A0A087XN64_POEFO Loading...

Apolipoprotein A-Ib

Participates in the reverse transport of cholesterol from tissues to the liver for excretion by promoting cholesterol efflux from tissues and by acting as a cofactor for the lecithin cholesterol acyltransferase (LCAT).

AlphaFold DB , UniProt , Accession A0A087XN64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 264 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
1I38.3Very low38.3Very low142 Ų142104.9 Ų104.973%0.72858%0.581SS**  0-54.30-62.9172.4000112.2K3 F4 L125I1-K3 VanDerWaalsContact C-N 3.26Å; I1-K3 PolarHBondContact O-N 2.73Å; I1-K3 VanDerWaalsContact O-N 3.15Å; I1-F4 PolarHBondContact O-N 3.1Å; I1-L125 HydrophobicContact CD1-CD1 3.66Å; I1-L125 HydrophobicContact CG2-CD2 4.22Å
2M30.1Very low38.5Very low170 Ų170105.1 Ų105.184%0.83758%0.579SS**Hα-helixtrans-56.6-30.6178.3-72-108.1-84.700115.5A6M2-A6 PolarHBondContact O-N 2.74Å
3K32Very low38.6Very low180 Ų180105.8 Ų105.878%0.78358%0.581SS**Hα-helixtrans-77.7-27.8-178.5-60.8-178.9-179.9179.70113.8I1 L7I1-K3 VanDerWaalsContact C-N 3.26Å; I1-K3 PolarHBondContact O-N 2.73Å; I1-K3 VanDerWaalsContact O-N 3.15Å; K3-L7 WeakPolarHBondContact O-CB 3.41Å; K3-L7 PolarHBondContact O-N 3.23Å; K3-L7 VanDerWaalsContact O-N 3.17Å
4F37.5Very low38.8Very low123 Ų123103.6 Ų103.654%0.53958%0.584SS.*Hα-helixtrans-72.6-38.4177.5-92.8-89.9000112I1 L7 A8 L55I1-F4 PolarHBondContact O-N 3.1Å; F4-L7 PolarHBondContact O-N 3.38Å; F4-A8 PolarHBondContact O-N 3.31Å; F4-L55 HydrophobicContact CE2-CD1 4.09Å; F4-L55 HydrophobicContact CE2-CD2 3.99Å; F4-L55 HydrophobicContact CZ-CD1 4.04Å
5V37.8Very low39.1Very low91 Ų91104.4 Ų104.455%0.55259%0.592SS**Hα-helixtrans-66.9-40.1176.6-178.80000110.7L7 L9V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 PolarHBondContact O-N 2.59Å; V5-L9 WeakPolarHBondContact O-CB 3.3Å; V5-L9 PolarHBondContact O-N 3.27Å
6A38.5Very low38.7Very low61 Ų61101.5 Ų101.550%0.50459%0.592SS.*Hα-helixtrans-63.8-35.917500000112.6M2 A10M2-A6 PolarHBondContact O-N 2.74Å; A6-A10 VanDerWaalsContact O-CB 3.31Å; A6-A10 WeakPolarHBondContact O-CB 3.17Å; A6-A10 PolarHBondContact O-N 2.88Å
7L41.7Very low38.5Very low84 Ų84100.8 Ų100.844%0.4459%0.594SS.*Hα-helixtrans-73.9-40.7-179.6-150.4149.3000111.5K3 F4 V5 A10 V11 A51K3-L7 WeakPolarHBondContact O-CB 3.41Å; K3-L7 PolarHBondContact O-N 3.23Å; K3-L7 VanDerWaalsContact O-N 3.17Å; F4-L7 PolarHBondContact O-N 3.38Å; V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 PolarHBondContact O-N 2.59Å; L7-A10 PolarHBondContact O-N 2.88Å; L7-V11 HydrophobicContact CD2-CG2 4.46Å; L7-V11 WeakPolarHBondContact O-CG2 3.29Å; L7-V11 PolarHBondContact O-N 3.46Å; L7-V11 VanDerWaalsContact O-N 3.11Å; L7-A51 HydrophobicContact CD1-CB 4.11Å
8A40.8Very low38.6Very low57 Ų57102.4 Ų102.447%0.47160%0.595SS.*Hα-helixtrans-63.4-40.8171.500000112F4 L12F4-A8 PolarHBondContact O-N 3.31Å; A8-L12 WeakPolarHBondContact O-CB 3.46Å; A8-L12 PolarHBondContact O-N 3.48Å
9L35.3Very low38.6Very low101 Ų101101.7 Ų101.753%0.52960%0.602SS.*Hα-helixtrans-66.1-39.6176.8-129.196.9000112.4V5 L12 L13V5-L9 WeakPolarHBondContact O-CB 3.3Å; V5-L9 PolarHBondContact O-N 3.27Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-L13 HydrophobicContact CD2-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.87Å
10A43Very low38.3Very low59 Ų59101.9 Ų101.949%0.48862%0.616SS.*Hα-helixtrans-67.4-39.1179.700000112.1A6 L7 A14A6-A10 VanDerWaalsContact O-CB 3.31Å; A6-A10 WeakPolarHBondContact O-CB 3.17Å; A6-A10 PolarHBondContact O-N 2.88Å; L7-A10 PolarHBondContact O-N 2.88Å; A10-A14 VanDerWaalsContact O-CB 3.25Å; A10-A14 WeakPolarHBondContact O-CB 3.28Å; A10-A14 PolarHBondContact O-N 3.05Å
11V46.7Very low38.2Very low86 Ų86100.4 Ų100.452%0.52161%0.61SS.*Hα-helixtrans-68.3-41.4174.8174.90000110.9L7 A14 V15L7-V11 HydrophobicContact CD2-CG2 4.46Å; L7-V11 WeakPolarHBondContact O-CG2 3.29Å; L7-V11 PolarHBondContact O-N 3.46Å; L7-V11 VanDerWaalsContact O-N 3.11Å; V11-A14 PolarHBondContact O-N 3.24Å; V11-V15 VanDerWaalsContact O-CG2 3.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.4Å; V11-V15 PolarHBondContact O-N 3.07Å; V11-V15 VanDerWaalsContact O-N 3.11Å
12L40.9Very low38.4Very low107 Ų10799.5 Ų99.556%0.5661%0.606SS**Hα-helixtrans-64.6-40.7176.6-107.2154.6000113A8 L9 G16A8-L12 WeakPolarHBondContact O-CB 3.46Å; A8-L12 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-G16 PolarHBondContact O-N 3.24Å
13L39.8Very low38.9Very low114 Ų114100.8 Ų100.860%0.59761%0.61SS**Hα-helixtrans-72.5-35.9178.1-77.9165.2000112.5L9 S17L9-L13 HydrophobicContact CD2-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.87Å; L13-S17 VanDerWaalsContact O-CB 3.3Å; L13-S17 WeakPolarHBondContact O-CB 3.47Å; L13-S17 PolarHBondContact O-N 3.46Å
14A40.8Very low39.3Very low76 Ų7696.4 Ų96.463%0.62861%0.608SS**Hα-helixtrans-68.5-35.217700000112.6A10 V11A10-A14 VanDerWaalsContact O-CB 3.25Å; A10-A14 WeakPolarHBondContact O-CB 3.28Å; A10-A14 PolarHBondContact O-N 3.05Å; V11-A14 PolarHBondContact O-N 3.24Å
15V42.9Very low39Very low115 Ų11597.3 Ų97.370%0.69762%0.618SS**Hα-helixtrans-83.3-30178.6178.30000112.1V11V11-V15 VanDerWaalsContact O-CG2 3.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.4Å; V11-V15 PolarHBondContact O-N 3.07Å; V11-V15 VanDerWaalsContact O-N 3.11Å
16G32.5Very low39Very low58 Ų5895.1 Ų95.160%0.59861%0.609SS**Hα-helixtrans-78.4-27.3-179.800000115.3L12 Q18L12-G16 PolarHBondContact O-N 3.24Å; G16-Q18 PolarHBondContact O-N 3.1Å
17S35.7Very low39.3Very low90 Ų9097.3 Ų97.363%0.62962%0.619SS**SBendtrans-90.63.4-164-161.10000116.5L13L13-S17 VanDerWaalsContact O-CB 3.3Å; L13-S17 WeakPolarHBondContact O-CB 3.47Å; L13-S17 PolarHBondContact O-N 3.46Å
18Q40.1Very low39.6Very low129 Ų12997.1 Ų97.160%0.60362%0.624SS**SBendtrans-132.26.4-179.2-64.7-70.17.100115G16 A20 S21G16-Q18 PolarHBondContact O-N 3.1Å; Q18-A20 PolarHBondContact O-N 3.45Å; Q18-S21 PolarHBondContact OE1-OG 2.98Å
19A38.4Very low39.6Very low89 Ų8999.3 Ų99.374%0.73663%0.625SS**THydrogen-bonded Turntrans-73.1-6.6175.400000113.9
20A33.5Very low40.3Very low106 Ų10698.5 Ų98.588%0.87662%0.62SS**THydrogen-bonded Turntrans-107-3.5-173.600000115.2Q18Q18-A20 PolarHBondContact O-N 3.45Å
21S36.9Very low40.6Very low71 Ų7198.6 Ų98.650%0.49762%0.621SS.*SBendtrans-114.41.7-167.261.80000116.7Q18Q18-S21 PolarHBondContact OE1-OG 2.98Å
22L41.7Very low40.6Very low122 Ų122101.1 Ų101.164%0.63963%0.627SS**  trans-125.353.6-171.6-71.1170.8000113.8
23Q39.9Very low41Very low197 Ų19799.3 Ų99.392%0.92162%0.617SS**  trans-112.670.9162.7-159.7165.514.100109.4
24A40.4Very low41.6Very low89 Ų8998.5 Ų98.574%0.73661%0.606SS**SBendtrans176.9117.1149.900000111.6
25D32.6Very low42.2Very low142 Ų14297.4 Ų97.476%0.75960%0.597SS**  trans105122.7136.1-137.915.1000121
26A35.9Very low42.6Very low45 Ų4594.1 Ų94.137%0.37258%0.582SS.*  trans68.1135.4161.800000123.2S28 Q29A26-S28 PolarHBondContact O-N 3.41Å; A26-Q29 PolarHBondContact O-N 3.33Å
27P45Very low43.5Very low107 Ų10794 Ų9470%0.69558%0.575SS**Hα-helixtrans-71.7-16.3-171.128.1-35.4000116
28S48.7Very low44.5Very low80 Ų8091.8 Ų91.856%0.55956%0.557SS**Hα-helixtrans-75-27.4175.157.30000112.7A26 H32A26-S28 PolarHBondContact O-N 3.41Å; S28-H32 PolarHBondContact O-CD2 2.82Å
29Q41.8Very low45.6Very low102 Ų10290 Ų9048%0.47755%0.554SS.*Hα-helixtrans-73-30.6175.1-60.2-166.216.400111.8A26 A31 H32 I33A26-Q29 PolarHBondContact O-N 3.33Å; Q29-A31 VanDerWaalsContact C-N 3.29Å; Q29-A31 PolarHBondContact O-N 3.47Å; Q29-H32 CarbonylContact O-C 3.55Å; Q29-H32 PolarHBondContact O-N 3.01Å; Q29-H32 VanDerWaalsContact O-N 3.16Å; Q29-I33 HydrophobicContact CB-CD1 4.33Å; Q29-I33 WeakPolarHBondContact O-CB 3.49Å; Q29-I33 WeakPolarHBondContact O-CD1 3.19Å; Q29-I33 WeakPolarHBondContact O-CG1 3.42Å; Q29-I33 PolarHBondContact O-N 3.17Å
30L49Very low46.2Very low84 Ų8493.6 Ų93.644%0.4455%0.55SS..Hα-helixtrans-63.2-34.1176.7-66.2175.9000112.8R34 T89L30-R34 WeakPolarHBondContact O-CB 3.2Å; L30-R34 PolarHBondContact O-N 3.4Å; L30-T89 HydrophobicContact CD1-CG2 3.88Å
31A49.8Very low47.3Very low62 Ų6292 Ų9251%0.51253%0.525SS..Hα-helixtrans-67.4-41.2174.200000111.5Q29 R34 A35Q29-A31 VanDerWaalsContact C-N 3.29Å; Q29-A31 PolarHBondContact O-N 3.47Å; A31-R34 PolarHBondContact O-N 2.87Å; A31-A35 WeakPolarHBondContact O-CB 3.45Å; A31-A35 PolarHBondContact O-N 3.42Å
32H46.6Very low48.7Very low139 Ų13990.5 Ų90.564%0.64451%0.513SS*.Hα-helixtrans-69.8-37.2175.1-70.7-64.5000112.8S28 Q29 A35 A36S28-H32 PolarHBondContact O-CD2 2.82Å; Q29-H32 CarbonylContact O-C 3.55Å; Q29-H32 PolarHBondContact O-N 3.01Å; Q29-H32 VanDerWaalsContact O-N 3.16Å; H32-A35 PolarHBondContact O-N 2.85Å; H32-A36 WeakPolarHBondContact O-CB 3.5Å; H32-A36 PolarHBondContact O-N 3.48Å
33I49.2Very low49.5Very low68 Ų6889.8 Ų89.835%0.34951%0.506SS..Hα-helixtrans-67.7-41.5174.5-68.8162.4000110.2Q29 A36 A37Q29-I33 HydrophobicContact CB-CD1 4.33Å; Q29-I33 WeakPolarHBondContact O-CB 3.49Å; Q29-I33 WeakPolarHBondContact O-CD1 3.19Å; Q29-I33 WeakPolarHBondContact O-CG1 3.42Å; Q29-I33 PolarHBondContact O-N 3.17Å; I33-A36 PolarHBondContact O-N 3.37Å; I33-A37 WeakPolarHBondContact O-CB 3.5Å; I33-A37 PolarHBondContact O-N 2.93Å
34R51.3Low50.3Low98 Ų9883.2 Ų83.237%0.3749%0.485SS..Hα-helixtrans-64.2-42.9175.3177.9177.9-103.4-177-6.6111.4L30 A31 A37 D38 Q82 V85L30-R34 WeakPolarHBondContact O-CB 3.2Å; L30-R34 PolarHBondContact O-N 3.4Å; A31-R34 PolarHBondContact O-N 2.87Å; R34-A37 PolarHBondContact O-N 3.47Å; R34-D38 WeakPolarHBondContact O-CB 3.31Å; R34-D38 PolarHBondContact O-N 3.01Å; R34-Q82 HydrophobicContact CG-CG 4.26Å; R34-Q82 PolarHBondContact NH2-O 2.96Å; R34-V85 VanDerWaalsContact CZ-O 3.31Å; R34-V85 PolarHBondContact NH1-O 3.43Å; R34-V85 PolarHBondContact NH2-O 2.9Å
35A54.8Low51.4Low53 Ų5380.5 Ų80.544%0.43846%0.457SS..Hα-helixtrans-65.2-43.2174.900000111.7A31 H32 D38 V39A31-A35 WeakPolarHBondContact O-CB 3.45Å; A31-A35 PolarHBondContact O-N 3.42Å; H32-A35 PolarHBondContact O-N 2.85Å; A35-D38 PolarHBondContact O-N 3.49Å; A35-V39 VanDerWaalsContact O-CG2 3.28Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.26Å
36A50.5Low53Low45 Ų4578.5 Ų78.537%0.37244%0.443SS..Hα-helixtrans-64-43.8175.900000111.4H32 I33 D38 V39 Y40H32-A36 WeakPolarHBondContact O-CB 3.5Å; H32-A36 PolarHBondContact O-N 3.48Å; I33-A36 PolarHBondContact O-N 3.37Å; A36-D38 PolarHBondContact O-N 3.4Å; A36-V39 PolarHBondContact O-N 3.21Å; A36-Y40 WeakPolarHBondContact O-CB 3.23Å; A36-Y40 VanDerWaalsContact O-CD2 3.23Å; A36-Y40 WeakPolarHBondContact O-CD2 3.47Å; A36-Y40 PolarHBondContact O-N 2.92Å
37A52.5Low54Low55 Ų5579.6 Ų79.646%0.45545%0.448SS..Hα-helixtrans-61.8-41.9176.100000111.5I33 R34 Y40 M41I33-A37 WeakPolarHBondContact O-CB 3.5Å; I33-A37 PolarHBondContact O-N 2.93Å; R34-A37 PolarHBondContact O-N 3.47Å; A37-Y40 PolarHBondContact O-N 3.34Å; A37-M41 WeakPolarHBondContact O-CB 3.34Å; A37-M41 PolarHBondContact O-N 2.93Å
38D55.8Low54.5Low45 Ų4575.5 Ų75.524%0.24142%0.423CS..Hα-helixtrans-65.9-40.5177.2-164.331000111.7R34 A35 A36 M41 T42 K79R34-D38 WeakPolarHBondContact O-CB 3.31Å; R34-D38 PolarHBondContact O-N 3.01Å; A35-D38 PolarHBondContact O-N 3.49Å; A36-D38 PolarHBondContact O-N 3.4Å; D38-M41 PolarHBondContact O-N 3.49Å; D38-T42 VanDerWaalsContact O-CB 3.3Å; D38-T42 WeakPolarHBondContact O-CB 3.42Å; D38-T42 PolarHBondContact O-N 3.03Å; D38-T42 PolarHBondContact O-OG1 3.44Å; D38-K79 WeakPolarHBondContact OD1-CE 3.37Å; D38-K79 IonicContact OD1-NZ 3.64Å; D38-K79 IonicContact OD2-NZ 3.27Å
39V63.1Low55.2Low90 Ų9074 Ų7455%0.54541%0.408SS..Hα-helixtrans-63.3-47.7173.6171.50000111A35 A36 M41 T42 Q43A35-V39 VanDerWaalsContact O-CG2 3.28Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.26Å; A36-V39 PolarHBondContact O-N 3.21Å; V39-M41 PolarHBondContact O-N 3.36Å; V39-T42 PolarHBondContact O-N 3.33Å; V39-Q43 VanDerWaalsContact O-CB 3.28Å; V39-Q43 WeakPolarHBondContact O-CB 3.4Å; V39-Q43 PolarHBondContact O-N 2.9Å
40Y51.1Low56.3Low165 Ų16575.2 Ų75.265%0.64741%0.412SS*.Hα-helixtrans-63.6-41.3178.2-91.7-73.7000112.2A36 A37 Q43 A44A36-Y40 WeakPolarHBondContact O-CB 3.23Å; A36-Y40 VanDerWaalsContact O-CD2 3.23Å; A36-Y40 WeakPolarHBondContact O-CD2 3.47Å; A36-Y40 PolarHBondContact O-N 2.92Å; A37-Y40 PolarHBondContact O-N 3.34Å; Y40-Q43 PolarHBondContact O-N 2.78Å; Y40-A44 VanDerWaalsContact O-CB 3.26Å; Y40-A44 WeakPolarHBondContact O-CB 3.35Å; Y40-A44 PolarHBondContact O-N 3.29Å
41M57.2Low56.7Low74 Ų7472.7 Ų72.737%0.36540%0.403SS..Hα-helixtrans-66-41178.6-160.776.9-172.400111.1A37 D38 V39 K45 I74 I78A37-M41 WeakPolarHBondContact O-CB 3.34Å; A37-M41 PolarHBondContact O-N 2.93Å; D38-M41 PolarHBondContact O-N 3.49Å; V39-M41 PolarHBondContact O-N 3.36Å; M41-K45 WeakPolarHBondContact O-CB 3.35Å; M41-K45 PolarHBondContact O-N 3.33Å; M41-I74 HydrophobicContact CE-CG2 4.31Å; M41-I78 HydrophobicContact CE-CD1 3.36Å; M41-I78 HydrophobicContact SD-CD1 4.5Å
42T65.4Low57.1Low39 Ų3970.7 Ų70.724%0.23938%0.384CS..Hα-helixtrans-65.2-44.3175.1-55.70000110.6D38 V39 A44 K45 E46D38-T42 VanDerWaalsContact O-CB 3.3Å; D38-T42 WeakPolarHBondContact O-CB 3.42Å; D38-T42 PolarHBondContact O-N 3.03Å; D38-T42 PolarHBondContact O-OG1 3.44Å; V39-T42 PolarHBondContact O-N 3.33Å; T42-A44 PolarHBondContact O-N 3.49Å; T42-K45 PolarHBondContact O-N 2.91Å; T42-E46 WeakPolarHBondContact O-CG 3.49Å; T42-E46 PolarHBondContact O-N 3.01Å
43Q59.1Low57.8Low107 Ų10768 Ų6850%0.537%0.374SS..Hα-helixtrans-67-36.9178.8-169.2171.95.800112.5V39 Y40 S47V39-Q43 VanDerWaalsContact O-CB 3.28Å; V39-Q43 WeakPolarHBondContact O-CB 3.4Å; V39-Q43 PolarHBondContact O-N 2.9Å; Y40-Q43 PolarHBondContact O-N 2.78Å; Q43-S47 VanDerWaalsContact O-CB 3.25Å; Q43-S47 WeakPolarHBondContact O-CB 3.37Å; Q43-S47 PolarHBondContact O-N 2.94Å; Q43-S47 PolarHBondContact O-OG 3.21Å
44A55.8Low58.2Low58 Ų5873 Ų7348%0.47940%0.396SS..Hα-helixtrans-66-44.3174.200000111.5Y40 T42 S47 A48Y40-A44 VanDerWaalsContact O-CB 3.26Å; Y40-A44 WeakPolarHBondContact O-CB 3.35Å; Y40-A44 PolarHBondContact O-N 3.29Å; T42-A44 PolarHBondContact O-N 3.49Å; A44-S47 PolarHBondContact O-N 2.93Å; A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 2.87Å
