.4000112.6V30 H35 W36V30-L32 VanDerWaalsContact C-N 3.29Å; V30-L32 PolarHBondContact O-N 3.31Å; L32-H35 PolarHBondContact O-N 3.5Å; L32-W36 VanDerWaalsContact O-CD1 3.3Å; L32-W36 PolarHBondContact O-N 2.89Å
33D50.1Low48.6Very low132 Ų132116 Ų11671%0.70662%0.615SS**Hα-helixtrans-64.7-43.6-171.5-158.841.4000112.3S31 H35 A37S31-D33 VanDerWaalsContact C-N 3.32Å; S31-D33 PolarHBondContact O-N 3.34Å; D33-H35 PolarHBondContact O-N 3.37Å; D33-A37 PolarHBondContact O-N 2.69Å; D33-A37 VanDerWaalsContact O-N 3.16Å
34K52Low48.8Very low174 Ų174112.4 Ų112.476%0.75760%0.6SS**Hα-helixtrans-63.3-41177.1-64.3-174.9178.6-178.80112.2E38K34-E38 PolarHBondContact O-N 3.31Å
35H46.2Very low49.3Very low123 Ų123119.2 Ų119.257%0.56961%0.61SS**Hα-helixtrans-75.5-35.5-176.1-162.2-107.5000112.4L32 D33 I39L32-H35 PolarHBondContact O-N 3.5Å; D33-H35 PolarHBondContact O-N 3.37Å; H35-I39 WeakPolarHBondContact ND1-CD1 3.38Å; H35-I39 WeakPolarHBondContact O-CG1 3.43Å; H35-I39 PolarHBondContact O-N 2.75Å
36W46.8Very low50.1Low135 Ų135115.4 Ų115.451%0.51159%0.589SS.*Hα-helixtrans-67.6-40.3173.3-84.3111.7000112.9L32 T40L32-W36 VanDerWaalsContact O-CD1 3.3Å; L32-W36 PolarHBondContact O-N 2.89Å; W36-T40 HydrophobicContact CE3-CG2 4.49Å; W36-T40 WeakPolarHBondContact O-CB 3.39Å; W36-T40 WeakPolarHBondContact O-CG2 3.41Å; W36-T40 PolarHBondContact O-N 2.99Å; W36-T40 PolarHBondContact O-OG1 3Å
37A50.7Low51.1Low49 Ų49115 Ų11541%0.40559%0.587SS.*Hα-helixtrans-60.2-45.1174.700000111.5D33 T40 L41D33-A37 PolarHBondContact O-N 2.69Å; D33-A37 VanDerWaalsContact O-N 3.16Å; A37-T40 PolarHBondContact O-OG1 3.33Å; A37-L41 WeakPolarHBondContact O-CB 3.45Å; A37-L41 WeakPolarHBondContact O-CG 3.38Å; A37-L41 PolarHBondContact O-N 3.07Å
38E49.8Very low52.2Low93 Ų93111.3 Ų111.344%0.43558%0.577SS.*Hα-helixtrans-68.2-43.1179.3-174.8162.6-157.100113K34 R42K34-E38 PolarHBondContact O-N 3.31Å; E38-R42 HydrophobicContact CG-CG 4.22Å; E38-R42 VanDerWaalsContact O-CB 3.31Å; E38-R42 WeakPolarHBondContact O-CB 3.33Å; E38-R42 WeakPolarHBondContact O-CG 3.31Å; E38-R42 PolarHBondContact O-N 2.96Å; E38-R42 IonicContact OE1-CZ 2.71Å; E38-R42 IonicContact OE1-NE 3.15Å; E38-R42 PolarHBondContact OE1-NE 2.94Å; E38-R42 IonicContact OE1-NH2 3.76Å; E38-R42 PolarHBondContact OE1-NH2 3.42Å
39I56.3Low53.4Low58 Ų58111.1 Ų111.130%0.29757%0.569SS.*Hα-helixtrans-60.3-49.6175.8-73.8173.3000110.9H35 L41 R42 Q43H35-I39 WeakPolarHBondContact ND1-CD1 3.38Å; H35-I39 WeakPolarHBondContact O-CG1 3.43Å; H35-I39 PolarHBondContact O-N 2.75Å; I39-L41 PolarHBondContact O-N 3.47Å; I39-R42 PolarHBondContact O-N 3.36Å; I39-Q43 WeakPolarHBondContact O-CB 3.43Å; I39-Q43 PolarHBondContact O-N 2.91Å
40T51.9Low54.5Low38 Ų38105.5 Ų105.523%0.23354%0.537CS..Hα-helixtrans-67.9-35.8-175.351.20000112.6W36 A37 H44W36-T40 HydrophobicContact CE3-CG2 4.49Å; W36-T40 WeakPolarHBondContact O-CB 3.39Å; W36-T40 WeakPolarHBondContact O-CG2 3.41Å; W36-T40 PolarHBondContact O-N 2.99Å; W36-T40 PolarHBondContact O-OG1 3Å; A37-T40 PolarHBondContact O-OG1 3.33Å; T40-H44 WeakPolarHBondContact O-CB 3.33Å; T40-H44 PolarHBondContact O-N 3.46Å; T40-H44 VanDerWaalsContact O-N 3.13Å
41L52Low55.8Low137 Ų137105.9 Ų105.972%0.71753%0.533SS*.Hα-helixtrans-73.8-35174.2-75.4167.6000113.6A37 I39A37-L41 WeakPolarHBondContact O-CB 3.45Å; A37-L41 WeakPolarHBondContact O-CG 3.38Å; A37-L41 PolarHBondContact O-N 3.07Å; I39-L41 PolarHBondContact O-N 3.47Å
42R54.3Low57.2Low195 Ų195107.7 Ų107.774%0.73654%0.535SS*.Hα-helixtrans-77.5-32.5178.8-72-173.3-174.5-87.95.3113.6E38 I39E38-R42 HydrophobicContact CG-CG 4.22Å; E38-R42 VanDerWaalsContact O-CB 3.31Å; E38-R42 WeakPolarHBondContact O-CB 3.33Å; E38-R42 WeakPolarHBondContact O-CG 3.31Å; E38-R42 PolarHBondContact O-N 2.96Å; E38-R42 IonicContact OE1-CZ 2.71Å; E38-R42 IonicContact OE1-NE 3.15Å; E38-R42 PolarHBondContact OE1-NE 2.94Å; E38-R42 IonicContact OE1-NH2 3.76Å; E38-R42 PolarHBondContact OE1-NH2 3.42Å; I39-R42 PolarHBondContact O-N 3.36Å
43Q58.8Low58.5Low151 Ų151105.3 Ų105.371%0.70653%0.527SS*.Hα-helixtrans-94.4-31.5-177-68-173.8-26.400114.1I39I39-Q43 WeakPolarHBondContact O-CB 3.43Å; I39-Q43 PolarHBondContact O-N 2.91Å
44H50.2Low59.4Low68 Ų68105.6 Ų105.632%0.31552%0.522SS..  trans-99.998.8177-68.7-58.4000112.4T40 S46 V49 A50T40-H44 WeakPolarHBondContact O-CB 3.33Å; T40-H44 PolarHBondContact O-N 3.46Å; T40-H44 VanDerWaalsContact O-N 3.13Å; H44-S46 PolarHBondContact O-N 2.91Å; H44-V49 HydrophobicContact CB-CB 4.39Å; H44-V49 VanDerWaalsContact CE1-CG1 3.47Å; H44-V49 WeakPolarHBondContact CE1-CG1 3.33Å; H44-V49 WeakPolarHBondContact ND1-CG1 3.33Å; H44-A50 HydrophobicContact CB-CB 4.44Å
45R55.7Low60.5Low265 Ų265100 Ų100100%150%0.5SS*.SBendtrans-58.76168.3-116.3179.9-176.5166.21.1115.3
46S64.1Low61.8Low51 Ų51101.3 Ų101.336%0.35750%0.502SS..SBendtrans-143.5120.3174.9174.10000109.8H44 A48 V49H44-S46 PolarHBondContact O-N 2.91Å; S46-A48 PolarHBondContact O-N 3.49Å; S46-A48 VanDerWaalsContact O-N 3.16Å; S46-V49 PolarHBondContact O-N 3.25Å; S46-V49 VanDerWaalsContact O-N 3.09Å
47P66.9Low63Low100 Ų10098.2 Ų98.265%0.64950%0.497SS*.Hα-helixtrans-64.6-21.2-178.726.6-34.7000112.7V49 A50 M51P47-V49 VanDerWaalsContact C-N 3.26Å; P47-V49 PolarHBondContact O-N 3.44Å; P47-A50 PolarHBondContact O-N 3.4Å; P47-M51 WeakPolarHBondContact O-CB 3.44Å; P47-M51 WeakPolarHBondContact O-CG 3.43Å; P47-M51 PolarHBondContact O-N 3.16Å
48A65.1Low63.9Low67 Ų6798.8 Ų98.855%0.55450%0.496SS*.Hα-helixtrans-62.1-32.7174.700000112.6S46 L52S46-A48 PolarHBondContact O-N 3.49Å; S46-A48 VanDerWaalsContact O-N 3.16Å; A48-L52 WeakPolarHBondContact O-CB 3.49Å; A48-L52 PolarHBondContact O-N 2.96Å
49V72.5Confident64.8Low59 Ų59100.7 Ų100.736%0.35850%0.499SS..Hα-helixtrans-77.1-43178.7-170.70000110.6H44 S46 P47 M51 L52 C53H44-V49 HydrophobicContact CB-CB 4.39Å; H44-V49 VanDerWaalsContact CE1-CG1 3.47Å; H44-V49 WeakPolarHBondContact CE1-CG1 3.33Å; H44-V49 WeakPolarHBondContact ND1-CG1 3.33Å; S46-V49 PolarHBondContact O-N 3.25Å; S46-V49 VanDerWaalsContact O-N 3.09Å; P47-V49 VanDerWaalsContact C-N 3.26Å; P47-V49 PolarHBondContact O-N 3.44Å; V49-M51 VanDerWaalsContact C-N 3.32Å; V49-M51 PolarHBondContact O-N 3.13Å; V49-L52 PolarHBondContact O-N 3.31Å; V49-L52 VanDerWaalsContact O-N 3.13Å; V49-C53 PolarHBondContact O-N 2.98Å; V49-C53 PolarHBondContact O-SG 3.4Å; V49-C53 VanDerWaalsContact O-SG 3.38Å
50A65.8Low65.4Low19 Ų19103.5 Ų103.516%0.15751%0.51CS..Hα-helixtrans-57.2-44.8173.100000111.7H44 P47 L52 C53 F54H44-A50 HydrophobicContact CB-CB 4.44Å; P47-A50 PolarHBondContact O-N 3.4Å; A50-L52 PolarHBondContact O-N 3.36Å; A50-C53 PolarHBondContact O-N 3.09Å; A50-F54 WeakPolarHBondContact O-CB 3.26Å; A50-F54 PolarHBondContact O-N 3.15Å
51M71.3Confident66.3Low122 Ų122106.5 Ų106.560%0.60152%0.523SS*.Hα-helixtrans-63.1-38.6174.6-74-66.8-72.700113.1P47 V49 N55P47-M51 WeakPolarHBondContact O-CB 3.44Å; P47-M51 WeakPolarHBondContact O-CG 3.43Å; P47-M51 PolarHBondContact O-N 3.16Å; V49-M51 VanDerWaalsContact C-N 3.32Å; V49-M51 PolarHBondContact O-N 3.13Å; M51-N55 WeakPolarHBondContact O-CB 3.38Å; M51-N55 PolarHBondContact O-N 2.69Å
52L74.3Confident67.1Low120 Ų120104.4 Ų104.463%0.62852%0.516SS*.Hα-helixtrans-67.1-44.2176.9-173.966.7000111.6A48 V49 A50 N55 Y56A48-L52 WeakPolarHBondContact O-CB 3.49Å; A48-L52 PolarHBondContact O-N 2.96Å; V49-L52 PolarHBondContact O-N 3.31Å; V49-L52 VanDerWaalsContact O-N 3.13Å; A50-L52 PolarHBondContact O-N 3.36Å; L52-N55 PolarHBondContact O-N 3.05Å; L52-Y56 WeakPolarHBondContact O-CB 3.29Å; L52-Y56 PolarHBondContact O-N 3.02Å
53C73.6Confident67.6Low56 Ų5697.5 Ų97.538%0.37850%0.498SS..Hα-helixtrans-62.2-45.3174.9-69.60000111.6V49 A50 N55 Y56 T57V49-C53 PolarHBondContact O-N 2.98Å; V49-C53 PolarHBondContact O-SG 3.4Å; V49-C53 VanDerWaalsContact O-SG 3.38Å; A50-C53 PolarHBondContact O-N 3.09Å; C53-N55 PolarHBondContact O-N 2.98Å; C53-Y56 PolarHBondContact O-N 3.42Å; C53-T57 PolarHBondContact O-N 3.04Å; C53-T57 PolarHBondContact O-OG1 3.38Å
54F70.1Confident67.8Low137 Ų13793.2 Ų93.260%0.60148%0.482SS*.Hα-helixtrans-59.4-47.2174.6-178.9-98.1000111.7A50 Y56 T57 V58A50-F54 WeakPolarHBondContact O-CB 3.26Å; A50-F54 PolarHBondContact O-N 3.15Å; F54-Y56 VanDerWaalsContact C-N 3.32Å; F54-Y56 PolarHBondContact O-N 3.39Å; F54-T57 PolarHBondContact O-N 3.39Å; F54-V58 HydrophobicContact CD1-CG2 4.23Å; F54-V58 HydrophobicContact CD2-CG2 4.48Å; F54-V58 HydrophobicContact CE1-CG2 3.84Å; F54-V58 HydrophobicContact CE2-CG2 4.12Å; F54-V58 HydrophobicContact CZ-CG2 3.79Å; F54-V58 WeakPolarHBondContact O-CG2 3.34Å; F54-V58 PolarHBondContact O-N 3.39Å
55N74.7Confident68Low56 Ų5692.9 Ų92.930%0.29949%0.486SS..Hα-helixtrans-63-38.7178.5-156.5-83.9000111.9M51 L52 C53 R59M51-N55 WeakPolarHBondContact O-CB 3.38Å; M51-N55 PolarHBondContact O-N 2.69Å; L52-N55 PolarHBondContact O-N 3.05Å; C53-N55 PolarHBondContact O-N 2.98Å; N55-R59 VanDerWaalsContact O-CB 3.27Å; N55-R59 WeakPolarHBondContact O-CB 3.37Å; N55-R59 WeakPolarHBondContact O-CG 3.4Å; N55-R59 PolarHBondContact O-N 3.16Å; N55-R59 WeakPolarHBondContact OD1-CD 3.44Å
56Y72.4Confident68Low152 Ų15284.5 Ų84.560%0.59646%0.464SS*.Hα-helixtrans-63.7-47.6175-172.2-94000112L52 C53 F54 R59 F60L52-Y56 WeakPolarHBondContact O-CB 3.29Å; L52-Y56 PolarHBondContact O-N 3.02Å; C53-Y56 PolarHBondContact O-N 3.42Å; F54-Y56 VanDerWaalsContact C-N 3.32Å; F54-Y56 PolarHBondContact O-N 3.39Å; Y56-R59 PolarHBondContact O-N 3.26Å; Y56-F60 WeakPolarHBondContact O-CB 3.36Å; Y56-F60 PolarHBondContact O-N 3.06Å
57T72.5Confident67.5Low69 Ų6987.3 Ų87.342%0.42347%0.474SS..Hα-helixtrans-62-45.6177.8-60.60000111.9C53 F54 F60 L61C53-T57 PolarHBondContact O-N 3.04Å; C53-T57 PolarHBondContact O-OG1 3.38Å; F54-T57 PolarHBondContact O-N 3.39Å; T57-F60 PolarHBondContact O-N 3.49Å; T57-L61 HydrophobicContact CG2-CD1 4.1Å; T57-L61 WeakPolarHBondContact O-CG 3.46Å; T57-L61 PolarHBondContact O-N 2.91Å
58V70.6Confident66.7Low62 Ų6285.6 Ų85.638%0.37646%0.464SS..Hα-helixtrans-62.9-43.9175.8172.70000111F54 F60 L61 V62F54-V58 HydrophobicContact CD1-CG2 4.23Å; F54-V58 HydrophobicContact CD2-CG2 4.48Å; F54-V58 HydrophobicContact CE1-CG2 3.84Å; F54-V58 HydrophobicContact CE2-CG2 4.12Å; F54-V58 HydrophobicContact CZ-CG2 3.79Å; F54-V58 WeakPolarHBondContact O-CG2 3.34Å; F54-V58 PolarHBondContact O-N 3.39Å; V58-F60 VanDerWaalsContact C-N 3.33Å; V58-F60 PolarHBondContact O-N 3.35Å; V58-L61 PolarHBondContact O-N 3Å; V58-V62 HydrophobicContact CG1-CG2 4.45Å; V58-V62 WeakPolarHBondContact O-CB 3.33Å; V58-V62 WeakPolarHBondContact O-CG2 3.43Å; V58-V62 PolarHBondContact O-N 3.2Å
