A0A090N8Y4_HUMAN Loading...

FLJ45737 protein

AlphaFold DB , UniProt , Accession A0A090N8Y4, Species HUMAN (Homo sapiens, Human), Gene FLJ45737, Length 237 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M35.6Very low30.6Very low251 Ų251124.4 Ų124.4100%1.23684%0.841SS**  092.80-74.4161.4169.800107.1
2G32.8Very low30.9Very low70 Ų70124.8 Ų124.872%0.72284%0.841SS**  trans-88.5150.717600000110.3A4G2-A4 PolarHBondContact O-N 3.49Å
3P29.9Very low31Very low131 Ų131122.7 Ų122.785%0.85183%0.828SS**  trans-70.6128.8178.729.5-31000109.5T5P3-T5 PolarHBondContact O-N 3.47Å
4A29.5Very low31.6Very low94 Ų94122.4 Ų122.478%0.77782%0.824SS**  trans-70.5114.1171.900000109.1G2 L6G2-A4 PolarHBondContact O-N 3.49Å; A4-L6 PolarHBondContact O-N 3.32Å
5T31Very low32.3Very low143 Ų143120.3 Ų120.388%0.87781%0.811SS**  trans-70.3105.2165130000108.1P3 G7P3-T5 PolarHBondContact O-N 3.47Å; T5-G7 PolarHBondContact O-N 2.72Å
6L31.7Very low33.1Very low172 Ų172118.8 Ų118.890%0.90180%0.8SS**  trans-63.4103.4168-84.1132.4000108.6A4 A8A4-L6 PolarHBondContact O-N 3.32Å; L6-A8 PolarHBondContact O-N 3.27Å
7G28.1Very low33.9Very low71 Ų71123.5 Ų123.573%0.73280%0.797SS**  trans-65.6114.8166.100000108.9T5 A9T5-G7 PolarHBondContact O-N 2.72Å; G7-A9 PolarHBondContact O-N 3.22Å; G7-A9 VanDerWaalsContact O-N 3.08Å
8A29.1Very low35.1Very low99 Ų99128.6 Ų128.682%0.81880%0.798SS**  trans-66107.317100000108.3L6 C10L6-A8 PolarHBondContact O-N 3.27Å; A8-C10 PolarHBondContact O-N 3.33Å
9A29.8Very low36.4Very low86 Ų86128.7 Ų128.771%0.71180%0.799SS**  trans-68.7120.7171.600000109G7 T11G7-A9 PolarHBondContact O-N 3.22Å; G7-A9 VanDerWaalsContact O-N 3.08Å; A9-T11 PolarHBondContact O-N 2.86Å
10C29.6Very low37.4Very low131 Ų131125.6 Ų125.689%0.88578%0.78SS**  trans-65.396.3166.8-67.20000108A8A8-C10 PolarHBondContact O-N 3.33Å
11T29.8Very low38.3Very low120 Ų120123.9 Ų123.974%0.73677%0.769SS**  trans-74.4128.9171.446.40000108.6A9 S13A9-T11 PolarHBondContact O-N 2.86Å; T11-S13 PolarHBondContact O-N 3.05Å
12P34.1Very low39.2Very low130 Ų130117.5 Ų117.584%0.84475%0.749SS**  trans-67.9108.1175.624.7-30.2000109.3
13S32.6Very low40.2Very low97 Ų97119.1 Ų119.168%0.67875%0.749SS**PPolyproline II helixtrans-73.2146.3168.6-168.10000109.5T11 S15T11-S13 PolarHBondContact O-N 3.05Å; S13-S15 PolarHBondContact O-N 3.37Å; S13-S15 VanDerWaalsContact O-N 3.17Å
14P39.3Very low41.2Very low118 Ų118116 Ų11677%0.76673%0.73SS**PPolyproline II helixtrans-54.2124.3175.821.1-33000110.4P16P14-P16 VanDerWaalsContact O-CD 3.23Å; P14-P16 WeakPolarHBondContact O-CD 3.36Å
15S41.5Very low42.3Very low91 Ų91115.9 Ų115.964%0.63674%0.739SS**PPolyproline II helixtrans-67.7117.9179.8-460000109.8S13 W17S13-S15 PolarHBondContact O-N 3.37Å; S13-S15 VanDerWaalsContact O-N 3.17Å; S15-W17 PolarHBondContact O-N 3.46Å
16P44.9Very low43.6Very low97 Ų97114.1 Ų114.163%0.6373%0.728SS**PPolyproline II helixtrans-75.9122.1173.128.6-30000109.5P14P14-P16 VanDerWaalsContact O-CD 3.23Å; P14-P16 WeakPolarHBondContact O-CD 3.36Å
17W47.8Very low45.4Very low198 Ų198113.1 Ų113.175%0.7572%0.719SS**PPolyproline II helixtrans-73.8128168.2-39.891.1000108.3S15S15-W17 PolarHBondContact O-N 3.46Å
18R55.2Low47.9Very low215 Ų215112.4 Ų112.481%0.81170%0.7SS**  trans-112.2126.8169.6-84.4-175.2-95.1-104.20.6108.3P20R18-P20 WeakPolarHBondContact O-CD 3.42Å
19T58.8Low50.5Low132 Ų132111.9 Ų111.981%0.8168%0.681SS**  trans-106.799.1174.3480000108.7
20P57.4Low53.2Low65 Ų65108.6 Ų108.642%0.42266%0.656SS.*  trans-68.4139.2171.510.4-3.4000110.2R18 F35R18-P20 WeakPolarHBondContact O-CD 3.42Å; P20-F35 HydrophobicContact CB-CD1 4.22Å; P20-F35 HydrophobicContact CB-CE1 3.92Å; P20-F35 HydrophobicContact CB-CE2 4.45Å; P20-F35 HydrophobicContact CB-CZ 4.04Å; P20-F35 HydrophobicContact CG-CD1 4.35Å; P20-F35 HydrophobicContact CG-CD2 4Å; P20-F35 HydrophobicContact CG-CE1 4.18Å; P20-F35 HydrophobicContact CG-CE2 3.83Å; P20-F35 HydrophobicContact CG-CG 4.26Å; P20-F35 HydrophobicContact CG-CZ 3.91Å
21T56.5Low56Low91 Ų91107.7 Ų107.756%0.55864%0.641SS**  trans-95.6136.5170.254.20000110.1S23T21-S23 PolarHBondContact O-N 3.36Å; T21-S23 VanDerWaalsContact O-N 3.09Å
22S53.7Low58.9Low116 Ų116108.1 Ų108.181%0.81165%0.648SS**THydrogen-bonded Turntrans-65-9.4-178.456.50000114.4S24S22-S24 VanDerWaalsContact C-N 3.31Å; S22-S24 PolarHBondContact O-N 2.65Å
23S54.1Low61.4Low104 Ų104102.2 Ų102.273%0.72761%0.61SS**THydrogen-bonded Turntrans-81.2-6.6-176.760.70000114.3T21T21-S23 PolarHBondContact O-N 3.36Å; T21-S23 VanDerWaalsContact O-N 3.09Å
24S50.7Low64.1Low65 Ų6597.9 Ų97.946%0.45558%0.58SS.*SBendtrans-99.2116.8177.9-46.80000107.5S22 T26S22-S24 VanDerWaalsContact C-N 3.31Å; S22-S24 PolarHBondContact O-N 2.65Å; S24-T26 PolarHBondContact O-N 3.06Å
25G53.4Low66.4Low93 Ų9397.5 Ų97.596%0.95957%0.566SS**  trans-65.830.7176.400000114.6
26T58.3Low68.4Low105 Ų10596.3 Ų96.364%0.64456%0.555SS**  trans-96.7107.3-179-42.30000107.8S24 V28S24-T26 PolarHBondContact O-N 3.06Å; T26-V28 PolarHBondContact O-N 3.48Å; T26-V28 VanDerWaalsContact O-N 3.17Å
27Q69.3Low70.1Confident151 Ų151101.1 Ų101.171%0.70657%0.569SS**  trans-63.5114.9167.5-173.4170.9100107.8
28V79.8Confident71.9Confident56 Ų5694.6 Ų94.634%0.33955%0.549SS..  trans-85.4145.3175-61.70000108.8T26 T34 F35T26-V28 PolarHBondContact O-N 3.48Å; T26-V28 VanDerWaalsContact O-N 3.17Å; V28-T34 WeakPolarHBondContact CG2-O 3.31Å; V28-T34 VanDerWaalsContact O-CA 3.29Å; V28-T34 WeakPolarHBondContact O-CA 3.05Å; V28-F35 HydrophobicContact CG2-CB 3.28Å; V28-F35 HydrophobicContact CG2-CG 4.3Å
29Q83.3Confident73.3Confident88 Ų8892.5 Ų92.541%0.41155%0.549SS..  trans-146.8125.9172.3-168.7177.410.500108.5L44 T45 F61Q29-L44 PolarHBondContact NE2-O 3.19Å; Q29-T45 PolarHBondContact NE2-O 3.12Å; Q29-F61 HydrophobicContact CG-CE1 4.35Å; Q29-F61 HydrophobicContact CG-CZ 4.18Å
30G87.1Confident74.7Confident18 Ų1894 Ų9419%0.18655%0.546CS..BIsolated β-bridgetrans176.7-171.7-175.100000111.7C32 G33 F57 F61G30-C32 PolarHBondContact O-N 3.09Å; G30-G33 PolarHBondContact N-O 2.81Å; G30-G33 PolarHBondContact O-N 3.08Å; G30-F57 WeakPolarHBondContact O-CZ 2.97Å; G30-F61 VanDerWaalsContact CA-CE1 3.41Å
31L89.4Confident76.2Confident111 Ų11192.6 Ų92.658%0.58154%0.535SS*.THydrogen-bonded Turntrans-60.5-12.9175.5-65.4176.4000114.1F57 A58 F61L31-F57 HydrophobicContact CD2-CE1 4.31Å; L31-A58 HydrophobicContact CD2-CB 3.99Å; L31-F61 HydrophobicContact CD2-CB 3.85Å; L31-F61 HydrophobicContact CD2-CD2 4.18Å; L31-F61 HydrophobicContact CD2-CG 4.17Å; L31-F61 HydrophobicContact CG-CB 4.12Å; L31-F61 HydrophobicContact CG-CG 4.48Å
32C89.1Confident77.8Confident130 Ų13090.6 Ų90.688%0.87852%0.521SS*.THydrogen-bonded Turntrans-94.512.6174.5-58.70000113G30G30-C32 PolarHBondContact O-N 3.09Å