45K64.8Low58.5Low33 Ų3371.2 Ų71.214%0.14339%0.394CS..Hα-helixtrans-56.8-53.7172.7178.3-167.5171.2-177.80110.6M41 T42 S47 A48 I49 E72 H75M41-K45 WeakPolarHBondContact O-CB 3.35Å; M41-K45 PolarHBondContact O-N 3.33Å; T42-K45 PolarHBondContact O-N 2.91Å; K45-S47 VanDerWaalsContact C-N 3.31Å; K45-S47 PolarHBondContact O-N 2.95Å; K45-A48 PolarHBondContact O-N 2.91Å; K45-I49 HydrophobicContact CD-CD1 4.31Å; K45-I49 HydrophobicContact CG-CD1 3.79Å; K45-I49 WeakPolarHBondContact O-CG1 3.2Å; K45-I49 PolarHBondContact O-N 2.87Å; K45-E72 IonicContact NZ-OE1 3.93Å; K45-E72 PolarHBondContact NZ-OE1 3.33Å; K45-H75 HydrophobicContact CD-CB 4Å
46E66.1Low58.2Low100 Ų10074.1 Ų74.147%0.46740%0.402SS..Hα-helixtrans-62.4-38.4-178.2-76.2-174.2-171.100112.7T42 I49 K50T42-E46 WeakPolarHBondContact O-CG 3.49Å; T42-E46 PolarHBondContact O-N 3.01Å; E46-I49 PolarHBondContact O-N 3.46Å; E46-K50 WeakPolarHBondContact O-CB 3.41Å; E46-K50 WeakPolarHBondContact O-CG 3.42Å; E46-K50 PolarHBondContact O-N 3.41Å
47S56.3Low58.2Low67 Ų6779.9 Ų79.947%0.46943%0.426SS..Hα-helixtrans-68.2-38.8177.9-59.20000111.5Q43 A44 K45 A51Q43-S47 VanDerWaalsContact O-CB 3.25Å; Q43-S47 WeakPolarHBondContact O-CB 3.37Å; Q43-S47 PolarHBondContact O-N 2.94Å; Q43-S47 PolarHBondContact O-OG 3.21Å; A44-S47 PolarHBondContact O-N 2.93Å; K45-S47 VanDerWaalsContact C-N 3.31Å; K45-S47 PolarHBondContact O-N 2.95Å; S47-A51 VanDerWaalsContact O-CB 3.26Å; S47-A51 WeakPolarHBondContact O-CB 3.28Å; S47-A51 PolarHBondContact O-N 3.47Å
48A56.1Low58.4Low22 Ų2280.2 Ų80.218%0.18242%0.423CS..Hα-helixtrans-65.6-43.5174.300000111.6A44 K45 A51 L52 L71A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 2.87Å; K45-A48 PolarHBondContact O-N 2.91Å; A48-A51 PolarHBondContact O-N 3.33Å; A48-L52 WeakPolarHBondContact O-CB 3.33Å; A48-L52 VanDerWaalsContact O-CG 3.26Å; A48-L52 WeakPolarHBondContact O-CG 3.21Å; A48-L52 PolarHBondContact O-N 3.34Å; A48-L71 HydrophobicContact CB-CD1 4.05Å; A48-L71 HydrophobicContact CB-CD2 4.05Å
49I63Low58.2Low47 Ų4783.6 Ų83.624%0.24145%0.447CS..Hα-helixtrans-64.3-45.9176.7-67.2171.8000110.9K45 E46 A51 L52 D53K45-I49 HydrophobicContact CD-CD1 4.31Å; K45-I49 HydrophobicContact CG-CD1 3.79Å; K45-I49 WeakPolarHBondContact O-CG1 3.2Å; K45-I49 PolarHBondContact O-N 2.87Å; E46-I49 PolarHBondContact O-N 3.46Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 2.92Å; I49-L52 CarbonylContact O-C 3.58Å; I49-L52 WeakPolarHBondContact O-CA 3.34Å; I49-L52 WeakPolarHBondContact O-CB 3.36Å; I49-L52 PolarHBondContact O-N 2.96Å; I49-L52 VanDerWaalsContact O-N 3.13Å; I49-D53 PolarHBondContact O-N 3.34Å
50K65Low57.7Low129 Ų12986.7 Ų86.756%0.56145%0.45SS*.Hα-helixtrans-62.8-37.3176-78.4175.3179.71660112.8E46 L52 D53 Q54E46-K50 WeakPolarHBondContact O-CB 3.41Å; E46-K50 WeakPolarHBondContact O-CG 3.42Å; E46-K50 PolarHBondContact O-N 3.41Å; K50-L52 VanDerWaalsContact C-N 3.33Å; K50-D53 PolarHBondContact O-N 2.94Å; K50-Q54 WeakPolarHBondContact O-CG 3.2Å; K50-Q54 PolarHBondContact O-N 2.86Å
51A57.7Low57.9Low30 Ų3084 Ų8425%0.24844%0.444CS..Hα-helixtrans-66.4-37.5174.700000111.5L7 S47 A48 I49 D53 Q54 L55L7-A51 HydrophobicContact CD1-CB 4.11Å; S47-A51 VanDerWaalsContact O-CB 3.26Å; S47-A51 WeakPolarHBondContact O-CB 3.28Å; S47-A51 PolarHBondContact O-N 3.47Å; A48-A51 PolarHBondContact O-N 3.33Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 2.92Å; A51-D53 VanDerWaalsContact C-N 3.33Å; A51-Q54 PolarHBondContact O-N 3.17Å; A51-L55 WeakPolarHBondContact O-CD1 3.23Å
52L57.7Low57.8Low20 Ų2089 Ų8911%0.10547%0.466CS..Hα-helixtrans-66-32.8171.6-71.7170000112.4A48 I49 K50 L55 K64 L67 L71A48-L52 WeakPolarHBondContact O-CB 3.33Å; A48-L52 VanDerWaalsContact O-CG 3.26Å; A48-L52 WeakPolarHBondContact O-CG 3.21Å; A48-L52 PolarHBondContact O-N 3.34Å; I49-L52 CarbonylContact O-C 3.58Å; I49-L52 WeakPolarHBondContact O-CA 3.34Å; I49-L52 WeakPolarHBondContact O-CB 3.36Å; I49-L52 PolarHBondContact O-N 2.96Å; I49-L52 VanDerWaalsContact O-N 3.13Å; K50-L52 VanDerWaalsContact C-N 3.33Å; L52-L55 HydrophobicContact CD2-CD1 4.35Å; L52-L55 WeakPolarHBondContact O-CB 3.23Å; L52-L55 PolarHBondContact O-N 3.37Å; L52-K64 HydrophobicContact CB-CG 4.21Å; L52-K64 HydrophobicContact CD2-CG 4.39Å; L52-K64 WeakPolarHBondContact O-CD 3.15Å; L52-K64 WeakPolarHBondContact O-CE 3.31Å; L52-K64 PolarHBondContact O-NZ 3.37Å; L52-L67 HydrophobicContact CD1-CB 4.27Å; L52-L71 HydrophobicContact CD1-CD1 4.36Å
53D62.3Low57.2Low83 Ų8392.2 Ų92.244%0.44448%0.481SS..Hα-helixtrans-72.9-29.1174.9-74.1-21.7000113.7I49 K50 A51 L55 K64I49-D53 PolarHBondContact O-N 3.34Å; K50-D53 PolarHBondContact O-N 2.94Å; A51-D53 VanDerWaalsContact C-N 3.33Å; D53-L55 PolarHBondContact O-N 2.85Å; D53-K64 VanDerWaalsContact OD1-CE 3.31Å; D53-K64 WeakPolarHBondContact OD1-CE 3.32Å; D53-K64 IonicContact OD1-NZ 2.74Å; D53-K64 PolarHBondContact OD1-NZ 2.87Å
54Q57.5Low57Low172 Ų17289.1 Ų89.180%0.80447%0.466SS*.THydrogen-bonded Turntrans-78.82.8174.8-70.7179.4-0.300114.4K50 A51 D56K50-Q54 WeakPolarHBondContact O-CG 3.2Å; K50-Q54 PolarHBondContact O-N 2.86Å; A51-Q54 PolarHBondContact O-N 3.17Å; Q54-D56 VanDerWaalsContact C-N 3.35Å
55L56.6Low57.3Low62 Ų6289.2 Ų89.233%0.32547%0.467SS..THydrogen-bonded Turntrans-93.920.4-178.7-90.2151.9000113.6F4 A51 L52 D53 D57 T58F4-L55 HydrophobicContact CE2-CD1 4.09Å; F4-L55 HydrophobicContact CE2-CD2 3.99Å; F4-L55 HydrophobicContact CZ-CD1 4.04Å; A51-L55 WeakPolarHBondContact O-CD1 3.23Å; L52-L55 HydrophobicContact CD2-CD1 4.35Å; L52-L55 WeakPolarHBondContact O-CB 3.23Å; L52-L55 PolarHBondContact O-N 3.37Å; D53-L55 PolarHBondContact O-N 2.85Å; L55-D57 PolarHBondContact O-N 3.3Å; L55-T58 PolarHBondContact O-N 3.46Å; L55-T58 PolarHBondContact O-OG1 2.7Å
56D48.6Very low57.1Low113 Ų11390 Ų9060%0.60448%0.477SS*.THydrogen-bonded Turntrans-55.5-8.7-168.3-87.5-17.5000117.7Q54Q54-D56 VanDerWaalsContact C-N 3.35Å
57D51.6Low56.6Low166 Ų16688.7 Ų88.789%0.88847%0.472SS*.THydrogen-bonded Turntrans-104.725.1-177.7-76.7-36.9000115.1L55L55-D57 PolarHBondContact O-N 3.3Å
58T56.3Low57Low63 Ų6386.9 Ų86.939%0.38746%0.462SS..SBendtrans-128.4143.1-178.554.90000114.8L55 Y60L55-T58 PolarHBondContact O-N 3.46Å; L55-T58 PolarHBondContact O-OG1 2.7Å; T58-Y60 PolarHBondContact O-N 2.89Å
59P50.6Low57.6Low115 Ų11590.8 Ų90.875%0.74748%0.476SS*.SBendtrans-72.418.6-174.430.7-36.8000115
60Y52.4Low57.6Low155 Ų15596.3 Ų96.361%0.60849%0.494SS*.  trans-106.539.2-171.1-59-73.6000113.3T58 E62 L63 K64T58-Y60 PolarHBondContact O-N 2.89Å; Y60-E62 VanDerWaalsContact C-N 3.3Å; Y60-E62 PolarHBondContact O-N 2.89Å; Y60-L63 PolarHBondContact O-N 3.49Å; Y60-L63 VanDerWaalsContact O-N 3.14Å; Y60-K64 PolarHBondContact O-N 3.37Å
61Q56.1Low57.3Low110 Ų11092.5 Ų92.551%0.51448%0.479SS..Hα-helixtrans-58.9-36.7-177.2-70.8-69.2-8.400113.2K64 A65Q61-K64 PolarHBondContact O-N 2.82Å; Q61-A65 PolarHBondContact O-N 3.4Å
62E54.3Low57.8Low177 Ų17794.7 Ų94.783%0.82748%0.484SS*.Hα-helixtrans-67.9-37.3176.4-67.9-176.4170.200112.7Y60 A65 S66Y60-E62 VanDerWaalsContact C-N 3.3Å; Y60-E62 PolarHBondContact O-N 2.89Å; E62-A65 PolarHBondContact O-N 3.06Å; E62-S66 WeakPolarHBondContact O-CB 2.95Å; E62-S66 PolarHBondContact O-N 3.44Å
63L53.8Low58.5Low107 Ų10797 Ų9756%0.5650%0.497SS*.Hα-helixtrans-68.9-39.2177.3-16872.5000110.8Y60 S66 L67Y60-L63 PolarHBondContact O-N 3.49Å; Y60-L63 VanDerWaalsContact O-N 3.14Å; L63-S66 PolarHBondContact O-N 2.87Å; L63-L67 HydrophobicContact CD1-CD1 4.34Å; L63-L67 HydrophobicContact CG-CD1 3.97Å; L63-L67 WeakPolarHBondContact O-CB 3.07Å; L63-L67 WeakPolarHBondContact O-CD1 3.43Å; L63-L67 PolarHBondContact O-N 3.33Å
64K55.1Low58.5Low43 Ų4397.5 Ų97.519%0.18750%0.499CS..Hα-helixtrans-60.1-49173.4179.2179.2170.9178.60111.2L52 D53 Y60 Q61 S66 L67 A68L52-K64 HydrophobicContact CB-CG 4.21Å; L52-K64 HydrophobicContact CD2-CG 4.39Å; L52-K64 WeakPolarHBondContact O-CD 3.15Å; L52-K64 WeakPolarHBondContact O-CE 3.31Å; L52-K64 PolarHBondContact O-NZ 3.37Å; D53-K64 VanDerWaalsContact OD1-CE 3.31Å; D53-K64 WeakPolarHBondContact OD1-CE 3.32Å; D53-K64 IonicContact OD1-NZ 2.74Å; D53-K64 PolarHBondContact OD1-NZ 2.87Å; Y60-K64 PolarHBondContact O-N 3.37Å; Q61-K64 PolarHBondContact O-N 2.82Å; K64-S66 PolarHBondContact O-N 3.4Å; K64-L67 PolarHBondContact O-N 3.3Å; K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 3.45Å
65A62.4Low58.6Low60 Ų6090 Ų9050%0.49646%0.464SS..Hα-helixtrans-61.6-43.217800000111.7Q61 E62 A68 Q69Q61-A65 PolarHBondContact O-N 3.4Å; E62-A65 PolarHBondContact O-N 3.06Å; A65-A68 PolarHBondContact O-N 3.32Å; A65-Q69 WeakPolarHBondContact O-CB 3.26Å; A65-Q69 PolarHBondContact O-N 2.9Å
66S59.6Low59.3Low50 Ų5090.9 Ų90.935%0.3547%0.468SS..Hα-helixtrans-64.5-41.3176.5-169.10000112.5E62 L63 K64 R70E62-S66 WeakPolarHBondContact O-CB 2.95Å; E62-S66 PolarHBondContact O-N 3.44Å; L63-S66 PolarHBondContact O-N 2.87Å; K64-S66 PolarHBondContact O-N 3.4Å; S66-R70 WeakPolarHBondContact O-CB 3.42Å; S66-R70 WeakPolarHBondContact O-CG 3.43Å; S66-R70 PolarHBondContact O-N 3.14Å; S66-R70 PolarHBondContact OG-NE 3.08Å
67L56.7Low59.8Low71 Ų7189.8 Ų89.837%0.37246%0.463SS..Hα-helixtrans-66-45.7176.4-105.6106.3000112L52 L63 K64 Q69 R70 L71L52-L67 HydrophobicContact CD1-CB 4.27Å; L63-L67 HydrophobicContact CD1-CD1 4.34Å; L63-L67 HydrophobicContact CG-CD1 3.97Å; L63-L67 WeakPolarHBondContact O-CB 3.07Å; L63-L67 WeakPolarHBondContact O-CD1 3.43Å; L63-L67 PolarHBondContact O-N 3.33Å; K64-L67 PolarHBondContact O-N 3.3Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 3.44Å; L67-R70 PolarHBondContact O-N 2.94Å; L67-L71 WeakPolarHBondContact O-CB 3.45Å; L67-L71 WeakPolarHBondContact O-CD1 3.31Å; L67-L71 PolarHBondContact O-N 3.05Å
68A64.3Low60Low30 Ų3085.2 Ų85.225%0.24844%0.437CS..Hα-helixtrans-59.7-45.4178.200000111K64 A65 L71 E72K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 3.45Å; A65-A68 PolarHBondContact O-N 3.32Å; A68-L71 PolarHBondContact O-N 3.38Å; A68-E72 WeakPolarHBondContact O-CB 3.32Å; A68-E72 PolarHBondContact O-N 3.37Å
69Q67.5Low60.3Low103 Ų10386.1 Ų86.148%0.48144%0.436SS..Hα-helixtrans-61.7-46176.4-170.26437.900111.8A65 L67 L71 E72 D73A65-Q69 WeakPolarHBondContact O-CB 3.26Å; A65-Q69 PolarHBondContact O-N 2.9Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 3.44Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 2.91Å; Q69-E72 WeakPolarHBondContact O-CB 3.44Å; Q69-E72 PolarHBondContact O-N 3.45Å; Q69-D73 PolarHBondContact NE2-OD1 2.81Å; Q69-D73 PolarHBondContact O-N 3.5Å
70R64Low61.1Low163 Ų16386.1 Ų86.162%0.61543%0.426SS*.Hα-helixtrans-62.4-39.4177.8-73.7169.6-175.5-1002.5112.4S66 L67 E72 D73 I74S66-R70 WeakPolarHBondContact O-CB 3.42Å; S66-R70 WeakPolarHBondContact O-CG 3.43Å; S66-R70 PolarHBondContact O-N 3.14Å; S66-R70 PolarHBondContact OG-NE 3.08Å; L67-R70 PolarHBondContact O-N 2.94Å; R70-E72 VanDerWaalsContact C-N 3.33Å; R70-D73 PolarHBondContact O-N 3.32Å; R70-I74 WeakPolarHBondContact O-CB 3.42Å; R70-I74 WeakPolarHBondContact O-CD1 3.2Å; R70-I74 WeakPolarHBondContact O-CG1 3.45Å; R70-I74 PolarHBondContact O-N 3.45Å
71L58.4Low61.6Low49 Ų4983.6 Ų83.626%0.25742%0.421SS..Hα-helixtrans-63.3-39.8174.8-95.6143.5000112A48 L52 L67 A68 Q69 H75A48-L71 HydrophobicContact CB-CD1 4.05Å; A48-L71 HydrophobicContact CB-CD2 4.05Å; L52-L71 HydrophobicContact CD1-CD1 4.36Å; L67-L71 WeakPolarHBondContact O-CB 3.45Å; L67-L71 WeakPolarHBondContact O-CD1 3.31Å; L67-L71 PolarHBondContact O-N 3.05Å; A68-L71 PolarHBondContact O-N 3.38Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 2.91Å; L71-H75 WeakPolarHBondContact O-CB 3.35Å; L71-H75 PolarHBondContact O-N 2.93Å
72E69.1Low61.5Low76 Ų7680.5 Ų80.536%0.35541%0.407SS..Hα-helixtrans-66.3-46175.6-169.6124.1-122.100111.8K45 A68 Q69 R70 I74 H75 N76K45-E72 IonicContact NZ-OE1 3.93Å; K45-E72 PolarHBondContact NZ-OE1 3.33Å; A68-E72 WeakPolarHBondContact O-CB 3.32Å; A68-E72 PolarHBondContact O-N 3.37Å; Q69-E72 WeakPolarHBondContact O-CB 3.44Å; Q69-E72 PolarHBondContact O-N 3.45Å; R70-E72 VanDerWaalsContact C-N 3.33Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 2.98Å; E72-H75 PolarHBondContact O-N 3.46Å; E72-N76 WeakPolarHBondContact O-CB 3.44Å; E72-N76 PolarHBondContact O-N 2.93Å; E72-N76 PolarHBondContact O-ND2 3.37Å
73D71.1Confident61.8Low69 Ų6976.1 Ų76.137%0.36940%0.4SS..Hα-helixtrans-63.1-39.6178.3-64.8-23000111.6Q69 R70 N77Q69-D73 PolarHBondContact NE2-OD1 2.81Å; Q69-D73 PolarHBondContact O-N 3.5Å; R70-D73 PolarHBondContact O-N 3.32Å; D73-N77 WeakPolarHBondContact O-CB 3.48Å; D73-N77 PolarHBondContact O-N 2.84Å; D73-N77 PolarHBondContact O-ND2 3.49Å
74I62.8Low62.1Low93 Ų9378.1 Ų78.148%0.47741%0.407SS..Hα-helixtrans-64.6-46.9175-71.7166000110.9M41 R70 E72 N76 N77 I78M41-I74 HydrophobicContact CE-CG2 4.31Å; R70-I74 WeakPolarHBondContact O-CB 3.42Å; R70-I74 WeakPolarHBondContact O-CD1 3.2Å; R70-I74 WeakPolarHBondContact O-CG1 3.45Å; R70-I74 PolarHBondContact O-N 3.45Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 2.98Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 3.15Å; I74-N77 PolarHBondContact O-N 3.3Å; I74-I78 HydrophobicContact CG2-CD1 3.68Å; I74-I78 WeakPolarHBondContact O-CB 3.43Å; I74-I78 VanDerWaalsContact O-CG1 3.31Å; I74-I78 WeakPolarHBondContact O-CG1 3.34Å; I74-I78 PolarHBondContact O-N 3.22Å
75H60.3Low61.9Low15 Ų1577.9 Ų77.97%0.06941%0.409CS..Hα-helixtrans-60.3-43.5178.5-178.382.6000111.6K45 L71 E72 I78 K79K45-H75 HydrophobicContact CD-CB 4Å; L71-H75 WeakPolarHBondContact O-CB 3.35Å; L71-H75 PolarHBondContact O-N 2.93Å; E72-H75 PolarHBondContact O-N 3.46Å; H75-I78 PolarHBondContact O-N 2.97Å; H75-K79 WeakPolarHBondContact NE2-CE 3.37Å; H75-K79 PolarHBondContact O-N 3.47Å
76N69.6Low61.4Low80 Ų8079.4 Ų79.443%0.42842%0.416SS..Hα-helixtrans-69.5-41.8-179.2-69.2-20.9000112.1E72 I74 I78 K79 Q80E72-N76 WeakPolarHBondContact O-CB 3.44Å; E72-N76 PolarHBondContact O-N 2.93Å; E72-N76 PolarHBondContact O-ND2 3.37Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 3.15Å; N76-I78 VanDerWaalsContact C-N 3.35Å; N76-I78 PolarHBondContact O-N 3.49Å; N76-K79 PolarHBondContact O-N 3.3Å; N76-Q80 WeakPolarHBondContact O-CB 3.41Å; N76-Q80 PolarHBondContact O-N 3.47Å
77N59.6Low61.1Low90 Ų9082.3 Ų82.348%0.48143%0.434SS..Hα-helixtrans-61.4-42.7174.6-83.9-54.7000111.8D73 I74 Q80 M81D73-N77 WeakPolarHBondContact O-CB 3.48Å; D73-N77 PolarHBondContact O-N 2.84Å; D73-N77 PolarHBondContact O-ND2 3.49Å; I74-N77 PolarHBondContact O-N 3.3Å; N77-Q80 PolarHBondContact O-N 3.31Å; N77-M81 WeakPolarHBondContact O-CG 3.32Å; N77-M81 PolarHBondContact O-N 2.98Å