59R68.5Low65.9Low132 Ų13289.2 Ų89.250%0.49846%0.464SS..Hα-helixtrans-61.9-39.1175-76.5-179.76991.16.8112N55 Y56 S63 F455N55-R59 VanDerWaalsContact O-CB 3.27Å; N55-R59 WeakPolarHBondContact O-CB 3.37Å; N55-R59 WeakPolarHBondContact O-CG 3.4Å; N55-R59 PolarHBondContact O-N 3.16Å; N55-R59 WeakPolarHBondContact OD1-CD 3.44Å; Y56-R59 PolarHBondContact O-N 3.26Å; R59-S63 WeakPolarHBondContact O-CB 3.47Å; R59-S63 PolarHBondContact O-N 3.37Å; R59-S63 PolarHBondContact O-OG 3.05Å; R59-F455 VanDerWaalsContact NH1-CZ 3.29Å
60F68.3Low64.8Low118 Ų11892.2 Ų92.252%0.51848%0.477SS..Hα-helixtrans-64.2-50.8177.2-176-96.4000111.1Y56 T57 V58 V62 S63 V64Y56-F60 WeakPolarHBondContact O-CB 3.36Å; Y56-F60 PolarHBondContact O-N 3.06Å; T57-F60 PolarHBondContact O-N 3.49Å; V58-F60 VanDerWaalsContact C-N 3.33Å; V58-F60 PolarHBondContact O-N 3.35Å; F60-V62 VanDerWaalsContact C-N 3.31Å; F60-V62 PolarHBondContact O-N 3.09Å; F60-S63 PolarHBondContact O-N 3.29Å; F60-V64 HydrophobicContact CD1-CG2 4.18Å; F60-V64 HydrophobicContact CE1-CG2 3.82Å; F60-V64 HydrophobicContact CE2-CG2 4.37Å; F60-V64 HydrophobicContact CZ-CG2 3.92Å; F60-V64 WeakPolarHBondContact O-CG2 3.34Å; F60-V64 PolarHBondContact O-N 2.85Å
61L70.9Confident64Low100 Ų10098.2 Ų98.252%0.52450%0.5SS..Hα-helixtrans-61.2-35.7178.3-68.8172.2000113T57 V58 P65T57-L61 HydrophobicContact CG2-CD1 4.1Å; T57-L61 WeakPolarHBondContact O-CG 3.46Å; T57-L61 PolarHBondContact O-N 2.91Å; V58-L61 PolarHBondContact O-N 3Å; L61-P65 WeakPolarHBondContact O-CD 3.46Å
62V69.3Low62.8Low94 Ų9497.3 Ų97.357%0.5750%0.498SS*.Hα-helixtrans-74.8-32.3173.2173.30000112V58 F60 V66V58-V62 HydrophobicContact CG1-CG2 4.45Å; V58-V62 WeakPolarHBondContact O-CB 3.33Å; V58-V62 WeakPolarHBondContact O-CG2 3.43Å; V58-V62 PolarHBondContact O-N 3.2Å; F60-V62 VanDerWaalsContact C-N 3.31Å; F60-V62 PolarHBondContact O-N 3.09Å; V62-V66 WeakPolarHBondContact O-CG2 3.35Å
63S63.6Low61.5Low49 Ų4994.4 Ų94.434%0.34349%0.491SS..Hα-helixtrans-74.9-34.8-179.5-60.40000113.1R59 F60 V66 L67R59-S63 WeakPolarHBondContact O-CB 3.47Å; R59-S63 PolarHBondContact O-N 3.37Å; R59-S63 PolarHBondContact O-OG 3.05Å; F60-S63 PolarHBondContact O-N 3.29Å; S63-V66 PolarHBondContact O-N 3.15Å; S63-V66 VanDerWaalsContact O-N 3.15Å; S63-L67 WeakPolarHBondContact O-CB 3.39Å; S63-L67 WeakPolarHBondContact O-CG 2.99Å; S63-L67 PolarHBondContact O-N 2.98Å
64V62.6Low60.1Low61 Ų6193.7 Ų93.737%0.3749%0.493SS..Hα-helixtrans-56.9-52.3-177.2164.70000112.2F60 V66 L67 S68F60-V64 HydrophobicContact CD1-CG2 4.18Å; F60-V64 HydrophobicContact CE1-CG2 3.82Å; F60-V64 HydrophobicContact CE2-CG2 4.37Å; F60-V64 HydrophobicContact CZ-CG2 3.92Å; F60-V64 WeakPolarHBondContact O-CG2 3.34Å; F60-V64 PolarHBondContact O-N 2.85Å; V64-V66 VanDerWaalsContact C-N 3.28Å; V64-V66 PolarHBondContact O-N 3.1Å; V64-L67 PolarHBondContact O-N 3.07Å; V64-S68 PolarHBondContact O-N 3.2Å; V64-S68 PolarHBondContact O-OG 3.45Å; V64-S68 VanDerWaalsContact O-OG 3.13Å
65P55.9Low59Low62 Ų6295.9 Ų95.940%0.40350%0.497SS..Hα-helixtrans-60.6-33175.7-25.134.8000114.1L61 R69L61-P65 WeakPolarHBondContact O-CD 3.46Å; P65-R69 VanDerWaalsContact O-CG 3.27Å; P65-R69 WeakPolarHBondContact O-CG 3.45Å; P65-R69 PolarHBondContact O-N 3.16Å; P65-R69 VanDerWaalsContact O-N 3.09Å
66V56.1Low57.5Low89 Ų8997.2 Ų97.254%0.53951%0.511SS..Hα-helixtrans-71.8-42.1178.2177.40000110.7V62 S63 V64 R69 L70V62-V66 WeakPolarHBondContact O-CG2 3.35Å; S63-V66 PolarHBondContact O-N 3.15Å; S63-V66 VanDerWaalsContact O-N 3.15Å; V64-V66 VanDerWaalsContact C-N 3.28Å; V64-V66 PolarHBondContact O-N 3.1Å; V66-R69 PolarHBondContact O-N 3.19Å; V66-L70 WeakPolarHBondContact O-CB 3.38Å; V66-L70 PolarHBondContact O-N 3.01Å
67L52.2Low55.9Low109 Ų10992.3 Ų92.357%0.57151%0.506SS*.Hα-helixtrans-64.3-43.5174.7-73.9163.8000111.6S63 V64 R69 L70 F71S63-L67 WeakPolarHBondContact O-CB 3.39Å; S63-L67 WeakPolarHBondContact O-CG 2.99Å; S63-L67 PolarHBondContact O-N 2.98Å; V64-L67 PolarHBondContact O-N 3.07Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 2.97Å; L67-F71 WeakPolarHBondContact O-CB 3.44Å; L67-F71 PolarHBondContact O-N 3.1Å
68S49.9Very low54.3Low64 Ų6495.8 Ų95.845%0.44852%0.522SS..Hα-helixtrans-60-41.3174.3-60.10000112.3V64 N72V64-S68 PolarHBondContact O-N 3.2Å; V64-S68 PolarHBondContact O-OG 3.45Å; V64-S68 VanDerWaalsContact O-OG 3.13Å; S68-N72 WeakPolarHBondContact O-CB 3.5Å; S68-N72 PolarHBondContact O-N 3.49Å
69R49.1Very low52.7Low144 Ų14496.6 Ų96.654%0.54353%0.53SS..Hα-helixtrans-66.3-44.1174.3-71.9175.7-156.8-161.56.5112.1P65 V66 L67 F71 N72 A73 L182P65-R69 VanDerWaalsContact O-CG 3.27Å; P65-R69 WeakPolarHBondContact O-CG 3.45Å; P65-R69 PolarHBondContact O-N 3.16Å; P65-R69 VanDerWaalsContact O-N 3.09Å; V66-R69 PolarHBondContact O-N 3.19Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 2.97Å; R69-F71 PolarHBondContact O-N 3.23Å; R69-N72 PolarHBondContact O-N 3.3Å; R69-A73 VanDerWaalsContact O-CB 3.25Å; R69-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 PolarHBondContact O-N 2.75Å; R69-L182 VanDerWaalsContact NH2-CD2 3.35Å
70L49Very low51.3Low121 Ų121101 Ų10163%0.63455%0.547SS*.Hα-helixtrans-63.4-41.8179.8-169.368.9000111.7V66 L67 G74V66-L70 WeakPolarHBondContact O-CB 3.38Å; V66-L70 PolarHBondContact O-N 3.01Å; L67-L70 PolarHBondContact O-N 2.97Å; L70-G74 PolarHBondContact O-N 2.69Å
71F48.3Very low49.9Very low146 Ų14699.1 Ų99.164%0.6455%0.552SS**Hα-helixtrans-68.3-41.4178.3-157-97.9000112L67 R69 R75L67-F71 WeakPolarHBondContact O-CB 3.44Å; L67-F71 PolarHBondContact O-N 3.1Å; R69-F71 PolarHBondContact O-N 3.23Å; F71-R75 PolarHBondContact O-N 3.01Å; F71-R75 VanDerWaalsContact O-N 3.1Å
72N46.3Very low48.2Very low103 Ų10397.2 Ų97.255%0.55156%0.557SS**Hα-helixtrans-69.9-37.5175.5-78.4-18.3000112.8S68 R69 R75 S76S68-N72 WeakPolarHBondContact O-CB 3.5Å; S68-N72 PolarHBondContact O-N 3.49Å; R69-N72 PolarHBondContact O-N 3.3Å; N72-R75 PolarHBondContact O-N 2.9Å; N72-S76 PolarHBondContact O-N 3.42Å; N72-S76 PolarHBondContact O-OG 3.49Å
73A48.5Very low46.7Very low59 Ų5999.5 Ų99.549%0.48856%0.561SS.*Hα-helixtrans-65.1-41.317400000112R69 R75 S76 G77R69-A73 VanDerWaalsContact O-CB 3.25Å; R69-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 PolarHBondContact O-N 2.75Å; A73-R75 VanDerWaalsContact C-N 3.3Å; A73-R75 PolarHBondContact O-N 2.94Å; A73-S76 PolarHBondContact O-N 3.5Å; A73-S76 PolarHBondContact O-OG 3.38Å; A73-G77 PolarHBondContact O-N 2.93Å
74G44.1Very low45.4Very low40 Ų40100.4 Ų100.441%0.41257%0.572SS.*Hα-helixtrans-60.2-38.417300000112.8L70L70-G74 PolarHBondContact O-N 2.69Å
75R46.1Very low44.3Very low184 Ų184105.3 Ų105.369%0.69459%0.59SS**Hα-helixtrans-72.6-39.4176.2-110.2177.9170.1172.3-3.3113.7F71 N72 A73F71-R75 PolarHBondContact O-N 3.01Å; F71-R75 VanDerWaalsContact O-N 3.1Å; N72-R75 PolarHBondContact O-N 2.9Å; A73-R75 VanDerWaalsContact C-N 3.3Å; A73-R75 PolarHBondContact O-N 2.94Å
76S43.7Very low43.2Very low84 Ų84107.1 Ų107.159%0.58760%0.601SS**Hα-helixtrans-81-25.7-177.358.80000114N72 A73N72-S76 PolarHBondContact O-N 3.42Å; N72-S76 PolarHBondContact O-OG 3.49Å; A73-S76 PolarHBondContact O-N 3.5Å; A73-S76 PolarHBondContact O-OG 3.38Å
77G39.1Very low42.3Very low49 Ų49105.8 Ų105.851%0.50560%0.599SS.*Hα-helixtrans-71.4-42.4174.200000113.9A73A73-G77 PolarHBondContact O-N 2.93Å
78L37.7Very low41.5Very low142 Ų142108.2 Ų108.274%0.74361%0.607SS**Hα-helixtrans-75.9-27.3-174.4-78.5165.9000113.9R80L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.89Å
79S38.1Very low40.9Very low78 Ų78110.7 Ų110.755%0.54562%0.619SS.*Hα-helixtrans-77.5-8.9-176.8-162.60000114.9
80R37.9Very low40.3Very low226 Ų226109.8 Ų109.885%0.85363%0.629SS**Hα-helixtrans-111.4-11.1-175.5-150.9172.2-173175.82114.7L78L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.89Å
81A38.8Very low39.6Very low77 Ų77113.5 Ų113.564%0.63664%0.635SS**Hα-helixtrans-102.2-22.817700000113.7
82G35.6Very low39Very low60 Ų60110.4 Ų110.462%0.61964%0.636SS**SBendtrans-86.3-7.4-178.600000115.9
83Q38.1Very low38.7Very low142 Ų142114.1 Ų114.166%0.66465%0.65SS**SBendtrans-111.27.2-167-155162.5-26.300113.8
84A36.5Very low38.1Very low68 Ų68115.9 Ų115.956%0.56267%0.665SS**SBendtrans-99.8-9-177.700000114.8
85H38.9Very low37.7Very low164 Ų164118.5 Ų118.576%0.75968%0.677SS**SBendtrans-120.911.5-174.4-71.7-64.4000114.9
86T34Very low37.4Very low101 Ų101117.9 Ų117.962%0.6269%0.686SS**SBendtrans-121.2-2.1176.446.30000113.6
87A35.5Very low37.2Very low60 Ų60119.3 Ų119.350%0.49669%0.693SS.*SBendtrans-90.30.6-178.700000114.8R91A87-R91 PolarHBondContact O-NH1 2.92Å; A87-R91 VanDerWaalsContact O-NH1 3.07Å
88E36.6Very low36.9Very low160 Ų160123.9 Ų123.975%0.74871%0.712SS**SBendtrans-112.3-18.5-171.1-158.5165.3-141.500114.1
89V36.7Very low37Very low116 Ų116121.6 Ų121.670%0.70371%0.713SS**SBendtrans-82.2-20.8177.2-178.10000112.5
90V36.9Very low37.1Very low125 Ų125122.3 Ų122.376%0.75872%0.724SS**THydrogen-bonded Turntrans-89.9-6-176.3-175.80000113
91R34.1Very low37.1Very low200 Ų200116.7 Ų116.776%0.75572%0.719SS**THydrogen-bonded Turntrans-99.14.3-179.1-163.3170.4-79.699.6-1.9113.9A87A87-R91 PolarHBondContact O-NH1 2.92Å; A87-R91 VanDerWaalsContact O-NH1 3.07Å
92A36.7Very low37.2Very low80 Ų80121.5 Ų121.566%0.66173%0.729SS**SBendtrans-110.47.4-17400000115.3
93Q38.4Very low37.3Very low182 Ų182127.4 Ų127.485%0.8574%0.74SS**SBendtrans-118.216.8-179.3-68.9-169.9-32.400113.8
94A35.9Very low37.2Very low95 Ų95125 Ų12579%0.78575%0.745SS**  trans-107.743.6-173.700000113.2
95S36.1Very low37.6Very low96 Ų96127.5 Ų127.567%0.67176%0.755SS**  trans-155.2136.117750.50000114
96L40.1Very low37.6Very low171 Ų171130.5 Ų130.590%0.89576%0.76SS**  trans76149.6167.4-62.1161.1000117
97P40.5Very low37.8Very low113 Ų113132.2 Ų132.273%0.73477%0.765SS**  trans-129.9170-135.140.6-24.6000117.6
98T31.7Very low38.1Very low146 Ų146139.9 Ų139.990%0.89678%0.781SS**  trans-23.6124168.3-46.70000118.1
99A40.4Very low38.1Very low93 Ų93139.3 Ų139.377%0.76979%0.788SS**  trans-155.1115154.200000112.8
100A39.1Very low38.6Very low94 Ų94138.3 Ų138.378%0.77779%0.792SS**  trans44.4141.5151.900000123.8
101S39.5Very low38.9Very low107 Ų107139.9 Ų139.975%0.74880%0.796SS**  trans49.4124.7158.9-60.30000120.2
102E39.1Very low39.4Very low179 Ų179135.8 Ų135.884%0.83679%0.793SS**  cis76.287.144.1-166.9177-145.600114
103E37.8Very low39.6Very low183 Ų183143.1 Ų143.186%0.85580%0.803SS**  -176.3158.7123.7-101.4-150.4100.100110.9
104A36.4Very low40Very low92 Ų92143.4 Ų143.476%0.7681%0.805SS**  trans-158.2121.6174.700000113.6
105P46.1Very low40.3Very low121 Ų121146.4 Ų146.479%0.78680%0.803SS**  trans-123.498.816832-16.2000114.6
106R37.3Very low40.6Very low227 Ų227151.7 Ų151.786%0.85781%0.808SS**  trans7.1143.9133.1-75.2-177.6171.6-168.1-2.2121.1