33G88.1Confident79.6Confident5 Ų588.4 Ų88.45%0.05250%0.497CS..BIsolated β-bridgetrans82.5-158179.900000114.1G30 D42G30-G33 PolarHBondContact N-O 2.81Å; G30-G33 PolarHBondContact O-N 3.08Å; G33-D42 WeakPolarHBondContact CA-O 3.44Å
34T88.3Confident81.4Confident6 Ų685.2 Ų85.24%0.03747%0.472CS..  trans-103.3-13.9-17361.30000113.2V28 T36 D41 D42 L44V28-T34 WeakPolarHBondContact CG2-O 3.31Å; V28-T34 VanDerWaalsContact O-CA 3.29Å; V28-T34 WeakPolarHBondContact O-CA 3.05Å; T34-T36 PolarHBondContact O-N 2.86Å; T34-T36 WeakPolarHBondContact OG1-CG2 3.3Å; T34-T36 PolarHBondContact OG1-N 3.4Å; T34-T36 PolarHBondContact OG1-OG1 3.48Å; T34-T36 VanDerWaalsContact OG1-OG1 3.08Å; T34-D41 WeakPolarHBondContact CB-OD1 3.48Å; T34-D41 WeakPolarHBondContact CG2-O 3.34Å; T34-D41 PolarHBondContact OG1-OD1 3.09Å; T34-D42 PolarHBondContact N-OD1 2.94Å; T34-L44 HydrophobicContact CG2-CB 3.92Å; T34-L44 HydrophobicContact CG2-CD2 4.1Å
35F86.9Confident83.3Confident110 Ų11082.2 Ų82.248%0.48245%0.45SS..  trans57.530.2-176.2-162.9-115.7000114.1P20 V28 Q37P20-F35 HydrophobicContact CB-CD1 4.22Å; P20-F35 HydrophobicContact CB-CE1 3.92Å; P20-F35 HydrophobicContact CB-CE2 4.45Å; P20-F35 HydrophobicContact CB-CZ 4.04Å; P20-F35 HydrophobicContact CG-CD1 4.35Å; P20-F35 HydrophobicContact CG-CD2 4Å; P20-F35 HydrophobicContact CG-CE1 4.18Å; P20-F35 HydrophobicContact CG-CE2 3.83Å; P20-F35 HydrophobicContact CG-CG 4.26Å; P20-F35 HydrophobicContact CG-CZ 3.91Å; V28-F35 HydrophobicContact CG2-CB 3.28Å; V28-F35 HydrophobicContact CG2-CG 4.3Å; F35-Q37 VanDerWaalsContact C-N 3.33Å
36T84.8Confident84.9Confident66 Ų6681.5 Ų81.541%0.40543%0.429SS..SBendtrans-87.40.5177.559.10000113.6T34 N38 D41T34-T36 PolarHBondContact O-N 2.86Å; T34-T36 WeakPolarHBondContact OG1-CG2 3.3Å; T34-T36 PolarHBondContact OG1-N 3.4Å; T34-T36 PolarHBondContact OG1-OG1 3.48Å; T34-T36 VanDerWaalsContact OG1-OG1 3.08Å; T36-N38 PolarHBondContact O-N 2.83Å; T36-N38 PolarHBondContact OG1-N 3.45Å; T36-D41 PolarHBondContact OG1-OD1 2.04Å; T36-D41 PolarHBondContact OG1-OD2 3.22Å
37Q80.9Confident86.3Confident198 Ų19880.7 Ų80.793%0.92543%0.433SS*.SBendtrans64.210.2-166.9-50.9-178.523.100114.5F35F35-Q37 VanDerWaalsContact C-N 3.33Å
38N84.7Confident87.2Confident62 Ų6276.1 Ų76.133%0.33243%0.427SS..  trans-109.9101.1176.6174.827.6000110.8T36 Q40 D41T36-N38 PolarHBondContact O-N 2.83Å; T36-N38 PolarHBondContact OG1-N 3.45Å; N38-Q40 PolarHBondContact O-N 3.46Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.45Å; N38-Q40 PolarHBondContact OD1-N 2.88Å; N38-D41 PolarHBondContact ND2-OD2 2.79Å; N38-D41 PolarHBondContact O-N 3.25Å; N38-D41 VanDerWaalsContact O-N 3.11Å
39Q85.4Confident87.8Confident171 Ų17176.4 Ų76.480%0.79943%0.426SS*.THydrogen-bonded Turntrans-59.8-18.5-179.6-69-179.48.400114.1D41 D42Q39-D41 VanDerWaalsContact C-N 3.27Å; Q39-D41 PolarHBondContact O-N 3.25Å; Q39-D42 WeakPolarHBondContact CA-OD2 3.49Å
40Q88.4Confident88.2Confident163 Ų16375.8 Ų75.876%0.76243%0.428SS*.THydrogen-bonded Turntrans-72.8-20.8-179.8-58.4-176.16.600113N38N38-Q40 PolarHBondContact O-N 3.46Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.45Å; N38-Q40 PolarHBondContact OD1-N 2.88Å
41D88.9Confident88.4Confident36 Ų3676.8 Ų76.819%0.19343%0.428CS..THydrogen-bonded Turntrans-106.21.7178.767.634.6000113T34 T36 N38 Q39 F43 L44T34-D41 WeakPolarHBondContact CB-OD1 3.48Å; T34-D41 WeakPolarHBondContact CG2-O 3.34Å; T34-D41 PolarHBondContact OG1-OD1 3.09Å; T36-D41 PolarHBondContact OG1-OD1 2.04Å; T36-D41 PolarHBondContact OG1-OD2 3.22Å; N38-D41 PolarHBondContact ND2-OD2 2.79Å; N38-D41 PolarHBondContact O-N 3.25Å; N38-D41 VanDerWaalsContact O-N 3.11Å; Q39-D41 VanDerWaalsContact C-N 3.27Å; Q39-D41 PolarHBondContact O-N 3.25Å; D41-F43 PolarHBondContact O-N 3.14Å; D41-F43 VanDerWaalsContact O-N 3.08Å; D41-L44 WeakPolarHBondContact O-CB 3.05Å; D41-L44 PolarHBondContact O-N 3.4Å
42D89.3Confident88.3Confident48 Ų4878.1 Ų78.126%0.25744%0.441SS..THydrogen-bonded Turntrans-62.1-21178.7-82.5-26.9000112.8G33 T34 Q39 F57G33-D42 WeakPolarHBondContact CA-O 3.44Å; T34-D42 PolarHBondContact N-OD1 2.94Å; Q39-D42 WeakPolarHBondContact CA-OD2 3.49Å; D42-F57 WeakPolarHBondContact O-CZ 3.04Å
43F92.3Very high88.1Confident71 Ų7174.3 Ų74.331%0.31142%0.416SS..THydrogen-bonded Turntrans-95.922173.3-64.9-12.2000114.3D41 T45 V50 E51 I54 F57D41-F43 PolarHBondContact O-N 3.14Å; D41-F43 VanDerWaalsContact O-N 3.08Å; F43-T45 PolarHBondContact O-N 3.43Å; F43-V50 HydrophobicContact CB-CG1 4.29Å; F43-E51 VanDerWaalsContact CB-O 3.31Å; F43-E51 WeakPolarHBondContact CB-O 3.39Å; F43-E51 WeakPolarHBondContact CD2-O 3.46Å; F43-E51 PolarHBondContact O-N 3.13Å; F43-E51 VanDerWaalsContact O-N 3.1Å; F43-I54 HydrophobicContact CE2-CG1 4.03Å; F43-I54 HydrophobicContact CZ-CG1 3.65Å; F43-F57 VanDerWaalsContact C-CD2 3.46Å; F43-F57 VanDerWaalsContact C-CE2 3.41Å; F43-F57 VanDerWaalsContact CA-CD2 3.43Å; F43-F57 HydrophobicContact CB-CB 4.27Å; F43-F57 HydrophobicContact CB-CD2 3.82Å; F43-F57 HydrophobicContact CB-CE2 4.28Å; F43-F57 HydrophobicContact CB-CG 3.99Å; F43-F57 HydrophobicContact CD1-CB 4.33Å; F43-F57 AromaticContact CD1-CD1 3.59Å; F43-F57 HydrophobicContact CD1-CD1 3.59Å; F43-F57 HydrophobicContact CD1-CD2 4.26Å; F43-F57 AromaticContact CD1-CE1 3.85Å; F43-F57 HydrophobicContact CD1-CE1 3.85Å; F43-F57 HydrophobicContact CD1-CE2 4.46Å; F43-F57 AromaticContact CD1-CG 3.8Å; F43-F57 HydrophobicContact CD1-CG 3.8Å; F43-F57 HydrophobicContact CD1-CZ 4.28Å; F43-F57 HydrophobicContact CE1-CD1 4.07Å; F43-F57 HydrophobicContact CE1-CE1 4.38Å; F43-F57 HydrophobicContact CG-CB 4.18Å; F43-F57 HydrophobicContact CG-CD1 4.25Å; F43-F57 HydrophobicContact CG-CD2 4.3Å; F43-F57 AromaticContact CG-CG 3.99Å; F43-F57 HydrophobicContact CG-CG 3.99Å; F43-F57 VanDerWaalsContact O-CD2 3.28Å; F43-F57 WeakPolarHBondContact O-CD2 3.4Å
44L91.9Very high87.9Confident37 Ų3779.5 Ų79.519%0.19444%0.441CS..BIsolated β-bridgetrans-67.4117.6172.8-174.571.5000111.1Q29 T34 D41 G48 D49 V50Q29-L44 PolarHBondContact NE2-O 3.19Å; T34-L44 HydrophobicContact CG2-CB 3.92Å; T34-L44 HydrophobicContact CG2-CD2 4.1Å; D41-L44 WeakPolarHBondContact O-CB 3.05Å; D41-L44 PolarHBondContact O-N 3.4Å; L44-G48 WeakPolarHBondContact CD1-O 3.45Å; L44-D49 WeakPolarHBondContact CA-O 3.22Å; L44-V50 HydrophobicContact CB-CG2 4.44Å; L44-V50 HydrophobicContact CD1-CG2 3.82Å
45T89.3Confident87.6Confident1 Ų181.7 Ų81.71%0.00646%0.46CS..  trans-85.2164-179.197.80000112.2Q29 F43 A47 G48 D49 E51 F57 K60Q29-T45 PolarHBondContact NE2-O 3.12Å; F43-T45 PolarHBondContact O-N 3.43Å; T45-A47 PolarHBondContact O-N 3.32Å; T45-A47 PolarHBondContact OG1-N 3.42Å; T45-G48 PolarHBondContact O-N 3.02Å; T45-D49 WeakPolarHBondContact CG2-O 3.48Å; T45-D49 PolarHBondContact N-O 3.48Å; T45-D49 PolarHBondContact OG1-OD1 3.46Å; T45-E51 HydrophobicContact CG2-CB 4.38Å; T45-E51 HydrophobicContact CG2-CG 3.48Å; T45-E51 VanDerWaalsContact CG2-CG 3.48Å; T45-F57 HydrophobicContact CG2-CD2 4.43Å; T45-K60 HydrophobicContact CG2-CB 4.23Å; T45-K60 HydrophobicContact CG2-CG 3.91Å