78I57.1Low60.7Low70 Ų7085.9 Ų85.936%0.35945%0.45SS..Hα-helixtrans-65.4-42.4178-71.6167000111.2M41 I74 H75 N76 Q80 M81 Q82M41-I78 HydrophobicContact CE-CD1 3.36Å; M41-I78 HydrophobicContact SD-CD1 4.5Å; I74-I78 HydrophobicContact CG2-CD1 3.68Å; I74-I78 WeakPolarHBondContact O-CB 3.43Å; I74-I78 VanDerWaalsContact O-CG1 3.31Å; I74-I78 WeakPolarHBondContact O-CG1 3.34Å; I74-I78 PolarHBondContact O-N 3.22Å; H75-I78 PolarHBondContact O-N 2.97Å; N76-I78 VanDerWaalsContact C-N 3.35Å; N76-I78 PolarHBondContact O-N 3.49Å; I78-Q80 VanDerWaalsContact C-N 3.35Å; I78-Q80 PolarHBondContact O-N 2.98Å; I78-M81 PolarHBondContact O-N 3.14Å; I78-Q82 VanDerWaalsContact O-CB 3.26Å; I78-Q82 WeakPolarHBondContact O-CB 3.34Å; I78-Q82 PolarHBondContact O-N 2.93Å
79K62.6Low60.3Low82 Ų8288.1 Ų88.136%0.35746%0.461SS..Hα-helixtrans-63.6-39.2174.7-82.4-159.4168.2-177.40112.9D38 H75 N76 Q82 A83D38-K79 WeakPolarHBondContact OD1-CE 3.37Å; D38-K79 IonicContact OD1-NZ 3.64Å; D38-K79 IonicContact OD2-NZ 3.27Å; H75-K79 WeakPolarHBondContact NE2-CE 3.37Å; H75-K79 PolarHBondContact O-N 3.47Å; N76-K79 PolarHBondContact O-N 3.3Å; K79-Q82 PolarHBondContact O-N 2.86Å; K79-A83 WeakPolarHBondContact O-CB 3.23Å; K79-A83 PolarHBondContact O-N 2.88Å
80Q67.1Low59.4Low115 Ų11590 Ų9054%0.53747%0.474SS..Hα-helixtrans-65.8-42.7177.4-169175.217.700111.3N76 N77 I78 A83 Q84N76-Q80 WeakPolarHBondContact O-CB 3.41Å; N76-Q80 PolarHBondContact O-N 3.47Å; N77-Q80 PolarHBondContact O-N 3.31Å; I78-Q80 VanDerWaalsContact C-N 3.35Å; I78-Q80 PolarHBondContact O-N 2.98Å; Q80-A83 PolarHBondContact O-N 3.2Å; Q80-Q84 WeakPolarHBondContact O-CG 3.27Å; Q80-Q84 PolarHBondContact O-N 3.01Å
81M62.5Low58.7Low103 Ų10386.6 Ų86.651%0.50747%0.472SS..Hα-helixtrans-63.1-47.6173.1-70.4-178.885.200110.9N77 I78 A83 Q84 V85N77-M81 WeakPolarHBondContact O-CG 3.32Å; N77-M81 PolarHBondContact O-N 2.98Å; I78-M81 PolarHBondContact O-N 3.14Å; M81-A83 VanDerWaalsContact C-N 3.3Å; M81-A83 PolarHBondContact O-N 3.46Å; M81-Q84 PolarHBondContact O-N 2.9Å; M81-Q84 VanDerWaalsContact O-N 3.08Å; M81-V85 WeakPolarHBondContact O-CG2 3.49Å; M81-V85 PolarHBondContact O-N 3.32Å
82Q52.7Low58.4Low45 Ų4586.3 Ų86.321%0.2147%0.472CS..Hα-helixtrans-57.8-39.6178.8-175.4-175.7-9.900112.8R34 I78 K79 V85R34-Q82 HydrophobicContact CG-CG 4.26Å; R34-Q82 PolarHBondContact NH2-O 2.96Å; I78-Q82 VanDerWaalsContact O-CB 3.26Å; I78-Q82 WeakPolarHBondContact O-CB 3.34Å; I78-Q82 PolarHBondContact O-N 2.93Å; K79-Q82 PolarHBondContact O-N 2.86Å; Q82-V85 PolarHBondContact O-N 3.49Å
83A62.2Low57.5Low84 Ų8487.2 Ų87.269%0.69448%0.483SS*.Hα-helixtrans-69.5-30.8177.300000113.1K79 Q80 M81 V85K79-A83 WeakPolarHBondContact O-CB 3.23Å; K79-A83 PolarHBondContact O-N 2.88Å; Q80-A83 PolarHBondContact O-N 3.2Å; M81-A83 VanDerWaalsContact C-N 3.3Å; M81-A83 PolarHBondContact O-N 3.46Å; A83-V85 VanDerWaalsContact C-N 3.28Å
84Q58.3Low56.5Low149 Ų14986.8 Ų86.870%0.69649%0.485SS*.Hα-helixtrans-76.9-15.1175.8-70.2176.518.500112.9Q80 M81 S86Q80-Q84 WeakPolarHBondContact O-CG 3.27Å; Q80-Q84 PolarHBondContact O-N 3.01Å; M81-Q84 PolarHBondContact O-N 2.9Å; M81-Q84 VanDerWaalsContact O-N 3.08Å; Q84-S86 PolarHBondContact O-N 3.42Å
85V51.8Low56Low38 Ų3885.9 Ų85.923%0.2349%0.487CS..  trans-97.787.4178.4-1680000110.9R34 M81 Q82 A83 V92R34-V85 VanDerWaalsContact CZ-O 3.31Å; R34-V85 PolarHBondContact NH1-O 3.43Å; R34-V85 PolarHBondContact NH2-O 2.9Å; M81-V85 WeakPolarHBondContact O-CG2 3.49Å; M81-V85 PolarHBondContact O-N 3.32Å; Q82-V85 PolarHBondContact O-N 3.49Å; A83-V85 VanDerWaalsContact C-N 3.28Å; V85-V92 HydrophobicContact CB-CG1 4.43Å; V85-V92 HydrophobicContact CG1-CB 4.19Å; V85-V92 HydrophobicContact CG1-CG1 3.59Å; V85-V92 HydrophobicContact CG1-CG2 4.24Å; V85-V92 HydrophobicContact CG2-CG1 3.93Å
86S51.1Low55.6Low93 Ų9388.2 Ų88.265%0.6550%0.499SS*.  trans-89.9167.9163.9-149.50000110.2Q84 M88Q84-S86 PolarHBondContact O-N 3.42Å; S86-M88 PolarHBondContact O-N 2.97Å
87P54.7Low54.8Low110 Ų11087.8 Ų87.871%0.71450%0.502SS*.SBendtrans-75.793.9-147.634.4-35.9000113.1
88M47.8Very low54.8Low146 Ų14689.1 Ų89.172%0.71951%0.51SS*.  trans-139.784.7165.3-144100.8169.400107.4S86 D90S86-M88 PolarHBondContact O-N 2.97Å; M88-D90 PolarHBondContact O-N 3.47Å
89T56.9Low54.7Low78 Ų7889.2 Ų89.248%0.47952%0.521SS..THydrogen-bonded Turntrans-100.357.5-154.6-270000115.2L30L30-T89 HydrophobicContact CD1-CG2 3.88Å
90D47.7Very low54.1Low142 Ų14288.1 Ų88.176%0.75952%0.521SS*.THydrogen-bonded Turntrans-145.8-45.2161.5-84.2-42.1000111.5M88 V92 S94M88-D90 PolarHBondContact O-N 3.47Å; D90-V92 PolarHBondContact O-N 3.45Å; D90-S94 PolarHBondContact O-N 3.39Å
91T48.6Very low54Low92 Ų9285.1 Ų85.156%0.56452%0.516SS*.Hα-helixtrans-66.9-37.6179.129.20000112.9V93 S94 S95T91-V93 PolarHBondContact O-N 2.86Å; T91-S94 PolarHBondContact O-N 3.39Å; T91-S94 PolarHBondContact O-OG 3Å; T91-S95 WeakPolarHBondContact O-CB 3.1Å; T91-S95 PolarHBondContact O-N 2.64Å; T91-S95 PolarHBondContact O-OG 2.81Å; T91-S95 VanDerWaalsContact O-OG 3.13Å
92V52.8Low54.3Low43 Ų4388 Ų8826%0.26153%0.528SS..Hα-helixtrans-69.9-34.9-178.6-179.40000112.6V85 D90 S95 I96V85-V92 HydrophobicContact CB-CG1 4.43Å; V85-V92 HydrophobicContact CG1-CB 4.19Å; V85-V92 HydrophobicContact CG1-CG1 3.59Å; V85-V92 HydrophobicContact CG1-CG2 4.24Å; V85-V92 HydrophobicContact CG2-CG1 3.93Å; D90-V92 PolarHBondContact O-N 3.45Å; V92-S95 PolarHBondContact O-N 2.93Å; V92-I96 HydrophobicContact CG1-CD1 3.46Å; V92-I96 VanDerWaalsContact CG1-CD1 3.46Å; V92-I96 HydrophobicContact CG1-CG1 4.03Å; V92-I96 VanDerWaalsContact O-CB 3.29Å; V92-I96 WeakPolarHBondContact O-CB 3.3Å; V92-I96 WeakPolarHBondContact O-CG1 3.28Å; V92-I96 PolarHBondContact O-N 3.26Å
93V49.5Very low54.7Low95 Ų9590.7 Ų90.758%0.57654%0.543SS*.Hα-helixtrans-67.3-41.31771780000110.4T91 S97T91-V93 PolarHBondContact O-N 2.86Å; V93-S97 VanDerWaalsContact O-CB 3.27Å; V93-S97 WeakPolarHBondContact O-CB 3.35Å; V93-S97 PolarHBondContact O-N 2.89Å
94S51.6Low54.5Low60 Ų6095.8 Ų95.842%0.4255%0.545SS..Hα-helixtrans-65.7-45.6175.470.10000112.3D90 T91 I96 S97 D98D90-S94 PolarHBondContact O-N 3.39Å; T91-S94 PolarHBondContact O-N 3.39Å; T91-S94 PolarHBondContact O-OG 3Å; S94-I96 PolarHBondContact O-N 2.83Å; S94-S97 WeakPolarHBondContact O-CB 3.3Å; S94-S97 PolarHBondContact O-N 2.96Å; S94-D98 PolarHBondContact O-N 3.13Å
95S51.1Low55Low73 Ų7391.7 Ų91.751%0.5154%0.536SS..Hα-helixtrans-68.7-33.3179.7-62.90000113.3T91 V92 A99T91-S95 WeakPolarHBondContact O-CB 3.1Å; T91-S95 PolarHBondContact O-N 2.64Å; T91-S95 PolarHBondContact O-OG 2.81Å; T91-S95 VanDerWaalsContact O-OG 3.13Å; V92-S95 PolarHBondContact O-N 2.93Å; S95-A99 WeakPolarHBondContact O-CB 3.46Å; S95-A99 PolarHBondContact O-N 3.05Å
96I51.8Low55.5Low65 Ų6592.8 Ų92.833%0.33355%0.546SS..Hα-helixtrans-72.6-40.5172.7-69.2172.8000110.5V92 S94 D98 A99 T100V92-I96 HydrophobicContact CG1-CD1 3.46Å; V92-I96 VanDerWaalsContact CG1-CD1 3.46Å; V92-I96 HydrophobicContact CG1-CG1 4.03Å; V92-I96 VanDerWaalsContact O-CB 3.29Å; V92-I96 WeakPolarHBondContact O-CB 3.3Å; V92-I96 WeakPolarHBondContact O-CG1 3.28Å; V92-I96 PolarHBondContact O-N 3.26Å; S94-I96 PolarHBondContact O-N 2.83Å; I96-D98 VanDerWaalsContact C-N 3.31Å; I96-D98 PolarHBondContact O-N 2.92Å; I96-A99 PolarHBondContact O-N 3.11Å; I96-T100 HydrophobicContact CG2-CG2 4.05Å; I96-T100 VanDerWaalsContact O-CB 3.28Å; I96-T100 WeakPolarHBondContact O-CB 3.39Å; I96-T100 VanDerWaalsContact O-CG2 3.3Å; I96-T100 WeakPolarHBondContact O-CG2 3.42Å; I96-T100 PolarHBondContact O-N 3.46Å; I96-T100 PolarHBondContact O-OG1 3.47Å
97S52.7Low55.8Low70 Ų7092.3 Ų92.349%0.4954%0.535SS..Hα-helixtrans-58.3-45.2175.1-179.90000111.2V93 S94 T100 A101V93-S97 VanDerWaalsContact O-CB 3.27Å; V93-S97 WeakPolarHBondContact O-CB 3.35Å; V93-S97 PolarHBondContact O-N 2.89Å; S94-S97 WeakPolarHBondContact O-CB 3.3Å; S94-S97 PolarHBondContact O-N 2.96Å; S97-T100 PolarHBondContact O-N 3.5Å; S97-T100 PolarHBondContact O-OG1 3.49Å; S97-A101 PolarHBondContact O-N 2.95Å; S97-A101 VanDerWaalsContact O-N 3.08Å
98D59.2Low56.1Low119 Ų11989.8 Ų89.864%0.63652%0.523SS*.Hα-helixtrans-71-41.7178.7-68.4-16.2000111.7S94 I96 T100 A101S94-D98 PolarHBondContact O-N 3.13Å; I96-D98 VanDerWaalsContact C-N 3.31Å; I96-D98 PolarHBondContact O-N 2.92Å; D98-T100 VanDerWaalsContact C-N 3.29Å; D98-T100 PolarHBondContact O-N 3.42Å; D98-A101 WeakPolarHBondContact O-CB 3.31Å; D98-A101 PolarHBondContact O-N 3.42Å
99A55.6Low57.3Low72 Ų7285.7 Ų85.760%0.59551%0.512SS*.Hα-helixtrans-69.3-24177.500000113.5S95 I96S95-A99 WeakPolarHBondContact O-CB 3.46Å; S95-A99 PolarHBondContact O-N 3.05Å; I96-A99 PolarHBondContact O-N 3.11Å
100T49.4Very low57.5Low58 Ų5886.5 Ų86.536%0.35651%0.514SS..Hα-helixtrans-95.7-6.6177.256.80000113.2I96 S97 D98 L103 R104I96-T100 HydrophobicContact CG2-CG2 4.05Å; I96-T100 VanDerWaalsContact O-CB 3.28Å; I96-T100 WeakPolarHBondContact O-CB 3.39Å; I96-T100 VanDerWaalsContact O-CG2 3.3Å; I96-T100 WeakPolarHBondContact O-CG2 3.42Å; I96-T100 PolarHBondContact O-N 3.46Å; I96-T100 PolarHBondContact O-OG1 3.47Å; S97-T100 PolarHBondContact O-N 3.5Å; S97-T100 PolarHBondContact O-OG1 3.49Å; D98-T100 VanDerWaalsContact C-N 3.29Å; D98-T100 PolarHBondContact O-N 3.42Å; T100-L103 PolarHBondContact O-N 2.99Å; T100-R104 VanDerWaalsContact O-CB 3.31Å; T100-R104 WeakPolarHBondContact O-CB 3.31Å; T100-R104 PolarHBondContact O-N 3.17Å
101A65.1Low57.9Low52 Ų5283.1 Ų83.143%0.4350%0.495SS..Hα-helixtrans-61.9-43.7176.400000111.8S97 D98 R104 A105S97-A101 PolarHBondContact O-N 2.95Å; S97-A101 VanDerWaalsContact O-N 3.08Å; D98-A101 WeakPolarHBondContact O-CB 3.31Å; D98-A101 PolarHBondContact O-N 3.42Å; A101-R104 PolarHBondContact O-N 3.11Å; A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.26Å
102E68.9Low58.9Low164 Ų16483.9 Ų83.977%0.76649%0.492SS*.Hα-helixtrans-65.5-41.6175.1-73-177.2171.100111.9R104 A105 S106E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 3.41Å; E102-A105 PolarHBondContact O-N 3.06Å; E102-S106 WeakPolarHBondContact O-CB 3.44Å; E102-S106 PolarHBondContact O-N 3.43Å
103L62.5Low59.8Low101 Ų10184.5 Ų84.553%0.52950%0.502SS..Hα-helixtrans-62.4-41.7175.4-177.366000111.2T100 S106 I107T100-L103 PolarHBondContact O-N 2.99Å; L103-S106 PolarHBondContact O-N 3Å; L103-I107 HydrophobicContact CD1-CD1 4.22Å; L103-I107 HydrophobicContact CD1-CG1 4.5Å; L103-I107 HydrophobicContact CG-CD1 3.88Å; L103-I107 WeakPolarHBondContact O-CB 3.43Å; L103-I107 WeakPolarHBondContact O-CG1 3.35Å; L103-I107 PolarHBondContact O-N 3.44Å
104R56.9Low60.5Low192 Ų19284.6 Ų84.673%0.72550%0.498SS*.Hα-helixtrans-66.7-39.8177.9-167.2178-167.8158.83.6111.8T100 A101 E102 A108T100-R104 VanDerWaalsContact O-CB 3.31Å; T100-R104 WeakPolarHBondContact O-CB 3.31Å; T100-R104 PolarHBondContact O-N 3.17Å; A101-R104 PolarHBondContact O-N 3.11Å; E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 3.41Å; R104-A108 WeakPolarHBondContact O-CB 3.33Å; R104-A108 PolarHBondContact O-N 3.43Å
105A69.9Low61Low63 Ų6388.9 Ų88.952%0.52151%0.505SS..Hα-helixtrans-65.2-42.7174.600000111.4A101 E102 A108 A109A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.26Å; E102-A105 PolarHBondContact O-N 3.06Å; A105-A108 PolarHBondContact O-N 2.98Å; A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 3.46Å
106S61.3Low62Low61 Ų6188.7 Ų88.743%0.42751%0.509SS..Hα-helixtrans-61.2-48.7175-174.90000111.6E102 L103 A108 A109 D110E102-S106 WeakPolarHBondContact O-CB 3.44Å; E102-S106 PolarHBondContact O-N 3.43Å; L103-S106 PolarHBondContact O-N 3Å; S106-A108 VanDerWaalsContact C-N 3.32Å; S106-A108 PolarHBondContact O-N 3.48Å; S106-A109 PolarHBondContact O-N 2.89Å; S106-D110 WeakPolarHBondContact O-CB 3.2Å; S106-D110 PolarHBondContact O-N 2.94Å
107I57.5Low63Low83 Ų8391.7 Ų91.743%0.42652%0.521SS..Hα-helixtrans-60.6-41.6176.4-70166.9000111.3L103 D110 I111L103-I107 HydrophobicContact CD1-CD1 4.22Å; L103-I107 HydrophobicContact CD1-CG1 4.5Å; L103-I107 HydrophobicContact CG-CD1 3.88Å; L103-I107 WeakPolarHBondContact O-CB 3.43Å; L103-I107 WeakPolarHBondContact O-CG1 3.35Å; L103-I107 PolarHBondContact O-N 3.44Å; I107-D110 PolarHBondContact O-N 3.01Å; I107-I111 HydrophobicContact CG2-CD1 3.76Å; I107-I111 HydrophobicContact CG2-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CB 3.4Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 3.26Å
108A61.3Low63.5Low57 Ų5792.9 Ų92.947%0.47152%0.521SS..Hα-helixtrans-64.2-40.8177.500000112R104 A105 S106 I111 E112R104-A108 WeakPolarHBondContact O-CB 3.33Å; R104-A108 PolarHBondContact O-N 3.43Å; A105-A108 PolarHBondContact O-N 2.98Å; S106-A108 VanDerWaalsContact C-N 3.32Å; S106-A108 PolarHBondContact O-N 3.48Å; A108-I111 PolarHBondContact O-N 3.43Å; A108-E112 PolarHBondContact O-N 3.3Å; A108-E112 VanDerWaalsContact O-N 3.07Å
109A72.4Confident64.1Low59 Ų5991 Ų9149%0.48851%0.509SS..Hα-helixtrans-65.6-43.517600000111.8A105 S106 I111 E112 A113A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 3.46Å; S106-A109 PolarHBondContact O-N 2.89Å; A109-I111 VanDerWaalsContact C-N 3.34Å; A109-I111 PolarHBondContact O-N 3.32Å; A109-E112 PolarHBondContact O-N 3.43Å; A109-A113 WeakPolarHBondContact O-CB 3.36Å; A109-A113 PolarHBondContact O-N 3.36Å
110D61.4Low65.1Low95 Ų9591 Ų9151%0.50850%0.502SS..Hα-helixtrans-64.3-38.5177.1-75.5-12000111.8S106 I107 A113 L114S106-D110 WeakPolarHBondContact O-CB 3.2Å; S106-D110 PolarHBondContact O-N 2.94Å; I107-D110 PolarHBondContact O-N 3.01Å; D110-A113 PolarHBondContact O-N 3.36Å; D110-L114 VanDerWaalsContact O-CB 3.31Å; D110-L114 WeakPolarHBondContact O-CB 3.26Å; D110-L114 WeakPolarHBondContact O-CG 3.49Å; D110-L114 PolarHBondContact O-N 2.95Å
111I57.3Low66Low71 Ų7193.8 Ų93.836%0.36451%0.512SS..Hα-helixtrans-62.8-44.5174.1-73.5168.5000110.7I107 A108 A109 L114 R115I107-I111 HydrophobicContact CG2-CD1 3.76Å; I107-I111 HydrophobicContact CG2-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CB 3.4Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 3.26Å; A108-I111 PolarHBondContact O-N 3.43Å; A109-I111 VanDerWaalsContact C-N 3.34Å; A109-I111 PolarHBondContact O-N 3.32Å; I111-L114 PolarHBondContact O-N 3.47Å; I111-R115 VanDerWaalsContact O-CB 3.28Å; I111-R115 WeakPolarHBondContact O-CB 3.44Å; I111-R115 PolarHBondContact O-N 3Å
112E69.4Low65.9Low109 Ų10998.6 Ų98.651%0.50952%0.519SS..Hα-helixtrans-70-36.5-179.6-157.163-15500111.5A108 A109 R115 A116A108-E112 PolarHBondContact O-N 3.3Å; A108-E112 VanDerWaalsContact O-N 3.07Å; A109-E112 PolarHBondContact O-N 3.43Å; E112-R115 PolarHBondContact O-N 2.89Å; E112-R115 IonicContact OE1-NH1 3.43Å; E112-A116 WeakPolarHBondContact O-CB 3.4Å; E112-A116 PolarHBondContact O-N 2.88Å