107L39.6Very low40.8Very low137 Ų137155.7 Ų155.772%0.71781%0.811SS**  trans75.5155.4152.3-60155.8000115.8
108R41Very low40.8Very low220 Ų220153.6 Ų153.683%0.8381%0.81SS**  cis-150.7167.16.1-138.2160.7-159164.53.7111
109V37.4Very low41.6Very low148 Ų148151.3 Ų151.390%0.89781%0.806SS**  trans-115.7122.8175.4175.40000111.2
110A45.7Very low41.9Very low96 Ų96153.2 Ų153.279%0.79380%0.803SS**  trans-174.4151.5167.100000107
111D44.4Very low42.6Very low158 Ų158157 Ų15785%0.84580%0.802SS**  cis-147179.9-6.6-161.80.3000109.4
112V45.1Very low43.2Very low114 Ų114157.5 Ų157.569%0.69180%0.803SS**  trans-120.7120-170.8173.10000112
113R40.2Very low43.5Very low233 Ų233160.8 Ų160.888%0.87981%0.808SS**  trans169.6170.4143-93.5146.3-163.4-163.50.7114.4
114Q47.8Very low43.7Very low188 Ų188155.8 Ų155.888%0.87980%0.798SS**  trans70108.6171.6-45.9-166.921.900114.9
115Q41Very low44.1Very low159 Ų159163 Ų16374%0.74381%0.805SS**  cis88.7109.618.1-161.7-177.329.200117.4
116R42.4Very low44.1Very low206 Ų206162.4 Ų162.478%0.77780%0.804SS**  trans79.9150.5160.8-71.6158.4-174-92.46119.6
117R43.6Very low44.7Very low255 Ų255163.5 Ų163.596%0.96281%0.808SS**  trans74.3135.5174.1-44.8179.4-167.5-139.82.5113.7
118G41.1Very low45.2Very low70 Ų70162.6 Ų162.672%0.72281%0.81SS**  cis-164.2140.2-11.900000107.8
119A47.9Very low45.2Very low97 Ų97157.1 Ų157.180%0.80281%0.812SS**  88.1140.377.500000114.1
120D47.8Very low45.4Very low133 Ų133153 Ų15371%0.71180%0.8SS**  trans68.6144.3173.2-79.8-34.5000119.2
121K53.8Low45.4Very low173 Ų173156.9 Ų156.975%0.75280%0.802SS**  cis-163.3151-15.9-143.2175-152.696.20111.2
122P51.8Low45.4Very low118 Ų118155.5 Ų155.577%0.76679%0.794SS**  trans-110155.7-179.938.9-33.7000116.1
123R44.7Very low45.4Very low249 Ų249154.6 Ų154.694%0.9480%0.799SS**  trans-173.9167.9162-104.1178.8178.7-159.80.4111
124A43Very low45.8Very low78 Ų78149.6 Ų149.665%0.64579%0.794SS**  cis-176.6147.3-49.100000111.9
125R45.7Very low45.6Very low244 Ų244146.6 Ų146.692%0.92179%0.791SS**  trans70.2159.7170.1-46.5179.7172.4-167.5-4.3115.1
126S45.8Very low45.7Very low107 Ų107142.5 Ų142.575%0.74879%0.791SS**  cis-149.2134.810-38.50000114.4
127R48.9Very low45.8Very low250 Ų250141.6 Ų141.694%0.94379%0.793SS**  trans55.5161.2131.1-78.8-163.5159.2173.1-6123.8
128P49.8Very low45.6Very low118 Ų118140.4 Ų140.477%0.76679%0.789SS**  trans-137.9-163.8-150.246.4-28000116.6
129A40.8Very low45.6Very low105 Ų105141.8 Ų141.887%0.86879%0.787SS**  trans100.5153.4158.700000118.9
130G42.3Very low45.4Very low63 Ų63142 Ų14265%0.64978%0.783SS**  trans118101.9-165.500000110.2
131E45.9Very low45.4Very low176 Ų176140.5 Ų140.582%0.82278%0.782SS**  71.4139.770.2-65.5-162.8118.200114.1
132N44.9Very low45.1Very low130 Ų130138.8 Ų138.870%0.69578%0.782SS**  cis-163.9150.8-11.5-99.2-24.2000110.5
133A45.3Very low44.7Very low95 Ų95143.4 Ų143.479%0.78578%0.784SS**  trans59.3165.9165.100000117.4
134T48.5Very low44.7Very low127 Ų127140.6 Ų140.678%0.77978%0.781SS**  cis-151.8145.318.9-52.20000111.4
135P42.6Very low44.6Very low126 Ų126142.7 Ų142.782%0.81879%0.791SS**  trans-98.1148.5176.536.4-33.1000114.6
136G42.4Very low44.5Very low72 Ų72135.2 Ų135.274%0.74278%0.781SS**  trans-163.594.8-177.100000120.2
137K45.2Very low44.2Very low188 Ų188136.6 Ų136.682%0.81779%0.786SS**  trans54.5117.6138.3-63.1174.3-177.9169.90123.1
138R39.7Very low43.8Very low230 Ų230128.9 Ų128.987%0.86878%0.775SS**  trans70.1157.1133.6-58.3175.8179.3-179.7-2.9117.2
139S40.9Very low43.5Very low98 Ų98128.6 Ų128.669%0.68577%0.774SS**  cis-150.31667.3-163.90000112.4
140S44.5Very low43.3Very low103 Ų103130.6 Ų130.672%0.7277%0.77SS**  trans25.2142.6146.753.30000121.6
141S48Very low43.1Very low100 Ų100133.3 Ų133.370%0.69977%0.774SS**  cis-158.6169.7-3.651.10000107
142D46.3Very low42.5Very low138 Ų138133.7 Ų133.774%0.73878%0.78SS**  -179178.654.7-127-58.4000111.7
143R43.6Very low42.1Very low215 Ų215138 Ų13881%0.81179%0.787SS**  trans65.687.9165.2-66.4173.6-174.8173.12.5120.2
144Q45.6Very low41.5Very low190 Ų190138.9 Ų138.989%0.88879%0.787SS**  45.7112.9117.9-61.3167.7-13.800120.3
145S40.2Very low41.4Very low121 Ų121140.5 Ų140.585%0.84679%0.789SS**  178.5140.898.4-1640000115.1
146A43.3Very low41.1Very low87 Ų87139.2 Ų139.272%0.71978%0.783SS**  trans4281.6151.700000122
147T39Very low41.1Very low137 Ų137142 Ų14284%0.8479%0.788SS**  25.7107.8123.4-45.20000121.1
148A41.6Very low40.8Very low87 Ų87140 Ų14072%0.71979%0.792SS**  26.8148.612800000123.6
149P43.4Very low40.8Very low113 Ų113132.4 Ų132.473%0.73479%0.785SS**  trans-93.2-171.7-175.540.9-39.8000115.3
150N36.8Very low40.7Very low147 Ų147133.6 Ų133.679%0.78679%0.794SS**  trans97.597.9168.5-57.7-28.8000117.5
151T37Very low40.4Very low120 Ų120133.3 Ų133.374%0.73680%0.798SS**  trans-151.6118.8134.9-31.10000111.4R153T151-R153 HydrophobicContact CG2-CG 4.1Å; T151-R153 PolarHBondContact O-N 3.13Å
152L34.4Very low40Very low183 Ų183137.4 Ų137.496%0.95881%0.811SS**  trans-68.6117.9158.5-85.4162.2000108.2
153R35.8Very low39.8Very low221 Ų221142.5 Ų142.583%0.83482%0.82SS**  trans-130.6116166.1-85.9-172.6165169.7-3.4110.7T151T151-R153 HydrophobicContact CG2-CG 4.1Å; T151-R153 PolarHBondContact O-N 3.13Å
154S32.8Very low39.7Very low113 Ų113137 Ų13779%0.7982%0.821SS**  trans-64.7136.9165.842.10000110.1
155I46.5Very low39.7Very low161 Ų161134.7 Ų134.783%0.82681%0.814SS**  trans-124.393.1165.8-58.7-178.3000106.5
156S35.6Very low40.1Very low99 Ų99134 Ų13469%0.69281%0.807SS**  trans-72.9140.7178.9-60.60000110.9T158S156-T158 PolarHBondContact O-N 3.38Å; S156-T158 VanDerWaalsContact O-N 3.12Å
157P43.7Very low39.7Very low130 Ų130136 Ų13684%0.84481%0.814SS**SBendtrans-89.676.9-165.235.6-37.8000114.4
158T38Very low40.1Very low146 Ų146134.3 Ų134.390%0.89681%0.808SS**  trans-148.6116.1162.9-55.20000110.7S156S156-T158 PolarHBondContact O-N 3.38Å; S156-T158 VanDerWaalsContact O-N 3.12Å
159G39.5Very low40.1Very low71 Ų71137.5 Ų137.573%0.73281%0.808SS**  trans-178.182-178.100000115.8
160S38.4Very low40.2Very low123 Ų123135.4 Ų135.486%0.8681%0.807SS**  trans12.8120.2152.857.30000120.9
161A38.2Very low40.9Very low98 Ų98134.8 Ų134.881%0.8181%0.809SS**  -167.4132.1118.100000111.3R163A161-R163 PolarHBondContact O-N 3.17Å
162L40.3Very low41.4Very low186 Ų186133.6 Ų133.697%0.97480%0.798SS**  trans-82.6111.6171.4-72.4169.8000109.9
163R42.3Very low42.6Very low244 Ų244130 Ų13092%0.92179%0.786SS**  trans-141.5124.2161.7-147.8176.7-166.4-138.52.2109.2A161 N165A161-R163 PolarHBondContact O-N 3.17Å; R163-N165 PolarHBondContact O-N 3.39Å
164A42.3Very low43.2Very low100 Ų100127.7 Ų127.783%0.82678%0.782SS**  trans-66.5128.7-179.400000110.3P166A164-P166 WeakPolarHBondContact O-CD 3.38Å
165N43.8Very low44Very low141 Ų141127.1 Ų127.175%0.75478%0.777SS**  trans-99.4106.1171.3-17332.3000108.9R163R163-N165 PolarHBondContact O-N 3.39Å
166P50Low43.9Very low106 Ų106128.7 Ų128.769%0.68877%0.772SS**  trans-66.9145.1173.129.7-33.7000110.1A164 S168A164-P166 WeakPolarHBondContact O-CD 3.38Å; P166-S168 PolarHBondContact O-N 3.04Å; P166-S168 VanDerWaalsContact O-N 3.17Å
167C34.2Very low44.7Very low129 Ų129129 Ų12987%0.87277%0.766SS**  trans-59.3117.9-172.3-58.10000112.6E169C167-E169 PolarHBondContact O-N 3.46Å
168S47.6Very low45Very low103 Ų103126.8 Ų126.872%0.7275%0.751SS**  trans-76.190.3169.757.90000110.1P166 G170P166-S168 PolarHBondContact O-N 3.04Å; P166-S168 VanDerWaalsContact O-N 3.17Å; S168-G170 PolarHBondContact O-N 3.47Å
169E41.5Very low45.7Very low153 Ų153126.5 Ų126.572%0.71574%0.743SS**  trans-64.399.7176.6-172.4-174.6177.100110.9C167 R176C167-E169 PolarHBondContact O-N 3.46Å; E169-R176 VanDerWaalsContact CD-NH2 3.34Å; E169-R176 IonicContact OE1-CZ 2.69Å; E169-R176 VanDerWaalsContact OE1-CZ 3.31Å; E169-R176 IonicContact OE1-NE 3.41Å; E169-R176 PolarHBondContact OE1-NE 3.41Å; E169-R176 VanDerWaalsContact OE1-NE 3.15Å; E169-R176 IonicContact OE1-NH2 2.75Å; E169-R176 PolarHBondContact OE1-NH2 3.39Å; E169-R176 IonicContact OE2-NH2 3.81Å
170G45.5Very low46Very low69 Ų69127.3 Ų127.371%0.71174%0.738SS**  trans-168.89-17400000119.9S168S168-G170 PolarHBondContact O-N 3.47Å
171T52Low46.5Very low134 Ų134124.5 Ų124.582%0.82272%0.722SS**SBendtrans-139.16.7-168.610.80000118
172D47.1Very low46.9Very low96 Ų96124 Ų12451%0.51371%0.705SS.*  trans-115.9106.2173.3-162.8-29.4000112.6F174D172-F174 PolarHBondContact O-N 3.35Å; D172-F174 WeakPolarHBondContact OD1-CB 3.21Å; D172-F174 PolarHBondContact OD1-N 3.06Å
173P59.1Low47.3Very low107 Ų107123.4 Ų123.470%0.69570%0.695SS**THydrogen-bonded Turntrans-65-17.5176.1-22.834.7000115.3
174F49.1Very low47Very low172 Ų172118.2 Ų118.275%0.75469%0.686SS**THydrogen-bonded Turntrans-88.8-17.1-172.8-66.4-86000113.5D172D172-F174 PolarHBondContact O-N 3.35Å; D172-F174 WeakPolarHBondContact OD1-CB 3.21Å; D172-F174 PolarHBondContact OD1-N 3.06Å
175C49.7Very low46.6Very low101 Ų101122.9 Ų122.968%0.68268%0.682SS**THydrogen-bonded Turntrans-85.7-5-173.9-65.90000116
176R43.8Very low46.6Very low194 Ų194121.6 Ų121.673%0.73268%0.681SS**THydrogen-bonded Turntrans-121.916.3-177.6-77.3-169.8171.6-144.72.3115.4E169 P178E169-R176 VanDerWaalsContact CD-NH2 3.34Å; E169-R176 IonicContact OE1-CZ 2.69Å; E169-R176 VanDerWaalsContact OE1-CZ 3.31Å; E169-R176 IonicContact OE1-NE 3.41Å; E169-R176 PolarHBondContact OE1-NE 3.41Å; E169-R176 VanDerWaalsContact OE1-NE 3.15Å; E169-R176 IonicContact OE1-NH2 2.75Å; E169-R176 PolarHBondContact OE1-NH2 3.39Å; E169-R176 IonicContact OE2-NH2 3.81Å; R176-P178 VanDerWaalsContact O-CD 3.26Å; R176-P178 WeakPolarHBondContact O-CD 3.27Å
177L52.9Low46.4Very low107 Ų107122.8 Ų122.856%0.5668%0.678SS**  trans-78.9112.2172-95.8154.8000111L179L177-L179 PolarHBondContact O-N 3.32Å
178P50.2Low47Very low83 Ų83119.7 Ų119.754%0.53966%0.662SS.*  trans-68.2125.9174.428.4-33.5000109.6R176 S180 A181R176-P178 VanDerWaalsContact O-CD 3.26Å; R176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-S180 PolarHBondContact O-N 3.3Å; P178-A181 HydrophobicContact CG-CB 4.36Å; P178-A181 WeakPolarHBondContact O-CB 3.42Å; P178-A181 PolarHBondContact O-N 3.06Å
179L51.6Low47Very low139 Ų139119.5 Ų119.573%0.72866%0.655SS**G310 helixtrans-53.9-29.1-176.2-73.7164.4000113.4L177 A181 L182L177-L179 PolarHBondContact O-N 3.32Å; L179-A181 PolarHBondContact O-N 3.02Å; L179-L182 PolarHBondContact O-N 2.93Å
180S46.1Very low47.6Very low88 Ų88118.5 Ų118.562%0.61565%0.651SS**G310 helixtrans-57-27.7175.3-42.40000114.2P178 L182P178-S180 PolarHBondContact O-N 3.3Å; S180-L182 PolarHBondContact O-N 3.4Å