46P87.8Confident87.5Confident79 Ų7977.7 Ų77.751%0.51345%0.447SS..THydrogen-bonded Turntrans-59.2-17.6176-22.235.1000114.1G48 F61P46-G48 VanDerWaalsContact C-N 3.33Å; P46-F61 HydrophobicContact CG-CD1 4.09Å; P46-F61 HydrophobicContact CG-CE1 3.68Å; P46-F61 HydrophobicContact CG-CE2 4.38Å; P46-F61 HydrophobicContact CG-CZ 3.87Å
47A87.9Confident87.8Confident88 Ų8874.9 Ų74.973%0.72743%0.429SS*.THydrogen-bonded Turntrans-85.1-4.7175.600000113.5T45T45-A47 PolarHBondContact O-N 3.32Å; T45-A47 PolarHBondContact OG1-N 3.42Å
48G88.6Confident88Confident55 Ų5567.3 Ų67.357%0.56740%0.401SS*.SBendtrans88.11.1175.800000115.2L44 T45 P46L44-G48 WeakPolarHBondContact CD1-O 3.45Å; T45-G48 PolarHBondContact O-N 3.02Å; P46-G48 VanDerWaalsContact C-N 3.33Å
49D91.4Very high88Confident61 Ų6166.8 Ų66.833%0.32640%0.402SS..  trans-86.6157.1169.359.1-37.3000111.6L44 T45 K60L44-D49 WeakPolarHBondContact CA-O 3.22Å; T45-D49 WeakPolarHBondContact CG2-O 3.48Å; T45-D49 PolarHBondContact N-O 3.48Å; T45-D49 PolarHBondContact OG1-OD1 3.46Å; D49-K60 IonicContact OD2-NZ 3.9Å
50V91.9Very high88.1Confident75 Ų7563.1 Ų63.146%0.45538%0.383SS..BIsolated β-bridgetrans-107.7118.9174.7-179.60000108.3F43 L44F43-V50 HydrophobicContact CB-CG1 4.29Å; L44-V50 HydrophobicContact CB-CG2 4.44Å; L44-V50 HydrophobicContact CD1-CG2 3.82Å
51E91.8Very high88Confident39 Ų3957.5 Ų57.518%0.18236%0.356CS..  trans-81.4152.1178.4-73.7-74.1-173.600111.2F43 T45 A56 F57 K60F43-E51 VanDerWaalsContact CB-O 3.31Å; F43-E51 WeakPolarHBondContact CB-O 3.39Å; F43-E51 WeakPolarHBondContact CD2-O 3.46Å; F43-E51 PolarHBondContact O-N 3.13Å; F43-E51 VanDerWaalsContact O-N 3.1Å; T45-E51 HydrophobicContact CG2-CB 4.38Å; T45-E51 HydrophobicContact CG2-CG 3.48Å; T45-E51 VanDerWaalsContact CG2-CG 3.48Å; E51-A56 HydrophobicContact CB-CB 4.49Å; E51-A56 HydrophobicContact CG-CB 4.32Å; E51-F57 HydrophobicContact CB-CB 3.94Å; E51-K60 WeakPolarHBondContact OE1-CE 3.44Å; E51-K60 IonicContact OE1-NZ 3.11Å; E51-K60 PolarHBondContact OE1-NZ 2.9Å; E51-K60 VanDerWaalsContact OE1-NZ 3.11Å
52T87.3Confident87.7Confident140 Ų14060.9 Ų60.986%0.85937%0.371SS*.SBendtrans-99.5-12.6-179.654.60000113.3
53S83.7Confident87.2Confident50 Ų5065.1 Ų65.135%0.3540%0.398SS..SBendtrans-121.1142.2179.180.70000111.6A55 A56 F57S53-A55 VanDerWaalsContact C-N 3.28Å; S53-A55 PolarHBondContact O-N 2.87Å; S53-A56 PolarHBondContact O-N 2.85Å; S53-A56 WeakPolarHBondContact OG-CB 3.19Å; S53-A56 PolarHBondContact OG-N 2.91Å; S53-A56 VanDerWaalsContact OG-N 3.11Å; S53-F57 WeakPolarHBondContact O-CB 3.39Å; S53-F57 PolarHBondContact O-N 3.02Å
54I84.9Confident85.9Confident114 Ų11466.9 Ų66.959%0.58543%0.426SS*.Hα-helixtrans-58.9-41.9178.2-61.2169.2000110.7F43 A58F43-I54 HydrophobicContact CE2-CG1 4.03Å; F43-I54 HydrophobicContact CZ-CG1 3.65Å; I54-A58 VanDerWaalsContact O-CB 3.26Å; I54-A58 WeakPolarHBondContact O-CB 3.41Å; I54-A58 PolarHBondContact O-N 2.95Å
55A82.1Confident84.4Confident52 Ų5267.9 Ų67.943%0.4345%0.445SS..Hα-helixtrans-66.8-47.1-178.600000111.7S53 A58 S59S53-A55 VanDerWaalsContact C-N 3.28Å; S53-A55 PolarHBondContact O-N 2.87Å; A55-A58 PolarHBondContact O-N 2.94Å; A55-S59 WeakPolarHBondContact O-CB 3.03Å; A55-S59 PolarHBondContact O-N 3.13Å
56A84.6Confident82.8Confident26 Ų2679 Ų7922%0.21549%0.494CS..Hα-helixtrans-61.2-47.317600000110.7E51 S53 S59 K60E51-A56 HydrophobicContact CB-CB 4.49Å; E51-A56 HydrophobicContact CG-CB 4.32Å; S53-A56 PolarHBondContact O-N 2.85Å; S53-A56 WeakPolarHBondContact OG-CB 3.19Å; S53-A56 PolarHBondContact OG-N 2.91Å; S53-A56 VanDerWaalsContact OG-N 3.11Å; A56-S59 PolarHBondContact O-N 3.24Å; A56-S59 PolarHBondContact O-OG 3.16Å; A56-K60 WeakPolarHBondContact O-CG 3.24Å; A56-K60 PolarHBondContact O-N 3.39Å
57F90Very high81.3Confident7 Ų777.9 Ų77.93%0.03150%0.496CS..Hα-helixtrans-55.3-55.9175.1172.7-112.6000112.3G30 L31 D42 F43 T45 E51 S53 S59 K60 F61G30-F57 WeakPolarHBondContact O-CZ 2.97Å; L31-F57 HydrophobicContact CD2-CE1 4.31Å; D42-F57 WeakPolarHBondContact O-CZ 3.04Å; F43-F57 VanDerWaalsContact C-CD2 3.46Å; F43-F57 VanDerWaalsContact C-CE2 3.41Å; F43-F57 VanDerWaalsContact CA-CD2 3.43Å; F43-F57 HydrophobicContact CB-CB 4.27Å; F43-F57 HydrophobicContact CB-CD2 3.82Å; F43-F57 HydrophobicContact CB-CE2 4.28Å; F43-F57 HydrophobicContact CB-CG 3.99Å; F43-F57 HydrophobicContact CD1-CB 4.33Å; F43-F57 AromaticContact CD1-CD1 3.59Å; F43-F57 HydrophobicContact CD1-CD1 3.59Å; F43-F57 HydrophobicContact CD1-CD2 4.26Å; F43-F57 AromaticContact CD1-CE1 3.85Å; F43-F57 HydrophobicContact CD1-CE1 3.85Å; F43-F57 HydrophobicContact CD1-CE2 4.46Å; F43-F57 AromaticContact CD1-CG 3.8Å; F43-F57 HydrophobicContact CD1-CG 3.8Å; F43-F57 HydrophobicContact CD1-CZ 4.28Å; F43-F57 HydrophobicContact CE1-CD1 4.07Å; F43-F57 HydrophobicContact CE1-CE1 4.38Å; F43-F57 HydrophobicContact CG-CB 4.18Å; F43-F57 HydrophobicContact CG-CD1 4.25Å; F43-F57 HydrophobicContact CG-CD2 4.3Å; F43-F57 AromaticContact CG-CG 3.99Å; F43-F57 HydrophobicContact CG-CG 3.99Å; F43-F57 VanDerWaalsContact O-CD2 3.28Å; F43-F57 WeakPolarHBondContact O-CD2 3.4Å; T45-F57 HydrophobicContact CG2-CD2 4.43Å; E51-F57 HydrophobicContact CB-CB 3.94Å; S53-F57 WeakPolarHBondContact O-CB 3.39Å; S53-F57 PolarHBondContact O-N 3.02Å; F57-S59 PolarHBondContact O-N 3.43Å; F57-K60 WeakPolarHBondContact O-CB 3.14Å; F57-K60 PolarHBondContact O-N 3.04Å; F57-F61 HydrophobicContact CD2-CD2 4.39Å; F57-F61 AromaticContact CD2-CE2 3.8Å; F57-F61 HydrophobicContact CD2-CE2 3.8Å; F57-F61 HydrophobicContact CE1-CE2 4.46Å; F57-F61 HydrophobicContact CE2-CD2 4.05Å; F57-F61 AromaticContact CE2-CE2 3.21Å; F57-F61 HydrophobicContact CE2-CE2 3.21Å; F57-F61 AromaticContact CE2-CZ 3.92Å; F57-F61 HydrophobicContact CE2-CZ 3.92Å; F57-F61 HydrophobicContact CZ-CD2 4.21Å; F57-F61 AromaticContact CZ-CE2 3.61Å; F57-F61 HydrophobicContact CZ-CE2 3.61Å; F57-F61 HydrophobicContact CZ-CZ 4.19Å; F57-F61 WeakPolarHBondContact O-CD2 3.4Å
58A86.8Confident80Confident39 Ų3985.4 Ų85.432%0.32251%0.506SS..Hα-helixtrans-61-33.8-177.300000112.5L31 I54 A55 K60 F61L31-A58 HydrophobicContact CD2-CB 3.99Å; I54-A58 VanDerWaalsContact O-CB 3.26Å; I54-A58 WeakPolarHBondContact O-CB 3.41Å; I54-A58 PolarHBondContact O-N 2.95Å; A55-A58 PolarHBondContact O-N 2.94Å; A58-K60 PolarHBondContact O-N 2.89Å; A58-F61 PolarHBondContact O-N 2.83Å