113A71.9Confident66.1Low56 Ų5693.6 Ų93.646%0.46351%0.506SS..Hα-helixtrans-63.4-47.1173.200000111.7A109 D110 R115 A116 E117A109-A113 WeakPolarHBondContact O-CB 3.36Å; A109-A113 PolarHBondContact O-N 3.36Å; D110-A113 PolarHBondContact O-N 3.36Å; A113-R115 VanDerWaalsContact C-N 3.28Å; A113-R115 PolarHBondContact O-N 3.33Å; A113-A116 PolarHBondContact O-N 3.29Å; A113-E117 WeakPolarHBondContact O-CB 3.41Å; A113-E117 PolarHBondContact O-N 2.92Å
114L62.5Low66.6Low96 Ų9695.8 Ų95.850%0.50351%0.511SS..Hα-helixtrans-60.3-40173.9-81.6166.8000111.5D110 I111 E117 L118D110-L114 VanDerWaalsContact O-CB 3.31Å; D110-L114 WeakPolarHBondContact O-CB 3.26Å; D110-L114 WeakPolarHBondContact O-CG 3.49Å; D110-L114 PolarHBondContact O-N 2.95Å; I111-L114 PolarHBondContact O-N 3.47Å; L114-E117 PolarHBondContact O-N 3.17Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CD1 3.5Å; L114-L118 WeakPolarHBondContact O-CG 3.05Å; L114-L118 PolarHBondContact O-N 3Å
115R62.4Low67Low150 Ų15090 Ų9057%0.56649%0.494SS*.Hα-helixtrans-64.4-43.8177-167.1179.1-176-151.32.2111.2I111 E112 A113 E117 L118 E119I111-R115 VanDerWaalsContact O-CB 3.28Å; I111-R115 WeakPolarHBondContact O-CB 3.44Å; I111-R115 PolarHBondContact O-N 3Å; E112-R115 PolarHBondContact O-N 2.89Å; E112-R115 IonicContact OE1-NH1 3.43Å; A113-R115 VanDerWaalsContact C-N 3.28Å; A113-R115 PolarHBondContact O-N 3.33Å; R115-E117 VanDerWaalsContact C-N 3.33Å; R115-E117 PolarHBondContact O-N 3.41Å; R115-L118 PolarHBondContact O-N 3.24Å; R115-E119 WeakPolarHBondContact O-CB 3.44Å; R115-E119 PolarHBondContact O-N 3.46Å
116A73.4Confident66.8Low70 Ų7095.9 Ų95.958%0.57950%0.503SS*.Hα-helixtrans-63.7-36.9176.400000112.4E112 A113 P120E112-A116 WeakPolarHBondContact O-CB 3.4Å; E112-A116 PolarHBondContact O-N 2.88Å; A113-A116 PolarHBondContact O-N 3.29Å; A116-P120 WeakPolarHBondContact O-CD 3.37Å
117E71.2Confident67.5Low128 Ų12897.9 Ų97.960%0.59851%0.505SS*.Hα-helixtrans-76.3-34.7177.8-168.8175.5-174.300112.9A113 L114 R115 P120A113-E117 WeakPolarHBondContact O-CB 3.41Å; A113-E117 PolarHBondContact O-N 2.92Å; L114-E117 PolarHBondContact O-N 3.17Å; R115-E117 VanDerWaalsContact C-N 3.33Å; R115-E117 PolarHBondContact O-N 3.41Å; E117-P120 VanDerWaalsContact O-CD 3.3Å; E117-P120 WeakPolarHBondContact O-CD 3.18Å; E117-P120 VanDerWaalsContact O-CG 3.29Å; E117-P120 WeakPolarHBondContact O-CG 3.48Å
118L64.2Low68.5Low94 Ų9497.4 Ų97.449%0.49251%0.506SS..Hα-helixtrans-79.4-26.6-179.8-75170.4000113.5L114 R115 Q121 R122L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CD1 3.5Å; L114-L118 WeakPolarHBondContact O-CG 3.05Å; L114-L118 PolarHBondContact O-N 3Å; R115-L118 PolarHBondContact O-N 3.24Å; L118-Q121 PolarHBondContact O-N 2.86Å; L118-Q121 VanDerWaalsContact O-N 3.17Å; L118-R122 WeakPolarHBondContact O-CB 3.31Å; L118-R122 PolarHBondContact O-N 2.87Å
119E71.9Confident68.9Low81 Ų8199.3 Ų99.338%0.37951%0.507SS..Hα-helixtrans-54.2-49.5178.7-164.664.4-157.800113.3R115 Q121 R122 A123R115-E119 WeakPolarHBondContact O-CB 3.44Å; R115-E119 PolarHBondContact O-N 3.46Å; E119-Q121 PolarHBondContact O-N 3.27Å; E119-R122 VanDerWaalsContact CD-CZ 3.5Å; E119-R122 VanDerWaalsContact CD-NH2 3.31Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-R122 IonicContact OE1-CZ 2.7Å; E119-R122 IonicContact OE1-NE 2.86Å; E119-R122 IonicContact OE1-NH1 3.51Å; E119-R122 IonicContact OE1-NH2 3.63Å; E119-R122 PolarHBondContact OE1-NH2 2.86Å; E119-R122 IonicContact OE2-CZ 2.7Å; E119-R122 IonicContact OE2-NE 3.69Å; E119-R122 IonicContact OE2-NH1 3.8Å; E119-R122 PolarHBondContact OE2-NH1 3.26Å; E119-R122 IonicContact OE2-NH2 2.59Å; E119-R122 PolarHBondContact OE2-NH2 3.25Å; E119-A123 PolarHBondContact O-N 3.47Å; E119-A123 VanDerWaalsContact O-N 3.1Å
120P76.9Confident68.7Low70 Ų70102 Ų10246%0.45551%0.51SS..Hα-helixtrans-68.4-31.5175.826.7-35.4000113.2A116 E117 A123 K124A116-P120 WeakPolarHBondContact O-CD 3.37Å; E117-P120 VanDerWaalsContact O-CD 3.3Å; E117-P120 WeakPolarHBondContact O-CD 3.18Å; E117-P120 VanDerWaalsContact O-CG 3.29Å; E117-P120 WeakPolarHBondContact O-CG 3.48Å; P120-A123 PolarHBondContact O-N 3.48Å; P120-K124 WeakPolarHBondContact O-CG 3.29Å; P120-K124 PolarHBondContact O-N 2.85Å; P120-K124 VanDerWaalsContact O-N 3.1Å
121Q67.4Low69.6Low117 Ų117102.7 Ų102.755%0.54751%0.508SS..Hα-helixtrans-69.3-37.2175-64.5-161.76.600111.7L118 E119 A123 K124 L125L118-Q121 PolarHBondContact O-N 2.86Å; L118-Q121 VanDerWaalsContact O-N 3.17Å; E119-Q121 PolarHBondContact O-N 3.27Å; Q121-A123 VanDerWaalsContact C-N 3.34Å; Q121-K124 PolarHBondContact O-N 3.38Å; Q121-L125 WeakPolarHBondContact O-CB 3.25Å; Q121-L125 PolarHBondContact O-N 3.22Å
122R63.4Low70.4Confident153 Ų153103.5 Ų103.558%0.57751%0.51SS*.Hα-helixtrans-62.8-42174.3-168.7-17879-156.99.3111.3L118 E119 L125 R126L118-R122 WeakPolarHBondContact O-CB 3.31Å; L118-R122 PolarHBondContact O-N 2.87Å; E119-R122 VanDerWaalsContact CD-CZ 3.5Å; E119-R122 VanDerWaalsContact CD-NH2 3.31Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-R122 IonicContact OE1-CZ 2.7Å; E119-R122 IonicContact OE1-NE 2.86Å; E119-R122 IonicContact OE1-NH1 3.51Å; E119-R122 IonicContact OE1-NH2 3.63Å; E119-R122 PolarHBondContact OE1-NH2 2.86Å; E119-R122 IonicContact OE2-CZ 2.7Å; E119-R122 IonicContact OE2-NE 3.69Å; E119-R122 IonicContact OE2-NH1 3.8Å; E119-R122 PolarHBondContact OE2-NH1 3.26Å; E119-R122 IonicContact OE2-NH2 2.59Å; E119-R122 PolarHBondContact OE2-NH2 3.25Å; R122-L125 PolarHBondContact O-N 3.13Å; R122-R126 WeakPolarHBondContact O-CB 3.45Å; R122-R126 PolarHBondContact O-N 3.41Å
123A73Confident70.4Confident60 Ų60104 Ų10450%0.49652%0.516SS..Hα-helixtrans-61.7-47.1175.800000111.7E119 P120 Q121 L125 R126 E127E119-A123 PolarHBondContact O-N 3.47Å; E119-A123 VanDerWaalsContact O-N 3.1Å; P120-A123 PolarHBondContact O-N 3.48Å; Q121-A123 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.25Å; A123-R126 WeakPolarHBondContact O-CB 3.35Å; A123-R126 PolarHBondContact O-N 3Å; A123-E127 PolarHBondContact O-N 3.49Å
124K72.2Confident70.7Confident147 Ų147106.9 Ų106.964%0.63952%0.52SS*.Hα-helixtrans-61.2-42.4175.6-72.6179-179.3179.80112.6P120 Q121 R126 E127 V128P120-K124 WeakPolarHBondContact O-CG 3.29Å; P120-K124 PolarHBondContact O-N 2.85Å; P120-K124 VanDerWaalsContact O-N 3.1Å; Q121-K124 PolarHBondContact O-N 3.38Å; K124-R126 VanDerWaalsContact C-N 3.3Å; K124-R126 PolarHBondContact O-N 3.33Å; K124-E127 PolarHBondContact O-N 3.2Å; K124-V128 WeakPolarHBondContact O-CG2 3.2Å; K124-V128 PolarHBondContact O-N 3.39Å
125L65.6Low71.4Confident69 Ų69107.3 Ų107.336%0.36152%0.519SS..Hα-helixtrans-61.8-41.8177.4-162.994.4000111.2I1 Q121 R122 A123 V128 I129I1-L125 HydrophobicContact CD1-CD1 3.66Å; I1-L125 HydrophobicContact CG2-CD2 4.22Å; Q121-L125 WeakPolarHBondContact O-CB 3.25Å; Q121-L125 PolarHBondContact O-N 3.22Å; R122-L125 PolarHBondContact O-N 3.13Å; A123-L125 PolarHBondContact O-N 3.25Å; L125-V128 PolarHBondContact O-N 3.3Å; L125-I129 HydrophobicContact CD2-CD1 3.83Å; L125-I129 HydrophobicContact CG-CD1 3.99Å; L125-I129 WeakPolarHBondContact O-CB 3.14Å; L125-I129 VanDerWaalsContact O-CG1 3.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.26Å; L125-I129 PolarHBondContact O-N 2.94Å
126R65.8Low71.8Confident188 Ų188107.7 Ų107.771%0.70952%0.522SS*.Hα-helixtrans-62.3-44.5178-172.1172.1179.3133.1-0.5111.4R122 A123 K124 V128 I129 E130R122-R126 WeakPolarHBondContact O-CB 3.45Å; R122-R126 PolarHBondContact O-N 3.41Å; A123-R126 WeakPolarHBondContact O-CB 3.35Å; A123-R126 PolarHBondContact O-N 3Å; K124-R126 VanDerWaalsContact C-N 3.3Å; K124-R126 PolarHBondContact O-N 3.33Å; R126-V128 PolarHBondContact O-N 3.08Å; R126-I129 PolarHBondContact O-N 2.95Å; R126-E130 WeakPolarHBondContact O-CB 3.37Å; R126-E130 PolarHBondContact O-N 3.33Å
127E76.8Confident71.8Confident102 Ų102112.6 Ų112.648%0.47753%0.525SS..Hα-helixtrans-61.2-43.3176.7-167-166.7151.100112.1A123 K124 E130 K131A123-E127 PolarHBondContact O-N 3.49Å; K124-E127 PolarHBondContact O-N 3.2Å; E127-E130 PolarHBondContact O-N 3.35Å; E127-K131 WeakPolarHBondContact O-CG 3.26Å; E127-K131 PolarHBondContact O-N 3.27Å; E127-K131 IonicContact OE1-NZ 2.73Å; E127-K131 PolarHBondContact OE1-NZ 3.45Å
128V78.4Confident72.3Confident74 Ų74111 Ų11145%0.44852%0.524SS..Hα-helixtrans-65.5-42.3177.7171.40000111.4K124 L125 R126 E130 K131 H132K124-V128 WeakPolarHBondContact O-CG2 3.2Å; K124-V128 PolarHBondContact O-N 3.39Å; L125-V128 PolarHBondContact O-N 3.3Å; R126-V128 PolarHBondContact O-N 3.08Å; V128-E130 VanDerWaalsContact C-N 3.35Å; V128-K131 PolarHBondContact O-N 3.46Å; V128-H132 PolarHBondContact O-CD2 2.9Å; V128-H132 PolarHBondContact O-N 2.94Å
129I68.5Low73Confident97 Ų97112.8 Ų112.850%0.49753%0.53SS..Hα-helixtrans-63-43.8176.6-71.1167.2000110.7L125 R126 H132 L133L125-I129 HydrophobicContact CD2-CD1 3.83Å; L125-I129 HydrophobicContact CG-CD1 3.99Å; L125-I129 WeakPolarHBondContact O-CB 3.14Å; L125-I129 VanDerWaalsContact O-CG1 3.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.26Å; L125-I129 PolarHBondContact O-N 2.94Å; R126-I129 PolarHBondContact O-N 2.95Å; I129-H132 PolarHBondContact O-N 3.42Å; I129-L133 WeakPolarHBondContact O-CB 3.47Å; I129-L133 PolarHBondContact O-N 2.99Å
130E69.7Low72.9Confident116 Ų116113.6 Ų113.654%0.54254%0.536SS..Hα-helixtrans-62.9-45.8179.9-170.5158.6-156.200111.3R126 E127 V128 H132 L133 E134R126-E130 WeakPolarHBondContact O-CB 3.37Å; R126-E130 PolarHBondContact O-N 3.33Å; E127-E130 PolarHBondContact O-N 3.35Å; V128-E130 VanDerWaalsContact C-N 3.35Å; E130-H132 PolarHBondContact O-N 3Å; E130-L133 PolarHBondContact O-N 2.92Å; E130-E134 PolarHBondContact O-N 2.98Å
131K78.6Confident73Confident108 Ų108113.9 Ų113.947%0.4753%0.531SS..Hα-helixtrans-57.5-48.8173.4-79.2174171.6163.40112.6E127 V128 L133 E134 E135E127-K131 WeakPolarHBondContact O-CG 3.26Å; E127-K131 PolarHBondContact O-N 3.27Å; E127-K131 IonicContact OE1-NZ 2.73Å; E127-K131 PolarHBondContact OE1-NZ 3.45Å; V128-K131 PolarHBondContact O-N 3.46Å; K131-L133 VanDerWaalsContact C-N 3.31Å; K131-L133 PolarHBondContact O-N 2.89Å; K131-E134 PolarHBondContact O-N 3.44Å; K131-E135 WeakPolarHBondContact O-CG 3.39Å; K131-E135 PolarHBondContact O-N 3.39Å
132H74.4Confident73.9Confident88 Ų88111.7 Ų111.741%0.40753%0.527SS..Hα-helixtrans-64.7-36.5178.5-75-45.9000112.4V128 I129 E130 E134 E135 Y136V128-H132 PolarHBondContact O-CD2 2.9Å; V128-H132 PolarHBondContact O-N 2.94Å; I129-H132 PolarHBondContact O-N 3.42Å; E130-H132 PolarHBondContact O-N 3Å; H132-E134 VanDerWaalsContact C-N 3.34Å; H132-E135 IonicContact CE1-OE2 2.65Å; H132-E135 IonicContact CG-OE2 3.19Å; H132-E135 IonicContact ND1-OE2 3.27Å; H132-E135 PolarHBondContact ND1-OE2 3.41Å; H132-E135 PolarHBondContact O-N 3.44Å; H132-Y136 HydrophobicContact CB-CD2 4.45Å; H132-Y136 HydrophobicContact CB-CE2 4.22Å; H132-Y136 WeakPolarHBondContact O-CB 3.35Å; H132-Y136 WeakPolarHBondContact O-CD2 3.39Å; H132-Y136 PolarHBondContact O-N 2.91Å
133L70.5Confident74.4Confident119 Ų119111.8 Ų111.862%0.62353%0.529SS*.Hα-helixtrans-65.8-38.4176.8-161.6118.8000111.7I129 E130 K131 R137I129-L133 WeakPolarHBondContact O-CB 3.47Å; I129-L133 PolarHBondContact O-N 2.99Å; E130-L133 PolarHBondContact O-N 2.92Å; K131-L133 VanDerWaalsContact C-N 3.31Å; K131-L133 PolarHBondContact O-N 2.89Å; L133-R137 VanDerWaalsContact O-CB 3.28Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 PolarHBondContact O-N 3.27Å
134E78.6Confident74.4Confident117 Ų117112.6 Ų112.655%0.54753%0.527SS..Hα-helixtrans-66.2-41.5172.2-76-176.4158.400112.5E130 K131 H132 R137 T138E130-E134 PolarHBondContact O-N 2.98Å; K131-E134 PolarHBondContact O-N 3.44Å; H132-E134 VanDerWaalsContact C-N 3.34Å; E134-R137 PolarHBondContact O-N 3.42Å; E134-T138 WeakPolarHBondContact O-CB 3.45Å; E134-T138 PolarHBondContact O-N 2.92Å; E134-T138 PolarHBondContact O-OG1 2.93Å
135E75.8Confident74.8Confident105 Ų105113.1 Ų113.149%0.49153%0.525SS..Hα-helixtrans-61.2-47.8174.8-74.3171.7170.300111.3K131 H132 R137 T138 H139K131-E135 WeakPolarHBondContact O-CG 3.39Å; K131-E135 PolarHBondContact O-N 3.39Å; H132-E135 IonicContact CE1-OE2 2.65Å; H132-E135 IonicContact CG-OE2 3.19Å; H132-E135 IonicContact ND1-OE2 3.27Å; H132-E135 PolarHBondContact ND1-OE2 3.41Å; H132-E135 PolarHBondContact O-N 3.44Å; E135-R137 PolarHBondContact O-N 2.93Å; E135-T138 PolarHBondContact O-N 3.24Å; E135-H139 PolarHBondContact O-N 3.38Å; E135-H139 PolarHBondContact O-ND1 2.87Å
136Y71.7Confident75.7Confident158 Ų158115.9 Ų115.962%0.6254%0.537SS*.Hα-helixtrans-60.3-44.9174.9-75.5-54.1000111.5H132 T138 H139 L140H132-Y136 HydrophobicContact CB-CD2 4.45Å; H132-Y136 HydrophobicContact CB-CE2 4.22Å; H132-Y136 WeakPolarHBondContact O-CB 3.35Å; H132-Y136 WeakPolarHBondContact O-CD2 3.39Å; H132-Y136 PolarHBondContact O-N 2.91Å; Y136-T138 VanDerWaalsContact C-N 3.33Å; Y136-T138 PolarHBondContact O-N 3.41Å; Y136-H139 PolarHBondContact O-N 2.86Å; Y136-L140 VanDerWaalsContact O-CB 3.23Å; Y136-L140 WeakPolarHBondContact O-CB 3.47Å; Y136-L140 VanDerWaalsContact O-CG 3.23Å; Y136-L140 WeakPolarHBondContact O-CG 3.43Å; Y136-L140 PolarHBondContact O-N 3.06Å
137R72.8Confident76.3Confident174 Ų174114.3 Ų114.366%0.65753%0.532SS*.Hα-helixtrans-58.6-47.9177-177-179.6178120.21.8110.8L133 E134 E135 H139 L140 E141L133-R137 VanDerWaalsContact O-CB 3.28Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 PolarHBondContact O-N 3.27Å; E134-R137 PolarHBondContact O-N 3.42Å; E135-R137 PolarHBondContact O-N 2.93Å; R137-H139 VanDerWaalsContact C-N 3.31Å; R137-H139 PolarHBondContact O-N 2.7Å; R137-L140 PolarHBondContact O-N 3.01Å; R137-E141 WeakPolarHBondContact O-CB 3.37Å; R137-E141 PolarHBondContact O-N 2.94Å
138T82.1Confident76.3Confident93 Ų93114.7 Ų114.757%0.57153%0.534SS*.Hα-helixtrans-62.3-38.8-179.8-55.70000111.8E134 E135 Y136 P142E134-T138 WeakPolarHBondContact O-CB 3.45Å; E134-T138 PolarHBondContact O-N 2.92Å; E134-T138 PolarHBondContact O-OG1 2.93Å; E135-T138 PolarHBondContact O-N 3.24Å; Y136-T138 VanDerWaalsContact C-N 3.33Å; Y136-T138 PolarHBondContact O-N 3.41Å; T138-P142 WeakPolarHBondContact O-CD 3.35Å
