G4VNZ6_SCHMA Loading...

Vacuolar protein sorting-associated protein 72 homolog

AlphaFold DB , UniProt , Accession G4VNZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 392 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
1M52.3Low75.8Confident199 Ų199148.4 Ų148.498%0.9875%0.745SS**  0139.90-68.3-61.5-178.500107.9I3M1-I3 PolarHBondContact O-N 2.9Å
2P61.9Low76.8Confident82 Ų82146.2 Ų146.253%0.53274%0.737SS.*  trans-66.7131.6178.425.5-28.5000109.5S4 V5P2-S4 PolarHBondContact O-N 3.03Å; P2-V5 HydrophobicContact CG-CG2 3.99Å; P2-V5 PolarHBondContact O-N 3.12Å
3I67.5Low77.7Confident157 Ų157139.9 Ų139.981%0.80572%0.722SS**THydrogen-bonded Turntrans-50.7-19.7-177.2-71.7161.4000113.3M1 V5M1-I3 PolarHBondContact O-N 2.9Å; I3-V5 VanDerWaalsContact C-N 3.25Å; I3-V5 PolarHBondContact O-N 3.45Å
4S71.2Confident78.6Confident84 Ų84133.3 Ų133.359%0.58771%0.705SS**THydrogen-bonded Turntrans-66.5-20.3175.652.90000114.7P2P2-S4 PolarHBondContact O-N 3.03Å
5V77.1Confident79.3Confident91 Ų91130.3 Ų130.355%0.55271%0.706SS**SBendtrans-86.3-32.9-177.4-177.60000111.9P2 I3 R7P2-V5 HydrophobicContact CG-CG2 3.99Å; P2-V5 PolarHBondContact O-N 3.12Å; I3-V5 VanDerWaalsContact C-N 3.25Å; I3-V5 PolarHBondContact O-N 3.45Å; V5-R7 VanDerWaalsContact C-N 3.34Å; V5-R7 PolarHBondContact O-N 3.12Å
6D81.6Confident79.9Confident126 Ų126134.7 Ų134.767%0.67471%0.709SS**SBendtrans-87.1-0.6-171.5-57.1-32.5000113.7
7R83Confident80.3Confident186 Ų186133 Ų13370%0.70270%0.698SS**SBendtrans-81.8139.2178.878.5179.5-175-174.9-1.3112.2V5 R9V5-R7 VanDerWaalsContact C-N 3.34Å; V5-R7 PolarHBondContact O-N 3.12Å; R7-R9 PolarHBondContact O-N 3.07Å
8E80.3Confident80.5Confident189 Ų189129.4 Ų129.488%0.88369%0.691SS**PPolyproline II helixtrans-59.7130.5175.2-153.2175-167.800111.2
9R85.4Confident80.8Confident211 Ų211131.5 Ų131.580%0.79669%0.688SS**PPolyproline II helixtrans-88.4134.8-176.5-70-176.7177.2171.1-1.2111R7R7-R9 PolarHBondContact O-N 3.07Å
10R85.4Confident81Confident191 Ų191129.6 Ų129.672%0.72168%0.678SS**PPolyproline II helixtrans-71.3129.7175.1-67.9-179.3-78.2176.1-3.6110.9N12 A13R10-N12 PolarHBondContact O-N 2.8Å; R10-A13 HydrophobicContact CB-CB 4.05Å; R10-A13 WeakPolarHBondContact O-CB 3.46Å; R10-A13 PolarHBondContact O-N 2.96Å; R10-A13 VanDerWaalsContact O-N 3.12Å
11A88Confident81.1Confident116 Ų116127.8 Ų127.896%0.95967%0.669SS**THydrogen-bonded Turntrans-62.6-26.4-176.800000114.5
12N87.7Confident82.3Confident122 Ų122123.4 Ų123.465%0.65265%0.65SS**THydrogen-bonded Turntrans-100.54.2179.261.2-7.6000113.5R10 G14 A15R10-N12 PolarHBondContact O-N 2.8Å; N12-G14 PolarHBondContact O-N 2.73Å; N12-A15 PolarHBondContact O-N 2.93Å
13A88.9Confident83.1Confident65 Ų65124.4 Ų124.454%0.53765%0.647SS.*THydrogen-bonded Turntrans-66.5124.4178.100000110.2R10R10-A13 HydrophobicContact CB-CB 4.05Å; R10-A13 WeakPolarHBondContact O-CB 3.46Å; R10-A13 PolarHBondContact O-N 2.96Å; R10-A13 VanDerWaalsContact O-N 3.12Å
14G90Very high83.3Confident47 Ų47123.6 Ų123.649%0.48564%0.64SS.*THydrogen-bonded Turntrans79.411.7177.300000115.3N12 R16 M17N12-G14 PolarHBondContact O-N 2.73Å; G14-R16 PolarHBondContact O-N 3.22Å; G14-M17 WeakPolarHBondContact O-CB 3.41Å; G14-M17 PolarHBondContact O-N 2.85Å
15A89.1Confident83.2Confident88 Ų88126.7 Ų126.773%0.72765%0.645SS**THydrogen-bonded Turntrans-55.5-26.6-176.900000114.6N12N12-A15 PolarHBondContact O-N 2.93Å
16R88.4Confident82.6Confident201 Ų201126.8 Ų126.876%0.75864%0.64SS**THydrogen-bonded Turntrans-109.4-2.2175.8-66.8-176.1175.9177.8-2.5114.2G14 A18 R19 L20G14-R16 PolarHBondContact O-N 3.22Å; R16-A18 VanDerWaalsContact C-N 3.33Å; R16-A18 PolarHBondContact O-N 3.14Å; R16-R19 WeakPolarHBondContact O-CB 3.41Å; R16-R19 PolarHBondContact O-N 3.18Å; R16-R19 VanDerWaalsContact O-N 3.11Å; R16-L20 PolarHBondContact O-N 3.24Å
17M87.6Confident82.1Confident106 Ų106125.1 Ų125.152%0.52263%0.631SS.*Hα-helixtrans-64.2-38.2-175.9-80.8-64.6-57.900112.2G14 R19 L20 L21G14-M17 WeakPolarHBondContact O-CB 3.41Å; G14-M17 PolarHBondContact O-N 2.85Å; M17-R19 VanDerWaalsContact C-N 3.29Å; M17-R19 PolarHBondContact O-N 3.35Å; M17-L20 PolarHBondContact O-N 3.01Å; M17-L21 WeakPolarHBondContact O-CB 3.42Å; M17-L21 WeakPolarHBondContact O-CG 3.39Å; M17-L21 PolarHBondContact O-N 3.12Å
18A83.8Confident81.9Confident69 Ų69123.6 Ų123.657%0.5763%0.632SS**Hα-helixtrans-63.5-37.4175.200000112R16 N22R16-A18 VanDerWaalsContact C-N 3.33Å; R16-A18 PolarHBondContact O-N 3.14Å; A18-N22 WeakPolarHBondContact O-CB 3.48Å; A18-N22 PolarHBondContact O-N 3.28Å; A18-N22 VanDerWaalsContact O-N 3.16Å; A18-N22 PolarHBondContact O-OD1 3Å
19R86Confident82Confident169 Ų169120.4 Ų120.464%0.63862%0.615SS**Hα-helixtrans-69-42.9175.6-178.1175.8170.5165.91.2111.4R16 M17 N22 E23R16-R19 WeakPolarHBondContact O-CB 3.41Å; R16-R19 PolarHBondContact O-N 3.18Å; R16-R19 VanDerWaalsContact O-N 3.11Å; M17-R19 VanDerWaalsContact C-N 3.29Å; M17-R19 PolarHBondContact O-N 3.35Å; R19-N22 PolarHBondContact O-N 3.45Å; R19-E23 HydrophobicContact CG-CG 4.39Å; R19-E23 IonicContact CZ-OE1 3.39Å; R19-E23 IonicContact NE-OE1 2.74Å; R19-E23 PolarHBondContact NE-OE1 3.23Å; R19-E23 IonicContact NH2-OE1 3.13Å; R19-E23 PolarHBondContact NH2-OE1 2.97Å; R19-E23 VanDerWaalsContact NH2-OE1 3.13Å; R19-E23 WeakPolarHBondContact O-CB 3.37Å; R19-E23 WeakPolarHBondContact O-CG 3.41Å; R19-E23 PolarHBondContact O-N 3.02Å
20L85.1Confident81.8Confident93 Ų93116.3 Ų116.349%0.48760%0.6SS.*Hα-helixtrans-63.1-42.2177.9-103.7166.9000112.6R16 M17 N22 E23 E24R16-L20 PolarHBondContact O-N 3.24Å; M17-L20 PolarHBondContact O-N 3.01Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-E23 PolarHBondContact O-N 3.49Å; L20-E24 PolarHBondContact O-N 3.44Å
21L83.6Confident81.7Confident91 Ų91110 Ų11048%0.47659%0.585SS.*Hα-helixtrans-64.6-39.6176-73.1169.7000111.6M17 E24M17-L21 WeakPolarHBondContact O-CB 3.42Å; M17-L21 WeakPolarHBondContact O-CG 3.39Å; M17-L21 PolarHBondContact O-N 3.12Å; L21-E24 WeakPolarHBondContact O-CB 3.48Å; L21-E24 PolarHBondContact O-N 3.22Å
22N77Confident81.3Confident108 Ų108109.9 Ų109.958%0.57857%0.569SS**Hα-helixtrans-70.1-32.8175.2-68.53.1000112.5A18 R19 L20 E24A18-N22 WeakPolarHBondContact O-CB 3.48Å; A18-N22 PolarHBondContact O-N 3.28Å; A18-N22 VanDerWaalsContact O-N 3.16Å; A18-N22 PolarHBondContact O-OD1 3Å; R19-N22 PolarHBondContact O-N 3.45Å; L20-N22 VanDerWaalsContact C-N 3.34Å; N22-E24 VanDerWaalsContact C-N 3.27Å
23E79.7Confident81.1Confident102 Ų102106.7 Ų106.748%0.47755%0.551SS.*Hα-helixtrans-74-19.6174.1-76172.1179.300112.3R19 L20 E25R19-E23 HydrophobicContact CG-CG 4.39Å; R19-E23 IonicContact CZ-OE1 3.39Å; R19-E23 IonicContact NE-OE1 2.74Å; R19-E23 PolarHBondContact NE-OE1 3.23Å; R19-E23 IonicContact NH2-OE1 3.13Å; R19-E23 PolarHBondContact NH2-OE1 2.97Å; R19-E23 VanDerWaalsContact NH2-OE1 3.13Å; R19-E23 WeakPolarHBondContact O-CB 3.37Å; R19-E23 WeakPolarHBondContact O-CG 3.41Å; R19-E23 PolarHBondContact O-N 3.02Å; L20-E23 PolarHBondContact O-N 3.49Å; E23-E25 VanDerWaalsContact C-N 3.35Å
24E71.4Confident81Confident140 Ų140113.7 Ų113.765%0.65457%0.565SS**Hα-helixtrans-71.6-30.4174.8-126.5177.6179.900112.2L20 L21 N22L20-E24 PolarHBondContact O-N 3.44Å; L21-E24 WeakPolarHBondContact O-CB 3.48Å; L21-E24 PolarHBondContact O-N 3.22Å; N22-E24 VanDerWaalsContact C-N 3.27Å
25E69.3Low80.6Confident150 Ų150114.3 Ų114.370%0.70157%0.572SS**SBendtrans-90.697.8168.7-65.3-179.9-176.400107.8E23 D27E23-E25 VanDerWaalsContact C-N 3.35Å; E25-D27 PolarHBondContact O-N 2.78Å
26E62.7Low80.4Confident93 Ų93110.8 Ų110.844%0.43554%0.544SS..  trans-54.5112.2173.1-72.5178.5172.900108.9E28 R179 T182E26-E28 VanDerWaalsContact C-N 3.29Å; E26-E28 PolarHBondContact O-N 3.14Å; E26-R179 WeakPolarHBondContact OE1-CG 3.1Å; E26-R179 IonicContact OE1-NE 3.88Å; E26-T182 PolarHBondContact OE2-OG1 2.86Å; E26-T182 VanDerWaalsContact OE2-OG1 3.11Å
27D71.3Confident80.2Confident91 Ų91108 Ų10849%0.48754%0.537SS..  trans-64.890-179.4-83.2-35000109.4E25 F29 Y30 S31E25-D27 PolarHBondContact O-N 2.78Å; D27-F29 PolarHBondContact O-N 3.04Å; D27-Y30 HydrophobicContact CB-CD2 3.61Å; D27-Y30 HydrophobicContact CB-CE2 4.49Å; D27-Y30 HydrophobicContact CB-CG 4.44Å; D27-Y30 PolarHBondContact O-N 3.5Å; D27-Y30 WeakPolarHBondContact OD2-CD2 3.36Å; D27-S31 PolarHBondContact O-N 2.94Å
28E79Confident80.1Confident154 Ų154107.6 Ų107.672%0.7254%0.541SS*.Hα-helixtrans-50.2-24.2172.8-66.8-178.9166.500112E26 S31 N32E26-E28 VanDerWaalsContact C-N 3.29Å; E26-E28 PolarHBondContact O-N 3.14Å; E28-S31 WeakPolarHBondContact CA-OG 3.42Å; E28-S31 PolarHBondContact O-OG 2.81Å; E28-S31 VanDerWaalsContact O-OG 3.13Å; E28-N32 VanDerWaalsContact O-CB 3.31Å; E28-N32 WeakPolarHBondContact O-CB 3.06Å; E28-N32 VanDerWaalsContact O-CG 3.3Å; E28-N32 PolarHBondContact O-N 2.63Å; E28-N32 PolarHBondContact O-ND2 3.02Å
29F82.5Confident80.1Confident122 Ų122113.4 Ų113.454%0.53556%0.557SS.*Hα-helixtrans-62.4-52.1172.7-175.4-88000112D27 I33D27-F29 PolarHBondContact O-N 3.04Å; F29-I33 HydrophobicContact CD1-CD1 4.12Å; F29-I33 HydrophobicContact CD2-CD1 3.26Å; F29-I33 HydrophobicContact CD2-CG1 4.41Å; F29-I33 HydrophobicContact CE1-CD1 3.97Å; F29-I33 HydrophobicContact CE2-CD1 3.1Å; F29-I33 HydrophobicContact CE2-CG1 4.49Å; F29-I33 HydrophobicContact CG-CD1 3.79Å; F29-I33 HydrophobicContact CZ-CD1 3.47Å; F29-I33 VanDerWaalsContact CZ-CD1 3.47Å; F29-I33 VanDerWaalsContact O-CB 3.26Å; F29-I33 WeakPolarHBondContact O-CB 3.38Å; F29-I33 VanDerWaalsContact O-CG1 3.27Å; F29-I33 WeakPolarHBondContact O-CG1 3.28Å; F29-I33 PolarHBondContact O-N 3.16Å
30Y81.7Confident80Confident125 Ų125111.6 Ų111.649%0.4956%0.555SS.*Hα-helixtrans-78.9-19.9-176.8-72.4-71000113.1D27 G36 F37D27-Y30 HydrophobicContact CB-CD2 3.61Å; D27-Y30 HydrophobicContact CB-CE2 4.49Å; D27-Y30 HydrophobicContact CB-CG 4.44Å; D27-Y30 PolarHBondContact O-N 3.5Å; D27-Y30 WeakPolarHBondContact OD2-CD2 3.36Å; Y30-G36 CarbonylContact O-C 3.59Å; Y30-G36 WeakPolarHBondContact O-CA 3.45Å; Y30-F37 AromaticContact CD1-CD2 3.94Å; Y30-F37 HydrophobicContact CD1-CD2 3.94Å; Y30-F37 HydrophobicContact CD1-CE2 4.24Å; Y30-F37 HydrophobicContact CD1-CG 4.4Å; Y30-F37 PolarHBondContact O-N 2.95Å
31S82Confident79.9Confident58 Ų58117.1 Ų117.141%0.40658%0.579SS.*Hα-helixtrans-78.2-27.917369.40000113.2D27 E28 G36D27-S31 PolarHBondContact O-N 2.94Å; E28-S31 WeakPolarHBondContact CA-OG 3.42Å; E28-S31 PolarHBondContact O-OG 2.81Å; E28-S31 VanDerWaalsContact O-OG 3.13Å; S31-G36 WeakPolarHBondContact O-CA 3.04Å
32N79.9Confident79.9Confident114 Ų114121.6 Ų121.661%0.6160%0.597SS**Hα-helixtrans-109.6-29.5-170.4-64.8-15.1000113.9E28E28-N32 VanDerWaalsContact O-CB 3.31Å; E28-N32 WeakPolarHBondContact O-CB 3.06Å; E28-N32 VanDerWaalsContact O-CG 3.3Å; E28-N32 PolarHBondContact O-N 2.63Å; E28-N32 PolarHBondContact O-ND2 3.02Å
33I84.4Confident80.5Confident55 Ų55122.8 Ų122.828%0.28260%0.603SS.*G310 helixtrans-80.9135.2-175.5-62.7-175.1000110.1F29 G35 G36F29-I33 HydrophobicContact CD1-CD1 4.12Å; F29-I33 HydrophobicContact CD2-CD1 3.26Å; F29-I33 HydrophobicContact CD2-CG1 4.41Å; F29-I33 HydrophobicContact CE1-CD1 3.97Å; F29-I33 HydrophobicContact CE2-CD1 3.1Å; F29-I33 HydrophobicContact CE2-CG1 4.49Å; F29-I33 HydrophobicContact CG-CD1 3.79Å; F29-I33 HydrophobicContact CZ-CD1 3.47Å; F29-I33 VanDerWaalsContact CZ-CD1 3.47Å; F29-I33 VanDerWaalsContact O-CB 3.26Å; F29-I33 WeakPolarHBondContact O-CB 3.38Å; F29-I33 VanDerWaalsContact O-CG1 3.27Å; F29-I33 WeakPolarHBondContact O-CG1 3.28Å; F29-I33 PolarHBondContact O-N 3.16Å; I33-G35 VanDerWaalsContact C-N 3.26Å; I33-G35 PolarHBondContact O-N 2.72Å; I33-G36 PolarHBondContact O-N 2.78Å
34Y86.2Confident81Confident211 Ų211121.6 Ų121.683%0.82761%0.611SS**G310 helixtrans60.823.5-177.2-49.7-55.7000115.8F37Y34-F37 AromaticContact CD2-CE2 4Å; Y34-F37 HydrophobicContact CD2-CE2 4Å; Y34-F37 HydrophobicContact CD2-CZ 4.25Å
35G82.9Confident81.9Confident61 Ų61122.2 Ų122.263%0.62962%0.619SS**G310 helixtrans96.5-6.9-177.300000113.8I33I33-G35 VanDerWaalsContact C-N 3.26Å; I33-G35 PolarHBondContact O-N 2.72Å
36G83.1Confident82.9Confident14 Ų14124.6 Ų124.614%0.14462%0.623CS.*  trans94.6136-177.900000111.4Y30 S31 I33 T38Y30-G36 CarbonylContact O-C 3.59Å; Y30-G36 WeakPolarHBondContact O-CA 3.45Å; S31-G36 WeakPolarHBondContact O-CA 3.04Å; I33-G36 PolarHBondContact O-N 2.78Å; G36-T38 PolarHBondContact O-N 3.3Å
37F86Confident84.1Confident141 Ų141128 Ų12862%0.61864%0.639SS**SBendtrans-84.726.6178.1-79.4-98.4000112.6Y30 Y34Y30-F37 AromaticContact CD1-CD2 3.94Å; Y30-F37 HydrophobicContact CD1-CD2 3.94Å; Y30-F37 HydrophobicContact CD1-CE2 4.24Å; Y30-F37 HydrophobicContact CD1-CG 4.4Å; Y30-F37 PolarHBondContact O-N 2.95Å; Y34-F37 AromaticContact CD2-CE2 4Å; Y34-F37 HydrophobicContact CD2-CE2 4Å; Y34-F37 HydrophobicContact CD2-CZ 4.25Å
38T84Confident84.7Confident98 Ų98128.4 Ų128.460%0.60165%0.649SS**SBendtrans-84.5139.3174.747.20000109.9G36 E40G36-T38 PolarHBondContact O-N 3.3Å; T38-E40 PolarHBondContact O-N 2.84Å
39E83.9Confident85Confident192 Ų192129.4 Ų129.490%0.89765%0.653SS**PPolyproline II helixtrans-63.2120.9173.9-65.3178.4174.800109.4
40E84.7Confident84.8Confident130 Ų130128.9 Ų128.961%0.60767%0.665SS**PPolyproline II helixtrans-87.6140.4175.6-62.3-172.8167.800109.8T38 E42 D43T38-E40 PolarHBondContact O-N 2.84Å; E40-E42 PolarHBondContact O-N 3.17Å; E40-D43 HydrophobicContact CB-CB 4.39Å; E40-D43 PolarHBondContact O-N 2.87Å
41E82.6Confident84.4Confident209 Ų209128.5 Ų128.598%0.97768%0.68SS**THydrogen-bonded Turntrans-62.6-16.3-176.2-65.3-177.7173.300113.6
42E84.3Confident84.2Confident186 Ų186132.1 Ų132.187%0.86970%0.7SS**THydrogen-bonded Turntrans-119.628.8-179.8-64.3-176.1170.400112.8E40 A44E40-E42 PolarHBondContact O-N 3.17Å; E42-A44 PolarHBondContact O-N 3.21Å
43D89.4Confident84.2Confident132 Ų132135 Ų13571%0.70671%0.71SS**  trans-83.291.9176.3-168.119.4000111.7E40E40-D43 HydrophobicContact CB-CB 4.39Å; E40-D43 PolarHBondContact O-N 2.87Å
44A89.2Confident84.1Confident77 Ų77139.3 Ų139.364%0.63673%0.733SS**PPolyproline II helixtrans-78.2147.9175.300000111.8E42 Y46E42-A44 PolarHBondContact O-N 3.21Å; A44-Y46 PolarHBondContact O-N 2.84Å
45D90.2Very high83.8Confident153 Ų153135.2 Ų135.282%0.81873%0.73SS**PPolyproline II helixtrans-50.3134.4176.5-72.3-31.6000112.1Q47D45-Q47 PolarHBondContact O-N 3.07Å; D45-Q47 VanDerWaalsContact O-N 3.17Å
46Y91Very high83.7Confident200 Ų200137.2 Ų137.278%0.78473%0.725SS**PPolyproline II helixtrans-54120.5-179.7175.1-99.2000112A44A44-Y46 PolarHBondContact O-N 2.84Å
47Q87.7Confident83.7Confident166 Ų166142.2 Ų142.278%0.77675%0.749SS**PPolyproline II helixtrans-96.9117.9171.2-62.5-175600108.8D45 E49D45-Q47 PolarHBondContact O-N 3.07Å; D45-Q47 VanDerWaalsContact O-N 3.17Å; Q47-E49 PolarHBondContact O-N 3.44Å; Q47-E49 VanDerWaalsContact O-N 3.16Å
48S84.9Confident83.4Confident99 Ų99140.9 Ų140.969%0.69276%0.757SS**PPolyproline II helixtrans-65.6116.5175.759.40000109.7
49E83.7Confident83.2Confident174 Ų174142 Ų14281%0.81376%0.759SS**PPolyproline II helixtrans-69.4145.7167.1-62.9-175.5171.400109.4Q47 S51Q47-E49 PolarHBondContact O-N 3.44Å; Q47-E49 VanDerWaalsContact O-N 3.16Å; E49-S51 PolarHBondContact O-N 3.27Å; E49-S51 VanDerWaalsContact O-N 3.17Å
50S78.5Confident82.8Confident112 Ų112140.6 Ų140.678%0.78375%0.75SS**PPolyproline II helixtrans-61.2120.6171.752.60000108.4V52S50-V52 PolarHBondContact O-N 2.96Å; S50-V52 VanDerWaalsContact O-N 3.14Å
51S74.6Confident82.1Confident116 Ų116138.3 Ų138.381%0.81175%0.754SS**PPolyproline II helixtrans-55.5120.7177.157.50000109.6E49E49-S51 PolarHBondContact O-N 3.27Å; E49-S51 VanDerWaalsContact O-N 3.17Å
52V78Confident81.3Confident134 Ų134133.3 Ų133.381%0.81273%0.734SS**PPolyproline II helixtrans-62.2135.9168.1-1770000107.4S50 D54S50-V52 PolarHBondContact O-N 2.96Å; S50-V52 VanDerWaalsContact O-N 3.14Å; V52-D54 PolarHBondContact O-N 3.17Å
53E79Confident80.2Confident175 Ų175133.1 Ų133.182%0.81873%0.733SS**PPolyproline II helixtrans-55.2124173.9-84.2171.1153.100109.4V55E53-V55 PolarHBondContact O-N 2.9Å; E53-V55 VanDerWaalsContact O-N 3.09Å
54D81.5Confident78.7Confident146 Ų146131.6 Ų131.678%0.78173%0.733SS**  trans-69.2103.2-179.2-168.219.9000109V52 I56V52-D54 PolarHBondContact O-N 3.17Å; D54-I56 PolarHBondContact O-N 3.35Å