181A49.1Very low48.1Very low64 Ų64120.3 Ų120.353%0.52964%0.644SS.*G310 helixtrans-76.6-5.7-17900000113.9P178 L179P178-A181 HydrophobicContact CG-CB 4.36Å; P178-A181 WeakPolarHBondContact O-CB 3.42Å; P178-A181 PolarHBondContact O-N 3.06Å; L179-A181 PolarHBondContact O-N 3.02Å
182L47.8Very low48.9Very low88 Ų88116.2 Ų116.246%0.46163%0.628SS.*G310 helixtrans-103.61.4177.9-64.7-174000114.2R69 L179 S180R69-L182 VanDerWaalsContact NH2-CD2 3.35Å; L179-L182 PolarHBondContact O-N 2.93Å; S180-L182 PolarHBondContact O-N 3.4Å
183F48.1Very low49.4Very low173 Ų173115.1 Ų115.176%0.75962%0.622SS**SBendtrans-124.91-173.8-76.8-81.5000115.1
184N36.5Very low49.1Very low135 Ų135115.6 Ų115.672%0.72262%0.618SS**SBendtrans-121.7104.8-179.6-77.6-29000112
185W34Very low49.7Very low199 Ų199111.9 Ų111.975%0.75461%0.606SS**  trans65.5150.6177-125.1-125.5000114.1E187W185-E187 VanDerWaalsContact CD2-N 3.3Å; W185-E187 VanDerWaalsContact CE2-N 3.27Å; W185-E187 HydrophobicContact CZ2-CB 4.23Å; W185-E187 HydrophobicContact CZ2-CG 4.35Å
186P43.7Very low50.4Low113 Ų113114.8 Ų114.873%0.73460%0.602SS**  cis-103.4134.827.537-33000116.4A188P186-A188 PolarHBondContact O-N 3.14Å
187E45.1Very low51.1Low132 Ų132110.9 Ų110.962%0.61759%0.594SS**  45.746.8128.3-150.2143.9-121.600118.2W185 V189W185-E187 VanDerWaalsContact CD2-N 3.3Å; W185-E187 VanDerWaalsContact CE2-N 3.27Å; W185-E187 HydrophobicContact CZ2-CB 4.23Å; W185-E187 HydrophobicContact CZ2-CG 4.35Å; E187-V189 HydrophobicContact CG-CG2 4.27Å; E187-V189 PolarHBondContact O-N 3.3Å
188A46Very low51.4Low64 Ų64113 Ų11353%0.52960%0.595SS.*G310 helixtrans-72.625.2-176.500000115.4P186 H190 L191P186-A188 PolarHBondContact O-N 3.14Å; A188-H190 PolarHBondContact O-N 2.9Å; A188-H190 VanDerWaalsContact O-N 3.14Å; A188-L191 HydrophobicContact CB-CB 4.22Å; A188-L191 PolarHBondContact O-N 3.29Å
189V48.3Very low51.5Low98 Ų98112.4 Ų112.459%0.59459%0.59SS**G310 helixtrans-56.1-34.3-172.3-178.70000112.4E187E187-V189 HydrophobicContact CG-CG2 4.27Å; E187-V189 PolarHBondContact O-N 3.3Å
190H53.8Low51.4Low132 Ų132113.6 Ų113.661%0.61159%0.585SS**G310 helixtrans-100.7-0.2-179.3-56.5-53.4000114.7A188 D193 L194A188-H190 PolarHBondContact O-N 2.9Å; A188-H190 VanDerWaalsContact O-N 3.14Å; H190-D193 IonicContact ND1-OD2 3.31Å; H190-D193 PolarHBondContact O-N 2.95Å; H190-L194 PolarHBondContact O-N 2.83Å; H190-L194 VanDerWaalsContact O-N 3.13Å
191L56.1Low51.3Low108 Ų108111.4 Ų111.457%0.56557%0.572SS**Hα-helixtrans-73.4-32.1178.3-129.775.4000111.8A188 D193 L195A188-L191 HydrophobicContact CB-CB 4.22Å; A188-L191 PolarHBondContact O-N 3.29Å; L191-D193 VanDerWaalsContact C-N 3.34Å; L191-L195 PolarHBondContact O-N 3.04Å
192G68.8Low50.9Low47 Ų47110.6 Ų110.649%0.48556%0.562SS.*Hα-helixtrans-61.8-41.6170.800000112L195 R196G192-L195 PolarHBondContact O-N 3.28Å; G192-R196 VanDerWaalsContact O-CB 3.24Å; G192-R196 WeakPolarHBondContact O-CB 3.46Å; G192-R196 PolarHBondContact O-N 3.19Å
193D57.4Low50.6Low74 Ų74110.9 Ų110.940%0.39657%0.568SS.*Hα-helixtrans-66.9-43.6177.5-66.3-43000112.1H190 L191 L195 R196 I197H190-D193 IonicContact ND1-OD2 3.31Å; H190-D193 PolarHBondContact O-N 2.95Å; L191-D193 VanDerWaalsContact C-N 3.34Å; D193-L195 VanDerWaalsContact C-N 3.33Å; D193-L195 PolarHBondContact O-N 3.08Å; D193-R196 PolarHBondContact O-N 3.1Å; D193-R196 VanDerWaalsContact O-N 3.16Å; D193-I197 WeakPolarHBondContact O-CB 3.45Å; D193-I197 WeakPolarHBondContact O-CD1 3.32Å; D193-I197 WeakPolarHBondContact O-CG1 3.2Å; D193-I197 PolarHBondContact O-N 2.96Å
194L53.6Low50.2Low116 Ų116108.8 Ų108.861%0.60756%0.564SS**Hα-helixtrans-57.5-44.4175.5-109.269.8000112.3H190 W198H190-L194 PolarHBondContact O-N 2.83Å; H190-L194 VanDerWaalsContact O-N 3.13Å; L194-W198 WeakPolarHBondContact O-CB 3.32Å; L194-W198 PolarHBondContact O-N 3.35Å
195L61.5Low50.2Low95 Ų95109.3 Ų109.350%0.49757%0.566SS.*Hα-helixtrans-68.1-38176.2-74.6168000112.1L191 G192 D193 W198 V199L191-L195 PolarHBondContact O-N 3.04Å; G192-L195 PolarHBondContact O-N 3.28Å; D193-L195 VanDerWaalsContact C-N 3.33Å; D193-L195 PolarHBondContact O-N 3.08Å; L195-W198 PolarHBondContact O-N 3.42Å; L195-V199 WeakPolarHBondContact O-CB 3.41Å; L195-V199 WeakPolarHBondContact O-CG2 3.21Å; L195-V199 PolarHBondContact O-N 3.48Å
196R65.1Low50.2Low161 Ų161109.5 Ų109.561%0.60857%0.568SS**Hα-helixtrans-69.5-34.9178-163.3178.3-166.6-1685.3112.5G192 D193 R200G192-R196 VanDerWaalsContact O-CB 3.24Å; G192-R196 WeakPolarHBondContact O-CB 3.46Å; G192-R196 PolarHBondContact O-N 3.19Å; D193-R196 PolarHBondContact O-N 3.1Å; D193-R196 VanDerWaalsContact O-N 3.16Å; R196-R200 WeakPolarHBondContact O-CB 3.24Å; R196-R200 WeakPolarHBondContact O-CG 3.44Å; R196-R200 PolarHBondContact O-N 3.18Å; R196-R200 VanDerWaalsContact O-N 3.13Å
197I57.6Low49.5Very low112 Ų112107.2 Ų107.257%0.57457%0.565SS**Hα-helixtrans-68.3-45.4171.3-69.8163.6000109.7D193 R200 A201D193-I197 WeakPolarHBondContact O-CB 3.45Å; D193-I197 WeakPolarHBondContact O-CD1 3.32Å; D193-I197 WeakPolarHBondContact O-CG1 3.2Å; D193-I197 PolarHBondContact O-N 2.96Å; I197-R200 PolarHBondContact O-N 2.77Å; I197-A201 WeakPolarHBondContact O-CB 3.37Å; I197-A201 PolarHBondContact O-N 3.41Å
198W58.9Low49Very low152 Ų152109.1 Ų109.158%0.57658%0.579SS**Hα-helixtrans-63.9-45.4178.7-168.659.3000112.2L194 L195 R200 A201 S202L194-W198 WeakPolarHBondContact O-CB 3.32Å; L194-W198 PolarHBondContact O-N 3.35Å; L195-W198 PolarHBondContact O-N 3.42Å; W198-R200 VanDerWaalsContact C-N 3.32Å; W198-R200 PolarHBondContact O-N 3.28Å; W198-A201 PolarHBondContact O-N 3.47Å; W198-S202 WeakPolarHBondContact O-CB 3.47Å; W198-S202 PolarHBondContact O-N 3.43Å; W198-S202 PolarHBondContact O-OG 2.96Å
199V53Low48.2Very low70 Ų70109.1 Ų109.142%0.42459%0.585SS.*Hα-helixtrans-60.3-39.7174.9170.40000111.7L195 T203L195-V199 WeakPolarHBondContact O-CB 3.41Å; L195-V199 WeakPolarHBondContact O-CG2 3.21Å; L195-V199 PolarHBondContact O-N 3.48Å; V199-T203 PolarHBondContact O-N 3.25Å; V199-T203 PolarHBondContact O-OG1 3.46Å
200R48.3Very low47.3Very low165 Ų165114.1 Ų114.162%0.62360%0.599SS**Hα-helixtrans-70.5-35.3174.5-80.8179161.3179.3-7.4113.6R196 I197 W198 T203 N204R196-R200 WeakPolarHBondContact O-CB 3.24Å; R196-R200 WeakPolarHBondContact O-CG 3.44Å; R196-R200 PolarHBondContact O-N 3.18Å; R196-R200 VanDerWaalsContact O-N 3.13Å; I197-R200 PolarHBondContact O-N 2.77Å; W198-R200 VanDerWaalsContact C-N 3.32Å; W198-R200 PolarHBondContact O-N 3.28Å; R200-T203 WeakPolarHBondContact CA-OG1 3.45Å; R200-T203 PolarHBondContact O-N 2.87Å; R200-T203 PolarHBondContact O-OG1 2.63Å; R200-N204 PolarHBondContact O-N 3.28Å; R200-N204 VanDerWaalsContact O-N 3.13Å
201A45.4Very low46.4Very low41 Ų41113.8 Ų113.834%0.33961%0.612SS.*Hα-helixtrans-67.1-41.4173.700000111.1I197 W198 T203 N204 L205I197-A201 WeakPolarHBondContact O-CB 3.37Å; I197-A201 PolarHBondContact O-N 3.41Å; W198-A201 PolarHBondContact O-N 3.47Å; A201-T203 PolarHBondContact O-N 3.05Å; A201-N204 PolarHBondContact O-N 3.25Å; A201-N204 VanDerWaalsContact O-N 3.08Å; A201-L205 PolarHBondContact O-N 3.2Å
202S40.9Very low45.6Very low47 Ų47120.1 Ų120.133%0.32963%0.628SS.*Hα-helixtrans-63.9-20.4172.7-69.30000113.8W198 Y206W198-S202 WeakPolarHBondContact O-CB 3.47Å; W198-S202 PolarHBondContact O-N 3.43Å; W198-S202 PolarHBondContact O-OG 2.96Å; S202-Y206 WeakPolarHBondContact O-CD2 3.01Å; S202-Y206 WeakPolarHBondContact O-CE2 3.42Å
203T41.5Very low43.7Very low94 Ų94124.6 Ų124.658%0.57765%0.646SS**Hα-helixtrans-85-29.6167.7480000113.8V199 R200 A201V199-T203 PolarHBondContact O-N 3.25Å; V199-T203 PolarHBondContact O-OG1 3.46Å; R200-T203 WeakPolarHBondContact CA-OG1 3.45Å; R200-T203 PolarHBondContact O-N 2.87Å; R200-T203 PolarHBondContact O-OG1 2.63Å; A201-T203 PolarHBondContact O-N 3.05Å
204N39.7Very low42.7Very low129 Ų129127.7 Ų127.769%0.6967%0.667SS**Hα-helixtrans-86.2-19.3-179.8-84.4-22.3000114.4R200 A201 Y206 G207R200-N204 PolarHBondContact O-N 3.28Å; R200-N204 VanDerWaalsContact O-N 3.13Å; A201-N204 PolarHBondContact O-N 3.25Å; A201-N204 VanDerWaalsContact O-N 3.08Å; N204-Y206 PolarHBondContact O-N 3.08Å; N204-G207 PolarHBondContact O-N 2.94Å
205L34.8Very low41.8Very low146 Ų146130.6 Ų130.676%0.76468%0.678SS**THydrogen-bonded Turntrans-751.1173.1-76.8166.2000114.2A201A201-L205 PolarHBondContact O-N 3.2Å
206Y34.2Very low40.5Very low203 Ų203131.1 Ų131.180%0.79669%0.69SS**THydrogen-bonded Turntrans-109.523.8167.5-63.4-81.5000112.6S202 N204S202-Y206 WeakPolarHBondContact O-CD2 3.01Å; S202-Y206 WeakPolarHBondContact O-CE2 3.42Å; N204-Y206 PolarHBondContact O-N 3.08Å
207G29.8Very low39.5Very low65 Ų65129.8 Ų129.867%0.6770%0.699SS**  trans-94.2-9.8179.900000116.4N204N204-G207 PolarHBondContact O-N 2.94Å
208L33.7Very low38.6Very low173 Ų173129.6 Ų129.691%0.90671%0.705SS**SBendtrans-113.2110.7-176.3-80.1134.1000111.3
209G30.6Very low37.5Very low64 Ų64130.3 Ų130.366%0.6672%0.72SS**SBendtrans121.330.5161.100000119.2
210F29.1Very low36.7Very low202 Ų202130.6 Ų130.689%0.88673%0.73SS**  trans-134.368.3168.3-69.1-70.2000112.9
211S34.1Very low36.3Very low125 Ų125130 Ų13087%0.87475%0.745SS**PPolyproline II helixtrans-62.7133.3166.2-60.60000110.1
212R38.7Very low36Very low242 Ų242131.4 Ų131.491%0.91376%0.763SS**PPolyproline II helixtrans-74131.6-179.8-61.8-177-176.7-170.21.3110.4
213T29.4Very low35.5Very low140 Ų140137.6 Ų137.686%0.85979%0.792SS**PPolyproline II helixtrans-71.3132.5171.6120000111.4
214V37.7Very low35.3Very low139 Ų139137.3 Ų137.384%0.84280%0.8SS**  trans-133.6143.2156.9174.50000106.1
215E34Very low35Very low178 Ų178135.2 Ų135.283%0.83280%0.8SS**  trans-70.7144.5-177.8-58.3166.8100.300110.3
216S34.8Very low34.8Very low106 Ų106137.7 Ų137.774%0.74181%0.805SS**  167.2161.574.648.90000111
217V43Very low34.5Very low132 Ų132134 Ų13480%0.881%0.808SS**  trans59.9115.3167.6-164.30000118.9
218P39.5Very low34.6Very low108 Ų108134.3 Ų134.370%0.70181%0.811SS**  trans-100.6155.2165.838.4-32.2000113.2
219N36.1Very low34.5Very low167 Ų167133.8 Ų133.889%0.89381%0.809SS**  trans165.1148.5151-87.9-24.8000108.7
220A36.3Very low34.5Very low76 Ų76138.7 Ų138.763%0.62882%0.818SS**  cis-165.8165.6-19.200000108.6
221T38.6Very low34.9Very low154 Ų154135.8 Ų135.895%0.94582%0.817SS**  trans71139.8161.8-49.30000117.9
222G39.7Very low34.9Very low69 Ų69134.3 Ų134.371%0.71181%0.813SS**  trans123.162.8162.600000116.3A224G222-A224 PolarHBondContact O-N 3.41Å
223D29.5Very low34.5Very low177 Ų177131 Ų13195%0.94781%0.811SS**  trans-86.3100.6172.9-171.115.4000111
224A37.3Very low34.7Very low89 Ų89130.5 Ų130.574%0.73681%0.813SS**  trans-170.1154.2175.500000109.3G222G222-A224 PolarHBondContact O-N 3.41Å