139H78.1Confident76.8Confident132 Ų132114.1 Ų114.161%0.61154%0.536SS*.Hα-helixtrans-75.4-37.1178.4-77.560.5000112.6E135 Y136 R137 P142 Y143E135-H139 PolarHBondContact O-N 3.38Å; E135-H139 PolarHBondContact O-ND1 2.87Å; Y136-H139 PolarHBondContact O-N 2.86Å; R137-H139 VanDerWaalsContact C-N 3.31Å; R137-H139 PolarHBondContact O-N 2.7Å; H139-P142 VanDerWaalsContact O-CD 3.31Å; H139-P142 WeakPolarHBondContact O-CD 3.33Å; H139-P142 VanDerWaalsContact O-CG 3.26Å; H139-P142 WeakPolarHBondContact O-CG 3.35Å; H139-Y143 WeakPolarHBondContact O-CD2 3.26Å; H139-Y143 WeakPolarHBondContact O-CE2 3.46Å
140L70.6Confident77.6Confident99 Ų99115.5 Ų115.552%0.51854%0.539SS..Hα-helixtrans-82.2-28.7-176.8-69.9173.7000113.3Y136 R137 Y143 V144Y136-L140 VanDerWaalsContact O-CB 3.23Å; Y136-L140 WeakPolarHBondContact O-CB 3.47Å; Y136-L140 VanDerWaalsContact O-CG 3.23Å; Y136-L140 WeakPolarHBondContact O-CG 3.43Å; Y136-L140 PolarHBondContact O-N 3.06Å; R137-L140 PolarHBondContact O-N 3.01Å; L140-Y143 PolarHBondContact O-N 3.34Å; L140-Y143 VanDerWaalsContact O-N 3.14Å; L140-V144 WeakPolarHBondContact O-CG2 3.2Å; L140-V144 PolarHBondContact O-N 3.48Å
141E78.6Confident78.2Confident75 Ų75114.3 Ų114.335%0.3553%0.533SS..Hα-helixtrans-52.3-46.8178.8-175.6161.5-169.200114.2R137 Y143 V144 R145R137-E141 WeakPolarHBondContact O-CB 3.37Å; R137-E141 PolarHBondContact O-N 2.94Å; E141-Y143 PolarHBondContact O-N 2.85Å; E141-V144 PolarHBondContact O-N 2.84Å; E141-R145 WeakPolarHBondContact O-CG 3.25Å; E141-R145 PolarHBondContact O-N 3.01Å; E141-R145 IonicContact OE1-CZ 3.6Å; E141-R145 IonicContact OE1-NE 3.1Å; E141-R145 IonicContact OE1-NH2 3.95Å; E141-R145 PolarHBondContact OE1-NH2 2.93Å
142P85.8Confident78.4Confident71 Ų71114.2 Ų114.246%0.46154%0.538SS..Hα-helixtrans-63.9-39.717624.2-34.3000112.8T138 H139 V144 R145 E146T138-P142 WeakPolarHBondContact O-CD 3.35Å; H139-P142 VanDerWaalsContact O-CD 3.31Å; H139-P142 WeakPolarHBondContact O-CD 3.33Å; H139-P142 VanDerWaalsContact O-CG 3.26Å; H139-P142 WeakPolarHBondContact O-CG 3.35Å; P142-V144 PolarHBondContact O-N 3.49Å; P142-R145 PolarHBondContact O-N 2.83Å; P142-E146 WeakPolarHBondContact O-CB 3.28Å; P142-E146 PolarHBondContact O-N 3.48Å
143Y74.3Confident79.1Confident155 Ų155112.8 Ų112.861%0.60854%0.541SS*.Hα-helixtrans-65.3-40.3178.3-67.3-75.9000112.4H139 L140 E141 E146 Y147H139-Y143 WeakPolarHBondContact O-CD2 3.26Å; H139-Y143 WeakPolarHBondContact O-CE2 3.46Å; L140-Y143 PolarHBondContact O-N 3.34Å; L140-Y143 VanDerWaalsContact O-N 3.14Å; E141-Y143 PolarHBondContact O-N 2.85Å; Y143-E146 PolarHBondContact O-N 3.49Å; Y143-Y147 VanDerWaalsContact O-CB 3.23Å; Y143-Y147 WeakPolarHBondContact O-CB 3.34Å; Y143-Y147 PolarHBondContact O-N 2.92Å
144V72.8Confident79.9Confident77 Ų77112.4 Ų112.447%0.46754%0.536SS..Hα-helixtrans-64.4-43.2176.4173.80000110.4L140 E141 P142 Y147 Q148L140-V144 WeakPolarHBondContact O-CG2 3.2Å; L140-V144 PolarHBondContact O-N 3.48Å; E141-V144 PolarHBondContact O-N 2.84Å; P142-V144 PolarHBondContact O-N 3.49Å; V144-Y147 PolarHBondContact O-N 3.49Å; V144-Q148 WeakPolarHBondContact O-CB 3.42Å; V144-Q148 VanDerWaalsContact O-CG 3.32Å; V144-Q148 WeakPolarHBondContact O-CG 3.39Å; V144-Q148 PolarHBondContact O-N 2.81Å
145R81.2Confident80Confident158 Ų158112.3 Ų112.360%0.59654%0.537SS*.Hα-helixtrans-65.3-43.3177.1-72-179-175.3-160.84.7112.1E141 P142 Q148 A149E141-R145 WeakPolarHBondContact O-CG 3.25Å; E141-R145 PolarHBondContact O-N 3.01Å; E141-R145 IonicContact OE1-CZ 3.6Å; E141-R145 IonicContact OE1-NE 3.1Å; E141-R145 IonicContact OE1-NH2 3.95Å; E141-R145 PolarHBondContact OE1-NH2 2.93Å; P142-R145 PolarHBondContact O-N 2.83Å; R145-Q148 PolarHBondContact O-N 3.39Å; R145-A149 WeakPolarHBondContact O-CB 3.39Å; R145-A149 PolarHBondContact O-N 3.37Å
146E84.8Confident80.6Confident128 Ų128114 Ų11460%0.59855%0.545SS*.Hα-helixtrans-63.6-44.8177.1-173.3-177.2172.900111.2P142 Y143 A149 K150P142-E146 WeakPolarHBondContact O-CB 3.28Å; P142-E146 PolarHBondContact O-N 3.48Å; Y143-E146 PolarHBondContact O-N 3.49Å; E146-A149 PolarHBondContact O-N 2.91Å; E146-K150 WeakPolarHBondContact O-CB 3.3Å; E146-K150 PolarHBondContact O-N 3.48Å
147Y79Confident81.4Confident154 Ų154108.8 Ų108.860%0.60453%0.534SS*.Hα-helixtrans-61.4-45.7177.2-175.1-95.9000111.9Y143 V144 K150 Q151Y143-Y147 VanDerWaalsContact O-CB 3.23Å; Y143-Y147 WeakPolarHBondContact O-CB 3.34Å; Y143-Y147 PolarHBondContact O-N 2.92Å; V144-Y147 PolarHBondContact O-N 3.49Å; Y147-K150 PolarHBondContact O-N 2.71Å; Y147-Q151 VanDerWaalsContact CE1-OE1 3.28Å; Y147-Q151 WeakPolarHBondContact O-CB 2.99Å; Y147-Q151 PolarHBondContact O-N 3.48Å
148Q75.9Confident82Confident111 Ų111104.6 Ų104.652%0.51953%0.525SS..Hα-helixtrans-61.4-44.3175.3-76.2177.8-0.300112.1V144 R145 Q151 N152V144-Q148 WeakPolarHBondContact O-CB 3.42Å; V144-Q148 VanDerWaalsContact O-CG 3.32Å; V144-Q148 WeakPolarHBondContact O-CG 3.39Å; V144-Q148 PolarHBondContact O-N 2.81Å; R145-Q148 PolarHBondContact O-N 3.39Å; Q148-Q151 PolarHBondContact O-N 2.81Å; Q148-N152 WeakPolarHBondContact O-CB 3.38Å; Q148-N152 PolarHBondContact O-N 3.36Å
149A88.3Confident81.9Confident61 Ų61108.8 Ų108.850%0.50453%0.53SS..Hα-helixtrans-62.3-43.9177.600000111.6R145 E146 N152 A153R145-A149 WeakPolarHBondContact O-CB 3.39Å; R145-A149 PolarHBondContact O-N 3.37Å; E146-A149 PolarHBondContact O-N 2.91Å; A149-N152 PolarHBondContact O-N 2.94Å; A149-A153 PolarHBondContact O-N 2.96Å
150K86.5Confident82.4Confident126 Ų126105.7 Ų105.755%0.54853%0.527SS..Hα-helixtrans-63.8-45.1177.6-172.1179.6179.3-174.80111.8E146 Y147 N152 A153 E154E146-K150 WeakPolarHBondContact O-CB 3.3Å; E146-K150 PolarHBondContact O-N 3.48Å; Y147-K150 PolarHBondContact O-N 2.71Å; K150-N152 VanDerWaalsContact C-N 3.34Å; K150-N152 PolarHBondContact O-N 2.71Å; K150-A153 PolarHBondContact O-N 3.09Å; K150-E154 WeakPolarHBondContact CE-OE1 3.15Å; K150-E154 WeakPolarHBondContact O-CG 3.47Å; K150-E154 PolarHBondContact O-N 3.35Å
151Q81.1Confident83Confident92 Ų92108.1 Ų108.143%0.4353%0.533SS..Hα-helixtrans-64.4-39.4179.1-171.8168.15.300111.9Y147 Q148 E154 M155Y147-Q151 VanDerWaalsContact CE1-OE1 3.28Å; Y147-Q151 WeakPolarHBondContact O-CB 2.99Å; Y147-Q151 PolarHBondContact O-N 3.48Å; Q148-Q151 PolarHBondContact O-N 2.81Å; Q151-E154 PolarHBondContact O-N 2.85Å; Q151-M155 WeakPolarHBondContact O-CB 3.27Å; Q151-M155 VanDerWaalsContact O-CG 3.3Å; Q151-M155 WeakPolarHBondContact O-CG 3.18Å; Q151-M155 PolarHBondContact O-N 2.9Å
152N83.8Confident83Confident106 Ų106109.2 Ų109.257%0.56754%0.54SS*.Hα-helixtrans-62.3-46.9173.4-75.8-10.6000111.5Q148 A149 K150 E154 M155 E156Q148-N152 WeakPolarHBondContact O-CB 3.38Å; Q148-N152 PolarHBondContact O-N 3.36Å; A149-N152 PolarHBondContact O-N 2.94Å; K150-N152 VanDerWaalsContact C-N 3.34Å; K150-N152 PolarHBondContact O-N 2.71Å; N152-E154 PolarHBondContact O-N 3.47Å; N152-M155 PolarHBondContact O-N 3.17Å; N152-E156 WeakPolarHBondContact O-CG 3.21Å; N152-E156 PolarHBondContact O-N 3.27Å
153A89.6Confident83Confident57 Ų57111.9 Ų111.947%0.47155%0.546SS..Hα-helixtrans-60.6-41.3176.200000112.8A149 K150 E156 A157A149-A153 PolarHBondContact O-N 2.96Å; K150-A153 PolarHBondContact O-N 3.09Å; A153-E156 PolarHBondContact O-N 2.77Å; A153-A157 WeakPolarHBondContact O-CB 3.15Å; A153-A157 PolarHBondContact O-N 2.83Å
154E86.7Confident83.6Confident112 Ų112108.1 Ų108.152%0.52354%0.541SS..Hα-helixtrans-64.8-40.9176.4-75.6178.3-177.300112.1K150 Q151 N152 A157 L158K150-E154 WeakPolarHBondContact CE-OE1 3.15Å; K150-E154 WeakPolarHBondContact O-CG 3.47Å; K150-E154 PolarHBondContact O-N 3.35Å; Q151-E154 PolarHBondContact O-N 2.85Å; N152-E154 PolarHBondContact O-N 3.47Å; E154-A157 PolarHBondContact O-N 3.37Å; E154-L158 WeakPolarHBondContact O-CB 3.38Å; E154-L158 PolarHBondContact O-N 3.29Å
155M80.6Confident84.2Confident114 Ų114108 Ų10856%0.56254%0.54SS*.Hα-helixtrans-65.5-41.9176.1-75.4-64.6-66.300112.3Q151 N152 L158 R159Q151-M155 WeakPolarHBondContact O-CB 3.27Å; Q151-M155 VanDerWaalsContact O-CG 3.3Å; Q151-M155 WeakPolarHBondContact O-CG 3.18Å; Q151-M155 PolarHBondContact O-N 2.9Å; N152-M155 PolarHBondContact O-N 3.17Å; M155-L158 PolarHBondContact O-N 3.08Å; M155-R159 WeakPolarHBondContact O-CB 3.46Å; M155-R159 PolarHBondContact O-N 3.28Å
156E87.8Confident84.1Confident142 Ų142106.3 Ų106.366%0.66454%0.54SS*.Hα-helixtrans-63.9-43.7174.3-74.5-176.8172.700111.6N152 A153 L158 R159 A160N152-E156 WeakPolarHBondContact O-CG 3.21Å; N152-E156 PolarHBondContact O-N 3.27Å; A153-E156 PolarHBondContact O-N 2.77Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.16Å; E156-R159 PolarHBondContact O-N 3.37Å; E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 3.5Å
157A89.1Confident84.1Confident47 Ų47105 Ų10539%0.38853%0.534SS..Hα-helixtrans-63.5-39.5176.300000112.2A153 E154 K161A153-A157 WeakPolarHBondContact O-CB 3.15Å; A153-A157 PolarHBondContact O-N 2.83Å; E154-A157 PolarHBondContact O-N 3.37Å; A157-K161 WeakPolarHBondContact O-CG 3.36Å; A157-K161 PolarHBondContact O-N 3.32Å; A157-K161 VanDerWaalsContact O-N 3.08Å
158L85.4Confident84.4Confident87 Ų87102.4 Ų102.446%0.45553%0.527SS..Hα-helixtrans-64.5-45.2174.5-179.762.4000111E154 M155 E156 A160 K161 M162E154-L158 WeakPolarHBondContact O-CB 3.38Å; E154-L158 PolarHBondContact O-N 3.29Å; M155-L158 PolarHBondContact O-N 3.08Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.16Å; L158-A160 PolarHBondContact O-N 2.94Å; L158-K161 PolarHBondContact O-N 2.98Å; L158-K161 VanDerWaalsContact O-N 3.17Å; L158-M162 HydrophobicContact CD1-CE 4.07Å; L158-M162 HydrophobicContact CD1-CG 4.1Å; L158-M162 HydrophobicContact CG-CG 4.31Å; L158-M162 WeakPolarHBondContact O-CB 3.23Å; L158-M162 VanDerWaalsContact O-CG 3.27Å; L158-M162 WeakPolarHBondContact O-CG 3.15Å; L158-M162 PolarHBondContact O-N 3.14Å
159R79.7Confident84.6Confident181 Ų181101.4 Ų101.468%0.68353%0.525SS*.Hα-helixtrans-58.9-47.5176.7-173.1175.9-177.3150.31.8111.2M155 E156 K161 M162 E163M155-R159 WeakPolarHBondContact O-CB 3.46Å; M155-R159 PolarHBondContact O-N 3.28Å; E156-R159 PolarHBondContact O-N 3.37Å; R159-K161 VanDerWaalsContact C-N 3.25Å; R159-K161 PolarHBondContact O-N 2.74Å; R159-M162 PolarHBondContact O-N 2.81Å; R159-M162 VanDerWaalsContact O-N 3.09Å; R159-E163 PolarHBondContact O-N 3.47Å
160A89Confident84.3Confident66 Ų66107.3 Ų107.355%0.54553%0.534SS..Hα-helixtrans-60.1-34177.200000112.9E156 L158 P164E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 3.5Å; L158-A160 PolarHBondContact O-N 2.94Å; A160-P164 WeakPolarHBondContact O-CD 3.47Å
161K84.1Confident84.4Confident150 Ų150106.8 Ų106.865%0.65253%0.534SS*.Hα-helixtrans-76.8-30.1174.6-74178.7-179.5-1800113.6A157 L158 R159 P164A157-K161 WeakPolarHBondContact O-CG 3.36Å; A157-K161 PolarHBondContact O-N 3.32Å; A157-K161 VanDerWaalsContact O-N 3.08Å; L158-K161 PolarHBondContact O-N 2.98Å; L158-K161 VanDerWaalsContact O-N 3.17Å; R159-K161 VanDerWaalsContact C-N 3.25Å; R159-K161 PolarHBondContact O-N 2.74Å; K161-P164 WeakPolarHBondContact O-CD 3.34Å; K161-P164 WeakPolarHBondContact O-CG 3.44Å
162M77.4Confident84.5Confident99 Ų99107.7 Ų107.749%0.48854%0.536SS..Hα-helixtrans-81.7-29.9-178.7-73.6-70.5137.500112.9L158 R159 V165 M166L158-M162 HydrophobicContact CD1-CE 4.07Å; L158-M162 HydrophobicContact CD1-CG 4.1Å; L158-M162 HydrophobicContact CG-CG 4.31Å; L158-M162 WeakPolarHBondContact O-CB 3.23Å; L158-M162 VanDerWaalsContact O-CG 3.27Å; L158-M162 WeakPolarHBondContact O-CG 3.15Å; L158-M162 PolarHBondContact O-N 3.14Å; R159-M162 PolarHBondContact O-N 2.81Å; R159-M162 VanDerWaalsContact O-N 3.09Å; M162-V165 PolarHBondContact O-N 3.39Å; M162-V165 VanDerWaalsContact O-N 3.15Å; M162-M166 PolarHBondContact O-N 3.21Å
163E85.6Confident84.3Confident126 Ų126106.1 Ų106.159%0.58953%0.53SS*.Hα-helixtrans-49.6-54.2175.9-157.196.2-156.700112.7R159 V165 M166 E167R159-E163 PolarHBondContact O-N 3.47Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.37Å; E163-M166 PolarHBondContact O-N 2.98Å; E163-E167 PolarHBondContact O-N 3.15Å; E163-E167 VanDerWaalsContact O-N 3.14Å
164P87.9Confident83.9Confident77 Ų77105.6 Ų105.650%0.553%0.526SS..Hα-helixtrans-67.4-31.3178.927.5-36.6000113.3A160 K161 E167 E168A160-P164 WeakPolarHBondContact O-CD 3.47Å; K161-P164 WeakPolarHBondContact O-CD 3.34Å; K161-P164 WeakPolarHBondContact O-CG 3.44Å; P164-E167 PolarHBondContact O-N 3.45Å; P164-E168 WeakPolarHBondContact O-CB 3.28Å; P164-E168 PolarHBondContact O-N 2.93Å
165V85.5Confident83.9Confident75 Ų75103.6 Ų103.646%0.45552%0.522SS..Hα-helixtrans-66.7-41.4178.41770000110.7M162 E163 E167 E168 L169M162-V165 PolarHBondContact O-N 3.39Å; M162-V165 VanDerWaalsContact O-N 3.15Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.37Å; V165-E167 VanDerWaalsContact C-N 3.35Å; V165-E168 PolarHBondContact O-N 3.3Å; V165-L169 WeakPolarHBondContact O-CB 3.36Å; V165-L169 PolarHBondContact O-N 3.46Å
166M77.7Confident83.9Confident121 Ų121102.6 Ų102.660%0.59652%0.519SS*.Hα-helixtrans-69.2-34.8175.8-76.8-50.9-88.900112.5M162 E163 L169 R170M162-M166 PolarHBondContact O-N 3.21Å; E163-M166 PolarHBondContact O-N 2.98Å; M166-L169 HydrophobicContact CE-CD2 4.39Å; M166-L169 PolarHBondContact O-N 2.99Å; M166-L169 HydrophobicContact SD-CD2 3.94Å; M166-R170 VanDerWaalsContact O-CB 3.3Å; M166-R170 WeakPolarHBondContact O-CB 3.49Å; M166-R170 PolarHBondContact O-N 3.36Å
167E85.4Confident83.5Confident100 Ų100101.2 Ų101.247%0.46752%0.515SS..Hα-helixtrans-65.7-44174.8-166.456.9-150.100111.3E163 P164 V165 L169 R170 Q171E163-E167 PolarHBondContact O-N 3.15Å; E163-E167 VanDerWaalsContact O-N 3.14Å; P164-E167 PolarHBondContact O-N 3.45Å; V165-E167 VanDerWaalsContact C-N 3.35Å; E167-L169 PolarHBondContact O-N 3.36Å; E167-R170 PolarHBondContact O-N 3.42Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 2.93Å
168E85.8Confident83.1Confident100 Ų100103.9 Ų103.947%0.46752%0.523SS..Hα-helixtrans-62.1-42.1174.6-168.5-171.5155.100111.8P164 V165 Q171 K172P164-E168 WeakPolarHBondContact O-CB 3.28Å; P164-E168 PolarHBondContact O-N 2.93Å; V165-E168 PolarHBondContact O-N 3.3Å; E168-Q171 PolarHBondContact O-N 3.47Å; E168-K172 HydrophobicContact CG-CD 4.42Å; E168-K172 WeakPolarHBondContact O-CG 3.37Å; E168-K172 PolarHBondContact O-N 3.02Å; E168-K172 WeakPolarHBondContact OE1-CE 3.3Å; E168-K172 IonicContact OE1-NZ 2.68Å; E168-K172 PolarHBondContact OE1-NZ 2.88Å