55V81.5Confident77Confident125 Ų125133.3 Ų133.376%0.75874%0.74SS**  trans-81.8105.8176.3-178.90000107.6E53E53-V55 PolarHBondContact O-N 2.9Å; E53-V55 VanDerWaalsContact O-N 3.09Å
56I80.3Confident75.1Confident103 Ų103128.6 Ų128.653%0.52873%0.727SS.*  trans-71.3128.7177.1-64.9174.6000109.3D54 F60D54-I56 PolarHBondContact O-N 3.35Å; I56-F60 HydrophobicContact CG2-CB 3.42Å; I56-F60 VanDerWaalsContact CG2-CB 3.42Å; I56-F60 HydrophobicContact CG2-CD1 3.3Å; I56-F60 HydrophobicContact CG2-CE1 4.21Å; I56-F60 HydrophobicContact CG2-CG 3.55Å
57D83.3Confident73Confident119 Ų119124.4 Ų124.464%0.63673%0.727SS**  trans-61.3148.6176.5-74.9-30.4000111.4D59 F60D57-D59 WeakPolarHBondContact CB-OD1 3.35Å; D57-D59 PolarHBondContact O-N 3.04Å; D57-D59 VanDerWaalsContact O-N 3.13Å; D57-F60 WeakPolarHBondContact O-CB 3.38Å; D57-F60 PolarHBondContact O-N 3.41Å
58S79.3Confident70.6Confident113 Ų113124.5 Ų124.579%0.7973%0.733SS**THydrogen-bonded Turntrans-64.3-17.3-175.949.30000114.4
59D79Confident68.5Low122 Ų122127.9 Ų127.965%0.65274%0.738SS**THydrogen-bonded Turntrans-81.3-17.3174.569-23.8000113D57 A61D57-D59 WeakPolarHBondContact CB-OD1 3.35Å; D57-D59 PolarHBondContact O-N 3.04Å; D57-D59 VanDerWaalsContact O-N 3.13Å; D59-A61 VanDerWaalsContact C-N 3.35Å
60F76Confident66.6Low161 Ų161127.1 Ų127.171%0.70674%0.74SS**THydrogen-bonded Turntrans-79.1-22173-168.7-83.8000112I56 D57I56-F60 HydrophobicContact CG2-CB 3.42Å; I56-F60 VanDerWaalsContact CG2-CB 3.42Å; I56-F60 HydrophobicContact CG2-CD1 3.3Å; I56-F60 HydrophobicContact CG2-CE1 4.21Å; I56-F60 HydrophobicContact CG2-CG 3.55Å; D57-F60 WeakPolarHBondContact O-CB 3.38Å; D57-F60 PolarHBondContact O-N 3.41Å
61A69.5Low64.7Low82 Ų82128.7 Ų128.768%0.67874%0.739SS**SBendtrans-89.4-4.9175.100000113.4D59 E63D59-A61 VanDerWaalsContact C-N 3.35Å; A61-E63 PolarHBondContact O-N 3.34Å
62D67.3Low63Low105 Ų105127.9 Ų127.956%0.56174%0.739SS**  trans-83.8112.6179.6-153.75.6000109.6S64D62-S64 PolarHBondContact O-N 2.85Å; D62-S64 WeakPolarHBondContact OD2-CB 3.35Å
63E60.2Low61.1Low181 Ų181127 Ų12785%0.84673%0.734SS**  trans-69.314.5172.5-77.5-169.4157.600112.8A61 S65 G66A61-E63 PolarHBondContact O-N 3.34Å; E63-S65 PolarHBondContact O-N 2.62Å; E63-G66 PolarHBondContact O-N 3.27Å; E63-G66 VanDerWaalsContact O-N 3.15Å
64S57.8Low59.1Low101 Ų101122.3 Ų122.371%0.70673%0.726SS**THydrogen-bonded Turntrans-71.623.6-177.9-160.90000114.8D62D62-S64 PolarHBondContact O-N 2.85Å; D62-S64 WeakPolarHBondContact OD2-CB 3.35Å
65S53.9Low56.8Low113 Ų113123 Ų12379%0.7973%0.728SS**THydrogen-bonded Turntrans-135.215.9168.563.70000114.3E63E63-S65 PolarHBondContact O-N 2.62Å
66G51Low54.6Low53 Ų53121.4 Ų121.455%0.54673%0.728SS.*  trans-93.694.3161.900000109.7E63 D68E63-G66 PolarHBondContact O-N 3.27Å; E63-G66 VanDerWaalsContact O-N 3.15Å; G66-D68 PolarHBondContact O-N 3.33Å
67S46.3Very low52.4Low113 Ų113121.9 Ų121.979%0.7974%0.74SS**  trans-60.6101.6164-43.40000108.2E69S67-E69 VanDerWaalsContact C-N 3.26Å; S67-E69 PolarHBondContact O-N 2.86Å
68D36.1Very low50Low168 Ų168123.5 Ų123.590%0.89875%0.749SS**  trans-66.385.5168.1-77.4-37.7000109.3G66G66-D68 PolarHBondContact O-N 3.33Å
69E41.8Very low47.9Very low169 Ų169124.8 Ų124.879%0.7975%0.747SS**  trans-11588.8156.9-71.2-172.7174.500106.8S67S67-E69 VanDerWaalsContact C-N 3.26Å; S67-E69 PolarHBondContact O-N 2.86Å
70D44.4Very low45.9Very low159 Ų159125.7 Ų125.785%0.8575%0.752SS**  172.9113117.6-81.7-27.9000111.6A72D70-A72 PolarHBondContact O-N 3.48Å
71D37.7Very low44Very low144 Ų144125.4 Ų125.477%0.7775%0.753SS**  trans-51.8116171.6-176.116.9000112.4
72A39.6Very low42.2Very low99 Ų99127.6 Ų127.682%0.81875%0.753SS**  trans-95.688.7169.700000110.1D70 A74D70-A72 PolarHBondContact O-N 3.48Å; A72-A74 PolarHBondContact O-N 3.26Å
73T37.7Very low40.7Very low115 Ų115131.7 Ų131.771%0.70677%0.766SS**  trans-70.6123.1160.748.60000111.1
74A36.7Very low39.6Very low78 Ų78135.4 Ų135.465%0.64577%0.772SS**  trans93.2109.9133.600000121.7A72A72-A74 PolarHBondContact O-N 3.26Å
75I34.5Very low38.7Very low160 Ų160138.9 Ų138.982%0.82178%0.777SS**  78.4103.2124.1-52.4163.8000118.9
76A33.3Very low38.2Very low91 Ų91143.1 Ų143.175%0.75278%0.781SS**  trans33.9120.9133.200000121.2
77S34.9Very low38Very low114 Ų114152.4 Ų152.480%0.79780%0.8SS**  176138.7103.2610000112.7
78D33.1Very low37.9Very low152 Ų152156.2 Ų156.281%0.81381%0.805SS**  trans27.6145.3154.7-73.9-27.2000125.1
79D35.7Very low38.3Very low140 Ų140153.3 Ų153.375%0.74980%0.798SS**  trans101119.6148.1-78.6-21.3000121.9
80D37.4Very low38.4Very low141 Ų141153.7 Ų153.775%0.75481%0.806SS**  trans78.5119.7142.8-77.5-31.8000124.1
81E34.8Very low38.8Very low155 Ų155156.7 Ų156.772%0.72481%0.805SS**  trans49128.5136.9-72.7-132.6156.700122.6
82N33.2Very low39.6Very low129 Ų129155.6 Ų155.669%0.6980%0.804SS**  trans59.690.6142.3-77.8-41.2000118.2
83K34Very low40Very low191 Ų191157.2 Ų157.283%0.8380%0.803SS**  trans-163.1102.2137.6-104.1149.7-170.8176.10111.7Q85K83-Q85 VanDerWaalsContact C-N 3.3Å; K83-Q85 PolarHBondContact O-N 2.99Å
84R38.1Very low41Very low259 Ų259157.2 Ų157.298%0.97780%0.803SS**  trans-62.892.5157.4-88.8177.4158.2-173.5-5.4108.5K86R84-K86 PolarHBondContact O-N 3.33Å; R84-K86 VanDerWaalsContact O-N 3.16Å
85Q39.3Very low41.9Very low173 Ų173163.5 Ų163.581%0.80882%0.815SS**  trans-73102.6171-69.8-172.5-4.500109.4K83 R87K83-Q85 VanDerWaalsContact C-N 3.3Å; K83-Q85 PolarHBondContact O-N 2.99Å; Q85-R87 PolarHBondContact O-N 3.32Å
86K42.2Very low43Very low202 Ų202158.6 Ų158.688%0.87880%0.804SS**  trans-70.4113.3164.6-122.5177-179.2177.30107.4R84 Q88R84-K86 PolarHBondContact O-N 3.33Å; R84-K86 VanDerWaalsContact O-N 3.16Å; K86-Q88 PolarHBondContact O-N 3.26Å; K86-Q88 VanDerWaalsContact O-N 3.09Å
87R47.3Very low44.3Very low249 Ų249163.5 Ų163.594%0.9481%0.805SS**  trans-52.5112172.3-63.2171.375.8-1794109.1Q85Q85-R87 PolarHBondContact O-N 3.32Å
88Q44.5Very low46Very low192 Ų192167.4 Ų167.490%0.89781%0.808SS**  trans-82.1113.6167.6-77.6-175.8-21.300107.5K86K86-Q88 PolarHBondContact O-N 3.26Å; K86-Q88 VanDerWaalsContact O-N 3.09Å
89S45.5Very low47.4Very low108 Ų108167.5 Ų167.576%0.75580%0.803SS**  trans-78.5136.8166.472.70000109.5R91S89-R91 PolarHBondContact O-N 3.44Å
90N42Very low48.8Very low177 Ų177165.7 Ų165.795%0.94780%0.799SS**  trans-58.594.3171.1-84.5-23.7000109.9
91R54.7Low49.5Very low221 Ų221168.8 Ų168.883%0.83481%0.806SS**  trans-97116.5170.1-169.7172.9-177.11693.1109.4S89 V93S89-R91 PolarHBondContact O-N 3.44Å; R91-V93 PolarHBondContact O-N 3.36Å
92V53.5Low50.4Low122 Ų122172.8 Ų172.874%0.73981%0.814SS**  trans-54119170.3175.40000109.3T94V92-T94 HydrophobicContact CG1-CG2 4.2Å; V92-T94 PolarHBondContact O-N 3.32Å
93V47.8Very low51Low132 Ų132171 Ų17180%0.882%0.818SS**  trans-83.193.6177-179.70000108.4R91R91-V93 PolarHBondContact O-N 3.36Å
94T58.5Low51.5Low115 Ų115171.2 Ų171.271%0.70682%0.818SS**  trans-83.6131.6162.4570000108.6V92 G96V92-T94 HydrophobicContact CG1-CG2 4.2Å; V92-T94 PolarHBondContact O-N 3.32Å; T94-G96 PolarHBondContact O-N 2.97Å
95K56.1Low51.6Low210 Ų210165.8 Ų165.891%0.91381%0.808SS**  trans-73.857.7173.4-67.6-149178.2-171.60111.1
96G57.2Low51.5Low57 Ų57163.4 Ų163.459%0.58881%0.805SS**  trans-72.6135.1171.500000110.9T94T94-G96 PolarHBondContact O-N 2.97Å
97Y61.2Low51.3Low194 Ų194161.5 Ų161.576%0.76180%0.799SS**  trans-45.3132.5174.3178.7-108.4000112.2E99Y97-E99 HydrophobicContact CD1-CG 3.88Å; Y97-E99 HydrophobicContact CE1-CG 3.47Å; Y97-E99 VanDerWaalsContact CE1-CG 3.47Å
98K71.1Confident50.6Low197 Ų197155.6 Ų155.686%0.85779%0.792SS**  trans-107.4103.8179.1-159.1165.1-171.8173.90108.4
99E62Low50.5Low153 Ų153155.3 Ų155.372%0.71579%0.791SS**  trans-60.8137.6179.1-78.6-177.8173.500111.6Y97 K101Y97-E99 HydrophobicContact CD1-CG 3.88Å; Y97-E99 HydrophobicContact CE1-CG 3.47Å; Y97-E99 VanDerWaalsContact CE1-CG 3.47Å; E99-K101 PolarHBondContact O-N 2.76Å
100P65.5Low50.2Low102 Ų102159.2 Ų159.266%0.66280%0.798SS**  trans-65.9135.6176.427.4-32.4000109.9R102P100-R102 PolarHBondContact O-N 3.39Å
101K52.2Low49.9Very low207 Ų207157 Ų15790%0.979%0.786SS**  trans-54.1113.6178.1-65.4178.6179.7179.10109.6E99 A103E99-K101 PolarHBondContact O-N 2.76Å; K101-A103 PolarHBondContact O-N 2.82Å
102R51.9Low48.8Very low238 Ų238154.1 Ų154.190%0.89878%0.779SS**  trans-59.9123.7166.7-79.7-176175-146.81108.4P100 K104P100-R102 PolarHBondContact O-N 3.39Å; R102-K104 PolarHBondContact O-N 3.28Å; R102-K104 VanDerWaalsContact O-N 3.16Å
103A46.1Very low47.8Very low93 Ų93155.6 Ų155.677%0.76978%0.782SS**  trans-61115.7169.500000108K101 I105K101-A103 PolarHBondContact O-N 2.82Å; A103-I105 PolarHBondContact O-N 2.85Å; A103-I105 VanDerWaalsContact O-N 3.14Å
104K43.8Very low47.1Very low194 Ų194153.9 Ų153.984%0.84378%0.776SS**  trans-66.7111.2170.1-74.4-178.7177.6-176.90107.5R102 T106R102-K104 PolarHBondContact O-N 3.28Å; R102-K104 VanDerWaalsContact O-N 3.16Å; K104-T106 PolarHBondContact O-N 3.43Å; K104-T106 VanDerWaalsContact O-N 3.11Å
105I41.7Very low46Very low146 Ų146155.4 Ų155.475%0.74978%0.78SS**  trans-64.2106159.9-63.8167.7000105.4A103 H107A103-I105 PolarHBondContact O-N 2.85Å; A103-I105 VanDerWaalsContact O-N 3.14Å; I105-H107 PolarHBondContact O-N 3.2Å
106T36Very low45.1Very low122 Ų122155.6 Ų155.675%0.74878%0.781SS**  trans-70.9104.5171.842.90000108.7K104K104-T106 PolarHBondContact O-N 3.43Å; K104-T106 VanDerWaalsContact O-N 3.11Å
107H38Very low43.7Very low163 Ų163163.1 Ų163.176%0.75580%0.797SS**  trans-75.4126.4153.2-76.3-75.3000107.9I105 Q109I105-H107 PolarHBondContact O-N 3.2Å; H107-Q109 PolarHBondContact O-N 2.86Å
108P33.3Very low42.3Very low124 Ų124158.4 Ų158.481%0.80580%0.799SS**  trans-72.6113.3171-319.1000108.1
109Q41.6Very low40.5Very low187 Ų187156.3 Ų156.387%0.87480%0.797SS**  trans-99.5122.3162-80.5-169-25.400108.8H107H107-Q109 PolarHBondContact O-N 2.86Å
110E40.4Very low39.1Very low190 Ų190153.6 Ų153.689%0.88880%0.795SS**  trans-64132.2170.1-67.3178.6149.700110.5
111N34.6Very low37.6Very low131 Ų131155.7 Ų155.770%0.70180%0.8SS**  trans-23.8151.1146.2-69.3-41.8000113.8
112K31.4Very low36.7Very low159 Ų159154.8 Ų154.869%0.69180%0.796SS**  cis174.3151.99-111.6173.9-173.3-179.50106.5
113L34.3Very low35.9Very low154 Ų154148.6 Ų148.681%0.80679%0.79SS**  trans71.9140.1148.5-59.3156.7000116.8
114S32.6Very low35.2Very low95 Ų95151.8 Ų151.866%0.66479%0.793SS**  cis-172.4144.29.244.20000110.4
115D35Very low34.7Very low148 Ų148149.7 Ų149.779%0.79180%0.797SS**  trans34.7120.6138.9-55.7-43.9000122.3
116K37.2Very low34.5Very low213 Ų213150.2 Ų150.293%0.92680%0.801SS**  -177.9130.6102.8-97.6173.4-177.8178.80112.9
117K27.2Very low34.6Very low215 Ų215149.5 Ų149.594%0.93580%0.798SS**  trans-83.7145.3163.9-80.4176.2170.8177.90111
118A32.9Very low34.7Very low96 Ų96150.9 Ų150.979%0.79381%0.805SS**  trans-161.1107.9142.800000107.4
119N32.1Very low34.9Very low153 Ų153149.3 Ų149.382%0.81880%0.797SS**  60.3107.7101-95.711000114.8
120S32.7Very low34.6Very low96 Ų96149.6 Ų149.667%0.67180%0.795SS**  78.4135.1105.268.40000112.7
121D34.1Very low34.3Very low146 Ų146146 Ų14678%0.78179%0.791SS**  cis-165.3171.218.9-125.2-36.5000110.2
122K33.2Very low34.4Very low187 Ų187144.2 Ų144.281%0.81380%0.795SS**  trans-56.5150.6-174.2-69.4151.4171.7173.10118.6
123S34.8Very low34.3Very low109 Ų109142.8 Ų142.876%0.76280%0.799SS**  -179.2110.4119.743.90000110.5
124L32Very low34.4Very low160 Ų160143.1 Ų143.184%0.83880%0.797SS**  67.8109.9100.5-74.1162.1000115.6
125T34.7Very low34.5Very low150 Ų150146 Ų14692%0.9280%0.803SS**  -170.6145.7124.822.50000111.5
126D35.5Very low34.6Very low157 Ų157147.1 Ų147.184%0.8480%0.801SS**  trans-74.5172.6-159.7-95.7-44.7000117.9
127P39.5Very low34.4Very low107 Ų107144 Ų14470%0.69579%0.794SS**  trans-98.6158.1-16438.4-35.1000114.8
128Q39.9Very low34.8Very low192 Ų192142.8 Ų142.890%0.89779%0.789SS**  trans-141.2109.2158.1-76.4-164.7-21.100113.5
129S36.7Very low34.9Very low90 Ų90147.2 Ų147.263%0.62979%0.793SS**  trans6.6148.3140.477.70000123.6
130K35.7Very low35.3Very low193 Ų193148 Ų14884%0.83979%0.792SS**  trans81134.5154.1-58.6170.2-167.2-179.50114.5
131S34.7Very low35.3Very low114 Ų114151.9 Ų151.980%0.79780%0.799SS**  cis-176.4166.911.141.20000108.5
132A35.9Very low35.4Very low95 Ų95152 Ų15279%0.78580%0.799SS**  trans93.597.8153.400000119
133V29.8Very low35.2Very low129 Ų129148.9 Ų148.978%0.78280%0.796SS**  trans-31.4125.9148.6177.10000113.9
134Q36Very low35.4Very low161 Ų161149.8 Ų149.875%0.75280%0.796SS**  trans-144.696.6143-70.2-167.727.800108.8
135I35.8Very low35.5Very low155 Ų155148.5 Ų148.580%0.79580%0.795SS**  trans-82113161.5-64.9172.4000105.6
136K36.5Very low35.6Very low171 Ų171151.1 Ų151.174%0.74379%0.793SS**  trans-109.9120168.8-89.3-178.5177.8170.80109K138K136-K138 PolarHBondContact O-N 3.33Å
137D32Very low35.8Very low149 Ų149153.5 Ų153.580%0.79780%0.797SS**  trans-48.8124.5167.5-63.9-55.1000111.7
138K36.8Very low35.5Very low188 Ų188154.9 Ų154.982%0.81780%0.803SS**  trans-131.898.8157-88-174.5176.6179.50109.1K136 Q140K136-K138 PolarHBondContact O-N 3.33Å; K138-Q140 PolarHBondContact O-N 3.11Å
139Q33.6Very low35.2Very low190 Ų190151.7 Ų151.789%0.88880%0.802SS**  trans-53.6117.5155.9-64.2171.10.400108.3
140Q42Very low35.1Very low169 Ų169150.4 Ų150.479%0.7980%0.803SS**  trans-113.4105.5163.6-76.6-173.14.200108.4K138 I142K138-Q140 PolarHBondContact O-N 3.11Å; Q140-I142 PolarHBondContact O-N 3.26Å
141Q32.5Very low35.6Very low177 Ų177151.2 Ų151.283%0.82781%0.81SS**  trans-59.4118.4160.8-73.6171.1-6.500108.6
142I37Very low35.9Very low149 Ų149152.7 Ų152.776%0.76481%0.807SS**  trans-99.197.1161.5-63176.3000106.7Q140 V144Q140-I142 PolarHBondContact O-N 3.26Å; I142-V144 HydrophobicContact CG2-CG2 3.98Å
143T27.7Very low36.4Very low122 Ų122153.6 Ų153.675%0.74881%0.808SS**  trans-85.3111.2161.247.20000108.3
144V38.6Very low37.2Very low127 Ų127153.1 Ų153.177%0.7781%0.806SS**  trans-133.3141.8161.9-178.20000109.2I142I142-V144 HydrophobicContact CG2-CG2 3.98Å
145T35.3Very low37.8Very low133 Ų133154.7 Ų154.782%0.81681%0.806SS**  trans-84.3157.4-153.240.40000114.9
146K36.7Very low38.8Very low205 Ų205155.7 Ų155.789%0.89181%0.807SS**  trans-47.2130.8172.6-69.8172.6174.7174.80113.4
147K38.3Very low39.7Very low208 Ų208157.9 Ų157.990%0.90481%0.811SS**  trans-147.5144.8131.2-75.4-163.1-179.11710111.3
148T34.2Very low41Very low135 Ų135155.5 Ų155.583%0.82880%0.803SS**  trans-67.3133.1-174.346.90000114.7
149S34.5Very low42.5Very low125 Ų125155.6 Ų155.687%0.87481%0.807SS**  trans174.5138.4134.554.60000111.1
150G33.9Very low43.7Very low64 Ų64151.7 Ų151.766%0.6679%0.791SS**  trans93.295.8167.700000115.7I152G150-I152 PolarHBondContact O-N 3.03Å
151Q46.3Very low45.3Very low210 Ų210153.5 Ų153.598%0.98179%0.791SS**  trans-63.591156.6-87.9176.6-32.100108.3
152I41.3Very low47.5Very low145 Ų145148.6 Ų148.674%0.74478%0.781SS**  trans-84.4112.7163.7-59.1170.5000105G150 T154G150-I152 PolarHBondContact O-N 3.03Å; I152-T154 VanDerWaalsContact C-N 3.29Å; I152-T154 PolarHBondContact O-N 3.49Å
153S45.6Very low49.4Very low113 Ų113145.2 Ų145.279%0.7977%0.77SS**  trans-56.894.1167.7159.40000108.3Y155S153-Y155 PolarHBondContact O-N 3.13Å; S153-Y155 VanDerWaalsContact O-N 3.13Å
154T46.8Very low51.7Low120 Ų120142.3 Ų142.374%0.73675%0.753SS**  trans-63.6110.217243.10000108.1I152 E156I152-T154 VanDerWaalsContact C-N 3.29Å; I152-T154 PolarHBondContact O-N 3.49Å; T154-E156 PolarHBondContact O-N 3.24Å; T154-E156 VanDerWaalsContact O-N 3.12Å
155Y47.7Very low53.4Low193 Ų193140.5 Ų140.576%0.75774%0.738SS**  trans-68.1105175.9-174.7-93.5000108.9S153 R157S153-Y155 PolarHBondContact O-N 3.13Å; S153-Y155 VanDerWaalsContact O-N 3.13Å; Y155-R157 PolarHBondContact O-N 3.39Å
156E57.5Low55.5Low177 Ų177140.7 Ų140.783%0.82773%0.73SS**  trans-71.3114.4168.4-80.9-176.1161.900108.7T154T154-E156 PolarHBondContact O-N 3.24Å; T154-E156 VanDerWaalsContact O-N 3.12Å
157R55.2Low57.6Low216 Ų216133.7 Ų133.782%0.81571%0.71SS**PPolyproline II helixtrans-64.2132.3178.1-176.6176.6178.5178.2-1.5108.7Y155 E159Y155-R157 PolarHBondContact O-N 3.39Å; R157-E159 PolarHBondContact O-N 3.09Å; R157-E159 VanDerWaalsContact O-N 3.11Å
158P60Low59.6Low99 Ų99126.7 Ų126.764%0.64369%0.685SS**PPolyproline II helixtrans-60.1118.4-179.9-19.529.5000110.8