225A35Very low34.7Very low85 Ų85127.7 Ų127.770%0.70281%0.812SS**  cis-170.6137.3-20.500000107.1
226F28.7Very low34.7Very low198 Ų198128.1 Ų128.187%0.86881%0.814SS**  trans48.6117.5163.9-72-91.6000121.5
227C29Very low34.8Very low125 Ų125128.6 Ų128.685%0.84582%0.815SS**  30111.1123.6-1590000119
228G31.8Very low34.4Very low72 Ų72125.7 Ų125.774%0.74281%0.812SS**  trans-156.7139.9165.500000111
229D31.7Very low34.3Very low162 Ų162126.3 Ų126.387%0.86682%0.819SS**  trans-79.8154.4-168.6-67.9-75000115
230I30.8Very low34.5Very low166 Ų166122.2 Ų122.285%0.85180%0.803SS**  trans-90111.4169-58.6171000108.8
231V36.6Very low34.6Very low141 Ų141124.9 Ų124.986%0.85581%0.807SS**  trans-176.3166.9148.9132.40000110.6
232A33.9Very low34.3Very low95 Ų95123.1 Ų123.179%0.78580%0.8SS**  trans86.396.1172.100000117
233I30.4Very low34.5Very low172 Ų172125.7 Ų125.788%0.88280%0.801SS**  trans-77.6158.2164.3-63156.6000109.4
234S33.7Very low35.1Very low129 Ų129123.3 Ų123.390%0.90280%0.795SS**  trans100.4126.4164.4-158.90000116.3
235G39.1Very low34.9Very low80 Ų80128.2 Ų128.283%0.82580%0.796SS**  trans156.657.3179.600000116.3
236Q33.1Very low35.1Very low188 Ų188130 Ų13088%0.87979%0.79SS**  trans-94.7174.2164.1-115.9-158.5-19.300109.9
237P37.8Very low35.5Very low115 Ų115126.9 Ų126.975%0.74778%0.778SS**  cis-130.9-173.4-26.138.4-22.1000112
238G33.5Very low36.2Very low71 Ų71130.6 Ų130.673%0.73278%0.78SS**  trans170.3139.7162.500000116.2
239S37.9Very low37Very low122 Ų122133.5 Ų133.585%0.85377%0.772SS**  trans49.6144.8176.2-93.70000119.5
240S40.5Very low37.9Very low81 Ų81132.5 Ų132.557%0.56677%0.772SS**  cis163.6159.2-34.254.30000106
241D38.3Very low38.4Very low131 Ų131131.9 Ų131.970%0.70177%0.769SS**  trans70.3106.2164.3-46.2-55.9000116.5
242C32.7Very low38.7Very low118 Ų118130.4 Ų130.480%0.79777%0.765SS**  76.9135.775.7-69.30000113.1
243V43.8Very low39.1Very low122 Ų122129.2 Ų129.274%0.73976%0.762SS**  cis-157.4155.4-3.2125.40000107.9
244P42.6Very low39.6Very low127 Ų127127.6 Ų127.683%0.82576%0.761SS**  trans-87.3124.8-17432.7-35000116
245Y31.9Very low40.1Very low192 Ų192125 Ų12575%0.75375%0.747SS**  trans-173.8148.5172.6168.2-84.7000107.3
246E39.3Very low40.3Very low124 Ų124129.2 Ų129.258%0.57975%0.751SS**  cis-156162.8-23.7177.8164.4-55.100103.6
247E37.3Very low40.8Very low132 Ų132123.8 Ų123.862%0.61775%0.745SS**  157.614582.8-166.9-168.6168.300109.7
248K44.7Very low40.8Very low202 Ų202124.6 Ų124.688%0.87875%0.752SS**  trans-159.3103.6131.8-155.6161.2-170.5170.90113.2
249K48.1Very low41.1Very low133 Ų133126.3 Ų126.358%0.57875%0.753SS**  trans-77.5157.5167.6-75.6164.6-178.41370111.7
250T49.3Very low41.7Very low141 Ų141125.9 Ų125.987%0.86575%0.747SS**  trans-135128.4151.2-56.40000107.3
251L42.9Very low41.7Very low153 Ų153127.2 Ų127.280%0.80176%0.757SS**  trans-85.8172.2-177.8-62.1164.3000109.8
252S42.7Very low42.1Very low110 Ų110126.1 Ų126.177%0.76976%0.759SS**  cis-163141.523.753.50000113.9
253G42.8Very low42.7Very low70 Ų70129.3 Ų129.372%0.72276%0.762SS**  trans71155.4145.500000120.2
254T40Very low42.5Very low139 Ų139127.9 Ų127.985%0.85376%0.763SS**  cis-160.3143.8-8-53.80000110.5
255A44Very low42.7Very low74 Ų74129.6 Ų129.661%0.61277%0.765SS**  trans60.6120.5157.500000123
256D43.3Very low43.6Very low168 Ų168125.1 Ų125.190%0.89876%0.759SS**  64141.2126.2-49.2-19.3000122.7
257G43Very low43.7Very low74 Ų74131 Ų13176%0.76378%0.776SS**  trans176.1-12.2169.200000123.7
258C39Very low43.9Very low132 Ų132129.2 Ų129.289%0.89278%0.784SS**  trans69.5168.5175.2-147.30000118.2
259S38.9Very low43.9Very low107 Ų107125.5 Ų125.575%0.74878%0.781SS**  trans-139.5-167.3-165.9-32.50000110.6
260P51.6Low43.8Very low113 Ų113125.6 Ų125.673%0.73479%0.792SS**  cis-131.4-150.7-30.537.7-17.7000111.8
261S39.8Very low43.8Very low110 Ų110124 Ų12477%0.76978%0.784SS**  trans83.6141.116183.30000117.2
262S47.6Very low43.6Very low107 Ų107128.1 Ų128.175%0.74879%0.789SS**  cis-143.5163.96.8-82.40000114.9
263E43.6Very low43.5Very low185 Ų185127.3 Ų127.386%0.86479%0.788SS**  trans-17.1158.9148.1-70.2-179.6118.100119.8
264A40.3Very low43.4Very low92 Ų92129 Ų12976%0.7679%0.789SS**  cis-165178-5.700000114
265L46.2Very low43.5Very low164 Ų164127.5 Ų127.586%0.85979%0.785SS**  trans-67.6-168.7176.1-69.1169.7000115
266P51.9Low43.5Very low98 Ų98135.9 Ų135.964%0.63680%0.8SS**  cis-137.6171-42.930.8-12.1000115.2
267R40.7Very low43.7Very low247 Ų247131.5 Ų131.593%0.93279%0.787SS**  166.1162.2120.1-91.1169.2177.2172.40.6114.7
268A41.5Very low43.9Very low94 Ų94135.9 Ų135.978%0.77779%0.793SS**  trans-106.4-177.4179.700000110.8
269P45.8Very low43.9Very low125 Ų125141.4 Ų141.481%0.81280%0.795SS**  cis-145.1-175.743.441.2-18.6000118.6
270V45.4Very low44.1Very low134 Ų134141.1 Ų141.181%0.81280%0.8SS**  trans-75.5-179.4175.9-106.20000114.5
271P48.3Very low43.8Very low107 Ų107142.6 Ų142.670%0.69580%0.802SS**  cis-139.6-169.9-9.331.3-7.7000116.8
272R39.6Very low44Very low241 Ų241142.3 Ų142.391%0.90980%0.8SS**  trans85.9119.2154.9-73.5-179.1168.1167.6-3.2120.3
273A39.9Very low44Very low92 Ų92140.4 Ų140.476%0.7680%0.797SS**  151.2157.511200000115.3
274S41.6Very low44Very low106 Ų106139.3 Ų139.374%0.74180%0.797SS**  trans65.6103.7157.260.70000122.8
275S41.3Very low44Very low108 Ų108143.6 Ų143.676%0.75580%0.801SS**  53.3118.2123.9660000123.2
276R43.6Very low44Very low249 Ų249139.4 Ų139.494%0.9479%0.79SS**  trans169.6150.8134.8-96.2171.6174.7-179.9-1.6107.8
277A47.8Very low43.7Very low76 Ų76140.7 Ų140.763%0.62880%0.799SS**  cis-160.8-166-11.900000109.3
278N48.2Very low43.8Very low166 Ų166140.6 Ų140.689%0.88880%0.798SS**  trans87.8128162.1-53.6-9.1000117.9
279R38Very low43.8Very low248 Ų248141.2 Ų141.294%0.93679%0.794SS**  trans-141.5172.1175-128.3-172.9-171.4127.4-2105.6
280A44.6Very low43.6Very low101 Ų101147.1 Ų147.184%0.83580%0.8SS**  trans70.3151.1173.300000115.9
281D43.7Very low43Very low145 Ų145150.2 Ų150.278%0.77580%0.803SS**  cis-166.5168.7-26.8-163.911.2000109.8
282S44.6Very low42.5Very low104 Ų104156.5 Ų156.573%0.72781%0.813SS**  trans66.9144.7154.970.10000122.1
283G46.7Very low42.4Very low67 Ų67153 Ų15369%0.69181%0.807SS**  trans65.1130.8152.500000118.7
284D43.8Very low42.2Very low162 Ų162154 Ų15487%0.86681%0.805SS**  cis-166.2158.627.7-97.5-19.2000112.8
285E42Very low42.1Very low182 Ų182156 Ų15685%0.8580%0.803SS**  trans48.9150.9146.8-145.553-153.900123.7
286A44.9Very low41.6Very low76 Ų76157 Ų15763%0.62881%0.805SS**  trans-91.1171.2-170.500000114.6
287P46.7Very low41.2Very low125 Ų125153.4 Ų153.481%0.81279%0.791SS**  -146.9156.110037.4-22.7000116.4
288R41.2Very low40.2Very low244 Ų244155.1 Ų155.192%0.92179%0.794SS**  trans-102149.2156.6-68.2-169.8-176.3-1475.2109.9
289P41.7Very low39.5Very low108 Ų108156.2 Ų156.270%0.70179%0.787SS**  -149.4146.1126.430.7-11.5000118.4
290R41.3Very low39.1Very low248 Ų248150.8 Ų150.894%0.93678%0.775SS**  trans81159.9141.8-69.2165.2-174.2-179.41.4121
291K34.1Very low38.6Very low200 Ų200155.6 Ų155.687%0.8778%0.777SS**  trans-120.1153.5-170.1-50.7170.3179.5176.90110.7
292R36.4Very low38Very low239 Ų239153.8 Ų153.890%0.90277%0.771SS**  trans-170.3117.8146.7-100147.1-164.5-128.83.1107.8
293Q38.9Very low37.5Very low168 Ų168154.8 Ų154.879%0.78578%0.778SS**  80.9119.184.9-79.7-75.221.900113
294P35.5Very low36.8Very low112 Ų112161.5 Ų161.573%0.72778%0.783SS**PPolyproline II helixtrans-85.5131.7173.133.6-31.3000111.3
295E39.4Very low36.4Very low147 Ų147164.2 Ų164.269%0.68779%0.787SS**PPolyproline II helixtrans-81.2123.6176.3-77.9-162.4-176.500112.9R297E295-R297 IonicContact OE1-NH2 3.15Å; E295-R297 IonicContact OE2-CZ 3.17Å; E295-R297 IonicContact OE2-NE 2.76Å; E295-R297 PolarHBondContact OE2-NE 3.34Å; E295-R297 IonicContact OE2-NH2 2.67Å; E295-R297 PolarHBondContact OE2-NH2 3.3Å
296T30Very low36Very low130 Ų130165.6 Ų165.680%0.79879%0.785SS**PPolyproline II helixtrans-82.3122.7162.1-610000109.2V298T296-V298 HydrophobicContact CG2-CG2 4.39Å
297R35.2Very low35.5Very low173 Ų173169.7 Ų169.765%0.65380%0.796SS**  trans-124.1113.3167.7-66.7-167.5-177.2-151.50.6111.2E295 Y299E295-R297 IonicContact OE1-NH2 3.15Å; E295-R297 IonicContact OE2-CZ 3.17Å; E295-R297 IonicContact OE2-NE 2.76Å; E295-R297 PolarHBondContact OE2-NE 3.34Å; E295-R297 IonicContact OE2-NH2 2.67Å; E295-R297 PolarHBondContact OE2-NH2 3.3Å; R297-Y299 HydrophobicContact CB-CE2 4.4Å
298V28.3Very low34.8Very low112 Ų112171.1 Ų171.168%0.67979%0.79SS**  trans-89128.6172.7175.30000108.4T296 I300T296-V298 HydrophobicContact CG2-CG2 4.39Å; V298-I300 HydrophobicContact CG1-CG1 4.08Å
299Y33.4Very low34.6Very low190 Ų190167 Ų16775%0.74579%0.786SS**  trans-122.9115.8163.8-82.2-82000110.1R297R297-Y299 HydrophobicContact CB-CE2 4.4Å
300I29.4Very low34.3Very low133 Ų133173.5 Ų173.568%0.68280%0.797SS**  trans-91.2123.1172.1-60.7168.9000106.9V298 V302V298-I300 HydrophobicContact CG1-CG1 4.08Å; I300-V302 HydrophobicContact CG2-CG2 4.11Å
301F33Very low34.1Very low202 Ų202169 Ų16989%0.88679%0.789SS**  trans-130.5118.1158.5-108.1-84.1000110.7
302V31.4Very low34.3Very low107 Ų107164.8 Ų164.865%0.64878%0.783SS**  trans-96.2123.4176.3176.20000108.1I300I300-V302 HydrophobicContact CG2-CG2 4.11Å
303S34.1Very low34.2Very low125 Ų125163.2 Ų163.287%0.87478%0.783SS**  trans-142.1143.5156.6-105.30000110.4
304R32.8Very low34.1Very low208 Ų208166.4 Ų166.479%0.78579%0.788SS**  trans-108.7130.6-164-58.3165.2175.7159.3-3.7110.1
305F33.8Very low34.1Very low220 Ų220167.9 Ų167.997%0.96579%0.794SS**  trans-131.5131.7145.7-94-78.8000110.7
306R35.2Very low34.1Very low210 Ų210166.9 Ų166.979%0.79280%0.798SS**  trans-96.5134.8-176.7-66169.1167.4172.8-6.1109.6F308R306-F308 HydrophobicContact CB-CE2 4.34Å; R306-F308 HydrophobicContact CG-CE2 4.27Å
307N33.3Very low34.3Very low163 Ų163172.1 Ų172.187%0.87280%0.803SS**  -152.7153.7122.2-142.4-33.9000110.8
308F33.5Very low34.3Very low154 Ų154175.7 Ų175.768%0.67582%0.817SS**  trans-113.5133.5-167.6-72.5-101.4000111.9R306R306-F308 HydrophobicContact CB-CE2 4.34Å; R306-F308 HydrophobicContact CG-CE2 4.27Å
309N36.1Very low34.7Very low158 Ų158175.1 Ų175.185%0.84582%0.824SS**  -178.2116.8120.9-98.9-44.6000112.3
310R36.2Very low34.9Very low245 Ų245170.4 Ų170.493%0.92583%0.825SS**  trans-149.2118.9157.1-123-178.8-175.7-167.51109.4
311I35.2Very low35.5Very low153 Ų153169.7 Ų169.779%0.78583%0.831SS**PPolyproline II helixtrans-75.3134.7-177.4-62.4171.7000108.9
312P39.2Very low35.7Very low112 Ų112171 Ų17173%0.72783%0.832SS**PPolyproline II helixtrans-80.6147.1-173.831.8-35.8000113.2
313F35.1Very low36.2Very low206 Ų206169.6 Ų169.690%0.90484%0.839SS**PPolyproline II helixtrans-74.3138.9166.5-76.2-87.1000110.7T315F313-T315 PolarHBondContact O-N 2.72Å