59S83.9Confident78.6Confident51 Ų5187 Ų8736%0.35751%0.507SS..Hα-helixtrans-62.2-29.6177.579.30000113.3A55 A56 F57 F61 Q62A55-S59 WeakPolarHBondContact O-CB 3.03Å; A55-S59 PolarHBondContact O-N 3.13Å; A56-S59 PolarHBondContact O-N 3.24Å; A56-S59 PolarHBondContact O-OG 3.16Å; F57-S59 PolarHBondContact O-N 3.43Å; S59-F61 PolarHBondContact O-N 3.15Å; S59-Q62 VanDerWaalsContact O-CG 3.31Å; S59-Q62 WeakPolarHBondContact O-CG 3.21Å; S59-Q62 PolarHBondContact O-N 3.23Å
60K87.6Confident77.1Confident94 Ų9489.3 Ų89.341%0.40953%0.525SS..THydrogen-bonded Turntrans-74.3-14.5-179.6-57.7-81.3178.61410113.2T45 D49 E51 A56 F57 A58T45-K60 HydrophobicContact CG2-CB 4.23Å; T45-K60 HydrophobicContact CG2-CG 3.91Å; D49-K60 IonicContact OD2-NZ 3.9Å; E51-K60 WeakPolarHBondContact OE1-CE 3.44Å; E51-K60 IonicContact OE1-NZ 3.11Å; E51-K60 PolarHBondContact OE1-NZ 2.9Å; E51-K60 VanDerWaalsContact OE1-NZ 3.11Å; A56-K60 WeakPolarHBondContact O-CG 3.24Å; A56-K60 PolarHBondContact O-N 3.39Å; F57-K60 WeakPolarHBondContact O-CB 3.14Å; F57-K60 PolarHBondContact O-N 3.04Å; A58-K60 PolarHBondContact O-N 2.89Å
61F86.3Confident75.3Confident44 Ų4489.5 Ų89.519%0.19353%0.53CS..THydrogen-bonded Turntrans-103.110.5177.8-70.6-91.4000113.1Q29 G30 L31 P46 F57 A58 S59 V63Q29-F61 HydrophobicContact CG-CE1 4.35Å; Q29-F61 HydrophobicContact CG-CZ 4.18Å; G30-F61 VanDerWaalsContact CA-CE1 3.41Å; L31-F61 HydrophobicContact CD2-CB 3.85Å; L31-F61 HydrophobicContact CD2-CD2 4.18Å; L31-F61 HydrophobicContact CD2-CG 4.17Å; L31-F61 HydrophobicContact CG-CB 4.12Å; L31-F61 HydrophobicContact CG-CG 4.48Å; P46-F61 HydrophobicContact CG-CD1 4.09Å; P46-F61 HydrophobicContact CG-CE1 3.68Å; P46-F61 HydrophobicContact CG-CE2 4.38Å; P46-F61 HydrophobicContact CG-CZ 3.87Å; F57-F61 HydrophobicContact CD2-CD2 4.39Å; F57-F61 AromaticContact CD2-CE2 3.8Å; F57-F61 HydrophobicContact CD2-CE2 3.8Å; F57-F61 HydrophobicContact CE1-CE2 4.46Å; F57-F61 HydrophobicContact CE2-CD2 4.05Å; F57-F61 AromaticContact CE2-CE2 3.21Å; F57-F61 HydrophobicContact CE2-CE2 3.21Å; F57-F61 AromaticContact CE2-CZ 3.92Å; F57-F61 HydrophobicContact CE2-CZ 3.92Å; F57-F61 HydrophobicContact CZ-CD2 4.21Å; F57-F61 AromaticContact CZ-CE2 3.61Å; F57-F61 HydrophobicContact CZ-CE2 3.61Å; F57-F61 HydrophobicContact CZ-CZ 4.19Å; F57-F61 WeakPolarHBondContact O-CD2 3.4Å; A58-F61 PolarHBondContact O-N 2.83Å; S59-F61 PolarHBondContact O-N 3.15Å; F61-V63 PolarHBondContact O-N 3.32Å
62Q82.3Confident73.5Confident107 Ų10794.4 Ų94.450%0.555%0.553SS.*  trans-64.1119.7174.6-69.6179.731.400110.5S59S59-Q62 VanDerWaalsContact O-CG 3.31Å; S59-Q62 WeakPolarHBondContact O-CG 3.21Å; S59-Q62 PolarHBondContact O-N 3.23Å
63V78.3Confident71.6Confident137 Ų13794.6 Ų94.683%0.8355%0.549SS*.  trans-79131.9173.7-176.50000108.7F61 G65F61-V63 PolarHBondContact O-N 3.32Å; V63-G65 PolarHBondContact O-N 3.24Å
64A64.7Low69.9Low109 Ų10996.3 Ų96.390%0.90156%0.561SS**  trans-62.8102.7176.200000110.6
65G60.3Low68.2Low57 Ų5794.8 Ų94.859%0.58857%0.565SS**  trans-120.3172.2175.400000112.3V63 G67V63-G65 PolarHBondContact O-N 3.24Å; G65-G67 PolarHBondContact O-N 3.46Å
66K56Low67Low236 Ų23699 Ų99100%1.02658%0.58SS**SBendtrans-65.313.2179.9-83.4-172.9176.2-176.70115.4
67G58.1Low65.9Low55 Ų55103.3 Ų103.357%0.56760%0.599SS**SBendtrans-143.5127.7174.300000109G65 C69G65-G67 PolarHBondContact O-N 3.46Å; G67-C69 PolarHBondContact O-N 2.68Å
68R58.6Low65.2Low246 Ų246105.4 Ų105.493%0.92861%0.614SS**  trans-78.9113170.8-145.9172.4-169.2-119.11.8106.3P70R68-P70 WeakPolarHBondContact O-CD 3.5Å
69C60.2Low64.9Low89 Ų89105.6 Ų105.660%0.60161%0.612SS**  trans-64.2124.2164.5-68.20000106.6G67 S71G67-C69 PolarHBondContact O-N 2.68Å; C69-S71 PolarHBondContact O-N 3.35Å
70P59.9Low65.1Low108 Ų108103.6 Ų103.670%0.70160%0.598SS**  trans-52.5136.1171.7-22.732.9000109.1R68 E72R68-P70 WeakPolarHBondContact O-CD 3.5Å; P70-E72 PolarHBondContact O-N 3.47Å; P70-E72 VanDerWaalsContact O-N 3.11Å
71S54.4Low65Low79 Ų79103 Ų10355%0.55260%0.602SS**  trans-64.4114.3168.153.10000106.8C69 D73C69-S71 PolarHBondContact O-N 3.35Å; S71-D73 PolarHBondContact O-N 3.1Å; S71-D73 PolarHBondContact OG-OD2 3.03Å
72E54.4Low64.9Low142 Ų142104.8 Ų104.866%0.66462%0.617SS**  trans-76.376.1171.6-62.9-120122.400107.4P70 S74P70-E72 PolarHBondContact O-N 3.47Å; P70-E72 VanDerWaalsContact O-N 3.11Å; E72-S74 PolarHBondContact O-N 2.01Å
73D46.9Very low65Low144 Ų144103 Ų10377%0.7761%0.608SS**  trans-74.63.8168.1-72.1-48.6000111.8S71 A75S71-D73 PolarHBondContact O-N 3.1Å; S71-D73 PolarHBondContact OG-OD2 3.03Å; D73-A75 PolarHBondContact O-N 3.35Å
74S48Very low65.4Low86 Ų86100.3 Ų100.360%0.60160%0.596SS**SBendtrans-70.1112.3168.1-58.90000107.7E72 L76E72-S74 PolarHBondContact O-N 2.01Å; S74-L76 PolarHBondContact O-N 2.88Å
75A49.7Very low66.6Low83 Ų83101.6 Ų101.669%0.68658%0.583SS**  trans-39.5120.6160.600000107.7D73 L77D73-A75 PolarHBondContact O-N 3.35Å; A75-L77 PolarHBondContact O-N 2.04Å
76L55.7Low68.1Low139 Ų139102.5 Ų102.573%0.72857%0.569SS**  trans-63.174.1-178.5-71.6167.2000108.8S74 S78S74-L76 PolarHBondContact O-N 2.88Å; L76-S78 PolarHBondContact O-N 2.88Å; L76-S78 VanDerWaalsContact O-N 3.09Å
77L62.3Low69.8Low118 Ų11894.5 Ų94.562%0.61854%0.535SS*.  trans-61.1116.2168.9-74.6177.3000105A75 T81 T82A75-L77 PolarHBondContact O-N 2.04Å; L77-T81 WeakPolarHBondContact CB-OG1 3.04Å; L77-T82 HydrophobicContact CB-CG2 4.11Å
78S73.8Confident71.5Confident51 Ų5195.2 Ų95.236%0.35754%0.535SS..  trans-49.3138.6177.6162.10000108.6L76 C80 T81 T82L76-S78 PolarHBondContact O-N 2.88Å; L76-S78 VanDerWaalsContact O-N 3.09Å; S78-C80 PolarHBondContact O-N 2.76Å; S78-C80 PolarHBondContact OG-N 2.82Å; S78-T81 PolarHBondContact N-OG1 2.9Å; S78-T81 WeakPolarHBondContact O-CA 2.91Å; S78-T81 WeakPolarHBondContact O-CB 3.04Å; S78-T81 PolarHBondContact O-N 2.85Å; S78-T81 PolarHBondContact O-OG1 2.97Å; S78-T82 PolarHBondContact O-N 2.98Å
79P82.3Confident73.2Confident43 Ų4390.1 Ų90.128%0.27952%0.52SS..Hα-helixtrans-51.1-25.1176.2-28.935.5000113.7T82 H83 A120 C123P79-T82 WeakPolarHBondContact CA-OG1 3.5Å; P79-T82 PolarHBondContact O-OG1 2.86Å; P79-H83 WeakPolarHBondContact O-CB 3.03Å; P79-H83 PolarHBondContact O-N 3.07Å; P79-H83 PolarHBondContact O-ND1 2.8Å; P79-A120 WeakPolarHBondContact CB-O 3.29Å; P79-A120 HydrophobicContact CG-CB 4.17Å; P79-C123 HydrophobicContact CB-CB 4.1Å
80C86.4Confident74.8Confident8 Ų885.9 Ų85.95%0.05449%0.492CS..Hα-helixtrans-75.4-21.5174.3-60.50000114.4S78 H83 S84 L119 C123S78-C80 PolarHBondContact O-N 2.76Å; S78-C80 PolarHBondContact OG-N 2.82Å; C80-H83 CarbonylContact O-C 3.51Å; C80-S84 WeakPolarHBondContact O-CA 3.28Å; C80-S84 PolarHBondContact O-N 3.44Å; C80-L119 VanDerWaalsContact SG-C 3.54Å; C80-L119 PolarHBondContact SG-O 3.19Å; C80-C123 WeakPolarHBondContact CA-SG 3.24Å; C80-C123 HydrophobicContact CB-CB 3.83Å; C80-C123 WeakPolarHBondContact CB-SG 3.45Å; C80-C123 WeakPolarHBondContact SG-CB 3.4Å; C80-C123 CovalentContact SG-SG 2.04Å; C80-C123 PolarHBondContact SG-SG 3.08Å