159E68.8Low62.1Low190 Ų190122.6 Ų122.689%0.88867%0.665SS**PPolyproline II helixtrans-73.1127.2173.6-64.8-174.2168.700109.3R157R157-E159 PolarHBondContact O-N 3.09Å; R157-E159 VanDerWaalsContact O-N 3.11Å
160L58.9Low64.4Low108 Ų108122 Ų12257%0.56565%0.652SS**PPolyproline II helixtrans-63.9143.6174.5-75.2161.1000109.3A162 L165L160-A162 PolarHBondContact O-N 3.04Å; L160-L165 HydrophobicContact CB-CD2 3.87Å; L160-L165 HydrophobicContact CB-CG 3.99Å; L160-L165 HydrophobicContact CD1-CD2 4Å
161R75.4Confident66.7Low207 Ų207125 Ų12578%0.78165%0.649SS**PPolyproline II helixtrans-53.8138.3175.5-132178.5-167.3139.12109.3S163 T164 L165R161-S163 PolarHBondContact O-N 3.13Å; R161-T164 VanDerWaalsContact CB-OG1 3.31Å; R161-T164 WeakPolarHBondContact CB-OG1 3.43Å; R161-T164 PolarHBondContact N-OG1 3.13Å; R161-T164 WeakPolarHBondContact O-CA 3.13Å; R161-T164 WeakPolarHBondContact O-CB 3.4Å; R161-T164 PolarHBondContact O-N 3.25Å; R161-T164 PolarHBondContact O-OG1 2.96Å; R161-L165 PolarHBondContact O-N 3.13Å
162A78.2Confident68.5Low74 Ų74121.1 Ų121.161%0.61263%0.631SS**Hα-helixtrans-51.8-35.8-17600000113.8L160 T164 L165 Q166L160-A162 PolarHBondContact O-N 3.04Å; A162-T164 PolarHBondContact O-N 3.31Å; A162-L165 PolarHBondContact O-N 3.25Å; A162-Q166 PolarHBondContact O-N 3.3Å
163S76.1Confident70.7Confident78 Ų78116.2 Ų116.255%0.54561%0.611SS.*Hα-helixtrans-67-33.9176.458.20000113.7R161 A167R161-S163 PolarHBondContact O-N 3.13Å; S163-A167 PolarHBondContact O-N 3.03Å
164T75.9Confident72.6Confident62 Ų62115.6 Ų115.638%0.3860%0.596SS.*Hα-helixtrans-70.4-35.1175.210.10000111.9R161 A162 T168R161-T164 VanDerWaalsContact CB-OG1 3.31Å; R161-T164 WeakPolarHBondContact CB-OG1 3.43Å; R161-T164 PolarHBondContact N-OG1 3.13Å; R161-T164 WeakPolarHBondContact O-CA 3.13Å; R161-T164 WeakPolarHBondContact O-CB 3.4Å; R161-T164 PolarHBondContact O-N 3.25Å; R161-T164 PolarHBondContact O-OG1 2.96Å; A162-T164 PolarHBondContact O-N 3.31Å; T164-T168 WeakPolarHBondContact O-CG2 3.18Å; T164-T168 PolarHBondContact O-N 3.33Å; T164-T168 PolarHBondContact O-OG1 3.21Å
165L75.8Confident74.3Confident89 Ų89113.1 Ų113.147%0.46658%0.581SS.*Hα-helixtrans-67.2-41.5177-69174.5000112.1L160 R161 A162 T168 A169L160-L165 HydrophobicContact CB-CD2 3.87Å; L160-L165 HydrophobicContact CB-CG 3.99Å; L160-L165 HydrophobicContact CD1-CD2 4Å; R161-L165 PolarHBondContact O-N 3.13Å; A162-L165 PolarHBondContact O-N 3.25Å; L165-T168 WeakPolarHBondContact CA-OG1 3.44Å; L165-T168 PolarHBondContact O-OG1 3.39Å; L165-A169 WeakPolarHBondContact O-CB 3.37Å; L165-A169 PolarHBondContact O-N 3.29Å
166Q79Confident76Confident137 Ų137107.2 Ų107.264%0.6457%0.565SS**Hα-helixtrans-64.5-45.7175.6-74.5179.6-2500111.5A162 T168 A169 D170A162-Q166 PolarHBondContact O-N 3.3Å; Q166-T168 PolarHBondContact O-N 3.26Å; Q166-A169 PolarHBondContact O-N 2.74Å; Q166-A169 VanDerWaalsContact O-N 3.17Å; Q166-D170 PolarHBondContact O-N 3.33Å
167A79.3Confident77.4Confident57 Ų57108 Ų10847%0.47156%0.56SS.*Hα-helixtrans-62.5-39.7178.700000112.8S163 Q171S163-A167 PolarHBondContact O-N 3.03Å; A167-Q171 WeakPolarHBondContact O-CB 3.25Å; A167-Q171 PolarHBondContact O-N 3.04Å
168T81.4Confident78.8Confident61 Ų61104.6 Ų104.637%0.37455%0.548SS..Hα-helixtrans-67.1-39.2174.548.20000111.9T164 L165 Q166 Q171 E172T164-T168 WeakPolarHBondContact O-CG2 3.18Å; T164-T168 PolarHBondContact O-N 3.33Å; T164-T168 PolarHBondContact O-OG1 3.21Å; L165-T168 WeakPolarHBondContact CA-OG1 3.44Å; L165-T168 PolarHBondContact O-OG1 3.39Å; Q166-T168 PolarHBondContact O-N 3.26Å; T168-Q171 PolarHBondContact O-N 3.17Å; T168-E172 WeakPolarHBondContact O-CB 3.38Å; T168-E172 WeakPolarHBondContact O-CG 3.43Å; T168-E172 PolarHBondContact O-N 3.37Å
169A85.9Confident79.8Confident49 Ų49107.2 Ų107.241%0.40554%0.544SS..Hα-helixtrans-66.5-40.1178.800000112.5L165 Q166 Q171 E172 A173L165-A169 WeakPolarHBondContact O-CB 3.37Å; L165-A169 PolarHBondContact O-N 3.29Å; Q166-A169 PolarHBondContact O-N 2.74Å; Q166-A169 VanDerWaalsContact O-N 3.17Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-E172 PolarHBondContact O-N 3.01Å; A169-A173 WeakPolarHBondContact O-CB 3.32Å; A169-A173 PolarHBondContact O-N 2.96Å
170D82.6Confident80.6Confident114 Ų114102.7 Ų102.761%0.6153%0.526SS*.Hα-helixtrans-65.6-39.4176.7-70.2-25.3000111.4Q166 A173 E174Q166-D170 PolarHBondContact O-N 3.33Å; D170-A173 PolarHBondContact O-N 3.23Å; D170-E174 PolarHBondContact O-N 2.75Å
171Q83Confident81.8Confident126 Ų12699.6 Ų99.659%0.58952%0.516SS*.Hα-helixtrans-68.4-41.5177.6-150.2176.111.600111.6A167 T168 A169 E174 T175A167-Q171 WeakPolarHBondContact O-CB 3.25Å; A167-Q171 PolarHBondContact O-N 3.04Å; T168-Q171 PolarHBondContact O-N 3.17Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; Q171-E174 PolarHBondContact O-N 3.3Å; Q171-T175 WeakPolarHBondContact O-CG2 3.45Å; Q171-T175 PolarHBondContact O-N 3.03Å; Q171-T175 PolarHBondContact O-OG1 3.08Å; Q171-T175 VanDerWaalsContact O-OG1 3.06Å
172E84.3Confident82Confident129 Ų12992.4 Ų92.460%0.60350%0.495SS*.Hα-helixtrans-62.7-40.3171.6-75.3176.1-178.700112T168 A169 E174 T175 T176T168-E172 WeakPolarHBondContact O-CB 3.38Å; T168-E172 WeakPolarHBondContact O-CG 3.43Å; T168-E172 PolarHBondContact O-N 3.37Å; A169-E172 PolarHBondContact O-N 3.01Å; E172-E174 PolarHBondContact O-N 3.05Å; E172-T175 WeakPolarHBondContact CA-OG1 3.43Å; E172-T175 PolarHBondContact O-OG1 2.96Å; E172-T176 WeakPolarHBondContact O-CB 3.35Å; E172-T176 VanDerWaalsContact O-CG2 3.24Å; E172-T176 WeakPolarHBondContact O-CG2 3.21Å; E172-T176 PolarHBondContact O-N 3.09Å; E172-T176 PolarHBondContact O-OG1 3.27Å
173A87.2Confident82.3Confident41 Ų4191.5 Ų91.534%0.33949%0.487SS..Hα-helixtrans-66.1-36.2176.200000112.6A169 D170 T176 R177A169-A173 WeakPolarHBondContact O-CB 3.32Å; A169-A173 PolarHBondContact O-N 2.96Å; D170-A173 PolarHBondContact O-N 3.23Å; A173-T176 WeakPolarHBondContact CA-OG1 3.36Å; A173-T176 PolarHBondContact O-OG1 3.3Å; A173-R177 WeakPolarHBondContact O-CB 3.49Å; A173-R177 VanDerWaalsContact O-CG 3.26Å; A173-R177 WeakPolarHBondContact O-CG 3.44Å; A173-R177 PolarHBondContact O-N 2.99Å
174E84.8Confident82.8Confident101 Ų10193.7 Ų93.747%0.47249%0.489SS..Hα-helixtrans-72.7-43.5177.1-165.6178.1169.300111.9D170 Q171 E172 T176 R177 R178D170-E174 PolarHBondContact O-N 2.75Å; Q171-E174 PolarHBondContact O-N 3.3Å; E172-E174 PolarHBondContact O-N 3.05Å; E174-T176 PolarHBondContact O-N 3.46Å; E174-R177 PolarHBondContact O-N 2.84Å; E174-R178 PolarHBondContact O-N 2.98Å; E174-R178 IonicContact OE1-CZ 3.5Å; E174-R178 IonicContact OE1-NE 3.59Å; E174-R178 IonicContact OE1-NH2 2.74Å; E174-R178 PolarHBondContact OE1-NH2 3.28Å
175T83.2Confident83Confident67 Ų6796.2 Ų96.241%0.41150%0.5SS..Hα-helixtrans-62.8-41.7176.953.10000112.3Q171 E172 R178 R179Q171-T175 WeakPolarHBondContact O-CG2 3.45Å; Q171-T175 PolarHBondContact O-N 3.03Å; Q171-T175 PolarHBondContact O-OG1 3.08Å; Q171-T175 VanDerWaalsContact O-OG1 3.06Å; E172-T175 WeakPolarHBondContact CA-OG1 3.43Å; E172-T175 PolarHBondContact O-OG1 2.96Å; T175-R178 PolarHBondContact O-N 3.24Å; T175-R179 PolarHBondContact O-N 3.48Å
176T84.4Confident83.4Confident70 Ų7096.4 Ų96.443%0.42951%0.505SS..Hα-helixtrans-63.6-41.7175.8500000112.1E172 A173 E174 R178 R179 I180E172-T176 WeakPolarHBondContact O-CB 3.35Å; E172-T176 VanDerWaalsContact O-CG2 3.24Å; E172-T176 WeakPolarHBondContact O-CG2 3.21Å; E172-T176 PolarHBondContact O-N 3.09Å; E172-T176 PolarHBondContact O-OG1 3.27Å; A173-T176 WeakPolarHBondContact CA-OG1 3.36Å; A173-T176 PolarHBondContact O-OG1 3.3Å; E174-T176 PolarHBondContact O-N 3.46Å; T176-R178 PolarHBondContact O-N 3.2Å; T176-R179 PolarHBondContact O-N 2.68Å; T176-I180 VanDerWaalsContact O-CG1 3.31Å; T176-I180 WeakPolarHBondContact O-CG1 3.17Å; T176-I180 PolarHBondContact O-N 3.36Å
177R86.9Confident83.7Confident193 Ų19392.6 Ų92.673%0.72850%0.497SS*.Hα-helixtrans-62-41.3174.3-76175.3179.5-177.12.2112.7A173 E174 I180 A181A173-R177 WeakPolarHBondContact O-CB 3.49Å; A173-R177 VanDerWaalsContact O-CG 3.26Å; A173-R177 WeakPolarHBondContact O-CG 3.44Å; A173-R177 PolarHBondContact O-N 2.99Å; E174-R177 PolarHBondContact O-N 2.84Å; R177-I180 PolarHBondContact O-N 2.85Å; R177-A181 WeakPolarHBondContact O-CB 3.44Å; R177-A181 PolarHBondContact O-N 3.09Å
178R83.6Confident84.1Confident145 Ų14594.7 Ų94.755%0.54750%0.503SS..Hα-helixtrans-63.7-44.9176.3-73.2-175.5-172-177.35.6111.5E174 T175 T176 I180 A181 T182E174-R178 PolarHBondContact O-N 2.98Å; E174-R178 IonicContact OE1-CZ 3.5Å; E174-R178 IonicContact OE1-NE 3.59Å; E174-R178 IonicContact OE1-NH2 2.74Å; E174-R178 PolarHBondContact OE1-NH2 3.28Å; T175-R178 PolarHBondContact O-N 3.24Å; T176-R178 PolarHBondContact O-N 3.2Å; R178-I180 PolarHBondContact O-N 2.65Å; R178-A181 PolarHBondContact O-N 3.45Å; R178-T182 WeakPolarHBondContact O-CG2 3.49Å; R178-T182 PolarHBondContact O-N 3.05Å; R178-T182 PolarHBondContact O-OG1 2.81Å
179R81.5Confident84.3Confident153 Ų153101.3 Ų101.358%0.57752%0.521SS*.Hα-helixtrans-58.4-44.2175.1-82.1175.4-177.3-178.24.4113.2E26 T175 T176 A181 T182 A183E26-R179 WeakPolarHBondContact OE1-CG 3.1Å; E26-R179 IonicContact OE1-NE 3.88Å; T175-R179 PolarHBondContact O-N 3.48Å; T176-R179 PolarHBondContact O-N 2.68Å; R179-A181 VanDerWaalsContact C-N 3.34Å; R179-T182 WeakPolarHBondContact CA-OG1 3.33Å; R179-T182 PolarHBondContact O-N 3.02Å; R179-T182 PolarHBondContact O-OG1 2.83Å; R179-A183 WeakPolarHBondContact O-CB 3.12Å; R179-A183 PolarHBondContact O-N 2.8Å
180I84.4Confident84.3Confident96 Ų96108 Ų10849%0.49254%0.536SS..Hα-helixtrans-63.6-44.7177.8-67.2165.3000109.7T176 R177 R178 T182 A183 E184T176-I180 VanDerWaalsContact O-CG1 3.31Å; T176-I180 WeakPolarHBondContact O-CG1 3.17Å; T176-I180 PolarHBondContact O-N 3.36Å; R177-I180 PolarHBondContact O-N 2.85Å; R178-I180 PolarHBondContact O-N 2.65Å; I180-T182 PolarHBondContact O-N 2.85Å; I180-A183 PolarHBondContact O-N 3.3Å; I180-E184 HydrophobicContact CG2-CG 4.35Å; I180-E184 WeakPolarHBondContact O-CB 3.47Å; I180-E184 VanDerWaalsContact O-CG 3.29Å; I180-E184 WeakPolarHBondContact O-CG 3.47Å; I180-E184 PolarHBondContact O-N 3.09Å
181A84Confident84.7Confident43 Ų43110.3 Ų110.336%0.35554%0.541SS..Hα-helixtrans-64.5-38.1177.900000113.1R177 R178 R179 N185R177-A181 WeakPolarHBondContact O-CB 3.44Å; R177-A181 PolarHBondContact O-N 3.09Å; R178-A181 PolarHBondContact O-N 3.45Å; R179-A181 VanDerWaalsContact C-N 3.34Å; A181-N185 WeakPolarHBondContact O-CB 3.49Å; A181-N185 PolarHBondContact O-N 2.94Å; A181-N185 VanDerWaalsContact O-N 3.16Å; A181-N185 PolarHBondContact O-ND2 3.19Å
182T81.5Confident84.9Confident56 Ų56107.2 Ų107.234%0.34454%0.537SS..Hα-helixtrans-70.8-40.5175.956.30000111.4E26 R178 R179 I180 N185 T186E26-T182 PolarHBondContact OE2-OG1 2.86Å; E26-T182 VanDerWaalsContact OE2-OG1 3.11Å; R178-T182 WeakPolarHBondContact O-CG2 3.49Å; R178-T182 PolarHBondContact O-N 3.05Å; R178-T182 PolarHBondContact O-OG1 2.81Å; R179-T182 WeakPolarHBondContact CA-OG1 3.33Å; R179-T182 PolarHBondContact O-N 3.02Å; R179-T182 PolarHBondContact O-OG1 2.83Å; I180-T182 PolarHBondContact O-N 2.85Å; T182-N185 PolarHBondContact O-N 2.76Å; T182-T186 VanDerWaalsContact O-CG2 3.31Å; T182-T186 WeakPolarHBondContact O-CG2 3.03Å; T182-T186 PolarHBondContact O-N 3.45Å; T182-T186 PolarHBondContact O-OG1 2.92Å
183A84.5Confident85Confident54 Ų54105.7 Ų105.745%0.44653%0.532SS..Hα-helixtrans-62.3-43.1174.600000112.4R179 I180 T186 A187R179-A183 WeakPolarHBondContact O-CB 3.12Å; R179-A183 PolarHBondContact O-N 2.8Å; I180-A183 PolarHBondContact O-N 3.3Å; A183-T186 WeakPolarHBondContact CA-OG1 3.37Å; A183-T186 PolarHBondContact O-N 2.89Å; A183-T186 PolarHBondContact O-OG1 2.84Å; A183-A187 VanDerWaalsContact O-CB 3.25Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.02Å
184E85Confident84.9Confident125 Ų125108.8 Ų108.858%0.58454%0.543SS*.Hα-helixtrans-63-45.7176.7-76177.4174.500111.5I180 T186 A187 V188I180-E184 HydrophobicContact CG2-CG 4.35Å; I180-E184 WeakPolarHBondContact O-CB 3.47Å; I180-E184 VanDerWaalsContact O-CG 3.29Å; I180-E184 WeakPolarHBondContact O-CG 3.47Å; I180-E184 PolarHBondContact O-N 3.09Å; E184-T186 PolarHBondContact O-N 3.19Å; E184-A187 PolarHBondContact O-N 2.86Å; E184-V188 VanDerWaalsContact O-CG2 3.29Å; E184-V188 WeakPolarHBondContact O-CG2 3.37Å; E184-V188 PolarHBondContact O-N 2.97Å
185N81.4Confident84.9Confident115 Ų115106.3 Ų106.362%0.61554%0.539SS*.Hα-helixtrans-64.5-39.9178.4-77.4-50.2000112.6A181 T182 R189A181-N185 WeakPolarHBondContact O-CB 3.49Å; A181-N185 PolarHBondContact O-N 2.94Å; A181-N185 VanDerWaalsContact O-N 3.16Å; A181-N185 PolarHBondContact O-ND2 3.19Å; T182-N185 PolarHBondContact O-N 2.76Å; N185-R189 WeakPolarHBondContact O-CB 3.37Å; N185-R189 PolarHBondContact O-N 2.95Å; N185-R189 VanDerWaalsContact O-N 3.07Å
186T82.8Confident84.8Confident92 Ų92107.6 Ų107.656%0.56454%0.541SS*.Hα-helixtrans-69.4-39.4176.753.40000111.6T182 A183 E184 R189 R190T182-T186 VanDerWaalsContact O-CG2 3.31Å; T182-T186 WeakPolarHBondContact O-CG2 3.03Å; T182-T186 PolarHBondContact O-N 3.45Å; T182-T186 PolarHBondContact O-OG1 2.92Å; A183-T186 WeakPolarHBondContact CA-OG1 3.37Å; A183-T186 PolarHBondContact O-N 2.89Å; A183-T186 PolarHBondContact O-OG1 2.84Å; E184-T186 PolarHBondContact O-N 3.19Å; T186-R189 PolarHBondContact O-N 2.86Å; T186-R190 WeakPolarHBondContact O-CB 3.32Å; T186-R190 PolarHBondContact O-N 3.15Å
187A85.6Confident84.4Confident57 Ų57107.9 Ų107.947%0.47154%0.539SS..Hα-helixtrans-63.5-43.417500000112.2A183 E184 R189 R190 K191A183-A187 VanDerWaalsContact O-CB 3.25Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.02Å; E184-A187 PolarHBondContact O-N 2.86Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 3.43Å; A187-R190 PolarHBondContact O-N 3.11Å; A187-K191 WeakPolarHBondContact O-CB 3.38Å; A187-K191 PolarHBondContact O-N 2.99Å
188V88.3Confident83.9Confident101 Ų101101.1 Ų101.161%0.61252%0.524SS*.Hα-helixtrans-60.3-43.9174.4171.10000110.6E184 K191 A192E184-V188 VanDerWaalsContact O-CG2 3.29Å; E184-V188 WeakPolarHBondContact O-CG2 3.37Å; E184-V188 PolarHBondContact O-N 2.97Å; V188-K191 PolarHBondContact O-N 2.96Å; V188-A192 WeakPolarHBondContact O-CB 3.3Å; V188-A192 PolarHBondContact O-N 3.35Å
189R86.1Confident83.3Confident200 Ų200101 Ų10176%0.75553%0.53SS*.Hα-helixtrans-64.9-41.2177.8-165.9174.5-174.4166.71.2112.4N185 T186 A187 A192 L193N185-R189 WeakPolarHBondContact O-CB 3.37Å; N185-R189 PolarHBondContact O-N 2.95Å; N185-R189 VanDerWaalsContact O-N 3.07Å; T186-R189 PolarHBondContact O-N 2.86Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 3.43Å; R189-A192 PolarHBondContact O-N 3.42Å; R189-L193 WeakPolarHBondContact O-CB 3.28Å; R189-L193 PolarHBondContact O-N 3.15Å
190R86.2Confident82.7Confident189 Ų189101.9 Ų101.971%0.71353%0.533SS*.Hα-helixtrans-64.7-43176.7-159.5178.5-159.2150.51.5111.2T186 A187 L193 L194T186-R190 WeakPolarHBondContact O-CB 3.32Å; T186-R190 PolarHBondContact O-N 3.15Å; A187-R190 PolarHBondContact O-N 3.11Å; R190-L193 PolarHBondContact O-N 3.07Å; R190-L194 HydrophobicContact CG-CD1 4.4Å; R190-L194 WeakPolarHBondContact O-CB 3.39Å; R190-L194 VanDerWaalsContact O-CG 3.31Å; R190-L194 WeakPolarHBondContact O-CG 3.33Å; R190-L194 PolarHBondContact O-N 3.12Å
191K89.5Confident81.8Confident163 Ų163105.3 Ų105.371%0.70954%0.544SS*.Hα-helixtrans-64.4-42176.7-170.3175.3-178.7177.20112A187 V188 L194 A195A187-K191 WeakPolarHBondContact O-CB 3.38Å; A187-K191 PolarHBondContact O-N 2.99Å; V188-K191 PolarHBondContact O-N 2.96Å; K191-L194 PolarHBondContact O-N 3.23Å; K191-A195 WeakPolarHBondContact O-CB 3.49Å; K191-A195 PolarHBondContact O-N 3.38Å
192A88.3Confident80.7Confident61 Ų61109.8 Ų109.850%0.50456%0.562SS.*Hα-helixtrans-62.7-44.1175.100000111.8V188 R189 A195 E196V188-A192 WeakPolarHBondContact O-CB 3.3Å; V188-A192 PolarHBondContact O-N 3.35Å; R189-A192 PolarHBondContact O-N 3.42Å; A192-A195 PolarHBondContact O-N 2.95Å; A192-E196 PolarHBondContact O-N 3.29Å
193L85.6Confident79.5Confident98 Ų98113.2 Ų113.251%0.51358%0.578SS.*Hα-helixtrans-64.6-41.9177.9-173.8140.3000112.2R189 R190 E196 I197R189-L193 WeakPolarHBondContact O-CB 3.28Å; R189-L193 PolarHBondContact O-N 3.15Å; R190-L193 PolarHBondContact O-N 3.07Å; L193-E196 PolarHBondContact O-N 3.4Å; L193-I197 HydrophobicContact CD2-CD1 3.6Å; L193-I197 HydrophobicContact CG-CD1 4.38Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.37Å; L193-I197 PolarHBondContact O-N 3.09Å