314R36.8Very low36.4Very low235 Ų235172 Ų17289%0.88784%0.836SS**  trans-77.1113.2176.9-74.7-178.6170.6-172.9-3.2111.2V316R314-V316 PolarHBondContact O-N 3.12Å
315T35.3Very low36.7Very low142 Ų142170.9 Ų170.987%0.87184%0.84SS**  trans-74.4104.3160-45.80000108.8F313 R317F313-T315 PolarHBondContact O-N 2.72Å; T315-R317 PolarHBondContact O-N 3.42Å
316V38.4Very low37Very low126 Ų126169.2 Ų169.276%0.76483%0.833SS**  trans-75123.7177178.90000109.4R314R314-V316 PolarHBondContact O-N 3.12Å
317R35.1Very low37.2Very low240 Ų240165.6 Ų165.691%0.90684%0.839SS**  trans-64.5133.6175.2-82.7179.9167.1167.9-5.4110.5T315 A319T315-R317 PolarHBondContact O-N 3.42Å; R317-A319 PolarHBondContact O-N 2.83Å
318R34Very low37.5Very low248 Ų248161.1 Ų161.194%0.93683%0.832SS**  trans-76.999.6172.9-163.4-178.2-157.6169.65109
319A37.1Very low37.8Very low100 Ų100160.3 Ų160.383%0.82684%0.84SS**  trans-80.2114.916800000108.8R317R317-A319 PolarHBondContact O-N 2.83Å
320A38.9Very low37.9Very low92 Ų92158.9 Ų158.976%0.7684%0.837SS**PPolyproline II helixtrans-86.7125.2166.400000108.2
321S40.1Very low37.7Very low117 Ų117151.9 Ų151.982%0.81883%0.825SS**PPolyproline II helixtrans-70.8144.1173.1-171.30000109.9
322Y37.6Very low37.9Very low229 Ų229153.7 Ų153.790%0.89883%0.83SS**PPolyproline II helixtrans-62.1140.3160.8-84.7-110.3000109.1
323G41.9Very low37.6Very low78 Ų78159 Ų15980%0.80484%0.836SS**  trans-157.786.4-178.900000108.2
324E38.8Very low37.5Very low175 Ų175155.7 Ų155.782%0.81884%0.837SS**  trans-87.7114.2-169.7-176.6-168151.200111.5
325Q40.1Very low37.3Very low186 Ų186148.7 Ų148.787%0.86983%0.829SS**  trans-155.2103157.1-120.6167.55400114.9
326K39.9Very low37.2Very low185 Ų185154.2 Ų154.280%0.80483%0.834SS**  trans20.4129.3145.2-64.7179.7178177.40121.5
327S38.7Very low37Very low133 Ų133151.9 Ų151.993%0.9383%0.828SS**  trans79.8138.1135.6-157.10000119.6
328G39.8Very low36.8Very low70 Ų70150.8 Ų150.872%0.72283%0.83SS**  trans139.882.4169.100000114.7
329T38.7Very low36.9Very low137 Ų137142.9 Ų142.984%0.8482%0.818SS**  trans-64.4152157.348.30000108.9
330T39.7Very low36.8Very low128 Ų128143.9 Ų143.979%0.78582%0.819SS**  -166.2151.964.7-54.10000110.9
331S31.6Very low36.7Very low97 Ų97149.4 Ų149.468%0.67883%0.826SS**  trans-79143.3176.2176.20000112.3
332H40.1Very low36.6Very low192 Ų192149.2 Ų149.289%0.88983%0.825SS**  trans-148.9148142.2-115.3-85.8000111.5
333R32.3Very low36.3Very low223 Ų223142.3 Ų142.384%0.84282%0.823SS**  trans-84.6152.7-178-57.5173.6179169.6-1.7111.4
334C32.8Very low36.1Very low137 Ų137144.5 Ų144.593%0.92683%0.826SS**  -171160.8111.3-101.90000111.8
335A32.1Very low36.1Very low88 Ų88142.2 Ų142.273%0.72782%0.824SS**  trans-149.3139.9177.800000110.2
336W33.5Very low36.1Very low257 Ų257140.4 Ų140.497%0.97382%0.821SS**  trans-162.6138.7153.8-80.5-9.6000105.1
337A33.4Very low36.1Very low77 Ų77137.5 Ų137.564%0.63682%0.821SS**  cis107.6113.513.800000113.7
338F32.3Very low36.2Very low217 Ų217136.7 Ų136.795%0.95281%0.814SS**  trans63.1160.6176-59.3-83.1000115.5
339A36.3Very low36.2Very low82 Ų82138.1 Ų138.168%0.67882%0.819SS**  cis-144.7168.311.700000112.7
340S34.2Very low36.3Very low122 Ų122139 Ų13985%0.85382%0.817SS**  trans-83.2142.6163.2-54.30000110.5
341F36.8Very low36.4Very low208 Ų208137.7 Ų137.791%0.91282%0.819SS**  trans-135.8143.2166.5-110-88.2000111.4
342S38Very low37.1Very low112 Ų112138.9 Ų138.978%0.78382%0.822SS**  trans-123.6121.2-173.9550000111.4
343G32.3Very low37.2Very low84 Ų84137 Ų13787%0.86681%0.813SS**  trans78.6118.2158.700000117.2
344S37Very low38Very low124 Ų124134.6 Ų134.687%0.86781%0.814SS**  trans-153.4164.2139-163.20000109.3
345T39.3Very low38.7Very low127 Ų127135.3 Ų135.378%0.77980%0.803SS**  trans-104.7132.4-173.748.60000112.3
346D38.7Very low39.5Very low148 Ų148134.9 Ų134.979%0.79179%0.793SS**  trans-163.5143.3141-128.1-15.6000111.7
347P41.3Very low39.5Very low124 Ų124132 Ų13281%0.80579%0.788SS**  trans-10693.5178.836.2-25.5000112.4
348C40.3Very low39.8Very low117 Ų117134 Ų13479%0.79180%0.798SS**  trans-101.5136.8174.4-78.90000112.8
349A38.9Very low40.3Very low100 Ų100130.9 Ų130.983%0.82680%0.796SS**  trans-80135-171.800000113.4
350I42Very low40.8Very low156 Ų156131.3 Ų131.380%0.879%0.794SS**  trans-100.796.4162.1-60179.6000107.5V352I350-V352 HydrophobicContact CG2-CG2 3.94Å; I350-V352 PolarHBondContact O-N 3.01Å
351A42Very low41.1Very low100 Ų100130.5 Ų130.583%0.82680%0.795SS**  trans-78.1113174.100000110
352V45.8Very low41.2Very low121 Ų121129.5 Ų129.573%0.73379%0.79SS**  trans-113.5101.4169-168.30000109.2I350I350-V352 HydrophobicContact CG2-CG2 3.94Å; I350-V352 PolarHBondContact O-N 3.01Å
353H42.9Very low41.6Very low152 Ų152133 Ų13370%0.70479%0.792SS**  trans-0.9117.5163.7-156.4-105.4000117.8E355H353-E355 VanDerWaalsContact CE1-CG 3.42Å; H353-E355 WeakPolarHBondContact CE1-CG 3.41Å
354M48.2Very low42.3Very low174 Ų174136.1 Ų136.186%0.85779%0.787SS**  trans-101.3122.2161.8-69.4-84.579.100109.3
355E47.9Very low42.6Very low151 Ų151134.7 Ų134.771%0.70678%0.776SS**  trans-116.9120.9174.3-125.6-70.2121.500107.8H353H353-E355 VanDerWaalsContact CE1-CG 3.42Å; H353-E355 WeakPolarHBondContact CE1-CG 3.41Å
356P47.9Very low43.1Very low80 Ų80134.8 Ų134.852%0.51978%0.777SS.*  trans-104.2150.1-170.338.8-34.1000114.2
357F33.4Very low43.2Very low196 Ų196135.8 Ų135.886%0.8678%0.782SS**  trans70.2114.8168.9-48.9-73.3000118.7
358S41.6Very low43.7Very low120 Ų120133.9 Ų133.984%0.83978%0.784SS**  -156.3119.1129.4-89.10000111.3
359T42.1Very low43.8Very low151 Ų151132 Ų13293%0.92679%0.785SS**  trans-86.7106.817246.60000110.2
360S45.9Very low44.3Very low91 Ų91132.1 Ų132.164%0.63678%0.78SS**  trans-125.7129.5172.659.80000111.1
361A40.1Very low44.3Very low104 Ų104135.3 Ų135.386%0.8678%0.782SS**  trans-83.1121.6-177.800000111.1K363A361-K363 PolarHBondContact O-N 3.34Å
362F39.6Very low44.5Very low188 Ų188142.2 Ų142.283%0.82579%0.786SS**  trans-84.8111171.2-87.9-88.6000111.2
363K46.8Very low44.2Very low185 Ų185140.8 Ų140.880%0.80479%0.788SS**  trans-111.5108.1170.9-169.3179.7-174.8-177.70108.2A361 C365A361-K363 PolarHBondContact O-N 3.34Å; K363-C365 PolarHBondContact O-N 3.19Å
364I46.8Very low44.3Very low149 Ų149141.8 Ų141.876%0.76480%0.797SS**  trans-82.6118.6-177.8-60.4175.6000109.1T366I364-T366 HydrophobicContact CG2-CG2 4.49Å
365C42.7Very low44Very low95 Ų95137.2 Ų137.264%0.64279%0.787SS**  trans-116.5135.7168.6-70.20000109K363K363-C365 PolarHBondContact O-N 3.19Å
366T51.2Low43.9Very low129 Ų129141.1 Ų141.179%0.79180%0.795SS**  trans-140103.6171.152.60000108.2I364I364-T366 HydrophobicContact CG2-CG2 4.49Å
367D40.1Very low43.7Very low168 Ų168144.2 Ų144.290%0.89880%0.803SS**  trans-75.4149.1-175.8-69.7-59.8000113.2
368G50.6Low44.3Very low84 Ų84140.5 Ų140.587%0.86679%0.791SS**  trans-142.599.5167.300000109.9
369G44.3Very low44.5Very low78 Ų78141.9 Ų141.980%0.80478%0.784SS**  trans-115.5163.1-17600000114
370S49Very low44.4Very low102 Ų102145.3 Ų145.371%0.71378%0.78SS**  trans-172113.8153.7-162.40000114.8
371R41.8Very low44.3Very low224 Ų224145.3 Ų145.385%0.84579%0.786SS**  trans57.1114.8141.5-57.5173.2-169.1-144.30.8122.5
372R45.1Very low45Very low244 Ų244146.5 Ų146.592%0.92179%0.785SS**  157.7121.3129.5-82.8163-150.7-126.48.4107.8
373A40.1Very low45.1Very low92 Ų92143.2 Ų143.276%0.7679%0.785SS**  70133.367.600000113.7
374L45Very low45.3Very low172 Ų172146.3 Ų146.390%0.90179%0.792SS**  cis-167.61670.2-130.781.9000106.3
375A42.1Very low45.5Very low78 Ų78144.4 Ų144.465%0.64579%0.789SS**  cis-174.6166.9-33.400000111
376R46.1Very low45.8Very low233 Ų233147.8 Ų147.888%0.87980%0.8SS**  trans73.6159.4171.4-58.3175.6-179.2-174.70.4115.9
377H43.5Very low46Very low146 Ų146146.9 Ų146.968%0.67680%0.797SS**  cis-158.11563.1-135.97.7000114
378L45.6Very low46.2Very low117 Ų117145.3 Ų145.361%0.61379%0.793SS**  trans49.7127.1153.4-61.3175.3000121.4
379Q45.9Very low45.7Very low150 Ų150151.8 Ų151.870%0.70179%0.791SS**  69146.174.2-64.9-173.89.700114.7
380R39.7Very low45.4Very low222 Ų222155.5 Ų155.584%0.83879%0.792SS**  cis-164.4146.427.3-149.1169.3-176.4154-2.9114.4
381A43.8Very low45.5Very low92 Ų92153.9 Ų153.976%0.7679%0.791SS**  trans38.8140.4149.600000125.5
382P54.4Low45.5Very low128 Ų128151 Ų15183%0.83179%0.792SS**  trans-121.5164.8165.441.4-30.8000115.7
383S42.9Very low45.7Very low120 Ų120147.8 Ų147.884%0.83979%0.787SS**  trans-163.3122.7169.936.40000119.2
384R50.3Low45.8Very low249 Ų249148.1 Ų148.194%0.9479%0.79SS**  trans68.7155.2149.8-81-171.4169.3-171.9-2.8124.2
385P51.7Low45.9Very low109 Ų109145.3 Ų145.371%0.70878%0.784SS**  trans-130.4177.2-175.144.9-29.7000116.5
386L49.6Very low46Very low166 Ų166146.2 Ų146.287%0.86979%0.792SS**  trans-174.2161.2133.4-122.779.7000112.2
387P54.6Low46Very low111 Ų111139.2 Ų139.272%0.72178%0.784SS**  trans-123.3158.1-174.641.1-29.3000116.8
388T43.6Very low46.1Very low134 Ų134138.2 Ų138.282%0.82279%0.794SS**  trans-153.8127.3166-16.70000116.7
389R39.9Very low46.1Very low221 Ų221137.2 Ų137.283%0.83480%0.802SS**  trans53.8134.4141.6-83.5-179.1176.6-163.1-0.2125.9
390L39.3Very low46.1Very low156 Ų156141.8 Ų141.882%0.81781%0.813SS**  95.6136.9127.9-81.6169000123.2
391G49.7Very low46.3Very low68 Ų68136.2 Ų136.270%0.70181%0.814SS**  trans112.2141.4160.900000115.6
392L43.2Very low46.6Very low162 Ų162142.9 Ų142.985%0.84882%0.82SS**  cis-170169.3-39.4-120.4170.7000108.3
393Q48Very low46.4Very low178 Ų178141.1 Ų141.183%0.83281%0.808SS**  trans71.4123.4-179.9-48-16528.500114.2
394A42.9Very low46.6Very low98 Ų98141.2 Ų141.281%0.8180%0.804SS**  86.813952.600000112.3
395S46.3Very low46.4Very low113 Ų113134.8 Ų134.879%0.7979%0.792SS**  cis-152.2167.817.464.40000113.9
396A45.9Very low46Very low98 Ų98135.2 Ų135.281%0.8179%0.793SS**  trans41.9146.114600000122.8
397A45.3Very low45.5Very low86 Ų86135 Ų13571%0.71179%0.792SS**  cis-170.7162.7-14.700000110.9
398S45.3Very low45.2Very low125 Ų125134.9 Ų134.987%0.87479%0.791SS**  trans65.7145.4159.5-81.10000119.4
399A46Very low45.4Very low95 Ų95139.8 Ų139.879%0.78579%0.794SS**  cis-150.5175.2-2.900000113.7
400R44.7Very low45.7Very low247 Ų247140 Ų14093%0.93280%0.795SS**  trans-50.8164.4174.5-62.3162.2176.1161.1-4.2113.1
401A45.2Very low45.9Very low104 Ų104137.8 Ų137.886%0.8679%0.793SS**  cis-145.5-171.726.400000115
402R49.5Very low45.8Very low233 Ų233138.1 Ų138.188%0.87980%0.796SS**  trans-139.2-166.1-167.3-144.9-166.6165.4-170.3-4.7110.4
403P49.9Very low46.2Very low91 Ų91137.5 Ų137.559%0.59180%0.799SS**  -118.3-154-114.744.3-27.8000114.6
404T48.1Very low46Very low122 Ų122132.5 Ų132.575%0.74880%0.796SS**  trans72.3147.1163.241.40000116.7