81T85.7Confident76.5Confident82 Ų8285 Ų8550%0.50348%0.478SS..Hα-helixtrans-78.3-37.7171.761.10000111.5L77 S78L77-T81 WeakPolarHBondContact CB-OG1 3.04Å; S78-T81 PolarHBondContact N-OG1 2.9Å; S78-T81 WeakPolarHBondContact O-CA 2.91Å; S78-T81 WeakPolarHBondContact O-CB 3.04Å; S78-T81 PolarHBondContact O-N 2.85Å; S78-T81 PolarHBondContact O-OG1 2.97Å
82T84.6Confident78.5Confident81 Ų8184.7 Ų84.750%0.49748%0.481SS..Hα-helixtrans-74-34.6176.154.90000111.9L77 S78 P79L77-T82 HydrophobicContact CB-CG2 4.11Å; S78-T82 PolarHBondContact O-N 2.98Å; P79-T82 WeakPolarHBondContact CA-OG1 3.5Å; P79-T82 PolarHBondContact O-OG1 2.86Å
83H84Confident80.5Confident69 Ų6979 Ų7932%0.31946%0.457SS..THydrogen-bonded Turntrans-114.857.6176.7-5682.2000111.4P79 C80 Q85 R86P79-H83 WeakPolarHBondContact O-CB 3.03Å; P79-H83 PolarHBondContact O-N 3.07Å; P79-H83 PolarHBondContact O-ND1 2.8Å; C80-H83 CarbonylContact O-C 3.51Å; H83-Q85 PolarHBondContact O-N 2.99Å; H83-Q85 VanDerWaalsContact O-N 3.14Å; H83-R86 HydrophobicContact CB-CB 4.38Å; H83-R86 HydrophobicContact CB-CG 4.28Å; H83-R86 WeakPolarHBondContact O-CB 3.26Å; H83-R86 PolarHBondContact O-N 1.98Å
84S87.8Confident82.9Confident81 Ų8172.1 Ų72.157%0.56642%0.421SS*.G310 helixtrans-56-31.6-175.860.70000114.2C80 R86 H87C80-S84 WeakPolarHBondContact O-CA 3.28Å; C80-S84 PolarHBondContact O-N 3.44Å; S84-R86 PolarHBondContact O-N 3.32Å; S84-H87 VanDerWaalsContact O-CB 3.23Å; S84-H87 WeakPolarHBondContact O-CB 3.44Å; S84-H87 PolarHBondContact O-N 2.77Å; S84-H87 VanDerWaalsContact O-N 3.09Å
85Q90.3Very high85.2Confident136 Ų13670.2 Ų70.264%0.63641%0.411SS*.G310 helixtrans-61.9-23.1174.571.1-76.77.300113.7H83H83-Q85 PolarHBondContact O-N 2.99Å; H83-Q85 VanDerWaalsContact O-N 3.14Å
86R90.4Very high87.5Confident77 Ų7767.8 Ų67.829%0.29139%0.385SS..G310 helixtrans-91.5-8.7178.2-63.2-178.1176-175-6.3112.8H83 S84 A88 F89 A90 C123 C125H83-R86 HydrophobicContact CB-CB 4.38Å; H83-R86 HydrophobicContact CB-CG 4.28Å; H83-R86 WeakPolarHBondContact O-CB 3.26Å; H83-R86 PolarHBondContact O-N 1.98Å; S84-R86 PolarHBondContact O-N 3.32Å; R86-A88 PolarHBondContact O-N 3.26Å; R86-F89 PolarHBondContact O-N 3.18Å; R86-A90 PolarHBondContact O-N 2.96Å; R86-C123 VanDerWaalsContact CD-O 3.25Å; R86-C123 WeakPolarHBondContact CD-O 3.48Å; R86-C123 PolarHBondContact NH1-O 3.28Å; R86-C123 VanDerWaalsContact NH1-O 3.09Å; R86-C125 PolarHBondContact NH1-O 3.26Å
87H92.1Very high89.5Confident67 Ų6761.1 Ų61.131%0.3135%0.351SS..Hα-helixtrans-62.1-49.3-171.8-170.3-169.3000112.3S84 F89 A90 E91S84-H87 VanDerWaalsContact O-CB 3.23Å; S84-H87 WeakPolarHBondContact O-CB 3.44Å; S84-H87 PolarHBondContact O-N 2.77Å; S84-H87 VanDerWaalsContact O-N 3.09Å; H87-F89 VanDerWaalsContact C-N 3.27Å; H87-F89 PolarHBondContact O-N 3.1Å; H87-A90 WeakPolarHBondContact O-CA 3.06Å; H87-A90 WeakPolarHBondContact O-CB 3.47Å; H87-A90 PolarHBondContact O-N 3.19Å; H87-E91 IonicContact CE1-OE1 3.96Å; H87-E91 IonicContact NE2-OE1 3.65Å; H87-E91 PolarHBondContact O-N 3.42Å
88A94.1Very high91.1Very high70 Ų7059 Ų5958%0.57934%0.337SS*.Hα-helixtrans-60.6-36.317900000112.8R86 A92R86-A88 PolarHBondContact O-N 3.26Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.45Å; A88-A92 VanDerWaalsContact O-N 3.12Å
89F93.8Very high92.2Very high140 Ų14058.2 Ų58.261%0.61433%0.332SS*.Hα-helixtrans-67.2-42.9173.7173.5-96.7000111.5R86 H87 A92 A93 V122R86-F89 PolarHBondContact O-N 3.18Å; H87-F89 VanDerWaalsContact C-N 3.27Å; H87-F89 PolarHBondContact O-N 3.1Å; F89-A92 PolarHBondContact O-N 3.09Å; F89-A93 WeakPolarHBondContact O-CB 3.44Å; F89-A93 PolarHBondContact O-N 2.92Å; F89-V122 HydrophobicContact CD1-CG1 3.77Å; F89-V122 HydrophobicContact CE1-CG1 3.7Å
90A94.9Very high92.9Very high0 Ų060.8 Ų60.80%035%0.351CS..Hα-helixtrans-62.3-44.2176.700000111.9R86 H87 A92 A93 C94 L119 V122 C123R86-A90 PolarHBondContact O-N 2.96Å; H87-A90 WeakPolarHBondContact O-CA 3.06Å; H87-A90 WeakPolarHBondContact O-CB 3.47Å; H87-A90 PolarHBondContact O-N 3.19Å; A90-A92 PolarHBondContact O-N 2.86Å; A90-A93 PolarHBondContact O-N 2Å; A90-C94 WeakPolarHBondContact O-CB 3.12Å; A90-C94 PolarHBondContact O-N 3.08Å; A90-C94 PolarHBondContact O-SG 3.38Å; A90-L119 HydrophobicContact CB-CD2 3.85Å; A90-V122 HydrophobicContact CB-CB 3.89Å; A90-V122 HydrophobicContact CB-CG1 3.77Å; A90-C123 WeakPolarHBondContact CB-SG 3.22Å
91E95.8Very high93.4Very high88 Ų8863.1 Ų63.141%0.41137%0.365SS..Hα-helixtrans-58-48.1174.8-71.1-178.4137.400111.2H87 A93 C94 A95 L119H87-E91 IonicContact CE1-OE1 3.96Å; H87-E91 IonicContact NE2-OE1 3.65Å; H87-E91 PolarHBondContact O-N 3.42Å; E91-A93 PolarHBondContact O-N 2.68Å; E91-C94 PolarHBondContact O-N 3.04Å; E91-A95 WeakPolarHBondContact O-CB 2.79Å; E91-A95 PolarHBondContact O-N 3.42Å; E91-L119 HydrophobicContact CG-CD2 4.01Å
92A96.3Very high93.9Very high74 Ų7459.2 Ų59.261%0.61234%0.341SS*.Hα-helixtrans-62.3-42.7178.100000112.6A88 F89 A90A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.45Å; A88-A92 VanDerWaalsContact O-N 3.12Å; F89-A92 PolarHBondContact O-N 3.09Å; A90-A92 PolarHBondContact O-N 2.86Å
93A95.1Very high94.4Very high21 Ų2160 Ų6017%0.17434%0.339CS..Hα-helixtrans-67.3-39.7178.500000112.3F89 A90 E91 L132F89-A93 WeakPolarHBondContact O-CB 3.44Å; F89-A93 PolarHBondContact O-N 2.92Å; A90-A93 PolarHBondContact O-N 2Å; E91-A93 PolarHBondContact O-N 2.68Å; A93-L132 HydrophobicContact CB-CD1 4.34Å; A93-L132 HydrophobicContact CB-CD2 4.23Å
94C97.3Very high94.9Very high0 Ų061.7 Ų61.70%035%0.347CS..Hα-helixtrans-82.6-15.1-177.4-63.20000113.5A90 E91 I96 L97 Y115 C118 L119A90-C94 WeakPolarHBondContact O-CB 3.12Å; A90-C94 PolarHBondContact O-N 3.08Å; A90-C94 PolarHBondContact O-SG 3.38Å; E91-C94 PolarHBondContact O-N 3.04Å; C94-I96 PolarHBondContact O-N 3.32Å; C94-L97 WeakPolarHBondContact O-CB 3.43Å; C94-L97 PolarHBondContact O-N 2.89Å; C94-Y115 HydrophobicContact CB-CD2 3.82Å; C94-Y115 HydrophobicContact CB-CE2 3.63Å; C94-C118 WeakPolarHBondContact CA-SG 3.15Å; C94-C118 HydrophobicContact CB-CB 3.75Å; C94-C118 WeakPolarHBondContact CB-SG 3.34Å; C94-C118 WeakPolarHBondContact SG-CB 2.86Å; C94-C118 CovalentContact SG-SG 2.03Å; C94-C118 PolarHBondContact SG-SG 2.89Å; C94-L119 HydrophobicContact CB-CD2 4.36Å
95A97.4Very high95.3Very high47 Ų4757.9 Ų57.939%0.38832%0.321SS..G310 helixtrans-56.1-22.7-179.400000114E91 L97 H98 S99E91-A95 WeakPolarHBondContact O-CB 2.79Å; E91-A95 PolarHBondContact O-N 3.42Å; A95-L97 PolarHBondContact O-N 2.91Å; A95-H98 PolarHBondContact O-N 3.04Å; A95-S99 PolarHBondContact O-N 3.34Å