194L85.6Confident78.1Confident105 Ų105116.2 Ų116.255%0.5559%0.593SS.*Hα-helixtrans-65.7-38.2174.6-72.4170.3000112.3R190 K191 I197 A198R190-L194 HydrophobicContact CG-CD1 4.4Å; R190-L194 WeakPolarHBondContact O-CB 3.39Å; R190-L194 VanDerWaalsContact O-CG 3.31Å; R190-L194 WeakPolarHBondContact O-CG 3.33Å; R190-L194 PolarHBondContact O-N 3.12Å; K191-L194 PolarHBondContact O-N 3.23Å; L194-I197 PolarHBondContact O-N 3.39Å; L194-A198 WeakPolarHBondContact O-CB 3.32Å; L194-A198 PolarHBondContact O-N 2.97Å
195A84.4Confident76.8Confident49 Ų49119 Ų11941%0.40561%0.606SS.*Hα-helixtrans-65.2-39.9175.500000111.8K191 A192 A198 Q199K191-A195 WeakPolarHBondContact O-CB 3.49Å; K191-A195 PolarHBondContact O-N 3.38Å; A192-A195 PolarHBondContact O-N 2.95Å; A195-A198 PolarHBondContact O-N 2.85Å; A195-Q199 WeakPolarHBondContact O-CG 3.39Å; A195-Q199 PolarHBondContact O-N 3.23Å
196E80.3Confident75.7Confident95 Ų95119.9 Ų119.944%0.44462%0.616SS.*Hα-helixtrans-64.4-42.8175.5-166.7-174.4164.500111.6A192 L193 A198 Q199 R200A192-E196 PolarHBondContact O-N 3.29Å; L193-E196 PolarHBondContact O-N 3.4Å; E196-A198 PolarHBondContact O-N 3.05Å; E196-Q199 PolarHBondContact O-N 3.5Å; E196-R200 WeakPolarHBondContact O-CG 3.24Å; E196-R200 PolarHBondContact O-N 2.95Å; E196-R200 IonicContact OE1-CZ 3.48Å; E196-R200 IonicContact OE1-NE 3.53Å; E196-R200 IonicContact OE1-NH2 2.72Å; E196-R200 PolarHBondContact OE1-NH2 3.11Å
197I76.4Confident75Confident76 Ų76126.2 Ų126.239%0.3963%0.629SS.*Hα-helixtrans-63.4-41.7175.5-66.9167.1000111L193 L194 Q199 R200 K201L193-I197 HydrophobicContact CD2-CD1 3.6Å; L193-I197 HydrophobicContact CG-CD1 4.38Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.37Å; L193-I197 PolarHBondContact O-N 3.09Å; L194-I197 PolarHBondContact O-N 3.39Å; I197-Q199 VanDerWaalsContact C-N 3.33Å; I197-Q199 PolarHBondContact O-N 2.91Å; I197-R200 PolarHBondContact O-N 3.01Å; I197-K201 WeakPolarHBondContact O-CG 3.2Å; I197-K201 PolarHBondContact O-N 3.31Å; I197-K201 VanDerWaalsContact O-N 3.12Å
198A77.6Confident74.2Confident51 Ų51134.6 Ų134.642%0.42165%0.648SS.*Hα-helixtrans-63.9-37.9177.700000112.2L194 A195 E196 K201L194-A198 WeakPolarHBondContact O-CB 3.32Å; L194-A198 PolarHBondContact O-N 2.97Å; A195-A198 PolarHBondContact O-N 2.85Å; E196-A198 PolarHBondContact O-N 3.05Å; A198-K201 PolarHBondContact O-N 2.71Å
199Q71.1Confident73.5Confident141 Ų141133 Ų13366%0.65964%0.636SS**Hα-helixtrans-66.7-38.9174.9-72.91792.600112.3A195 E196 I197 K201 N202A195-Q199 WeakPolarHBondContact O-CG 3.39Å; A195-Q199 PolarHBondContact O-N 3.23Å; E196-Q199 PolarHBondContact O-N 3.5Å; I197-Q199 VanDerWaalsContact C-N 3.33Å; I197-Q199 PolarHBondContact O-N 2.91Å; Q199-K201 VanDerWaalsContact C-N 3.3Å; Q199-K201 PolarHBondContact O-N 3.45Å; Q199-N202 PolarHBondContact O-N 3.39Å
200R67.8Low73.4Confident172 Ų172126.8 Ų126.865%0.64962%0.62SS**Hα-helixtrans-67.4-27.7176.6-69.3-177.7-173.3-154.94.9113.4E196 I197 N202E196-R200 WeakPolarHBondContact O-CG 3.24Å; E196-R200 PolarHBondContact O-N 2.95Å; E196-R200 IonicContact OE1-CZ 3.48Å; E196-R200 IonicContact OE1-NE 3.53Å; E196-R200 IonicContact OE1-NH2 2.72Å; E196-R200 PolarHBondContact OE1-NH2 3.11Å; I197-R200 PolarHBondContact O-N 3.01Å; R200-N202 VanDerWaalsContact C-N 3.28Å; R200-N202 PolarHBondContact O-N 2.9Å
201K65.1Low73.5Confident168 Ų168125.2 Ų125.273%0.7362%0.621SS**Hα-helixtrans-73.2-15.9176.5-73.7-175.7177.5-173.10114I197 A198 Q199 L203I197-K201 WeakPolarHBondContact O-CG 3.2Å; I197-K201 PolarHBondContact O-N 3.31Å; I197-K201 VanDerWaalsContact O-N 3.12Å; A198-K201 PolarHBondContact O-N 2.71Å; Q199-K201 VanDerWaalsContact C-N 3.3Å; Q199-K201 PolarHBondContact O-N 3.45Å; K201-L203 VanDerWaalsContact C-N 3.33Å
202N61.7Low73.6Confident137 Ų137125.1 Ų125.173%0.73362%0.623SS**THydrogen-bonded Turntrans-92.622.9177.2-69-32.2000113.4Q199 R200Q199-N202 PolarHBondContact O-N 3.39Å; R200-N202 VanDerWaalsContact C-N 3.28Å; R200-N202 PolarHBondContact O-N 2.9Å
203L57.3Low73.5Confident128 Ų128126.6 Ų126.667%0.6762%0.62SS**  trans-83.7125.9171.4-100.572.5000110.4K201 E205K201-L203 VanDerWaalsContact C-N 3.33Å; L203-E205 PolarHBondContact O-N 3.37Å
204P53.1Low73.6Confident118 Ų118126.4 Ų126.477%0.76662%0.619SS**SBendtrans-69.6124.5176.629.7-30.6000108.8
205E58.8Low74Confident183 Ų183126.2 Ų126.286%0.85562%0.618SS**SBendtrans55.6104.7171.5-158169.3-175.800115.4L203 R207L203-E205 PolarHBondContact O-N 3.37Å; E205-R207 VanDerWaalsContact C-N 3.34Å; E205-R207 PolarHBondContact O-N 3.24Å
206V58.3Low74.4Confident134 Ų134126.1 Ų126.181%0.81262%0.617SS**  trans-5796.1171.8179.30000108.8R208V206-R208 PolarHBondContact O-N 2.97Å
207R67.7Low74.8Confident224 Ų224126.8 Ų126.885%0.84562%0.62SS**  trans-57.8114.7167.9-167.9177.1-179134.9-0.9106.4E205 L209E205-R207 VanDerWaalsContact C-N 3.34Å; E205-R207 PolarHBondContact O-N 3.24Å; R207-L209 PolarHBondContact O-N 3.42Å
208R68.9Low75.7Confident233 Ų233125.6 Ų125.688%0.87962%0.621SS**  trans-58.7115177.2-66.8-163.1-178.7-1651.7107.6V206 T210V206-R208 PolarHBondContact O-N 2.97Å; R208-T210 PolarHBondContact O-N 2.92Å
209L72.9Confident76.5Confident69 Ų69130.1 Ų130.136%0.36163%0.632SS.*  trans-53.8127.9-178.2-162.868.9000108.3R207 E213 L214R207-L209 PolarHBondContact O-N 3.42Å; L209-E213 HydrophobicContact CD1-CB 3.44Å; L209-E213 VanDerWaalsContact CD1-CB 3.44Å; L209-E213 HydrophobicContact CD1-CG 4.05Å; L209-E213 VanDerWaalsContact CD1-OE2 3.32Å; L209-E213 WeakPolarHBondContact CD1-OE2 3.45Å; L209-E213 HydrophobicContact CD2-CB 3.92Å; L209-E213 HydrophobicContact CG-CB 3.35Å; L209-E213 HydrophobicContact CG-CG 4.42Å; L209-L214 HydrophobicContact CB-CD2 4.43Å; L209-L214 HydrophobicContact CB-CG 4.16Å; L209-L214 HydrophobicContact CD2-CD2 3.95Å; L209-L214 HydrophobicContact CD2-CG 3.98Å; L209-L214 HydrophobicContact CG-CG 4.28Å
210T85.9Confident77.7Confident68 Ų68128.3 Ų128.342%0.41763%0.625SS.*  trans-60.8155.8-179.959.90000109.5R208 E212 E213 L214R208-T210 PolarHBondContact O-N 2.92Å; T210-E212 PolarHBondContact O-N 3.47Å; T210-E212 VanDerWaalsContact O-N 3.13Å; T210-E213 WeakPolarHBondContact CB-OE2 3.48Å; T210-E213 PolarHBondContact N-OE2 2.82Å; T210-E213 PolarHBondContact O-N 2.9Å; T210-E213 VanDerWaalsContact OG1-CG 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.42Å; T210-E213 PolarHBondContact OG1-OE2 3.24Å; T210-L214 PolarHBondContact O-N 3.2Å
211Q87.4Confident78.8Confident157 Ų157123.1 Ų123.173%0.73461%0.613SS**Hα-helixtrans-55.9-34.2-178.7-174.4175.74.300112.3L215Q211-L215 WeakPolarHBondContact O-CG 3.43Å; Q211-L215 PolarHBondContact O-N 2.89Å; Q211-L215 VanDerWaalsContact O-N 3.08Å
212E90.4Very high80.2Confident160 Ų160121.4 Ų121.475%0.74861%0.607SS**Hα-helixtrans-67.2-41.5177-63.9-175169.700112.6T210 L215 A216T210-E212 PolarHBondContact O-N 3.47Å; T210-E212 VanDerWaalsContact O-N 3.13Å; E212-L215 PolarHBondContact O-N 3.09Å; E212-A216 PolarHBondContact O-N 2.92Å
213E88Confident81.9Confident92 Ų92121.8 Ų121.843%0.4361%0.605SS.*Hα-helixtrans-69.4-36.1177.8-73.116714900111.5L209 T210 L215 A216 E217L209-E213 HydrophobicContact CD1-CB 3.44Å; L209-E213 VanDerWaalsContact CD1-CB 3.44Å; L209-E213 HydrophobicContact CD1-CG 4.05Å; L209-E213 VanDerWaalsContact CD1-OE2 3.32Å; L209-E213 WeakPolarHBondContact CD1-OE2 3.45Å; L209-E213 HydrophobicContact CD2-CB 3.92Å; L209-E213 HydrophobicContact CG-CB 3.35Å; L209-E213 HydrophobicContact CG-CG 4.42Å; T210-E213 WeakPolarHBondContact CB-OE2 3.48Å; T210-E213 PolarHBondContact N-OE2 2.82Å; T210-E213 PolarHBondContact O-N 2.9Å; T210-E213 VanDerWaalsContact OG1-CG 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.42Å; T210-E213 PolarHBondContact OG1-OE2 3.24Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.16Å; E213-A216 PolarHBondContact O-N 3.46Å; E213-E217 PolarHBondContact O-N 3.27Å
214L87.5Confident83.6Confident94 Ų94120.6 Ų120.649%0.49260%0.598SS.*Hα-helixtrans-60.4-42.2169.9-78.6165.9000111.6L209 T210 A216 E217 A218L209-L214 HydrophobicContact CB-CD2 4.43Å; L209-L214 HydrophobicContact CB-CG 4.16Å; L209-L214 HydrophobicContact CD2-CD2 3.95Å; L209-L214 HydrophobicContact CD2-CG 3.98Å; L209-L214 HydrophobicContact CG-CG 4.28Å; T210-L214 PolarHBondContact O-N 3.2Å; L214-A216 VanDerWaalsContact C-N 3.32Å; L214-E217 PolarHBondContact O-N 3.31Å; L214-A218 VanDerWaalsContact O-CB 3.28Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 3.3Å
215L92.7Very high85.5Confident101 Ų101119.9 Ų119.953%0.52959%0.588SS.*Hα-helixtrans-67.4-32.5175.7-70.5174000112.2Q211 E212 E213 K219Q211-L215 WeakPolarHBondContact O-CG 3.43Å; Q211-L215 PolarHBondContact O-N 2.89Å; Q211-L215 VanDerWaalsContact O-N 3.08Å; E212-L215 PolarHBondContact O-N 3.09Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.16Å; L215-K219 WeakPolarHBondContact O-CG 3.5Å; L215-K219 PolarHBondContact O-N 3.33Å; L215-K219 VanDerWaalsContact O-N 3.11Å
216A93.2Very high87.3Confident47 Ų47120.6 Ų120.639%0.38858%0.583SS.*Hα-helixtrans-69.6-43.517500000111.9E212 E213 L214 K219 I220E212-A216 PolarHBondContact O-N 2.92Å; E213-A216 PolarHBondContact O-N 3.46Å; L214-A216 VanDerWaalsContact C-N 3.32Å; A216-K219 PolarHBondContact O-N 2.91Å; A216-I220 WeakPolarHBondContact O-CG1 3.41Å; A216-I220 PolarHBondContact O-N 3.11Å; A216-I220 VanDerWaalsContact O-N 3.16Å
217E89.1Confident89.1Confident110 Ų110124.1 Ų124.151%0.51458%0.581SS.*Hα-helixtrans-65.2-39.6174.8-171.8174.7-17500111.6E213 L214 K219 I220 T221E213-E217 PolarHBondContact O-N 3.27Å; L214-E217 PolarHBondContact O-N 3.31Å; E217-K219 VanDerWaalsContact C-N 3.31Å; E217-K219 PolarHBondContact O-N 2.85Å; E217-I220 PolarHBondContact O-N 3.13Å; E217-T221 HydrophobicContact CG-CG2 4.44Å; E217-T221 WeakPolarHBondContact O-CG2 3.45Å; E217-T221 PolarHBondContact O-N 3.37Å; E217-T221 PolarHBondContact O-OG1 3.16Å
218A94.2Very high90.2Very high50 Ų50116.6 Ų116.641%0.41356%0.563SS.*Hα-helixtrans-58.4-41173.400000112.1L214 T221 E222L214-A218 VanDerWaalsContact O-CB 3.28Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 3.3Å; A218-T221 WeakPolarHBondContact CA-OG1 3.22Å; A218-T221 PolarHBondContact O-OG1 2.93Å; A218-E222 VanDerWaalsContact O-CB 3.3Å; A218-E222 WeakPolarHBondContact O-CB 3.47Å; A218-E222 PolarHBondContact O-N 3.25Å
219K96Very high91.3Very high147 Ų147110 Ų11064%0.63955%0.545SS*.Hα-helixtrans-65-41.7176-74.4171.3-177177.30112.7L215 A216 E217 E222 E223L215-K219 WeakPolarHBondContact O-CG 3.5Å; L215-K219 PolarHBondContact O-N 3.33Å; L215-K219 VanDerWaalsContact O-N 3.11Å; A216-K219 PolarHBondContact O-N 2.91Å; E217-K219 VanDerWaalsContact C-N 3.31Å; E217-K219 PolarHBondContact O-N 2.85Å; K219-E222 PolarHBondContact O-N 3.44Å; K219-E223 PolarHBondContact O-N 3.04Å
220I95.2Very high92.4Very high102 Ų102108.6 Ų108.652%0.52354%0.543SS..Hα-helixtrans-66.9-44.5179.3-65.1166.7000110.2A216 E217 E222 E223 I224A216-I220 WeakPolarHBondContact O-CG1 3.41Å; A216-I220 PolarHBondContact O-N 3.11Å; A216-I220 VanDerWaalsContact O-N 3.16Å; E217-I220 PolarHBondContact O-N 3.13Å; I220-E222 VanDerWaalsContact C-N 3.35Å; I220-E223 PolarHBondContact O-N 3.38Å; I220-I224 HydrophobicContact CG2-CD1 3.93Å; I220-I224 WeakPolarHBondContact O-CG1 3.38Å; I220-I224 PolarHBondContact O-N 3.02Å
221T91.7Very high92.7Very high63 Ų63114 Ų11439%0.38756%0.556SS.*Hα-helixtrans-65.4-37.6177.4520000111.9E217 A218 I224 N225E217-T221 HydrophobicContact CG-CG2 4.44Å; E217-T221 WeakPolarHBondContact O-CG2 3.45Å; E217-T221 PolarHBondContact O-N 3.37Å; E217-T221 PolarHBondContact O-OG1 3.16Å; A218-T221 WeakPolarHBondContact CA-OG1 3.22Å; A218-T221 PolarHBondContact O-OG1 2.93Å; T221-I224 PolarHBondContact O-N 3.19Å; T221-N225 VanDerWaalsContact O-CB 3.31Å; T221-N225 WeakPolarHBondContact O-CB 3.35Å; T221-N225 PolarHBondContact O-N 2.9Å; T221-N225 PolarHBondContact O-ND2 3.22Å
222E94.3Very high93Very high132 Ų132113.8 Ų113.862%0.61755%0.549SS*.Hα-helixtrans-60.3-44.1172-170.7-173.7170.900111.6A218 K219 I220 N225 R226A218-E222 VanDerWaalsContact O-CB 3.3Å; A218-E222 WeakPolarHBondContact O-CB 3.47Å; A218-E222 PolarHBondContact O-N 3.25Å; K219-E222 PolarHBondContact O-N 3.44Å; I220-E222 VanDerWaalsContact C-N 3.35Å; E222-N225 PolarHBondContact O-N 2.94Å; E222-R226 VanDerWaalsContact O-CB 3.31Å; E222-R226 WeakPolarHBondContact O-CB 3.49Å; E222-R226 PolarHBondContact O-N 3.16Å
223E96.3Very high93.2Very high146 Ų146111.3 Ų111.368%0.68254%0.538SS*.Hα-helixtrans-64.3-42.2177.6-168.3177.1-17800112K219 I220 R226 R227K219-E223 PolarHBondContact O-N 3.04Å; I220-E223 PolarHBondContact O-N 3.38Å; E223-R226 PolarHBondContact O-N 3.43Å; E223-R227 WeakPolarHBondContact O-CB 3.5Å; E223-R227 PolarHBondContact O-N 3.49Å
224I94.5Very high93.4Very high102 Ų102115.4 Ų115.452%0.52355%0.549SS..Hα-helixtrans-62.8-45.1175.5-67.5167.1000110.5I220 T221 R226 R227 S228I220-I224 HydrophobicContact CG2-CD1 3.93Å; I220-I224 WeakPolarHBondContact O-CG1 3.38Å; I220-I224 PolarHBondContact O-N 3.02Å; T221-I224 PolarHBondContact O-N 3.19Å; I224-R226 VanDerWaalsContact C-N 3.35Å; I224-R226 PolarHBondContact O-N 3.12Å; I224-R227 PolarHBondContact O-N 3.03Å; I224-S228 PolarHBondContact O-N 3.16Å; I224-S228 PolarHBondContact O-OG 3.5Å
225N92.2Very high93.6Very high103 Ų103114.8 Ų114.855%0.55155%0.546SS*.Hα-helixtrans-64.3-39.6177.9-73.6-16.8000111.7T221 E222 R227 S228 L229T221-N225 VanDerWaalsContact O-CB 3.31Å; T221-N225 WeakPolarHBondContact O-CB 3.35Å; T221-N225 PolarHBondContact O-N 2.9Å; T221-N225 PolarHBondContact O-ND2 3.22Å; E222-N225 PolarHBondContact O-N 2.94Å; N225-R227 VanDerWaalsContact C-N 3.34Å; N225-R227 PolarHBondContact O-N 3.26Å; N225-S228 WeakPolarHBondContact CA-OG 3.37Å; N225-S228 PolarHBondContact O-N 3.34Å; N225-S228 PolarHBondContact O-OG 2.97Å; N225-L229 VanDerWaalsContact O-CB 3.25Å; N225-L229 WeakPolarHBondContact O-CB 3.45Å; N225-L229 PolarHBondContact O-N 2.94Å
226R96.2Very high93.4Very high199 Ų199113.5 Ų113.575%0.75154%0.537SS*.Hα-helixtrans-64.5-40.2175.5-169.6176.6-178.8-179.91111.4E222 E223 I224 A230E222-R226 VanDerWaalsContact O-CB 3.31Å; E222-R226 WeakPolarHBondContact O-CB 3.49Å; E222-R226 PolarHBondContact O-N 3.16Å; E223-R226 PolarHBondContact O-N 3.43Å; I224-R226 VanDerWaalsContact C-N 3.35Å; I224-R226 PolarHBondContact O-N 3.12Å; R226-A230 WeakPolarHBondContact O-CB 3.42Å; R226-A230 PolarHBondContact O-N 3.17Å
227R95.8Very high93.2Very high207 Ų207115.3 Ų115.378%0.78154%0.539SS*.Hα-helixtrans-69.5-41.1178-171.1175.7-180168.6-0.5112.3E223 I224 N225 A230 R231E223-R227 WeakPolarHBondContact O-CB 3.5Å; E223-R227 PolarHBondContact O-N 3.49Å; I224-R227 PolarHBondContact O-N 3.03Å; N225-R227 VanDerWaalsContact C-N 3.34Å; N225-R227 PolarHBondContact O-N 3.26Å; R227-A230 PolarHBondContact O-N 3.26Å; R227-R231 PolarHBondContact O-N 3.34Å
228S91.3Very high93.1Very high66 Ų66115.6 Ų115.646%0.46254%0.541SS..Hα-helixtrans-66.2-42.1177.6660000111.3I224 N225 R231 Y232I224-S228 PolarHBondContact O-N 3.16Å; I224-S228 PolarHBondContact O-OG 3.5Å; N225-S228 WeakPolarHBondContact CA-OG 3.37Å; N225-S228 PolarHBondContact O-N 3.34Å; N225-S228 PolarHBondContact O-OG 2.97Å; S228-R231 PolarHBondContact O-N 2.66Å; S228-Y232 PolarHBondContact O-N 2.84Å
229L93.3Very high92.8Very high95 Ų95121.3 Ų121.350%0.49756%0.556SS.*Hα-helixtrans-61.2-45.7174.2-169.4163.1000111.4N225 R231 Y232 Q233N225-L229 VanDerWaalsContact O-CB 3.25Å; N225-L229 WeakPolarHBondContact O-CB 3.45Å; N225-L229 PolarHBondContact O-N 2.94Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 PolarHBondContact O-N 3.32Å; L229-Y232 WeakPolarHBondContact O-CB 3.49Å; L229-Y232 PolarHBondContact O-N 3.5Å; L229-Y232 VanDerWaalsContact O-N 3.16Å; L229-Q233 VanDerWaalsContact CD2-CD 3.44Å; L229-Q233 HydrophobicContact CD2-CG 3.89Å; L229-Q233 WeakPolarHBondContact O-CG 3.4Å; L229-Q233 PolarHBondContact O-N 3.04Å
230A95.5Very high92.3Very high39 Ų39121.7 Ų121.732%0.32256%0.558SS.*Hα-helixtrans-61.2-38.5176.800000112.6R226 R227 R234R226-A230 WeakPolarHBondContact O-CB 3.42Å; R226-A230 PolarHBondContact O-N 3.17Å; R227-A230 PolarHBondContact O-N 3.26Å; A230-R234 WeakPolarHBondContact O-CG 3.47Å; A230-R234 PolarHBondContact O-N 3.03Å; A230-R234 VanDerWaalsContact O-N 3.13Å