169L80.6Confident82.9Confident90 Ų90105.4 Ų105.447%0.47153%0.528SS..Hα-helixtrans-63.6-43.5176.9-173.665.7000111.4V165 M166 E167 Q171 K172 V173V165-L169 WeakPolarHBondContact O-CB 3.36Å; V165-L169 PolarHBondContact O-N 3.46Å; M166-L169 HydrophobicContact CE-CD2 4.39Å; M166-L169 PolarHBondContact O-N 2.99Å; M166-L169 HydrophobicContact SD-CD2 3.94Å; E167-L169 PolarHBondContact O-N 3.36Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 2.65Å; L169-K172 PolarHBondContact O-N 2.95Å; L169-V173 HydrophobicContact CG-CG2 4.5Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.28Å; L169-V173 PolarHBondContact O-N 2.9Å
170R80.9Confident82.8Confident185 Ų185100.5 Ų100.570%0.69852%0.518SS*.Hα-helixtrans-60-43.5177-174.2-176.8177.497.52.5111.1M166 E167 A174M166-R170 VanDerWaalsContact O-CB 3.3Å; M166-R170 WeakPolarHBondContact O-CB 3.49Å; M166-R170 PolarHBondContact O-N 3.36Å; E167-R170 PolarHBondContact O-N 3.42Å; R170-A174 WeakPolarHBondContact O-CB 3.46Å; R170-A174 PolarHBondContact O-N 3.32Å
171Q88.6Confident82.1Confident115 Ų115105.9 Ų105.954%0.53752%0.524SS..Hα-helixtrans-63.5-48.7176.1-71.7176.310.100111.7E167 E168 L169 V173 A174 T175E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 2.93Å; E168-Q171 PolarHBondContact O-N 3.47Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 2.65Å; Q171-V173 VanDerWaalsContact C-N 3.32Å; Q171-V173 PolarHBondContact O-N 3.09Å; Q171-A174 PolarHBondContact O-N 2.94Å; Q171-T175 PolarHBondContact O-N 3.19Å; Q171-T175 PolarHBondContact O-OG1 3.35Å; Q171-T175 VanDerWaalsContact O-OG1 3.09Å
172K83.3Confident82.1Confident111 Ų111101.6 Ų101.648%0.48352%0.517SS..Hα-helixtrans-60.3-40.1177.9-78.1175.6170.2167.30112.8E168 L169 T175 N176E168-K172 HydrophobicContact CG-CD 4.42Å; E168-K172 WeakPolarHBondContact O-CG 3.37Å; E168-K172 PolarHBondContact O-N 3.02Å; E168-K172 WeakPolarHBondContact OE1-CE 3.3Å; E168-K172 IonicContact OE1-NZ 2.68Å; E168-K172 PolarHBondContact OE1-NZ 2.88Å; L169-K172 PolarHBondContact O-N 2.95Å; K172-T175 PolarHBondContact O-N 3.17Å; K172-N176 WeakPolarHBondContact O-CB 3.33Å; K172-N176 PolarHBondContact O-N 3.26Å; K172-N176 PolarHBondContact O-OD1 3.38Å
173V80.6Confident82.1Confident73 Ų7399.9 Ų99.944%0.44252%0.519SS..Hα-helixtrans-65.1-43.5176.1169.80000111.1L169 Q171 N176 L177L169-V173 HydrophobicContact CG-CG2 4.5Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.28Å; L169-V173 PolarHBondContact O-N 2.9Å; Q171-V173 VanDerWaalsContact C-N 3.32Å; Q171-V173 PolarHBondContact O-N 3.09Å; V173-N176 PolarHBondContact O-N 2.99Å; V173-L177 HydrophobicContact CG1-CD1 3.96Å; V173-L177 HydrophobicContact CG1-CG 4.5Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CG 3.37Å; V173-L177 PolarHBondContact O-N 2.93Å
174A81Confident81.5Confident47 Ų4798.2 Ų98.239%0.38851%0.513SS..Hα-helixtrans-60-48.2176.300000111.4R170 Q171 N176 L177 D178R170-A174 WeakPolarHBondContact O-CB 3.46Å; R170-A174 PolarHBondContact O-N 3.32Å; Q171-A174 PolarHBondContact O-N 2.94Å; A174-N176 PolarHBondContact O-N 3.46Å; A174-L177 PolarHBondContact O-N 2.85Å; A174-D178 PolarHBondContact O-N 3.45Å
175T85.8Confident81.1Confident69 Ų6999.3 Ų99.342%0.42351%0.513SS..Hα-helixtrans-59.9-46.7177-54.70000111.9Q171 K172 L177 D178 E179Q171-T175 PolarHBondContact O-N 3.19Å; Q171-T175 PolarHBondContact O-OG1 3.35Å; Q171-T175 VanDerWaalsContact O-OG1 3.09Å; K172-T175 PolarHBondContact O-N 3.17Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.48Å; T175-D178 PolarHBondContact O-N 2.86Å; T175-E179 HydrophobicContact CG2-CG 4.39Å; T175-E179 WeakPolarHBondContact O-CG 3.45Å; T175-E179 PolarHBondContact O-N 3.02Å
176N81Confident80.9Confident93 Ų9399.1 Ų99.150%0.49751%0.513SS..Hα-helixtrans-64-34.9179.8-72.82.5000112.4K172 V173 A174 T180K172-N176 WeakPolarHBondContact O-CB 3.33Å; K172-N176 PolarHBondContact O-N 3.26Å; K172-N176 PolarHBondContact O-OD1 3.38Å; V173-N176 PolarHBondContact O-N 2.99Å; A174-N176 PolarHBondContact O-N 3.46Å; N176-T180 VanDerWaalsContact O-CB 3.26Å; N176-T180 WeakPolarHBondContact O-CB 3.49Å; N176-T180 PolarHBondContact O-N 3.32Å; N176-T180 PolarHBondContact O-OG1 3.41Å
177L79.6Confident80.9Confident113 Ų11398.1 Ų98.159%0.59251%0.509SS*.Hα-helixtrans-66.7-42.2174.6-78.2167.9000111.4V173 A174 T175 T180 R181V173-L177 HydrophobicContact CG1-CD1 3.96Å; V173-L177 HydrophobicContact CG1-CG 4.5Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CG 3.37Å; V173-L177 PolarHBondContact O-N 2.93Å; A174-L177 PolarHBondContact O-N 2.85Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.48Å; L177-T180 PolarHBondContact O-N 3.31Å; L177-R181 VanDerWaalsContact O-CB 3.29Å; L177-R181 WeakPolarHBondContact O-CB 3.4Å; L177-R181 PolarHBondContact O-N 2.87Å
178D81.1Confident80.3Confident104 Ų10498 Ų9856%0.55652%0.515SS*.Hα-helixtrans-66.2-42.5176.5-75-24.4000111.7A174 T175 R181 A182A174-D178 PolarHBondContact O-N 3.45Å; T175-D178 PolarHBondContact O-N 2.86Å; D178-R181 WeakPolarHBondContact O-CB 3.26Å; D178-R181 PolarHBondContact O-N 3.47Å; D178-A182 WeakPolarHBondContact O-CB 3.42Å; D178-A182 PolarHBondContact O-N 2.86Å
179E79.7Confident80.1Confident118 Ų11898.7 Ų98.755%0.55152%0.518SS*.Hα-helixtrans-63.1-43.8174.3-73.1178.7-176.400111.9T175 R181 A182 A183T175-E179 HydrophobicContact CG2-CG 4.39Å; T175-E179 WeakPolarHBondContact O-CG 3.45Å; T175-E179 PolarHBondContact O-N 3.02Å; E179-R181 VanDerWaalsContact C-N 3.33Å; E179-R181 PolarHBondContact O-N 3.47Å; E179-A182 PolarHBondContact O-N 2.7Å; E179-A183 WeakPolarHBondContact O-CB 3.29Å; E179-A183 PolarHBondContact O-N 3.23Å
180T78Confident79.9Confident78 Ų7897 Ų9748%0.47951%0.514SS..Hα-helixtrans-61.9-43.5175.5-59.80000110.7N176 L177 A182 A183 L184N176-T180 VanDerWaalsContact O-CB 3.26Å; N176-T180 WeakPolarHBondContact O-CB 3.49Å; N176-T180 PolarHBondContact O-N 3.32Å; N176-T180 PolarHBondContact O-OG1 3.41Å; L177-T180 PolarHBondContact O-N 3.31Å; T180-A182 VanDerWaalsContact C-N 3.33Å; T180-A182 PolarHBondContact O-N 3.09Å; T180-A183 PolarHBondContact O-N 3.45Å; T180-L184 HydrophobicContact CG2-CD1 3.91Å; T180-L184 HydrophobicContact CG2-CG 4.36Å; T180-L184 WeakPolarHBondContact O-CB 3.43Å; T180-L184 VanDerWaalsContact O-CG 3.3Å; T180-L184 WeakPolarHBondContact O-CG 3.45Å; T180-L184 PolarHBondContact O-N 3.32Å
181R74.9Confident79.8Confident179 Ų17992.4 Ų92.468%0.67551%0.507SS*.Hα-helixtrans-60.8-43.6175.6-176.8179.9-177174.31.3111.3L177 D178 E179 L184 M185L177-R181 VanDerWaalsContact O-CB 3.29Å; L177-R181 WeakPolarHBondContact O-CB 3.4Å; L177-R181 PolarHBondContact O-N 2.87Å; D178-R181 WeakPolarHBondContact O-CB 3.26Å; D178-R181 PolarHBondContact O-N 3.47Å; E179-R181 VanDerWaalsContact C-N 3.33Å; E179-R181 PolarHBondContact O-N 3.47Å; R181-L184 PolarHBondContact O-N 2.89Å; R181-M185 PolarHBondContact O-N 2.98Å; R181-M185 VanDerWaalsContact O-N 3.09Å
182A82.8Confident79.2Confident61 Ų6195.8 Ų95.850%0.50451%0.514SS..Hα-helixtrans-64.1-41.5177.200000112D178 E179 T180 P186D178-A182 WeakPolarHBondContact O-CB 3.42Å; D178-A182 PolarHBondContact O-N 2.86Å; E179-A182 PolarHBondContact O-N 2.7Å; T180-A182 VanDerWaalsContact C-N 3.33Å; T180-A182 PolarHBondContact O-N 3.09Å; A182-P186 WeakPolarHBondContact O-CD 3.3Å
183A79.3Confident79.3Confident63 Ų6394.1 Ų94.152%0.52151%0.514SS..Hα-helixtrans-69-32.5178.300000113.3E179 T180 P186E179-A183 WeakPolarHBondContact O-CB 3.29Å; E179-A183 PolarHBondContact O-N 3.23Å; T180-A183 PolarHBondContact O-N 3.45Å; A183-P186 WeakPolarHBondContact O-CD 3.34Å; A183-P186 WeakPolarHBondContact O-CG 3.49Å
184L71.9Confident79.3Confident90 Ų9096.7 Ų96.747%0.47152%0.519SS..Hα-helixtrans-81.6-25.6178.9-70.1177.4000113.4T180 R181 I187 V188T180-L184 HydrophobicContact CG2-CD1 3.91Å; T180-L184 HydrophobicContact CG2-CG 4.36Å; T180-L184 WeakPolarHBondContact O-CB 3.43Å; T180-L184 VanDerWaalsContact O-CG 3.3Å; T180-L184 WeakPolarHBondContact O-CG 3.45Å; T180-L184 PolarHBondContact O-N 3.32Å; R181-L184 PolarHBondContact O-N 2.89Å; L184-I187 HydrophobicContact CD2-CD1 4.17Å; L184-I187 WeakPolarHBondContact O-CB 3.13Å; L184-I187 PolarHBondContact O-N 2.96Å; L184-I187 VanDerWaalsContact O-N 3.12Å; L184-V188 WeakPolarHBondContact O-CG2 3.44Å; L184-V188 PolarHBondContact O-N 3.24Å
185M78.9Confident79.3Confident100 Ų10099.4 Ų99.449%0.49353%0.526SS..Hα-helixtrans-50.8-50.6177.9-165178.6-66.800113.8R181 I187 V188 E189R181-M185 PolarHBondContact O-N 2.98Å; R181-M185 VanDerWaalsContact O-N 3.09Å; M185-I187 VanDerWaalsContact C-N 3.29Å; M185-I187 PolarHBondContact O-N 3.46Å; M185-V188 PolarHBondContact O-N 3.01Å; M185-E189 WeakPolarHBondContact O-CG 3.41Å; M185-E189 PolarHBondContact O-N 3.12Å
186P82.9Confident79.2Confident72 Ų7299.6 Ų99.647%0.46853%0.527SS..Hα-helixtrans-66-29.617926.2-36.3000113.3A182 A183 S190A182-P186 WeakPolarHBondContact O-CD 3.3Å; A183-P186 WeakPolarHBondContact O-CD 3.34Å; A183-P186 WeakPolarHBondContact O-CG 3.49Å; P186-S190 WeakPolarHBondContact O-CB 3.34Å; P186-S190 PolarHBondContact O-N 3.43Å
187I76.2Confident79.4Confident100 Ų100100.6 Ų100.651%0.51353%0.529SS..Hα-helixtrans-68.2-45.6176-62.7172.7000109.6L184 M185 E189 S190 V191L184-I187 HydrophobicContact CD2-CD1 4.17Å; L184-I187 WeakPolarHBondContact O-CB 3.13Å; L184-I187 PolarHBondContact O-N 2.96Å; L184-I187 VanDerWaalsContact O-N 3.12Å; M185-I187 VanDerWaalsContact C-N 3.29Å; M185-I187 PolarHBondContact O-N 3.46Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 2.92Å; I187-S190 PolarHBondContact O-N 3.37Å; I187-V191 HydrophobicContact CG2-CG2 4.49Å; I187-V191 VanDerWaalsContact O-CG2 3.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.32Å; I187-V191 PolarHBondContact O-N 2.9Å
188V74.6Confident79.3Confident96 Ų96104.5 Ų104.558%0.58254%0.536SS*.Hα-helixtrans-61.6-42.6176.91740000111L184 M185 V191 R192L184-V188 WeakPolarHBondContact O-CG2 3.44Å; L184-V188 PolarHBondContact O-N 3.24Å; M185-V188 PolarHBondContact O-N 3.01Å; V188-V191 PolarHBondContact O-N 3.33Å; V188-R192 WeakPolarHBondContact O-CB 3.31Å; V188-R192 PolarHBondContact O-N 3.39Å
189E81.3Confident79.2Confident115 Ų115104.5 Ų104.554%0.53754%0.535SS..Hα-helixtrans-64.3-41175.7-71.9-179.7168.500112.4M185 I187 R192 T193M185-E189 WeakPolarHBondContact O-CG 3.41Å; M185-E189 PolarHBondContact O-N 3.12Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 2.92Å; E189-R192 PolarHBondContact O-N 2.76Å; E189-T193 WeakPolarHBondContact O-CB 3.38Å; E189-T193 PolarHBondContact O-N 2.9Å; E189-T193 PolarHBondContact O-OG1 3.18Å
190S76.3Confident79.3Confident55 Ų55105.2 Ų105.239%0.38554%0.538SS..Hα-helixtrans-63.1-43.7174.9-173.20000112P186 I187 T193 K194P186-S190 WeakPolarHBondContact O-CB 3.34Å; P186-S190 PolarHBondContact O-N 3.43Å; I187-S190 PolarHBondContact O-N 3.37Å; S190-T193 PolarHBondContact O-N 3.26Å; S190-K194 WeakPolarHBondContact O-CB 3.34Å; S190-K194 WeakPolarHBondContact O-CG 3.4Å; S190-K194 PolarHBondContact O-N 3.39Å
191V77.4Confident79.4Confident89 Ų89103.7 Ų103.754%0.53953%0.534SS..Hα-helixtrans-63.1-45.9176.6170.50000110.7I187 V188 T193 K194 L195I187-V191 HydrophobicContact CG2-CG2 4.49Å; I187-V191 VanDerWaalsContact O-CG2 3.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.32Å; I187-V191 PolarHBondContact O-N 2.9Å; V188-V191 PolarHBondContact O-N 3.33Å; V191-T193 VanDerWaalsContact C-N 3.32Å; V191-T193 PolarHBondContact O-N 2.91Å; V191-K194 PolarHBondContact O-N 3.4Å; V191-L195 WeakPolarHBondContact O-CB 3.3Å; V191-L195 PolarHBondContact O-N 3.2Å
192R76.9Confident79.6Confident186 Ų18699.6 Ų99.670%0.70253%0.525SS*.Hα-helixtrans-58.5-45.9176.7-175.6-179-176.7177.81.5111.4V188 E189 L195 V196V188-R192 WeakPolarHBondContact O-CB 3.31Å; V188-R192 PolarHBondContact O-N 3.39Å; E189-R192 PolarHBondContact O-N 2.76Å; R192-L195 PolarHBondContact O-N 3.16Å; R192-V196 WeakPolarHBondContact O-CG2 3.47Å; R192-V196 PolarHBondContact O-N 3.3Å
193T85.1Confident79.2Confident76 Ų76103.9 Ų103.947%0.46653%0.532SS..Hα-helixtrans-62.6-50.1179.9-54.90000110.9E189 S190 V191 L195 V196 E197E189-T193 WeakPolarHBondContact O-CB 3.38Å; E189-T193 PolarHBondContact O-N 2.9Å; E189-T193 PolarHBondContact O-OG1 3.18Å; S190-T193 PolarHBondContact O-N 3.26Å; V191-T193 VanDerWaalsContact C-N 3.32Å; V191-T193 PolarHBondContact O-N 2.91Å; T193-L195 VanDerWaalsContact C-N 3.27Å; T193-L195 PolarHBondContact O-N 2.89Å; T193-V196 PolarHBondContact O-N 3.31Å; T193-V196 VanDerWaalsContact O-N 3.16Å; T193-E197 WeakPolarHBondContact O-CG 3.37Å; T193-E197 PolarHBondContact O-N 3.36Å
194K81.5Confident79.3Confident126 Ų126104 Ų10455%0.54853%0.533SS..Hα-helixtrans-60.5-36176.4-73.7177.9179.1176.70112.6S190 V191 R198S190-K194 WeakPolarHBondContact O-CB 3.34Å; S190-K194 WeakPolarHBondContact O-CG 3.4Å; S190-K194 PolarHBondContact O-N 3.39Å; V191-K194 PolarHBondContact O-N 3.4Å; K194-R198 WeakPolarHBondContact O-CB 3.4Å; K194-R198 WeakPolarHBondContact O-CG 3.48Å; K194-R198 PolarHBondContact O-N 3.34Å
195L79.5Confident79.5Confident105 Ų105106.3 Ų106.355%0.5554%0.543SS..Hα-helixtrans-66.7-43.1177.2-174.565.3000111.4V191 R192 T193 R198 L199V191-L195 WeakPolarHBondContact O-CB 3.3Å; V191-L195 PolarHBondContact O-N 3.2Å; R192-L195 PolarHBondContact O-N 3.16Å; T193-L195 VanDerWaalsContact C-N 3.27Å; T193-L195 PolarHBondContact O-N 2.89Å; L195-R198 PolarHBondContact O-N 3.01Å; L195-L199 HydrophobicContact CG-CD1 4.2Å; L195-L199 WeakPolarHBondContact O-CB 3.42Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 2.95Å
196V84.5Confident79.2Confident72 Ų72103.4 Ų103.444%0.43654%0.535SS..Hα-helixtrans-61.1-48.4174.8172.10000110.3R192 T193 R198 L199 E200R192-V196 WeakPolarHBondContact O-CG2 3.47Å; R192-V196 PolarHBondContact O-N 3.3Å; T193-V196 PolarHBondContact O-N 3.31Å; T193-V196 VanDerWaalsContact O-N 3.16Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 2.88Å; V196-L199 PolarHBondContact O-N 3.41Å; V196-E200 WeakPolarHBondContact O-CG 3.26Å; V196-E200 PolarHBondContact O-N 2.95Å
197E84.1Confident78.9Confident114 Ų114103.3 Ų103.353%0.53353%0.533SS..Hα-helixtrans-57.5-43.3176.8-71171.8177.300112.2T193 E200 A201T193-E197 WeakPolarHBondContact O-CG 3.37Å; T193-E197 PolarHBondContact O-N 3.36Å; E197-E200 PolarHBondContact O-N 2.88Å; E197-A201 WeakPolarHBondContact O-CB 3.5Å; E197-A201 PolarHBondContact O-N 2.86Å
198R79.3Confident79.1Confident196 Ų196102.1 Ų102.174%0.7453%0.532SS*.Hα-helixtrans-68.4-38.1178.5-71-70.2-179.9169.40.8112.2K194 L195 V196 A201 L202K194-R198 WeakPolarHBondContact O-CB 3.4Å; K194-R198 WeakPolarHBondContact O-CG 3.48Å; K194-R198 PolarHBondContact O-N 3.34Å; L195-R198 PolarHBondContact O-N 3.01Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 2.88Å; R198-A201 PolarHBondContact O-N 3.4Å; R198-L202 VanDerWaalsContact O-CB 3.26Å; R198-L202 WeakPolarHBondContact O-CB 3.49Å; R198-L202 PolarHBondContact O-N 3.13Å