96I97.5Very high95.6Very high31 Ų3153.3 Ų53.316%0.15930%0.299CS..G310 helixtrans-57.7-32.5174.2-171174.2000112.5C94 H98 S99 F102 L136 L157C94-I96 PolarHBondContact O-N 3.32Å; I96-H98 PolarHBondContact O-N 3.46Å; I96-S99 VanDerWaalsContact O-CB 3.3Å; I96-S99 WeakPolarHBondContact O-CB 2.94Å; I96-S99 PolarHBondContact O-N 3.06Å; I96-S99 PolarHBondContact O-OG 2.04Å; I96-F102 HydrophobicContact CD1-CE2 4.48Å; I96-F102 HydrophobicContact CG1-CD2 4.49Å; I96-F102 HydrophobicContact CG1-CE2 4.18Å; I96-F102 WeakPolarHBondContact O-CD2 3.3Å; I96-L136 HydrophobicContact CG2-CD1 3.82Å; I96-L136 HydrophobicContact CG2-CD2 3.49Å; I96-L136 VanDerWaalsContact CG2-CD2 3.49Å; I96-L136 HydrophobicContact CG2-CG 4.32Å; I96-L157 HydrophobicContact CD1-CD2 3.25Å
97L97.4Very high95.9Very high0 Ų058.1 Ų58.10%032%0.317CS..G310 helixtrans-61.6-27.1177.3-69.6170.7000112.2C94 A95 H106 F114 Y115 C118 L136 Y139C94-L97 WeakPolarHBondContact O-CB 3.43Å; C94-L97 PolarHBondContact O-N 2.89Å; A95-L97 PolarHBondContact O-N 2.91Å; L97-H106 PolarHBondContact O-NE2 3.21Å; L97-F114 HydrophobicContact CD1-CB 4.3Å; L97-Y115 HydrophobicContact CD1-CD2 4.47Å; L97-C118 HydrophobicContact CD1-CB 3.84Å; L97-L136 HydrophobicContact CD1-CD2 4.28Å; L97-L136 HydrophobicContact CD2-CD2 3.65Å; L97-L136 HydrophobicContact CG-CD2 3.71Å; L97-Y139 HydrophobicContact CD2-CD1 3.41Å; L97-Y139 VanDerWaalsContact CD2-CD1 3.41Å; L97-Y139 HydrophobicContact CD2-CE1 4.19Å; L97-Y139 HydrophobicContact CD2-CG 3.76Å
98H97.2Very high96.1Very high72 Ų7258.8 Ų58.833%0.33332%0.323SS..G310 helixtrans-95.1-5.6174.4-67.599.4000113.8A95 I96 K111 E112 Y115A95-H98 PolarHBondContact O-N 3.04Å; I96-H98 PolarHBondContact O-N 3.46Å; H98-K111 WeakPolarHBondContact CD2-CE 3.24Å; H98-E112 IonicContact CD2-OE1 3.92Å; H98-E112 IonicContact CE1-OE1 3.59Å; H98-E112 IonicContact CE1-OE2 3.46Å; H98-E112 IonicContact NE2-OE1 3.66Å; H98-E112 PolarHBondContact NE2-OE1 3.04Å; H98-E112 IonicContact NE2-OE2 3.12Å; H98-Y115 AromaticContact CE1-CD1 3.81Å; H98-Y115 AromaticContact CE1-CD2 3.37Å; H98-Y115 WeakPolarHBondContact CE1-CD2 3.42Å; H98-Y115 AromaticContact CE1-CE2 3.8Å; H98-Y115 AromaticContact CE1-CG 3.38Å; H98-Y115 AromaticContact ND1-CD2 3.47Å; H98-Y115 WeakPolarHBondContact ND1-CD2 3.14Å; H98-Y115 AromaticContact ND1-CE2 3.71Å; H98-Y115 AromaticContact ND1-CG 3.98Å
99S96.6Very high96.2Very high35 Ų3556.2 Ų56.225%0.24530%0.299CS..SBendtrans-72.8163.3-177.9770000112.6A95 I96 V101 F102 H106A95-S99 PolarHBondContact O-N 3.34Å; I96-S99 VanDerWaalsContact O-CB 3.3Å; I96-S99 WeakPolarHBondContact O-CB 2.94Å; I96-S99 PolarHBondContact O-N 3.06Å; I96-S99 PolarHBondContact O-OG 2.04Å; S99-V101 PolarHBondContact O-N 2.95Å; S99-V101 VanDerWaalsContact O-N 3.1Å; S99-V101 PolarHBondContact OG-N 3.46Å; S99-F102 PolarHBondContact O-N 3.46Å; S99-H106 PolarHBondContact O-CE1 2.76Å; S99-H106 VanDerWaalsContact O-CE1 3.26Å
100S96.1Very high96.2Very high97 Ų9754.2 Ų54.268%0.67830%0.295SS*.G310 helixtrans-63.1-14.6176.758.30000114.1F102 Q103S100-F102 PolarHBondContact O-N 3.49Å; S100-Q103 WeakPolarHBondContact O-CB 3.35Å; S100-Q103 PolarHBondContact O-N 2.95Å; S100-Q103 VanDerWaalsContact O-N 3.12Å
101V96.3Very high96.3Very high58 Ų5856.6 Ų56.635%0.35231%0.306SS..G310 helixtrans-57.6-38.4174.2175.60000110.6S99 P150 W152S99-V101 PolarHBondContact O-N 2.95Å; S99-V101 VanDerWaalsContact O-N 3.1Å; S99-V101 PolarHBondContact OG-N 3.46Å; V101-P150 HydrophobicContact CG1-CB 4.38Å; V101-P150 WeakPolarHBondContact O-CB 3.37Å; V101-W152 HydrophobicContact CG1-CB 3.61Å
102F96.8Very high96.3Very high0 Ų056.1 Ų56.10%030%0.303CS..G310 helixtrans-9713.7179.4-73-78.6000113.5I96 S99 S100 E104 C105 H106 Y139 A140 P150 W152I96-F102 HydrophobicContact CD1-CE2 4.48Å; I96-F102 HydrophobicContact CG1-CD2 4.49Å; I96-F102 HydrophobicContact CG1-CE2 4.18Å; I96-F102 WeakPolarHBondContact O-CD2 3.3Å; S99-F102 PolarHBondContact O-N 3.46Å; S100-F102 PolarHBondContact O-N 3.49Å; F102-E104 VanDerWaalsContact C-N 3.27Å; F102-E104 PolarHBondContact O-N 3.23Å; F102-E104 VanDerWaalsContact O-N 3.13Å; F102-C105 HydrophobicContact CB-CB 4.47Å; F102-C105 HydrophobicContact CD1-CB 4.33Å; F102-C105 CarbonylContact O-C 3.56Å; F102-C105 WeakPolarHBondContact O-CA 3.47Å; F102-C105 WeakPolarHBondContact O-CB 3.41Å; F102-C105 PolarHBondContact O-N 3.03Å; F102-H106 WeakPolarHBondContact CB-NE2 3.39Å; F102-H106 PolarHBondContact O-CD2 3.04Å; F102-H106 PolarHBondContact O-N 2.72Å; F102-Y139 HydrophobicContact CB-CE1 3.92Å; F102-Y139 AromaticContact CD1-CD1 3.67Å; F102-Y139 HydrophobicContact CD1-CD1 3.67Å; F102-Y139 AromaticContact CD1-CE1 3.6Å; F102-Y139 HydrophobicContact CD1-CE1 3.6Å; F102-Y139 HydrophobicContact CD2-CD1 4.45Å; F102-Y139 HydrophobicContact CD2-CE1 4.43Å; F102-Y139 AromaticContact CE1-CD1 3.78Å; F102-Y139 HydrophobicContact CE1-CD1 3.78Å; F102-Y139 HydrophobicContact CE1-CE1 4.2Å; F102-Y139 HydrophobicContact CG-CD1 4.03Å; F102-Y139 AromaticContact CG-CE1 3.73Å; F102-Y139 HydrophobicContact CG-CE1 3.73Å; F102-Y139 HydrophobicContact CZ-CD1 4.21Å; F102-A140 HydrophobicContact CE1-CB 3.88Å; F102-A140 HydrophobicContact CZ-CB 4.21Å; F102-P150 HydrophobicContact CD1-CG 3.52Å; F102-P150 HydrophobicContact CE1-CG 3.66Å; F102-P150 HydrophobicContact CG-CG 4.38Å; F102-W152 HydrophobicContact CE1-CB 4.29Å; F102-W152 HydrophobicContact CE1-CG 4.25Å; F102-W152 HydrophobicContact CE2-CB 3.84Å; F102-W152 HydrophobicContact CE2-CG 4.27Å; F102-W152 HydrophobicContact CZ-CB 3.54Å; F102-W152 AromaticContact CZ-CD1 3.92Å; F102-W152 HydrophobicContact CZ-CD2 4.09Å; F102-W152 AromaticContact CZ-CG 3.55Å; F102-W152 HydrophobicContact CZ-CG 3.55Å
103Q95.4Very high96.2Very high97 Ų9755.6 Ų55.645%0.45329%0.294SS..THydrogen-bonded Turntrans-52.6-41.9-173-174.465.842.600113.6S100 H106S100-Q103 WeakPolarHBondContact O-CB 3.35Å; S100-Q103 PolarHBondContact O-N 2.95Å; S100-Q103 VanDerWaalsContact O-N 3.12Å; Q103-H106 PolarHBondContact O-N 3.48Å
104E94.3Very high96.3Very high105 Ų10556.4 Ų56.449%0.49129%0.294SS..THydrogen-bonded Turntrans-70-37.8178.9-166.555.8-14800111.4F102 H106 R107 A148F102-E104 VanDerWaalsContact C-N 3.27Å; F102-E104 PolarHBondContact O-N 3.23Å; F102-E104 VanDerWaalsContact O-N 3.13Å; E104-H106 VanDerWaalsContact C-N 3.35Å; E104-H106 PolarHBondContact O-N 2.67Å; E104-R107 PolarHBondContact O-N 3.03Å; E104-R107 IonicContact OE1-NH1 3.88Å; E104-R107 IonicContact OE2-NH1 3.09Å; E104-R107 PolarHBondContact OE2-NH1 2.99Å; E104-R107 VanDerWaalsContact OE2-NH1 3.09Å; E104-A148 HydrophobicContact CB-CB 4.41Å; E104-A148 HydrophobicContact CG-CB 4.17Å