231R92.4Very high91.7Very high183 Ų183124.4 Ų124.469%0.69157%0.566SS**Hα-helixtrans-64.6-43.6173.8-174.2-177.8177.2-154.9-1111.2R227 S228 L229 Q233 R234 L235R227-R231 PolarHBondContact O-N 3.34Å; S228-R231 PolarHBondContact O-N 2.66Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 PolarHBondContact O-N 3.32Å; R231-Q233 PolarHBondContact O-N 3.43Å; R231-R234 WeakPolarHBondContact O-CB 3.47Å; R231-R234 PolarHBondContact O-N 3.05Å; R231-L235 PolarHBondContact O-N 3.31Å; R231-L235 VanDerWaalsContact O-N 3.12Å
232Y92.7Very high90.9Very high152 Ų152125 Ų12560%0.59658%0.577SS**Hα-helixtrans-61.1-44.1177.2-176.6-97000111.9S228 L229 R234 L235 E236S228-Y232 PolarHBondContact O-N 2.84Å; L229-Y232 WeakPolarHBondContact O-CB 3.49Å; L229-Y232 PolarHBondContact O-N 3.5Å; L229-Y232 VanDerWaalsContact O-N 3.16Å; Y232-R234 VanDerWaalsContact C-N 3.31Å; Y232-R234 PolarHBondContact O-N 3.11Å; Y232-L235 PolarHBondContact O-N 3.12Å; Y232-E236 HydrophobicContact CD1-CG 4.28Å; Y232-E236 HydrophobicContact CE1-CG 3.78Å; Y232-E236 PolarHBondContact O-N 2.93Å
233Q94.3Very high89.7Confident108 Ų108129.6 Ų129.651%0.50559%0.589SS.*Hα-helixtrans-59.3-40.2175-74.9179.3-12.800112.5L229 R231 E236 I237L229-Q233 VanDerWaalsContact CD2-CD 3.44Å; L229-Q233 HydrophobicContact CD2-CG 3.89Å; L229-Q233 WeakPolarHBondContact O-CG 3.4Å; L229-Q233 PolarHBondContact O-N 3.04Å; R231-Q233 PolarHBondContact O-N 3.43Å; Q233-E236 WeakPolarHBondContact O-CB 3.5Å; Q233-E236 PolarHBondContact O-N 2.98Å; Q233-I237 WeakPolarHBondContact O-CB 3.45Å; Q233-I237 WeakPolarHBondContact O-CD1 3.45Å; Q233-I237 WeakPolarHBondContact O-CG1 3.47Å; Q233-I237 PolarHBondContact O-N 3.29Å
234R93.6Very high88.4Confident177 Ų177129.9 Ų129.967%0.66859%0.594SS**Hα-helixtrans-61.4-45.6175.4-72.7178-176.2178.51.1111.7A230 R231 Y232 I237 E238A230-R234 WeakPolarHBondContact O-CG 3.47Å; A230-R234 PolarHBondContact O-N 3.03Å; A230-R234 VanDerWaalsContact O-N 3.13Å; R231-R234 WeakPolarHBondContact O-CB 3.47Å; R231-R234 PolarHBondContact O-N 3.05Å; Y232-R234 VanDerWaalsContact C-N 3.31Å; Y232-R234 PolarHBondContact O-N 3.11Å; R234-I237 PolarHBondContact O-N 3.13Å; R234-E238 WeakPolarHBondContact O-CG 3.34Å; R234-E238 PolarHBondContact O-N 2.84Å
235L90.4Very high87.1Confident82 Ų82133.3 Ų133.343%0.42961%0.608SS.*Hα-helixtrans-64.7-39.6177.8-70173.6000112.5R231 Y232 E238 K239R231-L235 PolarHBondContact O-N 3.31Å; R231-L235 VanDerWaalsContact O-N 3.12Å; Y232-L235 PolarHBondContact O-N 3.12Å; L235-E238 PolarHBondContact O-N 2.9Å; L235-K239 WeakPolarHBondContact O-CB 3.44Å; L235-K239 WeakPolarHBondContact O-CG 3.43Å; L235-K239 PolarHBondContact O-N 3.48Å
236E89.2Confident86.1Confident73 Ų73137.4 Ų137.434%0.34162%0.62SS.*Hα-helixtrans-59.2-44.6172.4-99.4-95.6139.500111.8Y232 Q233 K239 K240Y232-E236 HydrophobicContact CD1-CG 4.28Å; Y232-E236 HydrophobicContact CE1-CG 3.78Å; Y232-E236 PolarHBondContact O-N 2.93Å; Q233-E236 WeakPolarHBondContact O-CB 3.5Å; Q233-E236 PolarHBondContact O-N 2.98Å; E236-K239 PolarHBondContact O-N 3.46Å; E236-K240 WeakPolarHBondContact O-CB 3.31Å; E236-K240 WeakPolarHBondContact O-CG 3.31Å; E236-K240 PolarHBondContact O-N 2.89Å; E236-K240 IonicContact OE2-NZ 3.58Å; E236-K240 PolarHBondContact OE2-NZ 2.82Å
237I90Very high84.9Confident85 Ų85133.3 Ų133.344%0.43662%0.617SS.*Hα-helixtrans-66-42177.4-69.2164.7000110.7Q233 R234 K240 K241Q233-I237 WeakPolarHBondContact O-CB 3.45Å; Q233-I237 WeakPolarHBondContact O-CD1 3.45Å; Q233-I237 WeakPolarHBondContact O-CG1 3.47Å; Q233-I237 PolarHBondContact O-N 3.29Å; R234-I237 PolarHBondContact O-N 3.13Å; I237-K240 PolarHBondContact O-N 2.74Å; I237-K241 HydrophobicContact CG2-CD 3.84Å; I237-K241 HydrophobicContact CG2-CG 4.35Å; I237-K241 WeakPolarHBondContact O-CB 3.25Å; I237-K241 VanDerWaalsContact O-CG 3.24Å; I237-K241 WeakPolarHBondContact O-CG 3.45Å; I237-K241 PolarHBondContact O-N 3.13Å
238E86.8Confident83.6Confident117 Ų117129.6 Ų129.655%0.54762%0.618SS.*Hα-helixtrans-63.4-44.6176.4-76.2171.9-175.100111.8R234 L235 K240 K241 A242R234-E238 WeakPolarHBondContact O-CG 3.34Å; R234-E238 PolarHBondContact O-N 2.84Å; L235-E238 PolarHBondContact O-N 2.9Å; E238-K240 VanDerWaalsContact C-N 3.31Å; E238-K240 PolarHBondContact O-N 3.25Å; E238-K241 PolarHBondContact O-N 2.95Å; E238-K241 VanDerWaalsContact O-N 3.11Å; E238-A242 PolarHBondContact O-N 2.97Å
239K87.3Confident82.5Confident169 Ų169131.5 Ų131.574%0.73562%0.623SS**Hα-helixtrans-58.9-41.6173.3-77.4-176.9178-177.30112L235 E236 K241 A242L235-K239 WeakPolarHBondContact O-CB 3.44Å; L235-K239 WeakPolarHBondContact O-CG 3.43Å; L235-K239 PolarHBondContact O-N 3.48Å; E236-K239 PolarHBondContact O-N 3.46Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-A242 PolarHBondContact O-N 2.93Å
240K85.2Confident81.6Confident155 Ų155132.7 Ų132.767%0.67464%0.639SS**Hα-helixtrans-68.6-30.3176-77168.5173.2156.10113.1E236 I237 E238E236-K240 WeakPolarHBondContact O-CB 3.31Å; E236-K240 WeakPolarHBondContact O-CG 3.31Å; E236-K240 PolarHBondContact O-N 2.89Å; E236-K240 IonicContact OE2-NZ 3.58Å; E236-K240 PolarHBondContact OE2-NZ 2.82Å; I237-K240 PolarHBondContact O-N 2.74Å; E238-K240 VanDerWaalsContact C-N 3.31Å; E238-K240 PolarHBondContact O-N 3.25Å
241K83.2Confident80.7Confident160 Ų160135.1 Ų135.170%0.69665%0.65SS**Hα-helixtrans-77.5-25.5178.3-76.5172.7178176.80113.2I237 E238 K239 R243I237-K241 HydrophobicContact CG2-CD 3.84Å; I237-K241 HydrophobicContact CG2-CG 4.35Å; I237-K241 WeakPolarHBondContact O-CB 3.25Å; I237-K241 VanDerWaalsContact O-CG 3.24Å; I237-K241 WeakPolarHBondContact O-CG 3.45Å; I237-K241 PolarHBondContact O-N 3.13Å; E238-K241 PolarHBondContact O-N 2.95Å; E238-K241 VanDerWaalsContact O-N 3.11Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K241-R243 PolarHBondContact O-N 3.14Å
242A74.7Confident80.2Confident75 Ų75131.2 Ų131.262%0.6265%0.648SS**  trans-73.673.3176.900000111.8E238 K239 I244E238-A242 PolarHBondContact O-N 2.97Å; K239-A242 PolarHBondContact O-N 2.93Å; A242-I244 PolarHBondContact O-N 3.23Å
243R69Low79.7Confident228 Ų228128.3 Ų128.386%0.8664%0.641SS**  trans-83.8106.4173.9-158.3179-170.4-160.13.1109.3K241 Q245K241-R243 PolarHBondContact O-N 3.14Å; R243-Q245 PolarHBondContact O-N 3.11Å
244I68.1Low79.5Confident152 Ų152127.5 Ų127.578%0.77964%0.639SS**  trans-63.7101.4175.4-56.7167.8000108.6A242 K246A242-I244 PolarHBondContact O-N 3.23Å; I244-K246 PolarHBondContact O-N 3.15Å
245Q67.2Low79.3Confident175 Ų175125.5 Ų125.582%0.81863%0.632SS**  trans-73.8107167.5-89.2-176-6.100108.4R243 T247R243-Q245 PolarHBondContact O-N 3.11Å; Q245-T247 PolarHBondContact O-N 2.74Å; Q245-T247 VanDerWaalsContact O-N 3.09Å
246K71.4Confident79.4Confident188 Ų188128.1 Ų128.182%0.81764%0.637SS**  trans-66.9108.1168.1-64.8-175.7179.4-1790107.5I244 V248I244-K246 PolarHBondContact O-N 3.15Å; K246-V248 PolarHBondContact O-N 2.93Å; K246-V248 VanDerWaalsContact O-N 3.07Å
247T71.3Confident79.6Confident113 Ų113128.4 Ų128.469%0.69364%0.638SS**  trans-65.4110.2173.554.20000108Q245 N249Q245-T247 PolarHBondContact O-N 2.74Å; Q245-T247 VanDerWaalsContact O-N 3.09Å; T247-N249 PolarHBondContact O-N 3.17Å; T247-N249 VanDerWaalsContact O-N 3.15Å
248V69Low79.8Confident130 Ų130128.3 Ų128.379%0.78865%0.645SS**  trans-75.5103.5171.7-1740000106K246 S250K246-V248 PolarHBondContact O-N 2.93Å; K246-V248 VanDerWaalsContact O-N 3.07Å; V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 PolarHBondContact O-N 3.4Å
249N67.5Low80Confident106 Ų106126.7 Ų126.757%0.56764%0.637SS**  trans-67.796.6174.4-65.4-8.2000107.7T247 T251T247-N249 PolarHBondContact O-N 3.17Å; T247-N249 VanDerWaalsContact O-N 3.15Å; N249-T251 PolarHBondContact O-N 3.22Å
250S74.2Confident80.2Confident119 Ų119123.6 Ų123.683%0.83263%0.632SS**  trans-86.666.7172.8-1690000108.6V248V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 PolarHBondContact O-N 3.4Å
251T77.8Confident80.2Confident90 Ų90118.3 Ų118.355%0.55261%0.612SS**  trans-99143.9167.440.10000109.2N249 M253N249-T251 PolarHBondContact O-N 3.22Å; T251-M253 PolarHBondContact O-N 2.99Å
252P81.6Confident80Confident102 Ų102112.7 Ų112.766%0.66259%0.592SS**  trans-59.3112.3173.423.8-31.2000108.5A304P252-A304 VanDerWaalsContact CA-CB 3.5Å; P252-A304 HydrophobicContact CB-CB 3.3Å
253M82.8Confident80.1Confident91 Ų91111.2 Ų111.245%0.44857%0.574SS.*  trans-122.2147.1-178.578.3176.264.800111T251T251-M253 PolarHBondContact O-N 2.99Å
254I89.1Confident80.2Confident90 Ų90105.1 Ų105.146%0.46256%0.557SS.*  trans-82.2125.6166-57171.5000107.5I301 T302 F303I254-I301 HydrophobicContact CG2-CG2 3.56Å; I254-T302 CarbonylContact C-O 3.57Å; I254-T302 WeakPolarHBondContact CA-O 3.4Å; I254-F303 HydrophobicContact CD1-CD1 3.85Å; I254-F303 HydrophobicContact CD1-CE1 3.72Å; I254-F303 HydrophobicContact CG1-CD1 3.75Å; I254-F303 HydrophobicContact CG1-CE1 4.06Å; I254-F303 HydrophobicContact CG2-CD1 4.19Å; I254-F303 HydrophobicContact CG2-CE1 4.06Å; I254-F303 HydrophobicContact CG2-CZ 4.46Å
255R89Confident80.1Confident135 Ų135106.7 Ų106.751%0.50956%0.561SS.*EExtended strand (participates in β ladder)trans-114.6130.4-179-162.4178.1-67.7-176.13.6110.8H257 T302R255-H257 WeakPolarHBondContact CD-CE1 3.34Å; R255-H257 VanDerWaalsContact CD-NE2 3.28Å; R255-H257 WeakPolarHBondContact CD-NE2 3.47Å; R255-T302 PolarHBondContact N-O 3.44Å; R255-T302 PolarHBondContact O-N 2.97Å
256Y92.8Very high79.8Confident137 Ų137105.4 Ų105.454%0.53756%0.555SS.*EExtended strand (participates in β ladder)trans-100125.8177.1-170.4-92.7000110.2N299 I301Y256-N299 HydrophobicContact CE1-CB 4.43Å; Y256-N299 HydrophobicContact CE2-CB 3.91Å; Y256-N299 VanDerWaalsContact CZ-CG 3.47Å; Y256-N299 PolarHBondContact OH-ND2 3.45Å; Y256-N299 PolarHBondContact OH-OD1 2.94Å; Y256-I301 HydrophobicContact CD2-CD1 4.42Å; Y256-I301 HydrophobicContact CD2-CG1 3.96Å; Y256-I301 HydrophobicContact CE2-CG1 4.29Å
257H93.8Very high78.9Confident79 Ų7997.8 Ų97.837%0.36652%0.522SS..EExtended strand (participates in β ladder)trans-120.1115.6177.1-64.4-71.1000109.2R255 N299 L300R255-H257 WeakPolarHBondContact CD-CE1 3.34Å; R255-H257 VanDerWaalsContact CD-NE2 3.28Å; R255-H257 WeakPolarHBondContact CD-NE2 3.47Å; H257-N299 CarbonylContact O-C 3.52Å; H257-N299 WeakPolarHBondContact O-CA 3.32Å; H257-L300 HydrophobicContact CB-CB 4.19Å; H257-L300 PolarHBondContact N-O 2.84Å; H257-L300 PolarHBondContact O-N 3.28Å
258S93.1Very high78.2Confident84 Ų84100.4 Ų100.459%0.58753%0.526SS*.EExtended strand (participates in β ladder)trans-107.4135.5172.651.80000110.2N299S258-N299 WeakPolarHBondContact CB-OD1 3.35Å
259F92.7Very high77.5Confident83 Ų83100.5 Ų100.536%0.36452%0.523SS..EExtended strand (participates in β ladder)trans-144.7162.4172.460.3-81.2000110.2V261 S297 R298 L300F259-V261 HydrophobicContact CD2-CG1 4.08Å; F259-V261 HydrophobicContact CD2-CG2 4.28Å; F259-V261 HydrophobicContact CE2-CG1 3.73Å; F259-V261 HydrophobicContact CE2-CG2 4.02Å; F259-S297 WeakPolarHBondContact O-CA 3.31Å; F259-R298 HydrophobicContact CE1-CB 4.32Å; F259-R298 HydrophobicContact CE1-CG 4.31Å; F259-R298 HydrophobicContact CE2-CB 4.07Å; F259-R298 HydrophobicContact CE2-CG 4.41Å; F259-R298 HydrophobicContact CZ-CB 3.94Å; F259-R298 HydrophobicContact CZ-CG 3.87Å; F259-R298 PolarHBondContact N-O 3.36Å; F259-R298 PolarHBondContact O-N 2.9Å; F259-L300 HydrophobicContact CD1-CD1 4.35Å; F259-L300 HydrophobicContact CE1-CD1 3.4Å; F259-L300 VanDerWaalsContact CE1-CD1 3.4Å; F259-L300 HydrophobicContact CE1-CG 3.74Å; F259-L300 HydrophobicContact CZ-CD1 4.03Å; F259-L300 HydrophobicContact CZ-CG 4.39Å
260T90.1Very high76.9Confident104 Ų10497.7 Ų97.764%0.63851%0.507SS*.EExtended strand (participates in β ladder)trans-96.6135.8179.746.30000110.4C296T260-C296 WeakPolarHBondContact CA-O 3.26Å
261V85.1Confident76Confident43 Ų4398.8 Ų98.826%0.26149%0.494SS..EExtended strand (participates in β ladder)trans-136.2152.8179-103.30000109.5F259 K295 C296 R298F259-V261 HydrophobicContact CD2-CG1 4.08Å; F259-V261 HydrophobicContact CD2-CG2 4.28Å; F259-V261 HydrophobicContact CE2-CG1 3.73Å; F259-V261 HydrophobicContact CE2-CG2 4.02Å; V261-K295 CarbonylContact O-C 3.36Å; V261-K295 WeakPolarHBondContact O-CA 3.46Å; V261-C296 PolarHBondContact N-O 2.87Å; V261-C296 PolarHBondContact O-N 3.06Å; V261-C296 VanDerWaalsContact O-O 3.08Å; V261-R298 HydrophobicContact CG2-CB 3.31Å; V261-R298 HydrophobicContact CG2-CG 4.34Å
262P78.7Confident74.9Confident43 Ų4395.3 Ų95.328%0.27948%0.476SS..EExtended strand (participates in β ladder)trans-64.9145.617624.8-30.6000111.5I264 T290 A294P262-I264 PolarHBondContact O-N 3.39Å; P262-T290 HydrophobicContact CB-CG2 3.91Å; P262-T290 HydrophobicContact CG-CG2 4.32Å; P262-A294 WeakPolarHBondContact CA-O 3.36Å
263I78.5Confident73.5Confident44 Ų4495.4 Ų95.423%0.22648%0.475CS..  trans-72.8111177.2-72.3165.7000109.1E266 A294 C296I263-E266 HydrophobicContact CG2-CB 4.13Å; I263-E266 HydrophobicContact CG2-CG 4.2Å; I263-A294 HydrophobicContact CB-CB 4.37Å; I263-A294 PolarHBondContact N-O 3.37Å; I263-C296 HydrophobicContact CD1-CB 4.27Å; I263-C296 HydrophobicContact CG1-CB 3.59Å
264I69.9Low72Confident99 Ų9996.4 Ų96.451%0.50848%0.481SS..  trans-86.3-34.1-177-63.3172.7000112.1P262 E266 Q267 I270P262-I264 PolarHBondContact O-N 3.39Å; I264-E266 VanDerWaalsContact C-N 3.28Å; I264-E266 PolarHBondContact O-N 3.35Å; I264-Q267 PolarHBondContact O-N 3.2Å; I264-I270 HydrophobicContact CG2-CD1 3.3Å; I264-I270 HydrophobicContact CG2-CG1 3.93Å
265E66.5Low70.3Confident185 Ų18595.9 Ų95.986%0.86449%0.49SS*.THydrogen-bonded Turntrans-66.9-24.1-170.6-69-178.5169.300114.3
266E60Low68.6Low148 Ų14895 Ų9569%0.69250%0.496SS*.THydrogen-bonded Turntrans-97.3-6.6179.4-66.5-179162.600113.1I263 I264I263-E266 HydrophobicContact CG2-CB 4.13Å; I263-E266 HydrophobicContact CG2-CG 4.2Å; I264-E266 VanDerWaalsContact C-N 3.28Å; I264-E266 PolarHBondContact O-N 3.35Å
267Q54.4Low67Low28 Ų2896.1 Ų96.113%0.13151%0.511CS..  trans-119.586.4-174.6-70.6177.4-9.500110.5I264 N269 I270 D291I264-Q267 PolarHBondContact O-N 3.2Å; Q267-N269 PolarHBondContact O-N 3.02Å; Q267-I270 WeakPolarHBondContact O-CG1 3.45Å; Q267-D291 VanDerWaalsContact NE2-N 3.16Å; Q267-D291 PolarHBondContact NE2-OD2 2.95Å
268H55.2Low65.4Low168 Ų16899.2 Ų99.278%0.77853%0.53SS*.SBendtrans-60.7-14.8-177.1-40.883000114.7
269N54.5Low63.7Low133 Ų133100.8 Ų100.871%0.71153%0.532SS*.  trans-116.863.5-176.3-67-19.5000111.2Q267 Y271Q267-N269 PolarHBondContact O-N 3.02Å; N269-Y271 PolarHBondContact O-N 2.91Å
270I55.2Low62.1Low47 Ų47106.9 Ų106.924%0.24156%0.562CS.*  trans-66.6-25.8-174-51.6157.1000112I264 Q267I264-I270 HydrophobicContact CG2-CD1 3.3Å; I264-I270 HydrophobicContact CG2-CG1 3.93Å; Q267-I270 WeakPolarHBondContact O-CG1 3.45Å
271Y55.1Low60.5Low141 Ų141107 Ų10755%0.55357%0.566SS**EExtended strand (participates in β ladder)trans-124.7121.1-177.7-61.7-78.5000110.2N269 V273 A285N269-Y271 PolarHBondContact O-N 2.91Å; Y271-V273 PolarHBondContact O-N 2.96Å; Y271-A285 HydrophobicContact CD1-CB 4.38Å
272G54.4Low59.1Low17 Ų17109.2 Ų109.218%0.17558%0.58CS.*EExtended strand (participates in β ladder)trans-68.4112.3161.200000108.6L274 G286G272-L274 PolarHBondContact O-N 3.21Å; G272-G286 WeakPolarHBondContact O-CA 3.44Å; G272-G286 PolarHBondContact O-N 3.36Å
273V52.7Low58.1Low105 Ų105114 Ų11464%0.63660%0.602SS**EExtended strand (participates in β ladder)trans-79.6102.1166.6178.90000106.5Y271 A275 I283Y271-V273 PolarHBondContact O-N 2.96Å; V273-A275 PolarHBondContact O-N 2.76Å; V273-I283 HydrophobicContact CG1-CG2 4.29Å
274L52.3Low57Low111 Ų111121.2 Ų121.258%0.58163%0.626SS**EExtended strand (participates in β ladder)trans-86.899.9167.9-71.3169.2000107.1G272 N276G272-L274 PolarHBondContact O-N 3.21Å; L274-N276 PolarHBondContact O-N 2.85Å
275A52.1Low56.2Low79 Ų79120.3 Ų120.365%0.65363%0.634SS**  trans-75.8105.616400000107.3V273 N277V273-A275 PolarHBondContact O-N 2.76Å; A275-N277 PolarHBondContact O-N 2.92Å
276N53.9Low55.8Low118 Ų118112 Ų11263%0.63160%0.598SS**  trans-69.6120.9164.6-69.3-23.5000106.4L274 D278 D279L274-N276 PolarHBondContact O-N 2.85Å; N276-D278 PolarHBondContact O-N 3.49Å; N276-D279 PolarHBondContact O-N 3.33Å