405T46.4Very low46.2Very low114 Ų114133.8 Ų133.870%0.69980%0.799SS**  cis-155.1160.78.4-8.20000112.6
406T42.8Very low46Very low118 Ų118133.2 Ų133.272%0.72480%0.801SS**  trans43.2118.4152.452.30000123.3
407L39Very low45.9Very low161 Ų161136.2 Ų136.284%0.84380%0.803SS**  24.3155.3117.6-66.9178.3000121.6
408P48.4Very low45.7Very low108 Ų108140.1 Ų140.170%0.70181%0.806SS**  cis-143.1-177.3-11.437.2-16.2000117.1
409R47.3Very low45.6Very low237 Ų237145.5 Ų145.589%0.89481%0.807SS**  trans91.1126.4139.6-143178.4-166.5170.73.9121.4
410R46.3Very low45.5Very low226 Ų226148.2 Ų148.285%0.85380%0.803SS**  trans88113.3146.7-124.1-168.4179.9174.7-1.6121.8
411S44.5Very low45.8Very low109 Ų109141.5 Ų141.576%0.76279%0.792SS**  trans54.9124.1136.657.70000122.6
412G46.8Very low45.8Very low75 Ų75145.2 Ų145.277%0.77379%0.789SS**  trans176.475166.100000116.8
413T52.4Low45.6Very low149 Ų149140.1 Ų140.191%0.91479%0.789SS**  trans12.8122.8156.550.20000123
414G43.8Very low45.2Very low73 Ų73139 Ų13975%0.75379%0.794SS**  trans91.7150.4144.300000118.1
415S46.6Very low44.7Very low125 Ų125140.3 Ų140.387%0.87480%0.796SS**  cis-162.3166.7-7.9-83.60000111.5
416A41.3Very low44.6Very low101 Ų101141.6 Ų141.684%0.83580%0.803SS**  trans83.1151.7165.500000120.3
417L44.2Very low44.5Very low162 Ų162141.9 Ų141.985%0.84880%0.8SS**  trans65.163.9176.8-58.5-178.7000117.6
418E41.8Very low44.7Very low168 Ų168140 Ų14079%0.78580%0.8SS**  trans36118.2134.4-61.8-174.5121.400120.7
419R43.2Very low44.3Very low237 Ų237140 Ų14089%0.89481%0.81SS**  trans-116.8140.2148.2-67.6179.5171.8-140.3-1.8108.3P421R419-P421 VanDerWaalsContact O-CD 3.28Å; R419-P421 WeakPolarHBondContact O-CD 3.35Å
420H43.3Very low44Very low153 Ų153132.6 Ų132.671%0.70881%0.807SS**  trans-101.5107.7161.8-90.4-63.4000110.9F422H420-F422 AromaticContact CE1-CE2 3.77Å; H420-F422 AromaticContact ND1-CD2 3.95Å; H420-F422 AromaticContact ND1-CE2 3.38Å; H420-F422 WeakPolarHBondContact ND1-CE2 3.43Å
421P51.3Low43.4Very low106 Ų106130.5 Ų130.569%0.68881%0.807SS**  trans-115.196.7161.335.2-23.4000110R419R419-P421 VanDerWaalsContact O-CD 3.28Å; R419-P421 WeakPolarHBondContact O-CD 3.35Å
422F45.9Very low43Very low181 Ų181132.6 Ų132.679%0.79481%0.809SS**  trans-92.2103169.1-79-63.7000110.6H420H420-F422 AromaticContact CE1-CE2 3.77Å; H420-F422 AromaticContact ND1-CD2 3.95Å; H420-F422 AromaticContact ND1-CE2 3.38Å; H420-F422 WeakPolarHBondContact ND1-CE2 3.43Å
423S43.5Very low42.7Very low127 Ų127137.2 Ų137.289%0.88882%0.815SS**  trans-126.798.3162.7-60.90000106
424G41.4Very low42.2Very low67 Ų67138.7 Ų138.769%0.69181%0.811SS**  trans-157.374.8-160.900000113
425L37.4Very low42.2Very low150 Ų150141.1 Ų141.179%0.78581%0.811SS**  trans4.4113.8153.1-168.2139.3000117.6
426V45.2Very low42.5Very low141 Ų141140.9 Ų140.986%0.85581%0.806SS**  trans-139117.3152.6175.80000107.6
427D40.6Very low42.7Very low123 Ų123148.1 Ų148.166%0.65881%0.812SS**  trans-90.2160.8173-70.8-67.8000111.8
428S44.4Very low43.4Very low121 Ų121151.5 Ų151.585%0.84681%0.814SS**  trans63.382156.9-59.30000119.6
429A39.6Very low44.2Very low109 Ų109149.1 Ų149.190%0.90181%0.805SS**  trans-171.3115.7134.900000111.1
430G39.7Very low45.1Very low81 Ų81141.4 Ų141.484%0.83579%0.786SS**  trans161.536.9177.700000117.9
431E35.2Very low46.5Very low183 Ų183140 Ų14086%0.85579%0.788SS**  trans-71.7163.4166.8-68.7-158.8121.300112
432L36.2Very low47.3Very low153 Ų153138.5 Ų138.580%0.80178%0.78SS**  trans61.8104.1-176-70.779.4000115.7
433L40.2Very low48.5Very low172 Ų172134.6 Ų134.690%0.90177%0.766SS**  -162.7144.7103.8-100.4168.7000110.9
434H41.3Very low49.6Very low179 Ų179131.1 Ų131.183%0.82975%0.745SS**PPolyproline II helixtrans-77134.2-167.1-69.9-81.8000114.2
435T44.5Very low51.1Low125 Ų125132.4 Ų132.477%0.76774%0.739SS**PPolyproline II helixtrans-70.6129.6156.648.90000109.7
436P53Low52.8Low119 Ų119129.2 Ų129.277%0.77373%0.726SS**PPolyproline II helixtrans-70135.3176.227.6-33.3000110.5R438P436-R438 PolarHBondContact O-N 3.21Å
437W45.9Very low54.2Low253 Ų253127.6 Ų127.696%0.95871%0.712SS**  trans-58.3110.6-178.2-78.971.4000111.5I439W437-I439 PolarHBondContact O-N 2.91Å
438R56.9Low55.8Low234 Ų234127.1 Ų127.188%0.88371%0.709SS**PPolyproline II helixtrans-73116.5163.8-74.6-170.5175.2-131.80.6108.6P436P436-R438 PolarHBondContact O-N 3.21Å
439I58.6Low56.9Low118 Ų118124.7 Ų124.761%0.60569%0.692SS**PPolyproline II helixtrans-56.2123.1165.6-61.4172.5000107.2W437 T441 M443W437-I439 PolarHBondContact O-N 2.91Å; I439-T441 PolarHBondContact O-N 3.16Å; I439-M443 HydrophobicContact CG2-CB 3.73Å; I439-M443 HydrophobicContact CG2-CE 4.1Å; I439-M443 HydrophobicContact CG2-SD 4.45Å
440P63.1Low58.6Low75 Ų75123.7 Ų123.749%0.48767%0.67SS.*PPolyproline II helixtrans-63.7139.3178.126.1-32.9000109.3S442 M443P440-S442 PolarHBondContact O-N 2.9Å; P440-M443 HydrophobicContact CG-CB 4.36Å; P440-M443 WeakPolarHBondContact O-CB 3.48Å; P440-M443 PolarHBondContact O-N 2.8Å
441T72.2Confident60Low123 Ų123121.2 Ų121.276%0.75564%0.64SS**Hα-helixtrans-56.3-30.9-172.742.50000113.2I439 M443 A444 T445I439-T441 PolarHBondContact O-N 3.16Å; T441-M443 VanDerWaalsContact C-N 3.32Å; T441-M443 PolarHBondContact O-N 3.38Å; T441-A444 PolarHBondContact O-N 3.06Å; T441-T445 PolarHBondContact O-N 3.35Å; T441-T445 VanDerWaalsContact O-N 3.1Å; T441-T445 PolarHBondContact O-OG1 2.92Å
442S67.6Low61.7Low75 Ų75116.2 Ų116.252%0.52462%0.623SS.*Hα-helixtrans-54.1-41.3171.651.40000113.7P440 T445 V446P440-S442 PolarHBondContact O-N 2.9Å; S442-T445 PolarHBondContact O-N 3.38Å; S442-V446 WeakPolarHBondContact O-CG2 3.4Å; S442-V446 PolarHBondContact O-N 3.19Å
443M72.4Confident62.9Low98 Ų98113.8 Ų113.848%0.48361%0.61SS.*Hα-helixtrans-66.2-39.6178.7-118.2-179.47600111.7I439 P440 T441 V446 L447I439-M443 HydrophobicContact CG2-CB 3.73Å; I439-M443 HydrophobicContact CG2-CE 4.1Å; I439-M443 HydrophobicContact CG2-SD 4.45Å; P440-M443 HydrophobicContact CG-CB 4.36Å; P440-M443 WeakPolarHBondContact O-CB 3.48Å; P440-M443 PolarHBondContact O-N 2.8Å; T441-M443 VanDerWaalsContact C-N 3.32Å; T441-M443 PolarHBondContact O-N 3.38Å; M443-V446 PolarHBondContact O-N 2.83Å; M443-L447 WeakPolarHBondContact O-CG 3.45Å; M443-L447 PolarHBondContact O-N 3.13Å
444A67Low63.7Low55 Ų55109 Ų10946%0.45559%0.589SS.*Hα-helixtrans-64.3-40.4175.600000111.5T441 L447 L448T441-A444 PolarHBondContact O-N 3.06Å; A444-L447 PolarHBondContact O-N 3.17Å; A444-L448 WeakPolarHBondContact O-CB 3.37Å; A444-L448 PolarHBondContact O-N 3.28Å
445T71.7Confident64.1Low93 Ų93103.7 Ų103.757%0.57156%0.563SS**Hα-helixtrans-63.7-40.9174.4-49.70000112.2T441 S442 L448 S449T441-T445 PolarHBondContact O-N 3.35Å; T441-T445 VanDerWaalsContact O-N 3.1Å; T441-T445 PolarHBondContact O-OG1 2.92Å; S442-T445 PolarHBondContact O-N 3.38Å; T445-L448 PolarHBondContact O-N 3.13Å; T445-S449 WeakPolarHBondContact O-CB 3.28Å; T445-S449 PolarHBondContact O-N 3.24Å
446V74Confident64.3Low84 Ų84104.1 Ų104.151%0.50956%0.556SS.*Hα-helixtrans-63.2-47.4176169.40000111.2S442 M443 L448 S449 I450S442-V446 WeakPolarHBondContact O-CG2 3.4Å; S442-V446 PolarHBondContact O-N 3.19Å; M443-V446 PolarHBondContact O-N 2.83Å; V446-L448 VanDerWaalsContact C-N 3.34Å; V446-L448 PolarHBondContact O-N 2.78Å; V446-S449 WeakPolarHBondContact O-CB 3.38Å; V446-S449 PolarHBondContact O-N 2.96Å; V446-I450 HydrophobicContact CG1-CD1 3.78Å; V446-I450 HydrophobicContact CG1-CG1 4.46Å; V446-I450 WeakPolarHBondContact O-CG1 3.26Å; V446-I450 PolarHBondContact O-N 2.89Å
447L73.2Confident64.4Low107 Ų107101.5 Ų101.556%0.5654%0.538SS*.Hα-helixtrans-62.2-40.3177.2-69.4172.4000112.2M443 A444 I450 S451M443-L447 WeakPolarHBondContact O-CG 3.45Å; M443-L447 PolarHBondContact O-N 3.13Å; A444-L447 PolarHBondContact O-N 3.17Å; L447-I450 PolarHBondContact O-N 3.34Å; L447-S451 WeakPolarHBondContact O-CB 3.46Å; L447-S451 PolarHBondContact O-N 2.83Å
448L74.8Confident64.4Low113 Ų11394 Ų9459%0.59252%0.516SS*.Hα-helixtrans-63.4-44.4175.4-174.862.5000111.4A444 T445 V446 S451 T452A444-L448 WeakPolarHBondContact O-CB 3.37Å; A444-L448 PolarHBondContact O-N 3.28Å; T445-L448 PolarHBondContact O-N 3.13Å; V446-L448 VanDerWaalsContact C-N 3.34Å; V446-L448 PolarHBondContact O-N 2.78Å; L448-S451 PolarHBondContact O-N 3.28Å; L448-S451 PolarHBondContact O-OG 3.15Å; L448-T452 HydrophobicContact CD1-CG2 4.49Å; L448-T452 PolarHBondContact O-N 2.95Å; L448-T452 PolarHBondContact O-OG1 2.84Å; L448-T452 VanDerWaalsContact O-OG1 3.1Å
449S66.9Low64.1Low69 Ų6988.6 Ų88.648%0.48350%0.504SS..Hα-helixtrans-61.2-45.7176.2-176.60000112.9T445 V446 S451 T452 N453T445-S449 WeakPolarHBondContact O-CB 3.28Å; T445-S449 PolarHBondContact O-N 3.24Å; V446-S449 WeakPolarHBondContact O-CB 3.38Å; V446-S449 PolarHBondContact O-N 2.96Å; S449-S451 VanDerWaalsContact C-N 3.28Å; S449-S451 PolarHBondContact O-N 2.67Å; S449-T452 PolarHBondContact O-N 3.19Å; S449-T452 PolarHBondContact O-OG1 3.18Å; S449-N453 VanDerWaalsContact O-CB 3.29Å; S449-N453 WeakPolarHBondContact O-CB 3.48Å; S449-N453 PolarHBondContact O-N 3.05Å
450I75.9Confident63.8Low88 Ų8887.5 Ų87.545%0.45150%0.503SS..Hα-helixtrans-59.5-42.6174.6-68.4166.2000110.1V446 L447 T454V446-I450 HydrophobicContact CG1-CD1 3.78Å; V446-I450 HydrophobicContact CG1-CG1 4.46Å; V446-I450 WeakPolarHBondContact O-CG1 3.26Å; V446-I450 PolarHBondContact O-N 2.89Å; L447-I450 PolarHBondContact O-N 3.34Å; I450-T454 VanDerWaalsContact O-CB 3.26Å; I450-T454 WeakPolarHBondContact O-CB 3.2Å; I450-T454 PolarHBondContact O-N 3.38Å; I450-T454 PolarHBondContact O-OG1 3.06Å
451S70Confident63.2Low30 Ų3092 Ų9221%0.2152%0.515CS..Hα-helixtrans-63.8-48.2179.382.80000112.3L447 L448 S449 T454 F455L447-S451 WeakPolarHBondContact O-CB 3.46Å; L447-S451 PolarHBondContact O-N 2.83Å; L448-S451 PolarHBondContact O-N 3.28Å; L448-S451 PolarHBondContact O-OG 3.15Å; S449-S451 VanDerWaalsContact C-N 3.28Å; S449-S451 PolarHBondContact O-N 2.67Å; S451-T454 PolarHBondContact O-N 3.14Å; S451-F455 WeakPolarHBondContact O-CD2 3.43Å; S451-F455 PolarHBondContact O-N 3.15Å
452T70.5Confident62Low78 Ų7890.8 Ų90.848%0.47951%0.507SS..Hα-helixtrans-70.5-38.6-176.250.40000112.2L448 S449 F455 H456L448-T452 HydrophobicContact CD1-CG2 4.49Å; L448-T452 PolarHBondContact O-N 2.95Å; L448-T452 PolarHBondContact O-OG1 2.84Å; L448-T452 VanDerWaalsContact O-OG1 3.1Å; S449-T452 PolarHBondContact O-N 3.19Å; S449-T452 PolarHBondContact O-OG1 3.18Å; T452-F455 PolarHBondContact O-N 2.95Å; T452-H456 PolarHBondContact O-N 3.35Å