199L78.5Confident79.1Confident104 Ų104105 Ų10555%0.54553%0.533SS..Hα-helixtrans-66-40.8174.6-78.4169.5000111.6L195 V196 L202 K203L195-L199 HydrophobicContact CG-CD1 4.2Å; L195-L199 WeakPolarHBondContact O-CB 3.42Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 2.95Å; V196-L199 PolarHBondContact O-N 3.41Å; L199-L202 PolarHBondContact O-N 3.27Å; L199-K203 VanDerWaalsContact O-CB 3.31Å; L199-K203 WeakPolarHBondContact O-CB 3.34Å; L199-K203 PolarHBondContact O-N 3.46Å
200E82.3Confident78.7Confident132 Ų132103.9 Ų103.962%0.61753%0.534SS*.Hα-helixtrans-66.6-43175-71.4-159.5159.400112V196 E197 L202 K203 A204V196-E200 WeakPolarHBondContact O-CG 3.26Å; V196-E200 PolarHBondContact O-N 2.95Å; E197-E200 PolarHBondContact O-N 2.88Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 3.41Å; E200-K203 WeakPolarHBondContact O-CB 3.15Å; E200-K203 PolarHBondContact O-N 3.19Å; E200-A204 WeakPolarHBondContact O-CB 3.43Å; E200-A204 PolarHBondContact O-N 3.31Å
201A80.1Confident78.7Confident47 Ų47105.5 Ų105.539%0.38854%0.536SS..Hα-helixtrans-61.6-41.7174.500000111.8E197 R198 A204 M205E197-A201 WeakPolarHBondContact O-CB 3.5Å; E197-A201 PolarHBondContact O-N 2.86Å; R198-A201 PolarHBondContact O-N 3.4Å; A201-A204 PolarHBondContact O-N 3.42Å; A201-M205 WeakPolarHBondContact O-CB 3.34Å; A201-M205 WeakPolarHBondContact O-CG 3.39Å; A201-M205 PolarHBondContact O-N 3.43Å
202L78.5Confident78.6Confident93 Ų93106.3 Ų106.349%0.48753%0.534SS..Hα-helixtrans-65.7-41176.3-164.1115000111.2R198 L199 E200 M205 A206 M253R198-L202 VanDerWaalsContact O-CB 3.26Å; R198-L202 WeakPolarHBondContact O-CB 3.49Å; R198-L202 PolarHBondContact O-N 3.13Å; L199-L202 PolarHBondContact O-N 3.27Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 3.41Å; L202-M205 PolarHBondContact O-N 3.35Å; L202-A206 WeakPolarHBondContact O-CB 3.39Å; L202-A206 PolarHBondContact O-N 3.18Å; L202-M253 HydrophobicContact CD1-CE 3.93Å
203K75.1Confident78.3Confident151 Ų151103.7 Ų103.766%0.65753%0.525SS*.Hα-helixtrans-61.8-44.5173.6-173.6179.4179.5-176.90111.1L199 E200 M205 A206 T207L199-K203 VanDerWaalsContact O-CB 3.31Å; L199-K203 WeakPolarHBondContact O-CB 3.34Å; L199-K203 PolarHBondContact O-N 3.46Å; E200-K203 WeakPolarHBondContact O-CB 3.15Å; E200-K203 PolarHBondContact O-N 3.19Å; K203-M205 PolarHBondContact O-N 2.88Å; K203-A206 PolarHBondContact O-N 3.49Å; K203-T207 WeakPolarHBondContact O-CB 3.36Å; K203-T207 PolarHBondContact O-N 3.03Å; K203-T207 PolarHBondContact O-OG1 3.37Å
204A80.4Confident77.7Confident66 Ų66104.7 Ų104.755%0.54552%0.522SS..Hα-helixtrans-63.6-40.1177.400000112.1E200 A201 P208E200-A204 WeakPolarHBondContact O-CB 3.43Å; E200-A204 PolarHBondContact O-N 3.31Å; A201-A204 PolarHBondContact O-N 3.42Å; A204-P208 WeakPolarHBondContact O-CD 3.41Å
205M75.3Confident77.4Confident138 Ų138104 Ų10468%0.6852%0.521SS*.Hα-helixtrans-68.7-39.7174.1-75.5-173.5178.200112.4A201 L202 K203 P208 Y209A201-M205 WeakPolarHBondContact O-CB 3.34Å; A201-M205 WeakPolarHBondContact O-CG 3.39Å; A201-M205 PolarHBondContact O-N 3.43Å; L202-M205 PolarHBondContact O-N 3.35Å; K203-M205 PolarHBondContact O-N 2.88Å; M205-P208 VanDerWaalsContact O-CD 3.25Å; M205-P208 WeakPolarHBondContact O-CD 3.49Å; M205-P208 VanDerWaalsContact O-CG 3.26Å; M205-P208 WeakPolarHBondContact O-CG 3.5Å; M205-Y209 WeakPolarHBondContact O-CD2 3.31Å; M205-Y209 WeakPolarHBondContact O-CE2 3.41Å
206A72.9Confident76.9Confident39 Ų39103.2 Ų103.232%0.32252%0.515SS..Hα-helixtrans-75.9-28.1-178.100000113.1L202 K203 Y209 V210L202-A206 WeakPolarHBondContact O-CB 3.39Å; L202-A206 PolarHBondContact O-N 3.18Å; K203-A206 PolarHBondContact O-N 3.49Å; A206-Y209 PolarHBondContact O-N 3.01Å; A206-V210 WeakPolarHBondContact O-CG2 3.34Å; A206-V210 PolarHBondContact O-N 2.93Å
207T77.7Confident76.1Confident70 Ų70104.5 Ų104.543%0.42952%0.519SS..Hα-helixtrans-52.8-51.4-180-60.60000113.5K203 Y209 V210 E211K203-T207 WeakPolarHBondContact O-CB 3.36Å; K203-T207 PolarHBondContact O-N 3.03Å; K203-T207 PolarHBondContact O-OG1 3.37Å; T207-Y209 VanDerWaalsContact C-N 3.35Å; T207-Y209 PolarHBondContact O-N 2.89Å; T207-V210 PolarHBondContact O-N 2.73Å; T207-E211 PolarHBondContact O-N 2.63Å
208P80.4Confident75.5Confident74 Ų74106.6 Ų106.648%0.48152%0.522SS..Hα-helixtrans-63.9-37.4177.824.8-34.8000112.6A204 M205 E211 E212A204-P208 WeakPolarHBondContact O-CD 3.41Å; M205-P208 VanDerWaalsContact O-CD 3.25Å; M205-P208 WeakPolarHBondContact O-CD 3.49Å; M205-P208 VanDerWaalsContact O-CG 3.26Å; M205-P208 WeakPolarHBondContact O-CG 3.5Å; P208-E211 PolarHBondContact O-N 2.88Å; P208-E212 VanDerWaalsContact O-CB 3.25Å; P208-E212 WeakPolarHBondContact O-CB 3.34Å; P208-E212 PolarHBondContact O-N 3.31Å
209Y73.1Confident75.1Confident157 Ų157102.7 Ų102.762%0.61651%0.512SS*.Hα-helixtrans-66.3-38.9176-66.7-74.4000112.3M205 A206 T207 E212 Y213M205-Y209 WeakPolarHBondContact O-CD2 3.31Å; M205-Y209 WeakPolarHBondContact O-CE2 3.41Å; A206-Y209 PolarHBondContact O-N 3.01Å; T207-Y209 VanDerWaalsContact C-N 3.35Å; T207-Y209 PolarHBondContact O-N 2.89Å; Y209-E212 PolarHBondContact O-N 3.5Å; Y209-Y213 VanDerWaalsContact O-CB 3.25Å; Y209-Y213 WeakPolarHBondContact O-CB 3.16Å; Y209-Y213 PolarHBondContact O-N 2.96Å
210V73.6Confident74.4Confident91 Ų9199.3 Ų99.355%0.55250%0.499SS*.Hα-helixtrans-66.2-43177.2170.90000110.7A206 T207 Y213 K214A206-V210 WeakPolarHBondContact O-CG2 3.34Å; A206-V210 PolarHBondContact O-N 2.93Å; T207-V210 PolarHBondContact O-N 2.73Å; V210-Y213 PolarHBondContact O-N 3.1Å; V210-K214 VanDerWaalsContact O-CB 3.28Å; V210-K214 WeakPolarHBondContact O-CB 3.34Å; V210-K214 PolarHBondContact O-N 2.96Å
211E77.6Confident73.4Confident90 Ų90101.3 Ų101.342%0.42150%0.502SS..Hα-helixtrans-70.4-37.8176.8-68.3-5917400112.1T207 P208 Y213 K214 E215T207-E211 PolarHBondContact O-N 2.63Å; P208-E211 PolarHBondContact O-N 2.88Å; E211-Y213 PolarHBondContact O-N 3.34Å; E211-K214 PolarHBondContact O-N 3.33Å; E211-K214 IonicContact OE1-NZ 4Å; E211-K214 WeakPolarHBondContact OE2-CD 3.43Å; E211-K214 IonicContact OE2-NZ 2.95Å; E211-K214 PolarHBondContact OE2-NZ 2.88Å; E211-E215 WeakPolarHBondContact O-CB 3.49Å; E211-E215 PolarHBondContact O-N 2.88Å
212E74.9Confident72.5Confident106 Ų106102.6 Ų102.650%0.49551%0.508SS..Hα-helixtrans-62-43.5172.4-170.1-178.6176.600111.2P208 Y209 K214 E215 Q216P208-E212 VanDerWaalsContact O-CB 3.25Å; P208-E212 WeakPolarHBondContact O-CB 3.34Å; P208-E212 PolarHBondContact O-N 3.31Å; Y209-E212 PolarHBondContact O-N 3.5Å; E212-K214 VanDerWaalsContact C-N 3.35Å; E212-K214 PolarHBondContact O-N 2.81Å; E212-E215 PolarHBondContact O-N 3.45Å; E212-Q216 HydrophobicContact CG-CG 4.47Å; E212-Q216 WeakPolarHBondContact O-CB 3.49Å; E212-Q216 VanDerWaalsContact O-CG 3.25Å; E212-Q216 WeakPolarHBondContact O-CG 3.34Å; E212-Q216 PolarHBondContact O-N 3.37Å; E212-Q216 PolarHBondContact OE1-NE2 3.36Å
213Y69.9Low71.6Confident131 Ų131103.5 Ų103.551%0.51451%0.51SS..Hα-helixtrans-66.2-38.1178-152.4-95.4000112.1Y209 V210 E211 L217Y209-Y213 VanDerWaalsContact O-CB 3.25Å; Y209-Y213 WeakPolarHBondContact O-CB 3.16Å; Y209-Y213 PolarHBondContact O-N 2.96Å; V210-Y213 PolarHBondContact O-N 3.1Å; E211-Y213 PolarHBondContact O-N 3.34Å; Y213-L217 HydrophobicContact CD1-CD1 3.61Å; Y213-L217 HydrophobicContact CD1-CG 4.13Å; Y213-L217 HydrophobicContact CE1-CD1 3.8Å; Y213-L217 HydrophobicContact CE1-CG 4.18Å; Y213-L217 VanDerWaalsContact O-CB 3.27Å; Y213-L217 WeakPolarHBondContact O-CB 3.25Å; Y213-L217 WeakPolarHBondContact O-CG 3.07Å; Y213-L217 PolarHBondContact O-N 3.23Å
214K72.8Confident70.6Confident96 Ų9699.1 Ų99.142%0.41750%0.502SS..Hα-helixtrans-68.3-37175.4-172.9-169.6-179.2-175.60111.7V210 E211 E212 L217 R218V210-K214 VanDerWaalsContact O-CB 3.28Å; V210-K214 WeakPolarHBondContact O-CB 3.34Å; V210-K214 PolarHBondContact O-N 2.96Å; E211-K214 PolarHBondContact O-N 3.33Å; E211-K214 IonicContact OE1-NZ 4Å; E211-K214 WeakPolarHBondContact OE2-CD 3.43Å; E211-K214 IonicContact OE2-NZ 2.95Å; E211-K214 PolarHBondContact OE2-NZ 2.88Å; E212-K214 VanDerWaalsContact C-N 3.35Å; E212-K214 PolarHBondContact O-N 2.81Å; K214-L217 PolarHBondContact O-N 3.25Å; K214-R218 WeakPolarHBondContact O-CB 3.26Å; K214-R218 PolarHBondContact O-N 3.34Å
215E74.6Confident69.3Low111 Ų111103.8 Ų103.852%0.51951%0.512SS..Hα-helixtrans-70.1-43.5175.3-154.164.4-159.300110.8E211 E212 L217 R218 Q219E211-E215 WeakPolarHBondContact O-CB 3.49Å; E211-E215 PolarHBondContact O-N 2.88Å; E212-E215 PolarHBondContact O-N 3.45Å; E215-L217 VanDerWaalsContact C-N 3.34Å; E215-L217 PolarHBondContact O-N 3.08Å; E215-R218 WeakPolarHBondContact O-CB 3.4Å; E215-R218 PolarHBondContact O-N 3.09Å; E215-Q219 VanDerWaalsContact O-CB 3.28Å; E215-Q219 WeakPolarHBondContact O-CB 3.2Å; E215-Q219 PolarHBondContact O-N 3.44Å
216Q70.4Confident68.5Low89 Ų89100.3 Ų100.342%0.41651%0.512SS..Hα-helixtrans-61.5-39.6172.4-73.6179.312.700111.7E212 Q219 A220E212-Q216 HydrophobicContact CG-CG 4.47Å; E212-Q216 WeakPolarHBondContact O-CB 3.49Å; E212-Q216 VanDerWaalsContact O-CG 3.25Å; E212-Q216 WeakPolarHBondContact O-CG 3.34Å; E212-Q216 PolarHBondContact O-N 3.37Å; E212-Q216 PolarHBondContact OE1-NE2 3.36Å; Q216-Q219 PolarHBondContact O-N 3.29Å; Q216-A220 WeakPolarHBondContact O-CB 3.39Å; Q216-A220 PolarHBondContact O-N 2.88Å
217L67.8Low67.6Low100 Ų100100.3 Ų100.352%0.52451%0.508SS..Hα-helixtrans-67-41.3173.9-85.4167.9000112.1Y213 K214 E215 Q219 A220 Y221Y213-L217 HydrophobicContact CD1-CD1 3.61Å; Y213-L217 HydrophobicContact CD1-CG 4.13Å; Y213-L217 HydrophobicContact CE1-CD1 3.8Å; Y213-L217 HydrophobicContact CE1-CG 4.18Å; Y213-L217 VanDerWaalsContact O-CB 3.27Å; Y213-L217 WeakPolarHBondContact O-CB 3.25Å; Y213-L217 WeakPolarHBondContact O-CG 3.07Å; Y213-L217 PolarHBondContact O-N 3.23Å; K214-L217 PolarHBondContact O-N 3.25Å; E215-L217 VanDerWaalsContact C-N 3.34Å; E215-L217 PolarHBondContact O-N 3.08Å; L217-Q219 VanDerWaalsContact C-N 3.33Å; L217-A220 PolarHBondContact O-N 3.07Å; L217-Y221 WeakPolarHBondContact O-CB 3.47Å; L217-Y221 PolarHBondContact O-N 3.44Å
218R71.1Confident66.8Low158 Ų158103.5 Ų103.560%0.59652%0.522SS*.Hα-helixtrans-61.7-43.5172.8-94.6-176.9166.5152.1-4.3111.5K214 E215 Y221 S222K214-R218 WeakPolarHBondContact O-CB 3.26Å; K214-R218 PolarHBondContact O-N 3.34Å; E215-R218 WeakPolarHBondContact O-CB 3.4Å; E215-R218 PolarHBondContact O-N 3.09Å; R218-Y221 PolarHBondContact O-N 3.49Å; R218-S222 WeakPolarHBondContact O-CB 3.27Å; R218-S222 PolarHBondContact O-N 2.81Å; R218-S222 PolarHBondContact O-OG 3.27Å
219Q70.1Confident65.7Low113 Ų113103.6 Ų103.653%0.52853%0.529SS..Hα-helixtrans-66.8-44.9179-159.4174.325.400110.6E215 Q216 L217 Y221 S222 Q223E215-Q219 VanDerWaalsContact O-CB 3.28Å; E215-Q219 WeakPolarHBondContact O-CB 3.2Å; E215-Q219 PolarHBondContact O-N 3.44Å; Q216-Q219 PolarHBondContact O-N 3.29Å; L217-Q219 VanDerWaalsContact C-N 3.33Å; Q219-Y221 VanDerWaalsContact C-N 3.34Å; Q219-Y221 PolarHBondContact O-N 3.44Å; Q219-S222 WeakPolarHBondContact CA-OG 3.06Å; Q219-S222 PolarHBondContact O-N 3.49Å; Q219-S222 PolarHBondContact O-OG 3.49Å; Q219-Q223 WeakPolarHBondContact O-CB 3.34Å; Q219-Q223 WeakPolarHBondContact O-CG 3.25Å; Q219-Q223 PolarHBondContact O-N 3.01Å
220A64.8Low65.1Low33 Ų33104.1 Ų104.127%0.27354%0.537SS..Hα-helixtrans-61.8-38.8173.100000112.3Q216 L217 Q223 A224Q216-A220 WeakPolarHBondContact O-CB 3.39Å; Q216-A220 PolarHBondContact O-N 2.88Å; L217-A220 PolarHBondContact O-N 3.07Å; A220-Q223 PolarHBondContact O-N 3.19Å; A220-A224 WeakPolarHBondContact O-CB 3.25Å; A220-A224 PolarHBondContact O-N 2.94Å
221Y59.5Low64.3Low175 Ų175104.5 Ų104.569%0.68653%0.533SS*.Hα-helixtrans-68.8-38.3176-168.1-94.1000112.1L217 R218 Q219 A224 Q225L217-Y221 WeakPolarHBondContact O-CB 3.47Å; L217-Y221 PolarHBondContact O-N 3.44Å; R218-Y221 PolarHBondContact O-N 3.49Å; Q219-Y221 VanDerWaalsContact C-N 3.34Å; Q219-Y221 PolarHBondContact O-N 3.44Å; Y221-A224 PolarHBondContact O-N 3.17Å; Y221-Q225 PolarHBondContact O-N 3.38Å
222S62.9Low63.3Low73 Ų73105.4 Ų105.451%0.5154%0.54SS..Hα-helixtrans-68.9-34172.768.50000112.9R218 Q219R218-S222 WeakPolarHBondContact O-CB 3.27Å; R218-S222 PolarHBondContact O-N 2.81Å; R218-S222 PolarHBondContact O-OG 3.27Å; Q219-S222 WeakPolarHBondContact CA-OG 3.06Å; Q219-S222 PolarHBondContact O-N 3.49Å; Q219-S222 PolarHBondContact O-OG 3.49Å
223Q58.5Low62.7Low112 Ų112104.1 Ų104.152%0.52354%0.539SS..Hα-helixtrans-70.7-40.2172.9-76.6176.88.900110.3Q219 A220 Q225 G226 V227Q219-Q223 WeakPolarHBondContact O-CB 3.34Å; Q219-Q223 WeakPolarHBondContact O-CG 3.25Å; Q219-Q223 PolarHBondContact O-N 3.01Å; A220-Q223 PolarHBondContact O-N 3.19Å; Q223-Q225 PolarHBondContact O-N 2.95Å; Q223-Q225 VanDerWaalsContact O-N 3.14Å; Q223-G226 PolarHBondContact O-N 2.91Å; Q223-V227 VanDerWaalsContact O-CG2 3.31Å; Q223-V227 WeakPolarHBondContact O-CG2 3.28Å
224A54.4Low62.4Low59 Ų59100.2 Ų100.249%0.48853%0.531SS..Hα-helixtrans-60.7-19.7178.500000114.8A220 Y221 G226A220-A224 WeakPolarHBondContact O-CB 3.25Å; A220-A224 PolarHBondContact O-N 2.94Å; Y221-A224 PolarHBondContact O-N 3.17Å; A224-G226 PolarHBondContact O-N 3.41Å; A224-G226 VanDerWaalsContact O-N 3.14Å
225Q52.4Low61.9Low165 Ų16599.3 Ų99.377%0.77153%0.531SS*.THydrogen-bonded Turntrans-66.2-3.7168.8-77.3-172-1.600113.7Y221 Q223Y221-Q225 PolarHBondContact O-N 3.38Å; Q223-Q225 PolarHBondContact O-N 2.95Å; Q223-Q225 VanDerWaalsContact O-N 3.14Å
226G60.1Low61.2Low65 Ų65103.2 Ų103.267%0.6754%0.541SS*.THydrogen-bonded Turntrans-142.731.3175.900000115.7Q223 A224Q223-G226 PolarHBondContact O-N 2.91Å; A224-G226 PolarHBondContact O-N 3.41Å; A224-G226 VanDerWaalsContact O-N 3.14Å
227V52.6Low61.1Low38 Ų38105.8 Ų105.823%0.2355%0.552CS.*  trans-97.4125-172.81730000113.9Q223 Q231 I232Q223-V227 VanDerWaalsContact O-CG2 3.31Å; Q223-V227 WeakPolarHBondContact O-CG2 3.28Å; V227-Q231 HydrophobicContact CG1-CB 3.81Å; V227-I232 HydrophobicContact CG1-CD1 4.42Å; V227-I232 HydrophobicContact CG1-CG1 3.74Å
228N62.2Low61Low137 Ų137108.1 Ų108.173%0.73356%0.558SS**  trans-87.8160160.9-86.4-16.8000111.7E230 Q231N228-E230 PolarHBondContact O-N 2.93Å; N228-Q231 PolarHBondContact O-N 3.28Å; N228-Q231 VanDerWaalsContact O-N 3.1Å