277N59Low55.8Low159 Ų159110 Ų11085%0.8560%0.597SS**THydrogen-bonded Turntrans-64-2.8-174.5-70.5-33.2000114.4A275A275-N277 PolarHBondContact O-N 2.92Å
278D60.5Low55.9Low145 Ų145113.2 Ų113.278%0.77562%0.615SS**THydrogen-bonded Turntrans-102.6-12.3-172-58.5-29.9000114N276N276-D278 PolarHBondContact O-N 3.49Å
279D57.4Low56.1Low116 Ų116110.7 Ų110.762%0.6261%0.606SS**  trans-146.296.4178.3-73.4-50000112.1N276 S281N276-D279 PolarHBondContact O-N 3.33Å; D279-S281 PolarHBondContact O-N 3.37Å
280E58Low56.4Low212 Ų212105.8 Ų105.899%0.99158%0.581SS**THydrogen-bonded Turntrans-59.9-4.4-179.2-83.8-165.1151.900115.4
281S58Low56.9Low105 Ų105108.7 Ų108.773%0.73460%0.597SS**THydrogen-bonded Turntrans-106.9-7.2-17157.80000115.8D279D279-S281 PolarHBondContact O-N 3.37Å
282T55.5Low57.5Low90 Ų90107.3 Ų107.355%0.55261%0.605SS**  trans-121.988.3-176.7-44.30000112.5R284T282-R284 HydrophobicContact CG2-CG 4.31Å; T282-R284 PolarHBondContact O-N 2.98Å
283I57Low58.5Low144 Ų144112 Ų11274%0.73864%0.635SS**  trans-71.398.7168.2-56.5173000108V273V273-I283 HydrophobicContact CG1-CG2 4.29Å
284R56.3Low59.6Low195 Ų195108.1 Ų108.174%0.73661%0.614SS**EExtended strand (participates in β ladder)trans-84.1129.4167.1-82.6-166.6175.7-164.61.1109.5T282 G286T282-R284 HydrophobicContact CG2-CG 4.31Å; T282-R284 PolarHBondContact O-N 2.98Å; R284-G286 PolarHBondContact O-N 3.03Å; R284-G286 VanDerWaalsContact O-N 3.13Å
285A53.1Low60.9Low81 Ų81109.4 Ų109.467%0.66962%0.615SS**EExtended strand (participates in β ladder)trans-60.9115.2168.300000108.8Y271Y271-A285 HydrophobicContact CD1-CB 4.38Å
286G57.9Low62.5Low11 Ų11108.1 Ų108.111%0.11360%0.601CS.*EExtended strand (participates in β ladder)trans-69.8170.2174.600000112.2G272 R284G272-G286 WeakPolarHBondContact O-CA 3.44Å; G272-G286 PolarHBondContact O-N 3.36Å; R284-G286 PolarHBondContact O-N 3.03Å; R284-G286 VanDerWaalsContact O-N 3.13Å
287P58.6Low64.1Low104 Ų104106.7 Ų106.768%0.67560%0.6SS**EExtended strand (participates in β ladder)trans-56.1141.5175.924.5-32.7000110.5I289P287-I289 PolarHBondContact O-N 3.31Å; P287-I289 VanDerWaalsContact O-N 3.09Å
288I58.3Low65.5Low97 Ų97106.4 Ų106.450%0.49759%0.587SS.*EExtended strand (participates in β ladder)trans-60113.3-179.6-63.3171000108.4T290I288-T290 HydrophobicContact CG2-CG2 3.24Å; I288-T290 WeakPolarHBondContact CG2-OG1 3.32Å; I288-T290 PolarHBondContact O-N 3.03Å; I288-T290 VanDerWaalsContact O-N 3.09Å
289I59.3Low67Low115 Ų115102.9 Ų102.959%0.5957%0.568SS**  trans-8771.3176.3-50175.8000107P287P287-I289 PolarHBondContact O-N 3.31Å; P287-I289 VanDerWaalsContact O-N 3.09Å
290T59.7Low68.7Low30 Ų30101.4 Ų101.418%0.18456%0.56CS.*  trans-110.5133.5171.755.50000109P262 I288P262-T290 HydrophobicContact CB-CG2 3.91Å; P262-T290 HydrophobicContact CG-CG2 4.32Å; I288-T290 HydrophobicContact CG2-CG2 3.24Å; I288-T290 WeakPolarHBondContact CG2-OG1 3.32Å; I288-T290 PolarHBondContact O-N 3.03Å; I288-T290 VanDerWaalsContact O-N 3.09Å
291D65.7Low70.3Confident107 Ų10795.7 Ų95.757%0.57254%0.535SS*.  trans-53.6123.4173.6-70.3-43.9000110Q267 S293 A294Q267-D291 VanDerWaalsContact NE2-N 3.16Å; Q267-D291 PolarHBondContact NE2-OD2 2.95Å; D291-S293 PolarHBondContact O-N 3.25Å; D291-A294 HydrophobicContact CB-CB 4.25Å; D291-A294 PolarHBondContact O-N 3.45Å
292P68.4Low71.8Confident113 Ų11394.2 Ų94.273%0.73452%0.522SS*.THydrogen-bonded Turntrans-64.4-12.8-176.125.3-34.4000113.3K295P292-K295 WeakPolarHBondContact O-CE 3.27Å
293S74.7Confident73.5Confident114 Ų11492.1 Ų92.180%0.79751%0.505SS*.THydrogen-bonded Turntrans-82.8-28176-167.10000113D291 K295D291-S293 PolarHBondContact O-N 3.25Å; S293-K295 PolarHBondContact O-N 3.34Å; S293-K295 VanDerWaalsContact O-N 3.11Å
294A75.2Confident75Confident24 Ų2487.1 Ų87.120%0.19849%0.485CS..  trans-87.184.2-173.300000111.2P262 I263 D291P262-A294 WeakPolarHBondContact CA-O 3.36Å; I263-A294 HydrophobicContact CB-CB 4.37Å; I263-A294 PolarHBondContact N-O 3.37Å; D291-A294 HydrophobicContact CB-CB 4.25Å; D291-A294 PolarHBondContact O-N 3.45Å
295K80.7Confident76.5Confident139 Ų13982.8 Ų82.860%0.60448%0.477SS*.EExtended strand (participates in β ladder)trans-112.5136178.7-61.2177.2-176.3172.10111.1V261 P292 S293V261-K295 CarbonylContact O-C 3.36Å; V261-K295 WeakPolarHBondContact O-CA 3.46Å; P292-K295 WeakPolarHBondContact O-CE 3.27Å; S293-K295 PolarHBondContact O-N 3.34Å; S293-K295 VanDerWaalsContact O-N 3.11Å
296C85.7Confident77.9Confident52 Ų5284.5 Ų84.535%0.35148%0.475SS..EExtended strand (participates in β ladder)trans-111.7158165.165.50000111T260 V261 I263T260-C296 WeakPolarHBondContact CA-O 3.26Å; V261-C296 PolarHBondContact N-O 2.87Å; V261-C296 PolarHBondContact O-N 3.06Å; V261-C296 VanDerWaalsContact O-O 3.08Å; I263-C296 HydrophobicContact CD1-CB 4.27Å; I263-C296 HydrophobicContact CG1-CB 3.59Å
297S87.7Confident79.2Confident88 Ų8888.7 Ų88.762%0.61550%0.498SS*.EExtended strand (participates in β ladder)trans-86.4134.8168.863.30000109.3F259F259-S297 WeakPolarHBondContact O-CA 3.31Å
298R88.6Confident80.5Confident152 Ų15286 Ų8657%0.57448%0.481SS*.EExtended strand (participates in β ladder)trans-117.9134.4170.7-175171.9179.9114.2-0.2108.7F259 V261F259-R298 HydrophobicContact CE1-CB 4.32Å; F259-R298 HydrophobicContact CE1-CG 4.31Å; F259-R298 HydrophobicContact CE2-CB 4.07Å; F259-R298 HydrophobicContact CE2-CG 4.41Å; F259-R298 HydrophobicContact CZ-CB 3.94Å; F259-R298 HydrophobicContact CZ-CG 3.87Å; F259-R298 PolarHBondContact N-O 3.36Å; F259-R298 PolarHBondContact O-N 2.9Å; V261-R298 HydrophobicContact CG2-CB 3.31Å; V261-R298 HydrophobicContact CG2-CG 4.34Å
299N91.3Very high81.8Confident71 Ų7184 Ų8438%0.3847%0.469SS..EExtended strand (participates in β ladder)trans-113.1129.8-176.6-57.2-42.7000109Y256 H257 S258Y256-N299 HydrophobicContact CE1-CB 4.43Å; Y256-N299 HydrophobicContact CE2-CB 3.91Å; Y256-N299 VanDerWaalsContact CZ-CG 3.47Å; Y256-N299 PolarHBondContact OH-ND2 3.45Å; Y256-N299 PolarHBondContact OH-OD1 2.94Å; H257-N299 CarbonylContact O-C 3.52Å; H257-N299 WeakPolarHBondContact O-CA 3.32Å; S258-N299 WeakPolarHBondContact CB-OD1 3.35Å
300L92.7Very high82.9Confident86 Ų8682.2 Ų82.245%0.4546%0.455SS..EExtended strand (participates in β ladder)trans-110.7130.4169.5-68164.7000107.6H257 F259H257-L300 HydrophobicContact CB-CB 4.19Å; H257-L300 PolarHBondContact N-O 2.84Å; H257-L300 PolarHBondContact O-N 3.28Å; F259-L300 HydrophobicContact CD1-CD1 4.35Å; F259-L300 HydrophobicContact CE1-CD1 3.4Å; F259-L300 VanDerWaalsContact CE1-CD1 3.4Å; F259-L300 HydrophobicContact CE1-CG 3.74Å; F259-L300 HydrophobicContact CZ-CD1 4.03Å; F259-L300 HydrophobicContact CZ-CG 4.39Å
301I91.2Very high84Confident92 Ų9286.9 Ų86.947%0.47248%0.479SS..EExtended strand (participates in β ladder)trans-110.3118.5174.5-53.2179.6000106.5I254 Y256 F303I254-I301 HydrophobicContact CG2-CG2 3.56Å; Y256-I301 HydrophobicContact CD2-CD1 4.42Å; Y256-I301 HydrophobicContact CD2-CG1 3.96Å; Y256-I301 HydrophobicContact CE2-CG1 4.29Å; I301-F303 HydrophobicContact CB-CE2 3.99Å; I301-F303 HydrophobicContact CG2-CD2 4.12Å; I301-F303 HydrophobicContact CG2-CE1 4.4Å; I301-F303 HydrophobicContact CG2-CE2 3.42Å; I301-F303 VanDerWaalsContact CG2-CE2 3.42Å; I301-F303 HydrophobicContact CG2-CZ 3.61Å
302T90.9Very high84.9Confident73 Ų7384.7 Ų84.745%0.44847%0.471SS..EExtended strand (participates in β ladder)trans-100.9124.8175.4-52.70000108.5I254 R255I254-T302 CarbonylContact C-O 3.57Å; I254-T302 WeakPolarHBondContact CA-O 3.4Å; R255-T302 PolarHBondContact N-O 3.44Å; R255-T302 PolarHBondContact O-N 2.97Å
303F90.2Very high85.5Confident46 Ų4683.5 Ų83.520%0.20246%0.457CS..  trans-97150.4175.2-67.4-94000109.5I254 I301 F309 S312I254-F303 HydrophobicContact CD1-CD1 3.85Å; I254-F303 HydrophobicContact CD1-CE1 3.72Å; I254-F303 HydrophobicContact CG1-CD1 3.75Å; I254-F303 HydrophobicContact CG1-CE1 4.06Å; I254-F303 HydrophobicContact CG2-CD1 4.19Å; I254-F303 HydrophobicContact CG2-CE1 4.06Å; I254-F303 HydrophobicContact CG2-CZ 4.46Å; I301-F303 HydrophobicContact CB-CE2 3.99Å; I301-F303 HydrophobicContact CG2-CD2 4.12Å; I301-F303 HydrophobicContact CG2-CE1 4.4Å; I301-F303 HydrophobicContact CG2-CE2 3.42Å; I301-F303 VanDerWaalsContact CG2-CE2 3.42Å; I301-F303 HydrophobicContact CG2-CZ 3.61Å; F303-F309 HydrophobicContact CB-CB 3.94Å; F303-F309 HydrophobicContact CD1-CB 4.07Å; F303-F309 HydrophobicContact CD2-CB 3.97Å; F303-F309 AromaticContact CD2-CD2 3.58Å; F303-F309 HydrophobicContact CD2-CD2 3.58Å; F303-F309 HydrophobicContact CD2-CG 4.2Å; F303-F309 AromaticContact CE2-CD2 3.5Å; F303-F309 HydrophobicContact CE2-CD2 3.5Å; F303-F309 VanDerWaalsContact CE2-CD2 3.5Å; F303-F309 HydrophobicContact CE2-CE2 4.2Å; F303-F309 HydrophobicContact CE2-CG 4.48Å; F303-F309 HydrophobicContact CG-CB 3.7Å; F303-F309 HydrophobicContact CG-CD2 4.17Å; F303-F309 HydrophobicContact CG-CG 4.43Å; F303-F309 HydrophobicContact CZ-CD2 4.02Å; F303-S312 WeakPolarHBondContact CE1-OG 3.33Å; F303-S312 VanDerWaalsContact CZ-OG 3.32Å; F303-S312 WeakPolarHBondContact CZ-OG 3.38Å
304A88.4Confident85.7Confident40 Ų4082.8 Ų82.833%0.33145%0.45SS..SBendtrans-67.3-44.1178.400000111.9P252P252-A304 VanDerWaalsContact CA-CB 3.5Å; P252-A304 HydrophobicContact CB-CB 3.3Å
305N87.5Confident85.5Confident104 Ų10491.4 Ų91.456%0.55649%0.486SS*.SBendtrans-140156.3-178-61.8-24.2000109.9V307 C308 F309N305-V307 PolarHBondContact O-N 2.99Å; N305-C308 WeakPolarHBondContact O-CB 3.3Å; N305-C308 PolarHBondContact O-N 2.96Å; N305-C308 VanDerWaalsContact O-N 3.13Å; N305-F309 PolarHBondContact O-N 2.99Å
306D83.7Confident84.9Confident116 Ų11688.3 Ų88.362%0.6248%0.479SS*.Hα-helixtrans-59.5-32177.6-76.5-17.3000113.5F309 R310D306-F309 WeakPolarHBondContact O-CB 3.31Å; D306-F309 PolarHBondContact O-N 3.31Å; D306-R310 WeakPolarHBondContact O-CG 3.49Å; D306-R310 PolarHBondContact O-N 3.49Å
307V84.8Confident83.8Confident100 Ų10093 Ų9361%0.60650%0.499SS*.Hα-helixtrans-62.5-46.8176.3-176.80000110.7N305 F309 R310 D311N305-V307 PolarHBondContact O-N 2.99Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 PolarHBondContact O-N 2.9Å; V307-R310 WeakPolarHBondContact O-CB 3.26Å; V307-R310 PolarHBondContact O-N 3.48Å; V307-R310 VanDerWaalsContact O-N 3.13Å; V307-D311 VanDerWaalsContact O-CG 3.25Å; V307-D311 PolarHBondContact O-N 3.19Å
308C85.8Confident82.6Confident48 Ų4892.1 Ų92.132%0.32449%0.49SS..Hα-helixtrans-64.6-34.4179-170.50000111.8N305 S312N305-C308 WeakPolarHBondContact O-CB 3.3Å; N305-C308 PolarHBondContact O-N 2.96Å; N305-C308 VanDerWaalsContact O-N 3.13Å; C308-S312 WeakPolarHBondContact O-CB 3.5Å; C308-S312 PolarHBondContact O-N 2.87Å; C308-S312 PolarHBondContact O-OG 3.36Å
309F85.7Confident81.6Confident55 Ų5588.8 Ų88.824%0.24149%0.488CS..Hα-helixtrans-63-48171.9169.1-112.6000111.9F303 N305 D306 V307 S312 M313 L320F303-F309 HydrophobicContact CB-CB 3.94Å; F303-F309 HydrophobicContact CD1-CB 4.07Å; F303-F309 HydrophobicContact CD2-CB 3.97Å; F303-F309 AromaticContact CD2-CD2 3.58Å; F303-F309 HydrophobicContact CD2-CD2 3.58Å; F303-F309 HydrophobicContact CD2-CG 4.2Å; F303-F309 AromaticContact CE2-CD2 3.5Å; F303-F309 HydrophobicContact CE2-CD2 3.5Å; F303-F309 VanDerWaalsContact CE2-CD2 3.5Å; F303-F309 HydrophobicContact CE2-CE2 4.2Å; F303-F309 HydrophobicContact CE2-CG 4.48Å; F303-F309 HydrophobicContact CG-CB 3.7Å; F303-F309 HydrophobicContact CG-CD2 4.17Å; F303-F309 HydrophobicContact CG-CG 4.43Å; F303-F309 HydrophobicContact CZ-CD2 4.02Å; N305-F309 PolarHBondContact O-N 2.99Å; D306-F309 WeakPolarHBondContact O-CB 3.31Å; D306-F309 PolarHBondContact O-N 3.31Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 PolarHBondContact O-N 2.9Å; F309-S312 PolarHBondContact O-N 3.22Å; F309-S312 PolarHBondContact O-OG 3.46Å; F309-M313 HydrophobicContact CE2-CE 3.62Å; F309-M313 HydrophobicContact CE2-CG 4.16Å; F309-M313 HydrophobicContact CZ-CE 4.07Å; F309-M313 HydrophobicContact CZ-CG 4.43Å; F309-M313 PolarHBondContact O-N 3.29Å; F309-L320 HydrophobicContact CE1-CD1 3.74Å; F309-L320 HydrophobicContact CE1-CD2 3.77Å; F309-L320 HydrophobicContact CE1-CG 4.36Å; F309-L320 HydrophobicContact CZ-CD1 4.04Å; F309-L320 HydrophobicContact CZ-CD2 3.97Å
310R82.2Confident80.5Confident76 Ų7688.1 Ų88.129%0.28748%0.484SS..Hα-helixtrans-59.3-48.7178.8-68.4-93.5175.8163.7-6.6112D306 V307 S312 M313 L320 P321D306-R310 WeakPolarHBondContact O-CG 3.49Å; D306-R310 PolarHBondContact O-N 3.49Å; V307-R310 WeakPolarHBondContact O-CB 3.26Å; V307-R310 PolarHBondContact O-N 3.48Å; V307-R310 VanDerWaalsContact O-N 3.13Å; R310-S312 PolarHBondContact O-N 3.48Å; R310-M313 PolarHBondContact O-N 3.3Å; R310-L320 VanDerWaalsContact CZ-CB 3.49Å; R310-L320 PolarHBondContact NH1-O 2.99Å; R310-L320 PolarHBondContact NH2-O 2.99Å; R310-L320 VanDerWaalsContact NH2-O 3.16Å; R310-P321 PolarHBondContact NH2-O 2.84Å
311D83.8Confident79.4Confident129 Ų12987 Ų8769%0.6948%0.482SS*.Hα-helixtrans-66.7-26.5-177.2-63.3-17.5000112.7V307V307-D311 VanDerWaalsContact O-CG 3.25Å; V307-D311 PolarHBondContact O-N 3.19Å
312S84.1Confident78.6Confident60 Ų6088.3 Ų88.342%0.4249%0.486SS..Hα-helixtrans-81.5-18.7179.972.40000114.3F303 C308 F309 R310F303-S312 WeakPolarHBondContact CE1-OG 3.33Å; F303-S312 VanDerWaalsContact CZ-OG 3.32Å; F303-S312 WeakPolarHBondContact CZ-OG 3.38Å; C308-S312 WeakPolarHBondContact O-CB 3.5Å; C308-S312 PolarHBondContact O-N 2.87Å; C308-S312 PolarHBondContact O-OG 3.36Å; F309-S312 PolarHBondContact O-N 3.22Å; F309-S312 PolarHBondContact O-OG 3.46Å; R310-S312 PolarHBondContact O-N 3.48Å
313M81.2Confident77.7Confident89 Ų8989.8 Ų89.844%0.43850%0.497SS..SBendtrans-89.9134.8179-78.7-86.6-176.100109.3F309 R310 L320F309-M313 HydrophobicContact CE2-CE 3.62Å; F309-M313 HydrophobicContact CE2-CG 4.16Å; F309-M313 HydrophobicContact CZ-CE 4.07Å; F309-M313 HydrophobicContact CZ-CG 4.43Å; F309-M313 PolarHBondContact O-N 3.29Å; R310-M313 PolarHBondContact O-N 3.3Å; M313-L320 HydrophobicContact CB-CD1 4.31Å; M313-L320 HydrophobicContact CG-CD1 4.26Å
314P78.2Confident77Confident98 Ų9891.6 Ų91.664%0.63653%0.529SS*.  trans-60.6148.3171.526.5-32.6000109.9T316P314-T316 PolarHBondContact O-N 3.11Å
315E71.4Confident76.2Confident206 Ų20697.8 Ų97.896%0.96355%0.545SS*.  trans-59.298.8174.4-68.7-175.6174.200109.7
316T66.6Low75.5Confident73 Ų7398.2 Ų98.245%0.44855%0.553SS.*  trans-84.714717848.30000110.8P314 T318P314-T316 PolarHBondContact O-N 3.11Å; T316-T318 CarbonylContact O-C 3.56Å; T316-T318 PolarHBondContact O-N 3.02Å; T316-T318 PolarHBondContact OG1-O 3.29Å
317I63.5Low74.9Confident152 Ų15296 Ų9678%0.77955%0.551SS**SBendtrans-51.2-31.5176.5-66.9165.4000112.2I331I317-I331 HydrophobicContact CG2-CD1 4.04Å
318T63.6Low74.1Confident68 Ų6893.7 Ų93.742%0.41754%0.538SS..SBendtrans-98.3110.3167.245.30000109.4T316T316-T318 CarbonylContact O-C 3.56Å; T316-T318 PolarHBondContact O-N 3.02Å; T316-T318 PolarHBondContact OG1-O 3.29Å
319P65.9Low73.3Confident83 Ų8397.4 Ų97.454%0.53956%0.559SS.*  trans-65.1147.317724.1-30.6000110.8P328P319-P328 HydrophobicContact CG-CB 4.46Å; P319-P328 HydrophobicContact CG-CG 4.22Å; P319-P328 WeakPolarHBondContact O-CG 3.45Å
320L68.7Low72.2Confident57 Ų5799.3 Ų99.330%0.29858%0.577SS.*  trans-64.4139.6175-87.1150.8000110.5F309 R310 M313 E322F309-L320 HydrophobicContact CE1-CD1 3.74Å; F309-L320 HydrophobicContact CE1-CD2 3.77Å; F309-L320 HydrophobicContact CE1-CG 4.36Å; F309-L320 HydrophobicContact CZ-CD1 4.04Å; F309-L320 HydrophobicContact CZ-CD2 3.97Å; R310-L320 VanDerWaalsContact CZ-CB 3.49Å; R310-L320 PolarHBondContact NH1-O 2.99Å; R310-L320 PolarHBondContact NH2-O 2.99Å; R310-L320 VanDerWaalsContact NH2-O 3.16Å; M313-L320 HydrophobicContact CB-CD1 4.31Å; M313-L320 HydrophobicContact CG-CD1 4.26Å; L320-E322 PolarHBondContact O-N 3.13Å; L320-E322 VanDerWaalsContact O-N 3.14Å
321P70.3Confident71.3Confident62 Ų62101 Ų10140%0.40359%0.591SS.*  trans-59115-178.9-18.728000111.7R310 A327R310-P321 PolarHBondContact NH2-O 2.84Å; P321-A327 HydrophobicContact CB-CB 4.2Å; P321-A327 HydrophobicContact CG-CB 3.93Å
322E73.7Confident70.2Confident119 Ų119105.1 Ų105.156%0.55660%0.597SS**  trans-63.3143.6174.8-71.2-155.7167.800111.6L320 G324 Y325L320-E322 PolarHBondContact O-N 3.13Å; L320-E322 VanDerWaalsContact O-N 3.14Å; E322-G324 PolarHBondContact O-N 2.86Å; E322-G324 VanDerWaalsContact O-N 3.12Å; E322-Y325 HydrophobicContact CB-CD2 4.03Å; E322-Y325 PolarHBondContact O-N 3.22Å