453N60.1Low60.6Low101 Ų10190.6 Ų90.654%0.5451%0.506SS..Hα-helixtrans-63-44.2172.3-166.3-18.6000110.9S449 F455 H456 V457S449-N453 VanDerWaalsContact O-CB 3.29Å; S449-N453 WeakPolarHBondContact O-CB 3.48Å; S449-N453 PolarHBondContact O-N 3.05Å; N453-F455 VanDerWaalsContact C-N 3.35Å; N453-F455 PolarHBondContact O-N 3.13Å; N453-H456 WeakPolarHBondContact O-CB 3.39Å; N453-H456 PolarHBondContact O-N 3.43Å; N453-V457 PolarHBondContact O-N 2.92Å
454T58.7Low58.7Low73 Ų7392.3 Ų92.345%0.44852%0.524SS..Hα-helixtrans-60.9-40.3175.7-57.70000112.2I450 S451 H456 V457 L458I450-T454 VanDerWaalsContact O-CB 3.26Å; I450-T454 WeakPolarHBondContact O-CB 3.2Å; I450-T454 PolarHBondContact O-N 3.38Å; I450-T454 PolarHBondContact O-OG1 3.06Å; S451-T454 PolarHBondContact O-N 3.14Å; T454-H456 VanDerWaalsContact C-N 3.34Å; T454-H456 PolarHBondContact O-N 3.13Å; T454-V457 PolarHBondContact O-N 3.24Å; T454-L458 HydrophobicContact CG2-CD1 4.08Å; T454-L458 PolarHBondContact O-N 3.46Å
455F48.5Very low57.3Low66 Ų6696.8 Ų96.829%0.28954%0.54SS..Hα-helixtrans-62-40.3172.5-72.8-59000112.2R59 S451 T452 N453 L458 L459R59-F455 VanDerWaalsContact NH1-CZ 3.29Å; S451-F455 WeakPolarHBondContact O-CD2 3.43Å; S451-F455 PolarHBondContact O-N 3.15Å; T452-F455 PolarHBondContact O-N 2.95Å; N453-F455 VanDerWaalsContact C-N 3.35Å; N453-F455 PolarHBondContact O-N 3.13Å; F455-L458 PolarHBondContact O-N 3.29Å; F455-L459 WeakPolarHBondContact O-CB 3.34Å; F455-L459 WeakPolarHBondContact O-CG 3.27Å; F455-L459 PolarHBondContact O-N 3.09Å
456H50.3Low55.6Low134 Ų13496.9 Ų96.962%0.6255%0.55SS*.Hα-helixtrans-65.4-39.9178.3-146.9-77.9000112.5T452 N453 T454 T460T452-H456 PolarHBondContact O-N 3.35Å; N453-H456 WeakPolarHBondContact O-CB 3.39Å; N453-H456 PolarHBondContact O-N 3.43Å; T454-H456 VanDerWaalsContact C-N 3.34Å; T454-H456 PolarHBondContact O-N 3.13Å; H456-T460 WeakPolarHBondContact O-CB 3.25Å; H456-T460 WeakPolarHBondContact O-CG2 3.37Å; H456-T460 PolarHBondContact O-N 3.26Å; H456-T460 VanDerWaalsContact O-N 3.16Å; H456-T460 PolarHBondContact O-OG1 3.42Å
457V53.7Low53.8Low64 Ų6499.8 Ų99.839%0.38857%0.568SS.*Hα-helixtrans-70.2-34.6176.2176.30000112.3N453 T454 T460 K461N453-V457 PolarHBondContact O-N 2.92Å; T454-V457 PolarHBondContact O-N 3.24Å; V457-T460 PolarHBondContact O-OG1 3.38Å; V457-K461 HydrophobicContact CG1-CD 4.15Å; V457-K461 WeakPolarHBondContact O-CB 3.22Å; V457-K461 WeakPolarHBondContact O-CG 3.38Å; V457-K461 PolarHBondContact O-N 3.49Å
458L46.9Very low52Low95 Ų95105.5 Ų105.550%0.49758%0.582SS.*Hα-helixtrans-71.8-51.6175.6-84.6161.8000111.6T454 F455 T460 K461 T462T454-L458 HydrophobicContact CG2-CD1 4.08Å; T454-L458 PolarHBondContact O-N 3.46Å; F455-L458 PolarHBondContact O-N 3.29Å; L458-T460 VanDerWaalsContact C-N 3.26Å; L458-T460 PolarHBondContact O-N 2.85Å; L458-K461 PolarHBondContact O-N 3.39Å; L458-T462 PolarHBondContact O-N 2.89Å; L458-T462 VanDerWaalsContact O-N 3.09Å; L458-T462 PolarHBondContact O-OG1 2.89Å
459L49.6Very low50Low121 Ų121112 Ų11263%0.63460%0.598SS**Hα-helixtrans-58.6-36-179.7-76.2164.8000112.7F455F455-L459 WeakPolarHBondContact O-CB 3.34Å; F455-L459 WeakPolarHBondContact O-CG 3.27Å; F455-L459 PolarHBondContact O-N 3.09Å
460T52Low48.6Very low95 Ų95116 Ų11658%0.58361%0.613SS**Hα-helixtrans-76.5-23.4176.651.20000114.1H456 V457 L458H456-T460 WeakPolarHBondContact O-CB 3.25Å; H456-T460 WeakPolarHBondContact O-CG2 3.37Å; H456-T460 PolarHBondContact O-N 3.26Å; H456-T460 VanDerWaalsContact O-N 3.16Å; H456-T460 PolarHBondContact O-OG1 3.42Å; V457-T460 PolarHBondContact O-OG1 3.38Å; L458-T460 VanDerWaalsContact C-N 3.26Å; L458-T460 PolarHBondContact O-N 2.85Å
461K50.8Low46.6Very low170 Ų170117.5 Ų117.574%0.73963%0.628SS**Hα-helixtrans-93.9-21-179-75-177.2175.7179.40115.1V457 L458V457-K461 HydrophobicContact CG1-CD 4.15Å; V457-K461 WeakPolarHBondContact O-CB 3.22Å; V457-K461 WeakPolarHBondContact O-CG 3.38Å; V457-K461 PolarHBondContact O-N 3.49Å; L458-K461 PolarHBondContact O-N 3.39Å
462T48.2Very low44.9Very low98 Ų98121.3 Ų121.360%0.60166%0.662SS**SBendtrans-101.71.6-173.562.70000115.9L458L458-T462 PolarHBondContact O-N 2.89Å; L458-T462 VanDerWaalsContact O-N 3.09Å; L458-T462 PolarHBondContact O-OG1 2.89Å
463S36.8Very low43Very low71 Ų71120.8 Ų120.850%0.49767%0.672SS.*  trans-138.181.3-168.4-65.10000114.8L465S463-L465 PolarHBondContact O-N 3.09Å
464P32.7Very low42Very low133 Ų133124.1 Ų124.186%0.86468%0.684SS**  trans-79.663.2167.435.3-35.1000110.9
465L38.3Very low40.9Very low150 Ų150127 Ų12779%0.78570%0.696SS**  trans-114.9127.4172.3-72.9179.4000109.5S463 V467S463-L465 PolarHBondContact O-N 3.09Å; L465-V467 PolarHBondContact O-N 2.96Å
466A36.3Very low40.3Very low94 Ų94132.9 Ų132.978%0.77772%0.722SS**  trans-62.9122.3-162.800000113.3R468A466-R468 PolarHBondContact O-N 3.22Å
467V34.9Very low39.6Very low146 Ų146131.7 Ų131.789%0.88573%0.729SS**  trans-73.774.7168.3-1740000109.3L465L465-V467 PolarHBondContact O-N 2.96Å
468R35.4Very low39Very low227 Ų227140.2 Ų140.286%0.85775%0.754SS**  trans-87.2125.5162.9-97.4-171.9167.9-167.7-4108.9A466 I470A466-R468 PolarHBondContact O-N 3.22Å; R468-I470 PolarHBondContact O-N 2.98Å
469R33.2Very low38.7Very low248 Ų248144.4 Ų144.494%0.93677%0.771SS**  trans-58.4132.6174.5-61.5175.5179.9170.7-1.9109.8
470I38Very low38.1Very low153 Ų153146 Ų14679%0.78578%0.779SS**  trans-126.5131.9164.1-62.1-178.7000105.9R468R468-I470 PolarHBondContact O-N 2.98Å
471P33.3Very low37.4Very low120 Ų120144.1 Ų144.178%0.77978%0.778SS**  trans-72.7165.7-174.630.5-36000112.6
472A34.9Very low36.6Very low111 Ų111143.8 Ų143.892%0.91778%0.784SS**SBendtrans-69.7142179.800000112.4
473G31.5Very low35.9Very low67 Ų67147 Ų14769%0.69180%0.796SS**  trans125.773.116900000115.3
474H38.9Very low36Very low171 Ų171148.9 Ų148.979%0.79281%0.805SS**SBendtrans-171.6142.1136.1-106.1-68000112.6F476H474-F476 PolarHBondContact O-N 2.85Å
475D34.6Very low36.5Very low133 Ų133150 Ų15071%0.71180%0.799SS**  trans-3.384.5167.3-55.8-77.3000119.6S477D475-S477 PolarHBondContact O-N 3.07Å
476F35.3Very low36.7Very low189 Ų189147 Ų14783%0.82979%0.789SS**THydrogen-bonded Turntrans-75.628.5179.6-132.8-89.6000115.2H474H474-F476 PolarHBondContact O-N 2.85Å
477S36.8Very low37Very low110 Ų110151.5 Ų151.577%0.76979%0.792SS**THydrogen-bonded Turntrans-12110.3-163.3-154.60000115.9D475D475-S477 PolarHBondContact O-N 3.07Å
478R40.7Very low37.1Very low243 Ų243152.1 Ų152.192%0.91778%0.783SS**SBendtrans-1325.5-176.9-82.3-168.7173.2-166.5-1.1118
479Q40.2Very low37.6Very low183 Ų183146 Ų14686%0.85576%0.764SS**SBendtrans-116.2-10.2-179.8-73-171-8.800116.2G481Q479-G481 PolarHBondContact O-N 2.93Å
480I38.2Very low38.1Very low154 Ų154139.7 Ų139.779%0.7975%0.749SS**THydrogen-bonded Turntrans-85.652.2-179.4-41.9-177.8000111
481G35.6Very low38.4Very low55 Ų55142.2 Ų142.257%0.56775%0.748SS**THydrogen-bonded Turntrans-136.3-9.8-174.700000116.4Q479Q479-G481 PolarHBondContact O-N 2.93Å
482L35.7Very low38.7Very low163 Ų163142.1 Ų142.185%0.85374%0.739SS**  trans-130.640-171.1-74.1172.4000114
483L32.3Very low39.2Very low166 Ų166145.8 Ų145.887%0.86973%0.729SS**  trans-114.838.3167.5-154.870.9000112.1H485L483-H485 PolarHBondContact O-N 3.3Å
484T40.2Very low40Very low110 Ų110148 Ų14868%0.67573%0.729SS**  trans-77.2104.9-17833.60000112.5S486T484-S486 VanDerWaalsContact C-N 3.3Å; T484-S486 PolarHBondContact O-N 3.02Å
485H42.3Very low39.9Very low158 Ų158146.4 Ų146.473%0.73173%0.726SS**SBendtrans58.6-50.6155.2-124.9-100.3000120.1L483 K487L483-H485 PolarHBondContact O-N 3.3Å; H485-K487 PolarHBondContact O-N 3.1Å
486S41.5Very low40.1Very low85 Ų85151 Ų15159%0.59473%0.733SS**Hα-helixtrans-70.5-28.3-160.8-1780000115.6T484T484-S486 VanDerWaalsContact C-N 3.3Å; T484-S486 PolarHBondContact O-N 3.02Å
487K43.4Very low40.8Very low189 Ų189147.8 Ų147.882%0.82273%0.731SS**Hα-helixtrans-84.8-4.8-175.4-85.4-178.3176.4172.30115.6H485H485-K487 PolarHBondContact O-N 3.1Å
488F37.5Very low40.7Very low160 Ų160150.6 Ų150.670%0.70273%0.732SS**Hα-helixtrans-94-44.5-178.1-160.5-101.9000113.2N490 R491 M492F488-N490 VanDerWaalsContact C-N 3.31Å; F488-N490 PolarHBondContact O-N 2.95Å; F488-R491 PolarHBondContact O-N 2.99Å; F488-M492 HydrophobicContact CE1-CG 4.32Å
489E46Very low40.6Very low99 Ų99149.7 Ų149.746%0.46373%0.73SS.*Hα-helixtrans-56.7-42.2-179.5-72.7-167.478.200113.3R491 M492 R493E489-R491 PolarHBondContact O-N 3.41Å; E489-R491 VanDerWaalsContact O-N 3.08Å; E489-M492 PolarHBondContact O-N 3.39Å; E489-R493 PolarHBondContact O-N 3.41Å; E489-R493 IonicContact OE1-NH2 3.22Å; E489-R493 PolarHBondContact OE1-NH2 3.42Å
490N43.1Very low40.3Very low115 Ų115153 Ų15362%0.61575%0.753SS**Hα-helixtrans-67.8-4.9179.8-80.6-39.9000114.5F488F488-N490 VanDerWaalsContact C-N 3.31Å; F488-N490 PolarHBondContact O-N 2.95Å
491R43.6Very low40.5Very low205 Ų205153 Ų15377%0.77475%0.751SS**Hα-helixtrans-99.8-14.6169.3-83.2-171.4168.8-164-2.6114.5F488 E489 T494F488-R491 PolarHBondContact O-N 2.99Å; E489-R491 PolarHBondContact O-N 3.41Å; E489-R491 VanDerWaalsContact O-N 3.08Å; R491-T494 PolarHBondContact O-OG1 3.01Å
492M41.3Very low40.7Very low118 Ų118158.1 Ų158.158%0.58176%0.76SS**Hα-helixtrans-86.7-29.2176.7-70.4-71.3-77.900112.3F488 E489 T494F488-M492 HydrophobicContact CE1-CG 4.32Å; E489-M492 PolarHBondContact O-N 3.39Å; M492-T494 PolarHBondContact O-N 3.36Å
493R45.6Very low41Very low189 Ų189157.8 Ų157.871%0.71376%0.755SS**THydrogen-bonded Turntrans-71.4-4.4-177.4-62.9-174.6-172.7-1684.5115.3E489E489-R493 PolarHBondContact O-N 3.41Å; E489-R493 IonicContact OE1-NH2 3.22Å; E489-R493 PolarHBondContact OE1-NH2 3.42Å
494T46.2Very low41.5Very low113 Ų113157.4 Ų157.469%0.69375%0.748SS**THydrogen-bonded Turntrans-100.92.2-178.5380000114.7R491 M492 R496R491-T494 PolarHBondContact O-OG1 3.01Å; M492-T494 PolarHBondContact O-N 3.36Å; T494-R496 PolarHBondContact O-N 3.07Å
495L37.2Very low41.6Very low137 Ų137160.3 Ų160.372%0.71775%0.753SS**  trans-93.974.2175.1-64.7176.3000111.5
496R40.3Very low41.5Very low231 Ų231160.5 Ų160.587%0.87275%0.754SS**PPolyproline II helixtrans-70.5129.9163.2-81.8-166.2-179.2-165.51.9109.6T494 Q498T494-R496 PolarHBondContact O-N 3.07Å; R496-Q498 PolarHBondContact O-N 3.37Å
497P50Low41.5Very low120 Ų120165.9 Ų165.978%0.77977%0.766SS**PPolyproline II helixtrans-63.4131.9156-15.230.4000109.4
498Q34.5Very low41.4Very low170 Ų170164.1 Ų164.179%0.79476%0.762SS**PPolyproline II helixtrans-86.3166.7144.9-67.5178-20.400107.2R496R496-Q498 PolarHBondContact O-N 3.37Å
499Y38.3Very low41.7Very low224 Ų224164.4 Ų164.488%0.87877%0.767SS**  trans73.470.5-171.3-51.8-81.1000116
500L34.4Very low41.3Very low252 Ų252170.4 Ų170.4100%1.31979%0.794SS**  -165.20114.1-103.3160.9000110.2

Retrieved 500 of 500 residues in 161.3 ms (Link to these results)