229A56.7Low60.5Low77 Ų77104.8 Ų104.864%0.63655%0.552SS**Hα-helixtrans-47.6-30.8-170.200000116.4Q231 I232 T233A229-Q231 PolarHBondContact O-N 2.85Å; A229-I232 PolarHBondContact O-N 3.49Å; A229-T233 PolarHBondContact O-N 3.47Å; A229-T233 PolarHBondContact O-OG1 3.34Å
230E59.4Low60.4Low168 Ų168103.4 Ų103.479%0.78555%0.551SS**Hα-helixtrans-65.7-31.7-179.4-71.6-179.6159.200114.3N228 T233 S234N228-E230 PolarHBondContact O-N 2.93Å; E230-T233 PolarHBondContact O-N 3.43Å; E230-T233 PolarHBondContact O-OG1 3Å; E230-S234 PolarHBondContact O-N 2.81Å
231Q57.4Low60.7Low98 Ų98105.2 Ų105.246%0.45856%0.56SS.*Hα-helixtrans-82.3-22.3-179.1-49.8177.8-1.200112V227 N228 A229 T233 S234 L235V227-Q231 HydrophobicContact CG1-CB 3.81Å; N228-Q231 PolarHBondContact O-N 3.28Å; N228-Q231 VanDerWaalsContact O-N 3.1Å; A229-Q231 PolarHBondContact O-N 2.85Å; Q231-T233 VanDerWaalsContact C-N 3.29Å; Q231-S234 PolarHBondContact O-N 3.49Å; Q231-S234 PolarHBondContact O-OG 2.85Å; Q231-L235 WeakPolarHBondContact O-CB 3.28Å; Q231-L235 PolarHBondContact O-N 2.82Å
232I57.7Low60.8Low109 Ų109100.8 Ų100.856%0.55955%0.548SS*.Hα-helixtrans-66.3-37.7169.7-61-176.6000109.7V227 A229 R236V227-I232 HydrophobicContact CG1-CD1 4.42Å; V227-I232 HydrophobicContact CG1-CG1 3.74Å; A229-I232 PolarHBondContact O-N 3.49Å; I232-R236 WeakPolarHBondContact O-CB 3.41Å; I232-R236 PolarHBondContact O-N 3.5Å
233T61.2Low61Low80 Ų8099.4 Ų99.449%0.49155%0.545SS..Hα-helixtrans-65.9-43.7176-23.10000111.4A229 E230 Q231 R236 E237A229-T233 PolarHBondContact O-N 3.47Å; A229-T233 PolarHBondContact O-OG1 3.34Å; E230-T233 PolarHBondContact O-N 3.43Å; E230-T233 PolarHBondContact O-OG1 3Å; Q231-T233 VanDerWaalsContact C-N 3.29Å; T233-R236 WeakPolarHBondContact O-CB 3.19Å; T233-R236 PolarHBondContact O-N 2.94Å; T233-E237 PolarHBondContact O-N 3.27Å
234S63.5Low61.6Low49 Ų49100.5 Ų100.534%0.34355%0.55SS.*Hα-helixtrans-70.6-31.9178.9770000113.5E230 Q231 K238E230-S234 PolarHBondContact O-N 2.81Å; Q231-S234 PolarHBondContact O-N 3.49Å; Q231-S234 PolarHBondContact O-OG 2.85Å; S234-K238 WeakPolarHBondContact O-CG 3.3Å; S234-K238 PolarHBondContact O-N 2.98Å
235L62.1Low62.3Low77 Ų77101.9 Ų101.940%0.40355%0.547SS..Hα-helixtrans-64.7-41.4169.4-88.3158.3000111.5Q231 K238 L239Q231-L235 WeakPolarHBondContact O-CB 3.28Å; Q231-L235 PolarHBondContact O-N 2.82Å; L235-K238 PolarHBondContact O-N 3.43Å; L235-L239 WeakPolarHBondContact O-CB 3.19Å; L235-L239 WeakPolarHBondContact O-CD1 3.43Å; L235-L239 VanDerWaalsContact O-CG 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.44Å; L235-L239 PolarHBondContact O-N 3.42Å
236R59.8Low63.1Low193 Ų19398.2 Ų98.273%0.72854%0.535SS*.Hα-helixtrans-64.7-41177-162.1178.7-172.9179.41.9111.7I232 T233 K238 L239 T240I232-R236 WeakPolarHBondContact O-CB 3.41Å; I232-R236 PolarHBondContact O-N 3.5Å; T233-R236 WeakPolarHBondContact O-CB 3.19Å; T233-R236 PolarHBondContact O-N 2.94Å; R236-K238 VanDerWaalsContact C-N 3.35Å; R236-L239 PolarHBondContact O-N 2.87Å; R236-T240 PolarHBondContact O-N 3.27Å; R236-T240 PolarHBondContact O-OG1 2.68Å
237E68.6Low63.4Low142 Ų142102.6 Ų102.666%0.66454%0.536SS*.Hα-helixtrans-63.2-39.2174.2-76.7179.6167.800112.2T233 P241T233-E237 PolarHBondContact O-N 3.27Å; E237-P241 WeakPolarHBondContact O-CD 3.16Å
238K65.6Low64.3Low149 Ų149107.7 Ų107.765%0.64856%0.557SS**Hα-helixtrans-75.1-29.9177.6-72.9-179.7179.9-177.40114.2S234 L235 R236 P241S234-K238 WeakPolarHBondContact O-CG 3.3Å; S234-K238 PolarHBondContact O-N 2.98Å; L235-K238 PolarHBondContact O-N 3.43Å; R236-K238 VanDerWaalsContact C-N 3.35Å; K238-P241 WeakPolarHBondContact O-CD 3.46Å; K238-P241 WeakPolarHBondContact O-CG 3.48Å
239L61.2Low64.4Low89 Ų89106.7 Ų106.747%0.46655%0.547SS..Hα-helixtrans-77.7-23.5178.9-75.1166.3000113.2L235 R236 L242 G243L235-L239 WeakPolarHBondContact O-CB 3.19Å; L235-L239 WeakPolarHBondContact O-CD1 3.43Å; L235-L239 VanDerWaalsContact O-CG 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.44Å; L235-L239 PolarHBondContact O-N 3.42Å; R236-L239 PolarHBondContact O-N 2.87Å; L239-L242 PolarHBondContact O-N 2.86Å; L239-G243 PolarHBondContact O-N 3.4Å
240T68Low64.8Low83 Ų83108.3 Ų108.351%0.50954%0.544SS..Hα-helixtrans-60.3-52178.9-52.40000112.6R236 L242 G243 E244R236-T240 PolarHBondContact O-N 3.27Å; R236-T240 PolarHBondContact O-OG1 2.68Å; T240-L242 PolarHBondContact O-N 2.79Å; T240-G243 PolarHBondContact O-N 3.38Å; T240-E244 PolarHBondContact O-N 3.34Å
241P71.9Confident65.2Low71 Ų71106.5 Ų106.546%0.46154%0.535SS..Hα-helixtrans-69.4-31.9178.126.9-35.1000113.2E237 K238 G243 E244 E245E237-P241 WeakPolarHBondContact O-CD 3.16Å; K238-P241 WeakPolarHBondContact O-CD 3.46Å; K238-P241 WeakPolarHBondContact O-CG 3.48Å; P241-G243 VanDerWaalsContact C-N 3.35Å; P241-E244 PolarHBondContact O-N 2.8Å; P241-E245 PolarHBondContact O-N 3.48Å
242L61.3Low65.7Low83 Ų83104.3 Ų104.344%0.43553%0.534SS..Hα-helixtrans-65.3-37.9175-83160.2000112L239 T240 E244 E245 V246L239-L242 PolarHBondContact O-N 2.86Å; T240-L242 PolarHBondContact O-N 2.79Å; L242-E244 VanDerWaalsContact C-N 3.33Å; L242-E245 PolarHBondContact O-N 2.76Å; L242-V246 WeakPolarHBondContact O-CB 3.48Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.28Å; L242-V246 PolarHBondContact O-N 3.41Å
243G66.3Low65.8Low44 Ų44103.8 Ų103.845%0.45453%0.53SS..Hα-helixtrans-64.7-36.7174.100000112.7L239 T240 P241 K247L239-G243 PolarHBondContact O-N 3.4Å; T240-G243 PolarHBondContact O-N 3.38Å; P241-G243 VanDerWaalsContact C-N 3.35Å; G243-K247 WeakPolarHBondContact O-CB 3.33Å; G243-K247 PolarHBondContact O-N 3.22Å
244E71.4Confident65.8Low134 Ų134102.7 Ų102.763%0.62653%0.529SS*.Hα-helixtrans-68.3-44.1174.1-70.2-173.615900111.7T240 P241 L242 V246 K247 E248T240-E244 PolarHBondContact O-N 3.34Å; P241-E244 PolarHBondContact O-N 2.8Å; L242-E244 VanDerWaalsContact C-N 3.33Å; E244-V246 PolarHBondContact O-N 2.8Å; E244-K247 WeakPolarHBondContact O-CB 3.25Å; E244-K247 PolarHBondContact O-N 3.44Å; E244-E248 WeakPolarHBondContact O-CB 3.22Å; E244-E248 PolarHBondContact O-N 3.45Å
245E68.2Low66Low88 Ų88103.3 Ų103.341%0.41153%0.531SS..Hα-helixtrans-63.8-39.7178.2-162.5-171.4161.900112.1P241 L242 E248 K249P241-E245 PolarHBondContact O-N 3.48Å; L242-E245 PolarHBondContact O-N 2.76Å; E245-E248 PolarHBondContact O-N 2.74Å; E245-K249 WeakPolarHBondContact O-CB 3.35Å; E245-K249 WeakPolarHBondContact O-CG 3.35Å; E245-K249 PolarHBondContact O-N 3.29Å; E245-K249 VanDerWaalsContact OE1-CE 3.3Å; E245-K249 WeakPolarHBondContact OE1-CE 3.05Å; E245-K249 IonicContact OE1-NZ 3.74Å; E245-K249 PolarHBondContact OE1-NZ 2.79Å
246V69Low66.2Low88 Ų88104.9 Ų104.953%0.53354%0.539SS..Hα-helixtrans-65.6-41.7174.51700000111.2L242 E244 E248 K249 L250L242-V246 WeakPolarHBondContact O-CB 3.48Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.28Å; L242-V246 PolarHBondContact O-N 3.41Å; E244-V246 PolarHBondContact O-N 2.8Å; V246-E248 VanDerWaalsContact C-N 3.32Å; V246-E248 PolarHBondContact O-N 3.35Å; V246-K249 PolarHBondContact O-N 3.23Å; V246-L250 HydrophobicContact CG1-CD1 4.08Å; V246-L250 WeakPolarHBondContact O-CB 3.35Å; V246-L250 PolarHBondContact O-N 2.88Å
247K67.3Low66.1Low157 Ų157100.5 Ų100.568%0.68353%0.528SS*.Hα-helixtrans-63.7-40.2176.9-171.9179.8179.3-175.70111.3G243 E244 L250 H251G243-K247 WeakPolarHBondContact O-CB 3.33Å; G243-K247 PolarHBondContact O-N 3.22Å; E244-K247 WeakPolarHBondContact O-CB 3.25Å; E244-K247 PolarHBondContact O-N 3.44Å; K247-L250 PolarHBondContact O-N 3.46Å; K247-H251 WeakPolarHBondContact O-CB 3.41Å; K247-H251 PolarHBondContact O-N 3.35Å
248E71.6Confident65.6Low145 Ų145101 Ų10168%0.67853%0.529SS*.Hα-helixtrans-67-44178.1-159.3175.4-159.200111.6E244 E245 V246 L250 H251 A252E244-E248 WeakPolarHBondContact O-CB 3.22Å; E244-E248 PolarHBondContact O-N 3.45Å; E245-E248 PolarHBondContact O-N 2.74Å; V246-E248 VanDerWaalsContact C-N 3.32Å; V246-E248 PolarHBondContact O-N 3.35Å; E248-L250 PolarHBondContact O-N 2.99Å; E248-H251 PolarHBondContact O-N 3.2Å; E248-A252 PolarHBondContact O-N 3.22Å
249K64.4Low65.2Low117 Ų11798.2 Ų98.251%0.50952%0.521SS..Hα-helixtrans-64.8-38.9175.2-74.1179.6-175.2166.80112.9E245 V246 A252 M253E245-K249 WeakPolarHBondContact O-CB 3.35Å; E245-K249 WeakPolarHBondContact O-CG 3.35Å; E245-K249 PolarHBondContact O-N 3.29Å; E245-K249 VanDerWaalsContact OE1-CE 3.3Å; E245-K249 WeakPolarHBondContact OE1-CE 3.05Å; E245-K249 IonicContact OE1-NZ 3.74Å; E245-K249 PolarHBondContact OE1-NZ 2.79Å; V246-K249 PolarHBondContact O-N 3.23Å; K249-A252 PolarHBondContact O-N 2.9Å; K249-M253 PolarHBondContact O-N 3.45Å
250L64.4Low64.7Low111 Ų11198.6 Ų98.658%0.58153%0.527SS*.Hα-helixtrans-65.2-39.2173.3-83.3168.3000111.9V246 K247 E248 A252 M253 A254V246-L250 HydrophobicContact CG1-CD1 4.08Å; V246-L250 WeakPolarHBondContact O-CB 3.35Å; V246-L250 PolarHBondContact O-N 2.88Å; K247-L250 PolarHBondContact O-N 3.46Å; E248-L250 PolarHBondContact O-N 2.99Å; L250-A252 VanDerWaalsContact C-N 3.35Å; L250-M253 PolarHBondContact O-N 3.27Å; L250-A254 PolarHBondContact O-N 3.48Å
251H68.5Low63.8Low129 Ų129102.7 Ų102.760%0.59754%0.538SS*.Hα-helixtrans-65.9-39.1176.2-155.9-54.1000111.6K247 E248 A254 V255K247-H251 WeakPolarHBondContact O-CB 3.41Å; K247-H251 PolarHBondContact O-N 3.35Å; E248-H251 PolarHBondContact O-N 3.2Å; H251-A254 PolarHBondContact O-N 3.01Å; H251-V255 WeakPolarHBondContact O-CG2 3.31Å; H251-V255 PolarHBondContact O-N 3.44Å; H251-V255 VanDerWaalsContact O-N 3.09Å
252A67.6Low62.7Low53 Ų53103.1 Ų103.144%0.43854%0.542SS..Hα-helixtrans-62.8-42.8173.900000111.9E248 K249 L250 V255 I256E248-A252 PolarHBondContact O-N 3.22Å; K249-A252 PolarHBondContact O-N 2.9Å; L250-A252 VanDerWaalsContact C-N 3.35Å; A252-V255 PolarHBondContact O-N 2.94Å; A252-I256 WeakPolarHBondContact O-CG1 3.47Å; A252-I256 PolarHBondContact O-N 3.14Å; A252-I256 VanDerWaalsContact O-N 3.08Å
253M60.8Low61.9Low97 Ų97107.8 Ų107.848%0.47856%0.559SS.*Hα-helixtrans-63-41.6174.7-75.8-173.816800112.6L202 K249 L250 V255 I256 I257L202-M253 HydrophobicContact CD1-CE 3.93Å; K249-M253 PolarHBondContact O-N 3.45Å; L250-M253 PolarHBondContact O-N 3.27Å; M253-V255 VanDerWaalsContact C-N 3.31Å; M253-V255 PolarHBondContact O-N 3.14Å; M253-I256 PolarHBondContact O-N 3.41Å; M253-I257 WeakPolarHBondContact O-CG1 3.43Å; M253-I257 PolarHBondContact O-N 2.84Å
254A61.1Low60.6Low57 Ų57116.1 Ų116.147%0.47159%0.594SS.*Hα-helixtrans-63-36.9177.500000112.5L250 H251 K258L250-A254 PolarHBondContact O-N 3.48Å; H251-A254 PolarHBondContact O-N 3.01Å; A254-K258 WeakPolarHBondContact O-CB 3.45Å; A254-K258 PolarHBondContact O-N 3.42Å
255V66.4Low60Low62 Ų62115.3 Ų115.338%0.37659%0.592SS.*Hα-helixtrans-67.1-45175.1172.20000111.2H251 A252 M253 I257 K258 D259H251-V255 WeakPolarHBondContact O-CG2 3.31Å; H251-V255 PolarHBondContact O-N 3.44Å; H251-V255 VanDerWaalsContact O-N 3.09Å; A252-V255 PolarHBondContact O-N 2.94Å; M253-V255 VanDerWaalsContact C-N 3.31Å; M253-V255 PolarHBondContact O-N 3.14Å; V255-I257 VanDerWaalsContact C-N 3.3Å; V255-I257 PolarHBondContact O-N 3.15Å; V255-K258 PolarHBondContact O-N 3.03Å; V255-D259 PolarHBondContact O-N 3.43Å
256I66Low59.6Low110 Ų110116.7 Ų116.756%0.56460%0.601SS**Hα-helixtrans-60.6-41.3177.9-67.4165.4000111.3A252 M253 T260A252-I256 WeakPolarHBondContact O-CG1 3.47Å; A252-I256 PolarHBondContact O-N 3.14Å; A252-I256 VanDerWaalsContact O-N 3.08Å; M253-I256 PolarHBondContact O-N 3.41Å; I256-T260 WeakPolarHBondContact O-CB 3.4Å; I256-T260 PolarHBondContact O-N 3.39Å; I256-T260 VanDerWaalsContact O-N 3.1Å; I256-T260 PolarHBondContact O-OG1 2.98Å
257I58Low59.1Low101 Ų101118.3 Ų118.352%0.51861%0.605SS.*Hα-helixtrans-64-48.4175.9-67.4168.2000110M253 V255 D259 T260 F261M253-I257 WeakPolarHBondContact O-CG1 3.43Å; M253-I257 PolarHBondContact O-N 2.84Å; V255-I257 VanDerWaalsContact C-N 3.3Å; V255-I257 PolarHBondContact O-N 3.15Å; I257-D259 VanDerWaalsContact C-N 3.34Å; I257-D259 PolarHBondContact O-N 2.99Å; I257-T260 PolarHBondContact O-N 3.46Å; I257-F261 HydrophobicContact CG2-CD2 3.94Å; I257-F261 HydrophobicContact CG2-CE2 3.98Å; I257-F261 VanDerWaalsContact O-CD2 3.3Å; I257-F261 WeakPolarHBondContact O-CD2 3.44Å; I257-F261 PolarHBondContact O-N 3.45Å
258K58.5Low58.6Low154 Ų154116 Ų11667%0.6760%0.601SS**Hα-helixtrans-58.8-42.5178.7-174.4-179.1176.1-176.50112.8A254 V255 T260 F261 S262A254-K258 WeakPolarHBondContact O-CB 3.45Å; A254-K258 PolarHBondContact O-N 3.42Å; V255-K258 PolarHBondContact O-N 3.03Å; K258-T260 VanDerWaalsContact C-N 3.3Å; K258-T260 PolarHBondContact O-N 2.7Å; K258-F261 PolarHBondContact O-N 3.05Å; K258-S262 PolarHBondContact O-N 2.93Å; K258-S262 VanDerWaalsContact O-N 3.13Å; K258-S262 PolarHBondContact O-OG 3.1Å
259D57.3Low57.8Low90 Ų90114.2 Ų114.248%0.48160%0.596SS.*Hα-helixtrans-71.5-25.1179.6-77.7-9.2000113.2V255 I257 S262V255-D259 PolarHBondContact O-N 3.43Å; I257-D259 VanDerWaalsContact C-N 3.34Å; I257-D259 PolarHBondContact O-N 2.99Å; D259-S262 WeakPolarHBondContact CA-OG 3.37Å; D259-S262 PolarHBondContact O-OG 3.25Å
260T50.3Low57.3Low96 Ų96114 Ų11459%0.58960%0.602SS**Hα-helixtrans-74.7-29.4173.9-54.70000111.6I256 I257 K258I256-T260 WeakPolarHBondContact O-CB 3.4Å; I256-T260 PolarHBondContact O-N 3.39Å; I256-T260 VanDerWaalsContact O-N 3.1Å; I256-T260 PolarHBondContact O-OG1 2.98Å; I257-T260 PolarHBondContact O-N 3.46Å; K258-T260 VanDerWaalsContact C-N 3.3Å; K258-T260 PolarHBondContact O-N 2.7Å
261F48.8Very low56.8Low169 Ų169114.2 Ų114.274%0.74160%0.603SS**Hα-helixtrans-89.9-13.3177.9-80.9-77.9000114.6I257 K258I257-F261 HydrophobicContact CG2-CD2 3.94Å; I257-F261 HydrophobicContact CG2-CE2 3.98Å; I257-F261 VanDerWaalsContact O-CD2 3.3Å; I257-F261 WeakPolarHBondContact O-CD2 3.44Å; I257-F261 PolarHBondContact O-N 3.45Å; K258-F261 PolarHBondContact O-N 3.05Å
262S48.9Very low55.9Low80 Ų80113.1 Ų113.156%0.55960%0.604SS**SBendtrans-96.2-7.7179.9650000114.6K258 D259K258-S262 PolarHBondContact O-N 2.93Å; K258-S262 VanDerWaalsContact O-N 3.13Å; K258-S262 PolarHBondContact O-OG 3.1Å; D259-S262 WeakPolarHBondContact CA-OG 3.37Å; D259-S262 PolarHBondContact O-OG 3.25Å
263K45.3Very low55Low182 Ų182118.1 Ų118.179%0.79162%0.617SS**  trans-102.511.3-178.2-94.9-177.9176.5175.60115.2
264N38Very low54.4Low219 Ų219120 Ų120100%1.17163%0.63SS**  trans-122.40167.5-78.4-19.2000110.3

Retrieved 264 of 264 residues in 142.2 ms (Link to these results)