105C96.9Very high96.3Very high1 Ų158.2 Ų58.21%0.00730%0.3CS..G310 helixtrans-68.7-31.5176.1-177.30000113.1F102 R107 L108 V109 Y139 C143 A148F102-C105 HydrophobicContact CB-CB 4.47Å; F102-C105 HydrophobicContact CD1-CB 4.33Å; F102-C105 CarbonylContact O-C 3.56Å; F102-C105 WeakPolarHBondContact O-CA 3.47Å; F102-C105 WeakPolarHBondContact O-CB 3.41Å; F102-C105 PolarHBondContact O-N 3.03Å; C105-R107 PolarHBondContact O-N 3.24Å; C105-L108 PolarHBondContact O-N 3.31Å; C105-V109 PolarHBondContact O-N 3.09Å; C105-Y139 VanDerWaalsContact SG-CZ 3.56Å; C105-Y139 PolarHBondContact SG-OH 2.02Å; C105-C143 HydrophobicContact CB-CB 3.55Å; C105-C143 WeakPolarHBondContact CB-SG 3.03Å; C105-C143 VanDerWaalsContact SG-CA 3.52Å; C105-C143 WeakPolarHBondContact SG-CB 3.04Å; C105-C143 CovalentContact SG-SG 2Å; C105-C143 PolarHBondContact SG-SG 2.91Å; C105-A148 HydrophobicContact CB-CB 4.4Å
106H96.9Very high96.1Very high39 Ų3961.3 Ų61.318%0.18131%0.31CS..G310 helixtrans-57.5-22.6178.7-64.6171.4000113.3L97 S99 F102 Q103 E104 Y139L97-H106 PolarHBondContact O-NE2 3.21Å; S99-H106 PolarHBondContact O-CE1 2.76Å; S99-H106 VanDerWaalsContact O-CE1 3.26Å; F102-H106 WeakPolarHBondContact CB-NE2 3.39Å; F102-H106 PolarHBondContact O-CD2 3.04Å; F102-H106 PolarHBondContact O-N 2.72Å; Q103-H106 PolarHBondContact O-N 3.48Å; E104-H106 VanDerWaalsContact C-N 3.35Å; E104-H106 PolarHBondContact O-N 2.67Å; H106-Y139 PolarHBondContact CD2-OH 3.36Å
107R95.4Very high96Very high179 Ų17968.3 Ų68.368%0.67533%0.334SS*.G310 helixtrans-81.5-20.8175.3-64.5179.6175.1146.2-3.2113.6E104 C105E104-R107 PolarHBondContact O-N 3.03Å; E104-R107 IonicContact OE1-NH1 3.88Å; E104-R107 IonicContact OE2-NH1 3.09Å; E104-R107 PolarHBondContact OE2-NH1 2.99Å; E104-R107 VanDerWaalsContact OE2-NH1 3.09Å; C105-R107 PolarHBondContact O-N 3.24Å
108L96.2Very high95.9Very high81 Ų8168.3 Ų68.342%0.42433%0.334SS..THydrogen-bonded Turntrans-106.6-35.8-171.5-57174.9000112C105 E146 A148C105-L108 PolarHBondContact O-N 3.31Å; L108-E146 HydrophobicContact CB-CB 3.94Å; L108-E146 HydrophobicContact CB-CG 4.36Å; L108-E146 HydrophobicContact CD1-CB 3.9Å; L108-E146 HydrophobicContact CG-CB 4.43Å; L108-A148 HydrophobicContact CD1-CB 3.63Å
109V96.1Very high95.8Very high15 Ų1565.7 Ų65.79%0.09132%0.323CS..SBendtrans-134.2125-172.1-171.80000109.8C105 K111 F114 Y139 R142 E146C105-V109 PolarHBondContact O-N 3.09Å; V109-K111 PolarHBondContact O-N 3.02Å; V109-F114 HydrophobicContact CG1-CE2 3.93Å; V109-Y139 HydrophobicContact CB-CE2 3.97Å; V109-Y139 HydrophobicContact CG1-CD2 4.24Å; V109-Y139 HydrophobicContact CG1-CE2 3.72Å; V109-Y139 PolarHBondContact O-OH 3.34Å; V109-Y139 VanDerWaalsContact O-OH 3.09Å; V109-R142 HydrophobicContact CB-CG 4.39Å; V109-R142 HydrophobicContact CG1-CB 4.39Å; V109-R142 HydrophobicContact CG1-CG 3.59Å; V109-R142 HydrophobicContact CG2-CG 3.82Å; V109-E146 HydrophobicContact CG2-CG 3.83Å
110D94.9Very high95.6Very high99 Ų9965.6 Ų65.653%0.52932%0.324SS..  trans-62.7125.4173.2-175.414.5000110.8E112 P113 F114D110-E112 PolarHBondContact OD1-N 2.81Å; D110-E112 VanDerWaalsContact OD1-N 3.16Å; D110-P113 WeakPolarHBondContact OD2-CD 3.3Å; D110-F114 WeakPolarHBondContact O-CD2 3.35Å
111K96.1Very high95.5Very high49 Ų4962.4 Ų62.421%0.21330%0.303CS..SBendtrans-88-23.9-175.264.1-169173.5-68.20113H98 V109 F114 Y115 Y139H98-K111 WeakPolarHBondContact CD2-CE 3.24Å; V109-K111 PolarHBondContact O-N 3.02Å; K111-F114 WeakPolarHBondContact O-CB 3.35Å; K111-F114 PolarHBondContact O-N 2.83Å; K111-Y115 PolarHBondContact O-N 3.26Å; K111-Y139 HydrophobicContact CB-CE1 4.48Å; K111-Y139 HydrophobicContact CB-CE2 4.16Å
112E96.1Very high95.4Very high78 Ų7860.1 Ų60.136%0.36429%0.29SS..Hα-helixtrans-61.2-41-173.3-62.3-51.7142.700113.3H98 D110 F114 Y115 L116H98-E112 IonicContact CD2-OE1 3.92Å; H98-E112 IonicContact CE1-OE1 3.59Å; H98-E112 IonicContact CE1-OE2 3.46Å; H98-E112 IonicContact NE2-OE1 3.66Å; H98-E112 PolarHBondContact NE2-OE1 3.04Å; H98-E112 IonicContact NE2-OE2 3.12Å; D110-E112 PolarHBondContact OD1-N 2.81Å; D110-E112 VanDerWaalsContact OD1-N 3.16Å; E112-F114 VanDerWaalsContact C-N 3.26Å; E112-F114 PolarHBondContact O-N 3.14Å; E112-Y115 PolarHBondContact O-N 3.16Å; E112-L116 WeakPolarHBondContact O-CG 3.37Å; E112-L116 PolarHBondContact O-N 3.32Å
113P94.5Very high95.3Very high63 Ų6360.1 Ų60.141%0.40929%0.29SS..Hα-helixtrans-61.2-34.4174.4-24.635.2000113.3D110 R117D110-P113 WeakPolarHBondContact OD2-CD 3.3Å; P113-R117 WeakPolarHBondContact O-CG 3.38Å; P113-R117 PolarHBondContact O-N 3.08Å
114F96.6Very high95.1Very high39 Ų3957.3 Ų57.317%0.17129%0.286CS..Hα-helixtrans-75.7-37177.5-67.2-94.1000111.5L97 V109 D110 K111 E112 R117 C118 A138 Y139 R142L97-F114 HydrophobicContact CD1-CB 4.3Å; V109-F114 HydrophobicContact CG1-CE2 3.93Å; D110-F114 WeakPolarHBondContact O-CD2 3.35Å; K111-F114 WeakPolarHBondContact O-CB 3.35Å; K111-F114 PolarHBondContact O-N 2.83Å; E112-F114 VanDerWaalsContact C-N 3.26Å; E112-F114 PolarHBondContact O-N 3.14Å; F114-R117 PolarHBondContact O-N 3.09Å; F114-C118 WeakPolarHBondContact O-CB 3.36Å; F114-C118 PolarHBondContact O-N 3.2Å; F114-A138 HydrophobicContact CE1-CB 4.25Å; F114-Y139 HydrophobicContact CB-CD2 4.05Å; F114-Y139 HydrophobicContact CB-CG 4.32Å; F114-Y139 AromaticContact CD1-CD2 3.92Å; F114-Y139 HydrophobicContact CD1-CD2 3.92Å; F114-Y139 HydrophobicContact CD1-CG 4.24Å; F114-Y139 AromaticContact CD2-CD2 3.42Å; F114-Y139 HydrophobicContact CD2-CD2 3.42Å; F114-Y139 VanDerWaalsContact CD2-CD2 3.42Å; F114-Y139 AromaticContact CD2-CE2 3.93Å; F114-Y139 HydrophobicContact CD2-CE2 3.93Å; F114-Y139 HydrophobicContact CD2-CG 4.4Å; F114-Y139 HydrophobicContact CE1-CD2 4.18Å; F114-Y139 AromaticContact CE2-CD2 3.73Å; F114-Y139 HydrophobicContact CE2-CD2 3.73Å; F114-Y139 HydrophobicContact CE2-CE2 4.24Å; F114-Y139 AromaticContact CG-CD2 3.52Å; F114-Y139 HydrophobicContact CG-CD2 3.52Å; F114-Y139 HydrophobicContact CG-CE2 4.38Å; F114-Y139 HydrophobicContact CG-CG 4.07Å; F114-Y139 HydrophobicContact CZ-CD2 4.09Å; F114-R142 HydrophobicContact CZ-CB 4.19Å; F114-R142 HydrophobicContact CZ-CG 4.37Å
115Y96.9Very high95Very high37 Ų3753.3 Ų53.315%0.14527%0.27CS..Hα-helixtrans-63.4-46.6175.6-178.2-106000111.8C94 L97 H98 K111 E112 R117 C118 L119C94-Y115 HydrophobicContact CB-CD2 3.82Å; C94-Y115 HydrophobicContact CB-CE2 3.63Å; L97-Y115 HydrophobicContact CD1-CD2 4.47Å; H98-Y115 AromaticContact CE1-CD1 3.81Å; H98-Y115 AromaticContact CE1-CD2 3.37Å; H98-Y115 WeakPolarHBondContact CE1-CD2 3.42Å; H98-Y115 AromaticContact CE1-CE2 3.8Å; H98-Y115 AromaticContact CE1-CG 3.38Å; H98-Y115 AromaticContact ND1-CD2 3.47Å; H98-Y115 WeakPolarHBondContact ND1-CD2 3.14Å; H98-Y115 AromaticContact ND1-CE2 3.71Å; H98-Y115 AromaticContact ND1-CG 3.98Å; K111-Y115 PolarHBondContact O-N 3.26Å; E112-Y115 PolarHBondContact O-N 3.16Å; Y115-R117 VanDerWaalsContact C-N 3.33Å; Y115-R117 PolarHBondContact O-N 3.46Å; Y115-C118 WeakPolarHBondContact O-CA 3.46Å; Y115-C118 VanDerWaalsContact O-CB 3.31Å; Y115-C118 WeakPolarHBondContact O-CB 3.49Å; Y115-C118 PolarHBondContact O-N 3.02Å; Y115-L119 HydrophobicContact CD1-CD1 4.09Å; Y115-L119 HydrophobicContact CD1-CG 4.44Å; Y115-L119 HydrophobicContact CE1-CD1 3.56Å; Y115-L119 HydrophobicContact CE1-CG 4.08Å; Y115-L119 PolarHBondContact O-N 2.88Å