323P72.2Confident69.1Low104 Ų104107.6 Ų107.668%0.67561%0.612SS**THydrogen-bonded Turntrans-55.1120.4177.5-21.231.4000110.7
324G76.3Confident68.1Low85 Ų85112 Ų11288%0.87663%0.631SS**THydrogen-bonded Turntrans93-6179.500000115.8E322E322-G324 PolarHBondContact O-N 2.86Å; E322-G324 VanDerWaalsContact O-N 3.12Å
325Y71.4Confident67.5Low169 Ų169117.9 Ų117.966%0.66364%0.641SS**SBendtrans-103.4145.1172.6-73.3-87.2000111.3E322 A327E322-Y325 HydrophobicContact CB-CD2 4.03Å; E322-Y325 PolarHBondContact O-N 3.22Å; Y325-A327 PolarHBondContact O-N 2.91Å
326P73.4Confident67.3Low114 Ų114119.4 Ų119.474%0.7464%0.638SS**PPolyproline II helixtrans-58.5139.6172.924.6-32000109.6
327A69.9Low67.4Low68 Ų68122 Ų12256%0.56265%0.648SS**PPolyproline II helixtrans-51.7128.8179.200000109.9P321 Y325 T329P321-A327 HydrophobicContact CB-CB 4.2Å; P321-A327 HydrophobicContact CG-CB 3.93Å; Y325-A327 PolarHBondContact O-N 2.91Å; A327-T329 PolarHBondContact O-N 3.23Å; A327-T329 VanDerWaalsContact O-N 3.12Å
328P68.6Low68.4Low53 Ų53122.9 Ų122.934%0.34464%0.641SS.*PPolyproline II helixtrans-56.3126.2-179.418-27.2000108.1P319 P330P319-P328 HydrophobicContact CG-CB 4.46Å; P319-P328 HydrophobicContact CG-CG 4.22Å; P319-P328 WeakPolarHBondContact O-CG 3.45Å; P328-P330 WeakPolarHBondContact O-CD 3.46Å
329T68Low69.7Low126 Ų126124.8 Ų124.877%0.77365%0.648SS**PPolyproline II helixtrans-55.9120.3177.244.30000107A327 I331A327-T329 PolarHBondContact O-N 3.23Å; A327-T329 VanDerWaalsContact O-N 3.12Å; T329-I331 PolarHBondContact O-N 3.16Å
330P63.8Low71Confident94 Ų94120.8 Ų120.861%0.6162%0.622SS**PPolyproline II helixtrans-54.6125.8-178.321.2-31.5000107P328 R332P328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-R332 VanDerWaalsContact C-N 3.33Å; P330-R332 PolarHBondContact O-N 3.39Å
331I63.6Low72.1Confident113 Ų113119.6 Ų119.658%0.57962%0.618SS**  trans-53.2108.8170.4-62.9167.7000103.8I317 T329 P333I317-I331 HydrophobicContact CG2-CD1 4.04Å; T329-I331 PolarHBondContact O-N 3.16Å; I331-P333 WeakPolarHBondContact O-CD 3.31Å
332R60.6Low73.1Confident214 Ų214117.6 Ų117.681%0.80860%0.603SS**PPolyproline II helixtrans-53.4120.3-179.6-83-176.5-178.7-1750.9104.5P330 E334P330-R332 VanDerWaalsContact C-N 3.33Å; P330-R332 PolarHBondContact O-N 3.39Å; R332-E334 PolarHBondContact O-N 3.27Å
333P59.3Low74Confident113 Ų113114.4 Ų114.473%0.73459%0.592SS**PPolyproline II helixtrans-52.1123-179.820.6-31.3000105.7I331 R335I331-P333 WeakPolarHBondContact O-CD 3.31Å; P333-R335 PolarHBondContact O-N 3.11Å
334E62.2Low74.9Confident182 Ų182111.5 Ų111.585%0.8558%0.581SS**PPolyproline II helixtrans-47.3120.7177.7-79.6-156.5155.400106.1R332 R336R332-E334 PolarHBondContact O-N 3.27Å; E334-R336 VanDerWaalsContact C-N 3.32Å; E334-R336 PolarHBondContact O-N 3.2Å
335R65Low75.7Confident221 Ų221111.3 Ų111.383%0.83456%0.56SS**  trans-55.1103.9-174.6-77.4179.7168159.9-4.3105.9P333 L337P333-R335 PolarHBondContact O-N 3.11Å; R335-L337 VanDerWaalsContact C-N 3.33Å; R335-L337 PolarHBondContact O-N 2.93Å
336R67.8Low76.7Confident238 Ų238106.9 Ų106.990%0.89855%0.551SS**  trans-55.6105.2176.6-72.8-168.4-179.1-147.22.2105.8E334 R338E334-R336 VanDerWaalsContact C-N 3.32Å; E334-R336 PolarHBondContact O-N 3.2Å; R336-R338 PolarHBondContact O-N 3.19Å
337L68.4Low77.7Confident126 Ų126102.2 Ų102.266%0.6652%0.523SS*.  trans-59.8111.6-175.9-67.1173.5000106.2R335 I339 P346R335-L337 VanDerWaalsContact C-N 3.33Å; R335-L337 PolarHBondContact O-N 2.93Å; L337-I339 PolarHBondContact O-N 3.33Å; L337-P346 HydrophobicContact CB-CB 4.28Å; L337-P346 HydrophobicContact CD1-CB 4.34Å
338R83.7Confident78.7Confident172 Ų172109.1 Ų109.165%0.64953%0.534SS*.PPolyproline II helixtrans-62.8130.7-179.9-62.7-161.5-166.5-91.65.2107.2R336 A347 P357R336-R338 PolarHBondContact O-N 3.19Å; R338-A347 WeakPolarHBondContact O-CA 3.4Å; R338-A347 WeakPolarHBondContact O-CB 3.24Å; R338-A347 PolarHBondContact O-N 2.83Å; R338-P357 HydrophobicContact CB-CB 3.72Å; R338-P357 HydrophobicContact CB-CG 3.98Å
339I91.8Very high79.8Confident107 Ų107113 Ų11355%0.54954%0.543SS..BIsolated β-bridgetrans-86.5136.7-178.6-61.3171.1000108.4L337 G344L337-I339 PolarHBondContact O-N 3.33Å; I339-G344 WeakPolarHBondContact CG2-O 3.11Å
340C92.5Very high81.1Confident0 Ų0110.8 Ų110.80%053%0.526CS..PPolyproline II helixtrans-67.8123.4173.3175.90000109.8I342 T343 G344 L345 A347 P357 A359C340-I342 VanDerWaalsContact C-N 3.25Å; C340-I342 PolarHBondContact O-N 2.93Å; C340-T343 VanDerWaalsContact CB-OG1 3.28Å; C340-T343 WeakPolarHBondContact CB-OG1 3.04Å; C340-T343 PolarHBondContact SG-OG1 2.92Å; C340-G344 WeakPolarHBondContact O-CA 3.44Å; C340-G344 PolarHBondContact O-N 2.9Å; C340-L345 WeakPolarHBondContact CB-O 3.37Å; C340-L345 PolarHBondContact N-O 3.13Å; C340-A347 HydrophobicContact CB-CB 4.35Å; C340-P357 WeakPolarHBondContact CA-O 3.29Å; C340-A359 HydrophobicContact CB-CB 3.93Å
341P91Very high82.4Confident32 Ų32106.3 Ų106.321%0.20850%0.497CS..THydrogen-bonded Turntrans-66.3-28.7-177.823.8-28.1000112.4T356 P357 L385 R389P341-T356 HydrophobicContact CG-CG2 3.56Å; P341-P357 WeakPolarHBondContact CD-O 3.42Å; P341-L385 HydrophobicContact CG-CD2 4.2Å; P341-R389 PolarHBondContact O-NE 3.41Å; P341-R389 PolarHBondContact O-NH2 3.29Å
342I91.4Very high83.7Confident19 Ų19105.7 Ų105.710%0.09750%0.5CS..THydrogen-bonded Turntrans-82.1-38.8-176.7-63.6157.5000112.3C340 A363 V366 L367 L385 Y388C340-I342 VanDerWaalsContact C-N 3.25Å; C340-I342 PolarHBondContact O-N 2.93Å; I342-A363 HydrophobicContact CB-CB 4.27Å; I342-A363 HydrophobicContact CD1-CB 4.37Å; I342-A363 WeakPolarHBondContact CD1-O 3.43Å; I342-A363 HydrophobicContact CG2-CB 4.38Å; I342-V366 HydrophobicContact CD1-CB 3.93Å; I342-V366 HydrophobicContact CD1-CG1 3.71Å; I342-V366 HydrophobicContact CG1-CG1 4.14Å; I342-V366 HydrophobicContact CG2-CB 4.34Å; I342-V366 HydrophobicContact CG2-CG1 4.2Å; I342-V366 HydrophobicContact CG2-CG2 4.46Å; I342-L367 HydrophobicContact CD1-CD1 4.49Å; I342-L367 HydrophobicContact CD1-CD2 3.77Å; I342-L367 HydrophobicContact CD1-CG 3.6Å; I342-L385 HydrophobicContact CD1-CD2 3.93Å; I342-L385 HydrophobicContact CG1-CD2 3.74Å; I342-Y388 HydrophobicContact CG2-CD1 4.45Å; I342-Y388 HydrophobicContact CG2-CE1 3.96Å
343T92.5Very high85Confident52 Ų5299.6 Ų99.632%0.31948%0.483SS..THydrogen-bonded Turntrans-107.2-16.6-173.6560000114.1C340 L345 A363C340-T343 VanDerWaalsContact CB-OG1 3.28Å; C340-T343 WeakPolarHBondContact CB-OG1 3.04Å; C340-T343 PolarHBondContact SG-OG1 2.92Å; T343-L345 PolarHBondContact O-N 3.01Å; T343-L345 VanDerWaalsContact O-N 3.17Å; T343-A363 HydrophobicContact CG2-CB 3.93Å
344G91.4Very high86.4Confident43 Ų4395.6 Ų95.644%0.44346%0.456SS..  trans71.5-2.6-17300000114.5I339 C340I339-G344 WeakPolarHBondContact CG2-O 3.11Å; C340-G344 WeakPolarHBondContact O-CA 3.44Å; C340-G344 PolarHBondContact O-N 2.9Å
345L92.8Very high87.7Confident82 Ų8292.7 Ų92.743%0.42945%0.446SS..SBendtrans-81155.3177.7-63.2176.7000111.3C340 T343 A347 A359C340-L345 WeakPolarHBondContact CB-O 3.37Å; C340-L345 PolarHBondContact N-O 3.13Å; T343-L345 PolarHBondContact O-N 3.01Å; T343-L345 VanDerWaalsContact O-N 3.17Å; L345-A347 PolarHBondContact O-N 3.16Å; L345-A359 HydrophobicContact CB-CB 3.71Å; L345-A359 HydrophobicContact CD1-CB 4.48Å
346P93.9Very high88.9Confident75 Ų7582.9 Ų82.949%0.48741%0.411SS..BIsolated β-bridgetrans-58.3123.717224.2-33.1000110.1L337L337-P346 HydrophobicContact CB-CB 4.28Å; L337-P346 HydrophobicContact CD1-CB 4.34Å
347A92.8Very high90.2Very high17 Ų1772.6 Ų72.614%0.1438%0.375CS..PPolyproline II helixtrans-76130.4-178.500000110.9R338 C340 L345 P357 Y358R338-A347 WeakPolarHBondContact O-CA 3.4Å; R338-A347 WeakPolarHBondContact O-CB 3.24Å; R338-A347 PolarHBondContact O-N 2.83Å; C340-A347 HydrophobicContact CB-CB 4.35Å; L345-A347 PolarHBondContact O-N 3.16Å; A347-P357 HydrophobicContact CB-CB 3.52Å; A347-Y358 WeakPolarHBondContact CA-O 3.34Å; A347-Y358 WeakPolarHBondContact CB-O 3.46Å
348R90.8Very high91.4Very high212 Ų21268.3 Ų68.380%0.835%0.35SS*.  trans-93.4-21.8173.2-77.4-177.7161.9178.8-4.6112.7Y358R348-Y358 PolarHBondContact N-O 3.4Å
349Y93.5Very high92Very high134 Ų13460.4 Ų60.453%0.52532%0.322SS..EExtended strand (participates in β ladder)trans-132.1158.3-171-53.4-74.8000111.2P357 Y358Y349-P357 CarbonylContact O-C 3.56Å; Y349-P357 WeakPolarHBondContact O-CA 3.28Å; Y349-Y358 HydrophobicContact CD2-CD2 4.49Å; Y349-Y358 AromaticContact CD2-CE2 3.95Å; Y349-Y358 HydrophobicContact CD2-CE2 3.95Å; Y349-Y358 HydrophobicContact CG-CE2 4.12Å; Y349-Y358 PolarHBondContact N-O 3.46Å; Y349-Y358 VanDerWaalsContact N-O 3.14Å; Y349-Y358 PolarHBondContact O-N 3.4Å
350L93.5Very high92.1Very high81 Ų8159.2 Ų59.242%0.42432%0.317SS..EExtended strand (participates in β ladder)trans-120.1132.9173.1-152.8102.7000108.4L355 P357L350-L355 HydrophobicContact CD2-CB 4.16Å; L350-L355 HydrophobicContact CD2-CD2 3.75Å; L350-P357 HydrophobicContact CD1-CB 4.23Å
351D91.2Very high92.3Very high0 Ų064.5 Ų64.50%034%0.344CS..  trans-76.6125.8174.6176.141.2000110.1L353 T354 L355 T356 Y358 L367 R368D351-L353 VanDerWaalsContact C-N 3.3Å; D351-L353 PolarHBondContact O-N 2.87Å; D351-T354 WeakPolarHBondContact OD2-CB 3.33Å; D351-T354 WeakPolarHBondContact OD2-CG2 3.18Å; D351-T354 PolarHBondContact OD2-N 3.36Å; D351-T354 PolarHBondContact OD2-OG1 3.46Å; D351-L355 WeakPolarHBondContact O-CA 3.34Å; D351-L355 PolarHBondContact O-N 3.07Å; D351-T356 PolarHBondContact N-O 3.05Å; D351-Y358 HydrophobicContact CB-CD1 4.21Å; D351-Y358 HydrophobicContact CB-CE1 4.11Å; D351-L367 HydrophobicContact CB-CD1 4.15Å; D351-R368 IonicContact OD1-CZ 3.64Å; D351-R368 IonicContact OD1-NE 3.68Å; D351-R368 IonicContact OD1-NH2 2.78Å; D351-R368 PolarHBondContact OD1-NH2 3.39Å
352P90.8Very high92.5Very high99 Ų9966.3 Ų66.364%0.64336%0.362SS*.THydrogen-bonded Turntrans-68.1-24.8-175.624.6-35.8000114.4
353L89Confident92.7Very high87 Ų8765.4 Ų65.446%0.45536%0.357SS..THydrogen-bonded Turntrans-83-44.9-178.6-63.8-174.5000112.1D351 Y371D351-L353 VanDerWaalsContact C-N 3.3Å; D351-L353 PolarHBondContact O-N 2.87Å; L353-Y371 HydrophobicContact CB-CE2 4.36Å; L353-Y371 HydrophobicContact CD1-CD1 4.13Å; L353-Y371 HydrophobicContact CD1-CE1 3.72Å
354T88Confident92.8Very high28 Ų2865.7 Ų65.717%0.17235%0.354CS..THydrogen-bonded Turntrans-99.3-6.6-175.2630000113.5D351 T356 Y371D351-T354 WeakPolarHBondContact OD2-CB 3.33Å; D351-T354 WeakPolarHBondContact OD2-CG2 3.18Å; D351-T354 PolarHBondContact OD2-N 3.36Å; D351-T354 PolarHBondContact OD2-OG1 3.46Å; T354-T356 VanDerWaalsContact CB-OG1 3.25Å; T354-T356 WeakPolarHBondContact CB-OG1 3.5Å; T354-T356 PolarHBondContact O-N 2.92Å; T354-T356 VanDerWaalsContact O-N 3.07Å; T354-T356 PolarHBondContact O-OG1 3.43Å; T354-T356 WeakPolarHBondContact OG1-CB 3.48Å; T354-T356 PolarHBondContact OG1-N 2.98Å; T354-T356 PolarHBondContact OG1-OG1 2.95Å; T354-Y371 HydrophobicContact CG2-CD2 3.74Å; T354-Y371 HydrophobicContact CG2-CE2 4.49Å; T354-Y371 HydrophobicContact CG2-CG 4.36Å
355L90Very high93.1Very high121 Ų12172.1 Ų72.163%0.63437%0.365SS*.  trans51.825.7-170.4-60.2176.6000113.5L350 D351L350-L355 HydrophobicContact CD2-CB 4.16Å; L350-L355 HydrophobicContact CD2-CD2 3.75Å; D351-L355 WeakPolarHBondContact O-CA 3.34Å; D351-L355 PolarHBondContact O-N 3.07Å
356T91.1Very high93.2Very high15 Ų1569.2 Ų69.29%0.09235%0.351CS..  trans-93128-174.8-44.30000110.6P341 D351 T354 L367 L385P341-T356 HydrophobicContact CG-CG2 3.56Å; D351-T356 PolarHBondContact N-O 3.05Å; T354-T356 VanDerWaalsContact CB-OG1 3.25Å; T354-T356 WeakPolarHBondContact CB-OG1 3.5Å; T354-T356 PolarHBondContact O-N 2.92Å; T354-T356 VanDerWaalsContact O-N 3.07Å; T354-T356 PolarHBondContact O-OG1 3.43Å; T354-T356 WeakPolarHBondContact OG1-CB 3.48Å; T354-T356 PolarHBondContact OG1-N 2.98Å; T354-T356 PolarHBondContact OG1-OG1 2.95Å; T356-L367 HydrophobicContact CG2-CD2 3.88Å; T356-L385 HydrophobicContact CG2-CD1 3.72Å
357P94Very high93.2Very high23 Ų2365.8 Ų65.815%0.14933%0.328CS..EExtended strand (participates in β ladder)trans-70.2135176.926.5-32.5000111.4R338 C340 P341 A347 Y349 L350R338-P357 HydrophobicContact CB-CB 3.72Å; R338-P357 HydrophobicContact CB-CG 3.98Å; C340-P357 WeakPolarHBondContact CA-O 3.29Å; P341-P357 WeakPolarHBondContact CD-O 3.42Å; A347-P357 HydrophobicContact CB-CB 3.52Å; Y349-P357 CarbonylContact O-C 3.56Å; Y349-P357 WeakPolarHBondContact O-CA 3.28Å; L350-P357 HydrophobicContact CD1-CB 4.23Å
358Y94.5Very high93.3Very high36 Ų3669 Ų6914%0.14134%0.337CS..EExtended strand (participates in β ladder)trans-136.8152.4175.970-86.7000113.9A347 R348 Y349 D351 F364 L367A347-Y358 WeakPolarHBondContact CA-O 3.34Å; A347-Y358 WeakPolarHBondContact CB-O 3.46Å; R348-Y358 PolarHBondContact N-O 3.4Å; Y349-Y358 HydrophobicContact CD2-CD2 4.49Å; Y349-Y358 AromaticContact CD2-CE2 3.95Å; Y349-Y358 HydrophobicContact CD2-CE2 3.95Å; Y349-Y358 HydrophobicContact CG-CE2 4.12Å; Y349-Y358 PolarHBondContact N-O 3.46Å; Y349-Y358 VanDerWaalsContact N-O 3.14Å; Y349-Y358 PolarHBondContact O-N 3.4Å; D351-Y358 HydrophobicContact CB-CD1 4.21Å; D351-Y358 HydrophobicContact CB-CE1 4.11Å; Y358-F364 HydrophobicContact CD1-CD2 4.3Å; Y358-F364 HydrophobicContact CD2-CB 3.88Å; Y358-F364 AromaticContact CE1-CD2 3.75Å; Y358-F364 HydrophobicContact CE1-CD2 3.75Å; Y358-F364 HydrophobicContact CE1-CE2 4.4Å; Y358-F364 HydrophobicContact CE2-CB 3.74Å; Y358-F364 HydrophobicContact CE2-CD2 4.09Å; Y358-F364 HydrophobicContact CE2-CG 4.21Å; Y358-F364 HydrophobicContact CG-CB 4.44Å; Y358-F364 AromaticContact CZ-CD2 3.63Å; Y358-L367 HydrophobicContact CD1-CD1 3.93Å; Y358-L367 HydrophobicContact CG-CD1 4.14Å
359A95.4Very high93.4Very high6 Ų667.9 Ų67.95%0.0533%0.332CS..SBendtrans-92.7-52.3-175.700000112.7C340 L345C340-A359 HydrophobicContact CB-CB 3.93Å; L345-A359 HydrophobicContact CB-CB 3.71Å; L345-A359 HydrophobicContact CD1-CB 4.48Å
360N95.1Very high93.4Very high82 Ų8262.3 Ų62.344%0.43931%0.312SS..SBendtrans-127.5164.4-168-52.3-10.3000111.2A362 A363 F364N360-A362 VanDerWaalsContact C-N 3.25Å; N360-A362 PolarHBondContact O-N 2.87Å; N360-A363 WeakPolarHBondContact O-CB 3.37Å; N360-A363 PolarHBondContact O-N 3.19Å; N360-F364 PolarHBondContact O-N 3.47Å
361L95.9Very high93.4Very high111 Ų11161.4 Ų61.458%0.58130%0.303SS*.Hα-helixtrans-56.1-38177.1-158.1171.8000112.4A363 F364 R365L361-A363 VanDerWaalsContact C-N 3.3Å; L361-A363 PolarHBondContact O-N 3.46Å; L361-F364 WeakPolarHBondContact O-CB 3.31Å; L361-F364 PolarHBondContact O-N 2.89Å; L361-F364 VanDerWaalsContact O-N 3.12Å; L361-R365 HydrophobicContact CD2-CG 3.84Å; L361-R365 VanDerWaalsContact CD2-NE 3.28Å; L361-R365 PolarHBondContact O-N 2.88Å
362A95.1Very high93.6Very high69 Ų6964.2 Ų64.257%0.5732%0.323SS*.Hα-helixtrans-58.7-40.117600000112.7N360 R365 V366N360-A362 VanDerWaalsContact C-N 3.25Å; N360-A362 PolarHBondContact O-N 2.87Å; A362-R365 PolarHBondContact O-N 3.26Å; A362-V366 PolarHBondContact O-N 3.05Å
363A95.2Very high93.8Very high1 Ų162.2 Ų62.21%0.00831%0.306CS..Hα-helixtrans-67.6-38.6176.100000111.5I342 T343 N360 L361 R365 V366 L367I342-A363 HydrophobicContact CB-CB 4.27Å; I342-A363 HydrophobicContact CD1-CB 4.37Å; I342-A363 WeakPolarHBondContact CD1-O 3.43Å; I342-A363 HydrophobicContact CG2-CB 4.38Å; T343-A363 HydrophobicContact CG2-CB 3.93Å; N360-A363 WeakPolarHBondContact O-CB 3.37Å; N360-A363 PolarHBondContact O-N 3.19Å; L361-A363 VanDerWaalsContact C-N 3.3Å; L361-A363 PolarHBondContact O-N 3.46Å; A363-R365 PolarHBondContact O-N 2.98Å; A363-V366 PolarHBondContact O-N 2.92Å; A363-L367 PolarHBondContact O-N 3.17Å
364F95.7Very high93.9Very high57 Ų5760.3 Ų60.325%0.2530%0.295CS..Hα-helixtrans-62.6-40.6176.1-178.1-106.5000112.7Y358 N360 L361 V366 L367 R368Y358-F364 HydrophobicContact CD1-CD2 4.3Å; Y358-F364 HydrophobicContact CD2-CB 3.88Å; Y358-F364 AromaticContact CE1-CD2 3.75Å; Y358-F364 HydrophobicContact CE1-CD2 3.75Å; Y358-F364 HydrophobicContact CE1-CE2 4.4Å; Y358-F364 HydrophobicContact CE2-CB 3.74Å; Y358-F364 HydrophobicContact CE2-CD2 4.09Å; Y358-F364 HydrophobicContact CE2-CG 4.21Å; Y358-F364 HydrophobicContact CG-CB 4.44Å; Y358-F364 AromaticContact CZ-CD2 3.63Å; N360-F364 PolarHBondContact O-N 3.47Å; L361-F364 WeakPolarHBondContact O-CB 3.31Å; L361-F364 PolarHBondContact O-N 2.89Å; L361-F364 VanDerWaalsContact O-N 3.12Å; F364-V366 VanDerWaalsContact C-N 3.32Å; F364-V366 PolarHBondContact O-N 3.48Å; F364-L367 WeakPolarHBondContact O-CB 3.25Å; F364-L367 PolarHBondContact O-N 3.26Å; F364-R368 HydrophobicContact CD1-CG 4.36Å; F364-R368 HydrophobicContact CE1-CG 3.92Å; F364-R368 HydrophobicContact CE2-CG 4.27Å; F364-R368 HydrophobicContact CZ-CG 3.88Å; F364-R368 VanDerWaalsContact CZ-NE 3.3Å; F364-R368 WeakPolarHBondContact O-CG 3.21Å; F364-R368 PolarHBondContact O-N 3.08Å
365R96.3Very high94.2Very high178 Ų17864 Ų6467%0.67231%0.313SS*.Hα-helixtrans-61-41.4175-72.4-179.7178.5-1800.6112.1L361 A362 A363 R368 R369L361-R365 HydrophobicContact CD2-CG 3.84Å; L361-R365 VanDerWaalsContact CD2-NE 3.28Å; L361-R365 PolarHBondContact O-N 2.88Å; A362-R365 PolarHBondContact O-N 3.26Å; A363-R365 PolarHBondContact O-N 2.98Å; R365-R368 PolarHBondContact O-N 3.04Å; R365-R369 PolarHBondContact O-N 3.13Å
366V94.8Very high94.5Very high22 Ų2265.8 Ų65.813%0.13332%0.318CS..Hα-helixtrans-63.4-46.2175172.20000110.4I342 A362 A363 F364 R368 R369 L370 Y388I342-V366 HydrophobicContact CD1-CB 3.93Å; I342-V366 HydrophobicContact CD1-CG1 3.71Å; I342-V366 HydrophobicContact CG1-CG1 4.14Å; I342-V366 HydrophobicContact CG2-CB 4.34Å; I342-V366 HydrophobicContact CG2-CG1 4.2Å; I342-V366 HydrophobicContact CG2-CG2 4.46Å; A362-V366 PolarHBondContact O-N 3.05Å; A363-V366 PolarHBondContact O-N 2.92Å; F364-V366 VanDerWaalsContact C-N 3.32Å; F364-V366 PolarHBondContact O-N 3.48Å; V366-R368 VanDerWaalsContact C-N 3.32Å; V366-R368 PolarHBondContact O-N 3.37Å; V366-R369 PolarHBondContact O-N 3.17Å; V366-L370 HydrophobicContact CG1-CD1 4Å; V366-L370 HydrophobicContact CG1-CG 4.26Å; V366-L370 WeakPolarHBondContact O-CG 3.43Å; V366-L370 PolarHBondContact O-N 3.16Å; V366-Y388 HydrophobicContact CG1-CD1 3.96Å; V366-Y388 HydrophobicContact CG1-CD2 4.09Å; V366-Y388 HydrophobicContact CG1-CE1 3.68Å; V366-Y388 HydrophobicContact CG1-CE2 3.82Å; V366-Y388 HydrophobicContact CG1-CG 4.16Å; V366-Y388 HydrophobicContact CG2-CE1 4.41Å
367L94Very high94.6Very high3 Ų368.5 Ų68.52%0.01634%0.335CS..Hα-helixtrans-55.7-45.1175.8-74.7173.1000112.4I342 D351 T356 Y358 A363 F364 R369 L370 Y371 L385I342-L367 HydrophobicContact CD1-CD1 4.49Å; I342-L367 HydrophobicContact CD1-CD2 3.77Å; I342-L367 HydrophobicContact CD1-CG 3.6Å; D351-L367 HydrophobicContact CB-CD1 4.15Å; T356-L367 HydrophobicContact CG2-CD2 3.88Å; Y358-L367 HydrophobicContact CD1-CD1 3.93Å; Y358-L367 HydrophobicContact CG-CD1 4.14Å; A363-L367 PolarHBondContact O-N 3.17Å; F364-L367 WeakPolarHBondContact O-CB 3.25Å; F364-L367 PolarHBondContact O-N 3.26Å; L367-R369 PolarHBondContact O-N 3.09Å; L367-L370 PolarHBondContact O-N 3.21Å; L367-Y371 WeakPolarHBondContact O-CB 3.29Å; L367-Y371 PolarHBondContact O-N 3.32Å; L367-L385 HydrophobicContact CD2-CD1 4.08Å; L367-L385 HydrophobicContact CD2-CD2 3.83Å; L367-L385 HydrophobicContact CD2-CG 4.35Å
368R94.6Very high94.5Very high83 Ų8376.1 Ų76.131%0.31337%0.365SS..Hα-helixtrans-65.6-37.9178.9-69.9-71.7164.3157.4-6.3112.5D351 F364 R365 V366 Y371 S372D351-R368 IonicContact OD1-CZ 3.64Å; D351-R368 IonicContact OD1-NE 3.68Å; D351-R368 IonicContact OD1-NH2 2.78Å; D351-R368 PolarHBondContact OD1-NH2 3.39Å; F364-R368 HydrophobicContact CD1-CG 4.36Å; F364-R368 HydrophobicContact CE1-CG 3.92Å; F364-R368 HydrophobicContact CE2-CG 4.27Å; F364-R368 HydrophobicContact CZ-CG 3.88Å; F364-R368 VanDerWaalsContact CZ-NE 3.3Å; F364-R368 WeakPolarHBondContact O-CG 3.21Å; F364-R368 PolarHBondContact O-N 3.08Å; R365-R368 PolarHBondContact O-N 3.04Å; V366-R368 VanDerWaalsContact C-N 3.32Å; V366-R368 PolarHBondContact O-N 3.37Å; R368-Y371 PolarHBondContact O-N 3.28Å; R368-S372 PolarHBondContact O-N 3.46Å; R368-S372 PolarHBondContact O-OG 2.93Å
369R94.1Very high94.3Very high189 Ų18978.3 Ų78.371%0.71338%0.376SS*.Hα-helixtrans-65.5-44.5174.1-171.1175.3-177.5174.10.5112R365 V366 L367 Y371 S372 I373R365-R369 PolarHBondContact O-N 3.13Å; V366-R369 PolarHBondContact O-N 3.17Å; L367-R369 PolarHBondContact O-N 3.09Å; R369-Y371 VanDerWaalsContact C-N 3.26Å; R369-Y371 PolarHBondContact O-N 3.38Å; R369-S372 PolarHBondContact O-N 2.94Å; R369-I373 WeakPolarHBondContact O-CG1 3.36Å; R369-I373 PolarHBondContact O-N 2.89Å; R369-I373 VanDerWaalsContact O-N 3.11Å
370L93.7Very high94Very high18 Ų1880.8 Ų80.89%0.09439%0.391CS..Hα-helixtrans-63.4-35.8175.4-64.6176.5000111.2V366 L367 I373 H374 L384 L385 Y388V366-L370 HydrophobicContact CG1-CD1 4Å; V366-L370 HydrophobicContact CG1-CG 4.26Å; V366-L370 WeakPolarHBondContact O-CG 3.43Å; V366-L370 PolarHBondContact O-N 3.16Å; L367-L370 PolarHBondContact O-N 3.21Å; L370-I373 PolarHBondContact O-N 3.32Å; L370-H374 PolarHBondContact O-N 3.36Å; L370-L384 HydrophobicContact CB-CB 4.43Å; L370-L384 HydrophobicContact CD2-CB 4.18Å; L370-L384 WeakPolarHBondContact O-CD1 3.42Å; L370-L385 HydrophobicContact CD1-CD2 3.68Å; L370-L385 HydrophobicContact CD1-CG 3.88Å; L370-Y388 HydrophobicContact CD1-CG 4.44Å; L370-Y388 HydrophobicContact CD2-CD2 4.27Å
371Y93.8Very high93.3Very high61 Ų6178.6 Ų78.624%0.23938%0.382CS..Hα-helixtrans-66.5-38.2175-173.3-104.3000112.8L353 T354 L367 R368 R369 H374 L375L353-Y371 HydrophobicContact CB-CE2 4.36Å; L353-Y371 HydrophobicContact CD1-CD1 4.13Å; L353-Y371 HydrophobicContact CD1-CE1 3.72Å; T354-Y371 HydrophobicContact CG2-CD2 3.74Å; T354-Y371 HydrophobicContact CG2-CE2 4.49Å; T354-Y371 HydrophobicContact CG2-CG 4.36Å; L367-Y371 WeakPolarHBondContact O-CB 3.29Å; L367-Y371 PolarHBondContact O-N 3.32Å; R368-Y371 PolarHBondContact O-N 3.28Å; R369-Y371 VanDerWaalsContact C-N 3.26Å; R369-Y371 PolarHBondContact O-N 3.38Å; Y371-H374 AromaticContact CE2-CD2 3.96Å; Y371-H374 WeakPolarHBondContact O-CB 3.38Å; Y371-H374 PolarHBondContact O-N 2.92Å; Y371-L375 HydrophobicContact CD1-CD1 4.17Å; Y371-L375 HydrophobicContact CE1-CD1 3.75Å; Y371-L375 HydrophobicContact CE1-CG 4.17Å; Y371-L375 PolarHBondContact O-N 3.43Å
372S94.8Very high92.8Very high60 Ų6079 Ų7942%0.4238%0.383SS..Hα-helixtrans-60.7-45171.2-620000111.7R368 R369 H374 L375 E376R368-S372 PolarHBondContact O-N 3.46Å; R368-S372 PolarHBondContact O-OG 2.93Å; R369-S372 PolarHBondContact O-N 2.94Å; S372-H374 VanDerWaalsContact C-N 3.28Å; S372-H374 PolarHBondContact O-N 3.36Å; S372-L375 PolarHBondContact O-N 3.05Å; S372-L375 VanDerWaalsContact O-N 3.13Å; S372-E376 PolarHBondContact O-N 2.72Å; S372-E376 VanDerWaalsContact O-N 3.09Å
373I94.2Very high92.5Very high57 Ų5780.4 Ų80.429%0.29238%0.378SS..Hα-helixtrans-62.7-37.5175.8-63.9166.6000110.9R369 L370 L375 E376 T377 L384R369-I373 WeakPolarHBondContact O-CG1 3.36Å; R369-I373 PolarHBondContact O-N 2.89Å; R369-I373 VanDerWaalsContact O-N 3.11Å; L370-I373 PolarHBondContact O-N 3.32Å; I373-L375 VanDerWaalsContact C-N 3.34Å; I373-L375 PolarHBondContact O-N 3.21Å; I373-E376 PolarHBondContact O-N 3.47Å; I373-T377 HydrophobicContact CG2-CG2 4.07Å; I373-T377 WeakPolarHBondContact O-CB 3.46Å; I373-T377 PolarHBondContact O-N 2.76Å; I373-T377 PolarHBondContact O-OG1 2.84Å; I373-L384 HydrophobicContact CB-CD1 4.15Å; I373-L384 HydrophobicContact CG2-CD1 3.91Å; I373-L384 HydrophobicContact CG2-CD2 3.95Å
374H92.8Very high92.2Very high46 Ų4680.7 Ų80.721%0.21338%0.379CS..Hα-helixtrans-59.3-43.9173.7166.962.1000111.6L370 Y371 S372 E376 K378 K379 P381 L384L370-H374 PolarHBondContact O-N 3.36Å; Y371-H374 AromaticContact CE2-CD2 3.96Å; Y371-H374 WeakPolarHBondContact O-CB 3.38Å; Y371-H374 PolarHBondContact O-N 2.92Å; S372-H374 VanDerWaalsContact C-N 3.28Å; S372-H374 PolarHBondContact O-N 3.36Å; H374-E376 VanDerWaalsContact C-N 3.33Å; H374-E376 PolarHBondContact O-N 2.98Å; H374-K378 WeakPolarHBondContact O-CA 3.31Å; H374-K378 PolarHBondContact O-N 3.32Å; H374-K379 PolarHBondContact ND1-O 3.28Å; H374-P381 HydrophobicContact CB-CG 4.48Å; H374-L384 HydrophobicContact CB-CD1 3.86Å
375L94.2Very high91.9Very high106 Ų10678.9 Ų78.956%0.55537%0.372SS*.Hα-helixtrans-65.5-36.7177.8-69.1174.5000112.4Y371 S372 I373Y371-L375 HydrophobicContact CD1-CD1 4.17Å; Y371-L375 HydrophobicContact CE1-CD1 3.75Å; Y371-L375 HydrophobicContact CE1-CG 4.17Å; Y371-L375 PolarHBondContact O-N 3.43Å; S372-L375 PolarHBondContact O-N 3.05Å; S372-L375 VanDerWaalsContact O-N 3.13Å; I373-L375 VanDerWaalsContact C-N 3.34Å; I373-L375 PolarHBondContact O-N 3.21Å
376E95.4Very high91.5Very high159 Ų15978.4 Ų78.474%0.74337%0.37SS*.Hα-helixtrans-73.9-44.9179-69.6170.3-168.300112.6S372 I373 H374S372-E376 PolarHBondContact O-N 2.72Å; S372-E376 VanDerWaalsContact O-N 3.09Å; I373-E376 PolarHBondContact O-N 3.47Å; H374-E376 VanDerWaalsContact C-N 3.33Å; H374-E376 PolarHBondContact O-N 2.98Å
377T93.3Very high91.3Very high72 Ų7282 Ų8244%0.44239%0.386SS..Hα-helixtrans-99.4-11.6-170.762.90000114I373 K379I373-T377 HydrophobicContact CG2-CG2 4.07Å; I373-T377 WeakPolarHBondContact O-CB 3.46Å; I373-T377 PolarHBondContact O-N 2.76Å; I373-T377 PolarHBondContact O-OG1 2.84Å; T377-K379 PolarHBondContact O-N 3Å; T377-K379 PolarHBondContact OG1-N 3.14Å
378K91.9Very high91.1Very high182 Ų18285.4 Ų85.479%0.79140%0.399SS*.  trans55.510.8-169.8-62.4-175178.8-179.90115.3H374H374-K378 WeakPolarHBondContact O-CA 3.31Å; H374-K378 PolarHBondContact O-N 3.32Å
379K90.3Very high90.7Very high82 Ų8288.3 Ų88.336%0.35741%0.41SS..  trans-67.7135.3173.5-75.7-175.1167.5-166.60110.9H374 T377 L384 E387H374-K379 PolarHBondContact ND1-O 3.28Å; T377-K379 PolarHBondContact O-N 3Å; T377-K379 PolarHBondContact OG1-N 3.14Å; K379-L384 HydrophobicContact CB-CD1 4.43Å; K379-L384 HydrophobicContact CB-CD2 4.17Å; K379-L384 HydrophobicContact CB-CG 4.17Å; K379-L384 HydrophobicContact CD-CD2 3.91Å; K379-E387 IonicContact NZ-OE1 2.71Å; K379-E387 PolarHBondContact NZ-OE1 3.42Å; K379-E387 IonicContact NZ-OE2 2.94Å
380P88.3Confident90.2Very high58 Ų5886.8 Ų86.838%0.37741%0.411SS..  trans-59.9141.2-175.824.7-33.8000112.4I382 E383 L384P380-I382 PolarHBondContact O-N 2.96Å; P380-I382 VanDerWaalsContact O-N 3.09Å; P380-E383 WeakPolarHBondContact CD-OE2 3.49Å; P380-E383 HydrophobicContact CG-CB 4.03Å; P380-E383 VanDerWaalsContact CG-CD 3.41Å; P380-E383 HydrophobicContact CG-CG 3.73Å; P380-E383 WeakPolarHBondContact CG-OE2 3.3Å; P380-E383 PolarHBondContact O-N 3Å; P380-L384 PolarHBondContact O-N 3.3Å
381P81.5Confident89.2Confident37 Ų3789.3 Ų89.324%0.2444%0.441CS..Hα-helixtrans-57.9-30.3-175-24.132.5000114.1H374 L385H374-P381 HydrophobicContact CB-CG 4.48Å; P381-L385 WeakPolarHBondContact O-CB 3.32Å; P381-L385 WeakPolarHBondContact O-CG 3.38Å; P381-L385 PolarHBondContact O-N 3.29Å
382I85.3Confident87.4Confident119 Ų11997.1 Ų97.161%0.6147%0.47SS*.Hα-helixtrans-65.9-38.2177.1-80.5167.2000112.1P380 L385 R386P380-I382 PolarHBondContact O-N 2.96Å; P380-I382 VanDerWaalsContact O-N 3.09Å; I382-L385 PolarHBondContact O-N 3.38Å; I382-R386 PolarHBondContact O-N 3.35Å
383E88.2Confident87Confident99 Ų9999 Ų9946%0.46347%0.473SS..Hα-helixtrans-70.5-44.9178.4-76.6178.6179.400110.9P380 L385 R386 E387P380-E383 WeakPolarHBondContact CD-OE2 3.49Å; P380-E383 HydrophobicContact CG-CB 4.03Å; P380-E383 VanDerWaalsContact CG-CD 3.41Å; P380-E383 HydrophobicContact CG-CG 3.73Å; P380-E383 WeakPolarHBondContact CG-OE2 3.3Å; P380-E383 PolarHBondContact O-N 3Å; E383-L385 PolarHBondContact O-N 3.06Å; E383-R386 WeakPolarHBondContact O-CA 3.35Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.47Å; E383-E387 WeakPolarHBondContact O-CG 3.25Å; E383-E387 PolarHBondContact O-N 2.93Å
384L89.5Confident86.6Confident6 Ų6101.2 Ų101.23%0.03148%0.482CS..Hα-helixtrans-59.1-36.5175-66.2177.5000111.9L370 I373 H374 K379 P380 Y388L370-L384 HydrophobicContact CB-CB 4.43Å; L370-L384 HydrophobicContact CD2-CB 4.18Å; L370-L384 WeakPolarHBondContact O-CD1 3.42Å; I373-L384 HydrophobicContact CB-CD1 4.15Å; I373-L384 HydrophobicContact CG2-CD1 3.91Å; I373-L384 HydrophobicContact CG2-CD2 3.95Å; H374-L384 HydrophobicContact CB-CD1 3.86Å; K379-L384 HydrophobicContact CB-CD1 4.43Å; K379-L384 HydrophobicContact CB-CD2 4.17Å; K379-L384 HydrophobicContact CB-CG 4.17Å; K379-L384 HydrophobicContact CD-CD2 3.91Å; P380-L384 PolarHBondContact O-N 3.3Å; L384-Y388 WeakPolarHBondContact O-CB 3.47Å; L384-Y388 PolarHBondContact O-N 2.94Å
385L88.6Confident86.3Confident19 Ų19104.3 Ų104.310%0.09950%0.497CS..Hα-helixtrans-65.6-39.1172.3-87.3164.6000113P341 I342 T356 L367 L370 P381 I382 E383 R389P341-L385 HydrophobicContact CG-CD2 4.2Å; I342-L385 HydrophobicContact CD1-CD2 3.93Å; I342-L385 HydrophobicContact CG1-CD2 3.74Å; T356-L385 HydrophobicContact CG2-CD1 3.72Å; L367-L385 HydrophobicContact CD2-CD1 4.08Å; L367-L385 HydrophobicContact CD2-CD2 3.83Å; L367-L385 HydrophobicContact CD2-CG 4.35Å; L370-L385 HydrophobicContact CD1-CD2 3.68Å; L370-L385 HydrophobicContact CD1-CG 3.88Å; P381-L385 WeakPolarHBondContact O-CB 3.32Å; P381-L385 WeakPolarHBondContact O-CG 3.38Å; P381-L385 PolarHBondContact O-N 3.29Å; I382-L385 PolarHBondContact O-N 3.38Å; E383-L385 PolarHBondContact O-N 3.06Å; L385-R389 PolarHBondContact O-N 3.45Å; L385-R389 VanDerWaalsContact O-N 3.17Å
386R89Confident85.8Confident168 Ų168104.2 Ų104.263%0.63449%0.494SS*.Hα-helixtrans-66.6-48.2174.4-75.6-176.2-174.7-169.62.5111.1I382 E383 Y388 R389 H390I382-R386 PolarHBondContact O-N 3.35Å; E383-R386 WeakPolarHBondContact O-CA 3.35Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.47Å; R386-Y388 VanDerWaalsContact C-N 3.29Å; R386-Y388 PolarHBondContact O-N 3.12Å; R386-R389 WeakPolarHBondContact O-CB 3.4Å; R386-R389 PolarHBondContact O-N 3.06Å; R386-H390 PolarHBondContact O-CD2 3.49Å; R386-H390 PolarHBondContact O-N 3.32Å
387E90.2Very high85.2Confident97 Ų97100.8 Ų100.845%0.45348%0.478SS..Hα-helixtrans-54.7-46.5176.2-71.1179.5-178.600110.4K379 E383 R389 H390 G391K379-E387 IonicContact NZ-OE1 2.71Å; K379-E387 PolarHBondContact NZ-OE1 3.42Å; K379-E387 IonicContact NZ-OE2 2.94Å; E383-E387 WeakPolarHBondContact O-CG 3.25Å; E383-E387 PolarHBondContact O-N 2.93Å; E387-R389 VanDerWaalsContact C-N 3.27Å; E387-R389 PolarHBondContact O-N 2.78Å; E387-H390 PolarHBondContact O-N 3.42Å; E387-G391 PolarHBondContact O-N 3.39Å
388Y89.2Confident84.7Confident75 Ų75102.7 Ų102.729%0.29448%0.48SS..Hα-helixtrans-61.3-34.3177.3-169.4-91.1000113.4I342 V366 L370 L384 R386 R392I342-Y388 HydrophobicContact CG2-CD1 4.45Å; I342-Y388 HydrophobicContact CG2-CE1 3.96Å; V366-Y388 HydrophobicContact CG1-CD1 3.96Å; V366-Y388 HydrophobicContact CG1-CD2 4.09Å; V366-Y388 HydrophobicContact CG1-CE1 3.68Å; V366-Y388 HydrophobicContact CG1-CE2 3.82Å; V366-Y388 HydrophobicContact CG1-CG 4.16Å; V366-Y388 HydrophobicContact CG2-CE1 4.41Å; L370-Y388 HydrophobicContact CD1-CG 4.44Å; L370-Y388 HydrophobicContact CD2-CD2 4.27Å; L384-Y388 WeakPolarHBondContact O-CB 3.47Å; L384-Y388 PolarHBondContact O-N 2.94Å; R386-Y388 VanDerWaalsContact C-N 3.29Å; R386-Y388 PolarHBondContact O-N 3.12Å; Y388-R392 PolarHBondContact OH-NH2 3.34Å
389R86.5Confident84.1Confident144 Ų14497 Ų9754%0.54346%0.458SS..Hα-helixtrans-75.8-34.6-179.1-143-176.1-161-161.31.1112.4P341 L385 R386 E387P341-R389 PolarHBondContact O-NE 3.41Å; P341-R389 PolarHBondContact O-NH2 3.29Å; L385-R389 PolarHBondContact O-N 3.45Å; L385-R389 VanDerWaalsContact O-N 3.17Å; R386-R389 WeakPolarHBondContact O-CB 3.4Å; R386-R389 PolarHBondContact O-N 3.06Å; E387-R389 VanDerWaalsContact C-N 3.27Å; E387-R389 PolarHBondContact O-N 2.78Å
390H83.5Confident83.7Confident158 Ų15898.2 Ų98.273%0.73147%0.466SS*.Hα-helixtrans-84.1-19.7178.8-68.2-59.8000113.2R386 E387 R392R386-H390 PolarHBondContact O-CD2 3.49Å; R386-H390 PolarHBondContact O-N 3.32Å; E387-H390 PolarHBondContact O-N 3.42Å; H390-R392 VanDerWaalsContact C-N 3.35Å
391G73.5Confident83.3Confident71 Ų71101.5 Ų101.573%0.73247%0.473SS*.THydrogen-bonded Turntrans-89.112.9177.700000115.5E387E387-G391 PolarHBondContact O-N 3.39Å
392R54.5Low83.4Confident225 Ų225107.4 Ų107.485%0.84950%0.495SS*.  trans-109.20177.5-99-163.5-164.1-160.55112.8Y388 H390Y388-R392 PolarHBondContact OH-NH2 3.34Å; H390-R392 VanDerWaalsContact C-N 3.35Å

Retrieved 392 of 392 residues in 53.8 ms (Link to these results)