116L94.4Very high94.6Very high112 Ų11258.6 Ų58.659%0.58630%0.298SS*.Hα-helixtrans-62.1-39.8175.9-67.1176000112.2E112 C118 L119 A120E112-L116 WeakPolarHBondContact O-CG 3.37Å; E112-L116 PolarHBondContact O-N 3.32Å; L116-C118 VanDerWaalsContact C-N 3.32Å; L116-L119 PolarHBondContact O-N 2.91Å; L116-A120 PolarHBondContact O-N 3.32Å
117R94.6Very high94Very high179 Ų17962.2 Ų62.268%0.67533%0.325SS*.Hα-helixtrans-63.4-38.6172.3-77178.2-171.6-119.83.1112P113 F114 Y115 A120 A121 V135P113-R117 WeakPolarHBondContact O-CG 3.38Å; P113-R117 PolarHBondContact O-N 3.08Å; F114-R117 PolarHBondContact O-N 3.09Å; Y115-R117 VanDerWaalsContact C-N 3.33Å; Y115-R117 PolarHBondContact O-N 3.46Å; R117-A120 PolarHBondContact O-N 2.72Å; R117-A121 VanDerWaalsContact O-CB 3.25Å; R117-A121 WeakPolarHBondContact O-CB 3.47Å; R117-A121 PolarHBondContact O-N 2.59Å; R117-V135 HydrophobicContact CB-CG1 4.35Å
118C96.6Very high93.4Very high0 Ų058 Ų580%034%0.338CS..Hα-helixtrans-63-48.5177.4-175.20000110.9C94 L97 F114 Y115 L116 A120 A121 V122 L132 V135C94-C118 WeakPolarHBondContact CA-SG 3.15Å; C94-C118 HydrophobicContact CB-CB 3.75Å; C94-C118 WeakPolarHBondContact CB-SG 3.34Å; C94-C118 WeakPolarHBondContact SG-CB 2.86Å; C94-C118 CovalentContact SG-SG 2.03Å; C94-C118 PolarHBondContact SG-SG 2.89Å; L97-C118 HydrophobicContact CD1-CB 3.84Å; F114-C118 WeakPolarHBondContact O-CB 3.36Å; F114-C118 PolarHBondContact O-N 3.2Å; Y115-C118 WeakPolarHBondContact O-CA 3.46Å; Y115-C118 VanDerWaalsContact O-CB 3.31Å; Y115-C118 WeakPolarHBondContact O-CB 3.49Å; Y115-C118 PolarHBondContact O-N 3.02Å; L116-C118 VanDerWaalsContact C-N 3.32Å; C118-A120 PolarHBondContact O-N 3.25Å; C118-A121 PolarHBondContact O-N 3.23Å; C118-V122 WeakPolarHBondContact O-CB 3.48Å; C118-V122 WeakPolarHBondContact O-CG2 2.97Å; C118-V122 PolarHBondContact O-N 3.43Å; C118-L132 WeakPolarHBondContact SG-CD1 2.99Å; C118-V135 HydrophobicContact CB-CB 4.44Å; C118-V135 HydrophobicContact CB-CG1 3.81Å
119L94.9Very high93Very high17 Ų1757.4 Ų57.49%0.08934%0.34CS..Hα-helixtrans-56.6-50.9176.3-70.1-179000111.3C80 A90 E91 C94 Y115 L116 A121 V122 C123C80-L119 VanDerWaalsContact SG-C 3.54Å; C80-L119 PolarHBondContact SG-O 3.19Å; A90-L119 HydrophobicContact CB-CD2 3.85Å; E91-L119 HydrophobicContact CG-CD2 4.01Å; C94-L119 HydrophobicContact CB-CD2 4.36Å; Y115-L119 HydrophobicContact CD1-CD1 4.09Å; Y115-L119 HydrophobicContact CD1-CG 4.44Å; Y115-L119 HydrophobicContact CE1-CD1 3.56Å; Y115-L119 HydrophobicContact CE1-CG 4.08Å; Y115-L119 PolarHBondContact O-N 2.88Å; L116-L119 PolarHBondContact O-N 2.91Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 2.98Å; L119-V122 PolarHBondContact O-N 2.83Å; L119-C123 VanDerWaalsContact O-CB 3.29Å; L119-C123 WeakPolarHBondContact O-CB 3.39Å; L119-C123 PolarHBondContact O-N 3.11Å; L119-C123 PolarHBondContact O-SG 3.48Å
120A92.6Very high92.8Very high33 Ų3361.3 Ų61.327%0.27336%0.36SS..Hα-helixtrans-58.2-44.7178.300000112.3P79 L116 R117 C118 G124P79-A120 WeakPolarHBondContact CB-O 3.29Å; P79-A120 HydrophobicContact CG-CB 4.17Å; L116-A120 PolarHBondContact O-N 3.32Å; R117-A120 PolarHBondContact O-N 2.72Å; C118-A120 PolarHBondContact O-N 3.25Å; A120-G124 PolarHBondContact O-N 3.3Å; A120-G124 VanDerWaalsContact O-N 3.11Å
121A93.1Very high92.7Very high29 Ų2958 Ų5824%0.2435%0.345CS..Hα-helixtrans-65.8-45.1179.900000112.5R117 C118 L119 C125 C131 V135R117-A121 VanDerWaalsContact O-CB 3.25Å; R117-A121 WeakPolarHBondContact O-CB 3.47Å; R117-A121 PolarHBondContact O-N 2.59Å; C118-A121 PolarHBondContact O-N 3.23Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 2.98Å; A121-C125 WeakPolarHBondContact O-CA 3.19Å; A121-C125 WeakPolarHBondContact O-CB 3.39Å; A121-C125 PolarHBondContact O-N 3.17Å; A121-C125 VanDerWaalsContact O-N 3.12Å; A121-C131 HydrophobicContact CB-CB 4.32Å; A121-C131 WeakPolarHBondContact O-CB 3.39Å; A121-V135 HydrophobicContact CB-CG2 3.94Å
122V94.5Very high92.7Very high11 Ų1157.3 Ų57.37%0.06734%0.343CS..Hα-helixtrans-73.7-41.9-177177.50000111.5F89 A90 C118 L119 C125 L132F89-V122 HydrophobicContact CD1-CG1 3.77Å; F89-V122 HydrophobicContact CE1-CG1 3.7Å; A90-V122 HydrophobicContact CB-CB 3.89Å; A90-V122 HydrophobicContact CB-CG1 3.77Å; C118-V122 WeakPolarHBondContact O-CB 3.48Å; C118-V122 WeakPolarHBondContact O-CG2 2.97Å; C118-V122 PolarHBondContact O-N 3.43Å; L119-V122 PolarHBondContact O-N 2.83Å; V122-C125 VanDerWaalsContact O-CB 3.26Å; V122-C125 WeakPolarHBondContact O-CB 3.45Å; V122-C125 PolarHBondContact O-N 3.03Å; V122-L132 HydrophobicContact CG2-CB 4.27Å; V122-L132 HydrophobicContact CG2-CD1 4.13Å
123C93.9Very high92.7Very high0 Ų054.3 Ų54.30%033%0.33CS..Hα-helixtrans-63.9-42.7177-69.70000112P79 C80 R86 A90 L119 C125P79-C123 HydrophobicContact CB-CB 4.1Å; C80-C123 WeakPolarHBondContact CA-SG 3.24Å; C80-C123 HydrophobicContact CB-CB 3.83Å; C80-C123 WeakPolarHBondContact CB-SG 3.45Å; C80-C123 WeakPolarHBondContact SG-CB 3.4Å; C80-C123 CovalentContact SG-SG 2.04Å; C80-C123 PolarHBondContact SG-SG 3.08Å; R86-C123 VanDerWaalsContact CD-O 3.25Å; R86-C123 WeakPolarHBondContact CD-O 3.48Å; R86-C123 PolarHBondContact NH1-O 3.28Å; R86-C123 VanDerWaalsContact NH1-O 3.09Å; A90-C123 WeakPolarHBondContact CB-SG 3.22Å; L119-C123 VanDerWaalsContact O-CB 3.29Å; L119-C123 WeakPolarHBondContact O-CB 3.39Å; L119-C123 PolarHBondContact O-N 3.11Å; L119-C123 PolarHBondContact O-SG 3.48Å; C123-C125 PolarHBondContact O-N 2.9Å
124G91Very high92.8Very high37 Ų3754.9 Ų54.938%0.38133%0.334SS..THydrogen-bonded Turntrans-81.15.6176.900000114.7A120A120-G124 PolarHBondContact O-N 3.3Å; A120-G124 VanDerWaalsContact O-N 3.11Å
125C92.7Very high92.8Very high21 Ų2153.9 Ų53.914%0.14233%0.331CS..PPolyproline II helixtrans-72.4133.5-172.2-162.60000112.4R86 A121 V122 C123 S129 C131R86-C125 PolarHBondContact NH1-O 3.26Å; A121-C125 WeakPolarHBondContact O-CA 3.19Å; A121-C125 WeakPolarHBondContact O-CB 3.39Å; A121-C125 PolarHBondContact O-N 3.17Å; A121-C125 VanDerWaalsContact O-N 3.12Å; V122-C125 VanDerWaalsContact O-CB 3.26Å; V122-C125 WeakPolarHBondContact O-CB 3.45Å; V122-C125 PolarHBondContact O-N 3.03Å; C123-C125 PolarHBondContact O-N 2.9Å; C125-S129 PolarHBondContact SG-O 2.92Å; C125-S129 VanDerWaalsContact SG-O 3.4Å; C125-C131 WeakPolarHBondContact CA-SG 3.28Å; C125-C131 HydrophobicContact CB-CB 3.62Å; C125-C131 WeakPolarHBondContact CB-SG 3.47Å; C125-C131 WeakPolarHBondContact SG-CB 3.48Å; C125-C131 CovalentContact SG-SG 2.04Å; C125-C131 PolarHBondContact SG-SG 3.38Å
126D89.1Confident92.8Very high113 Ų11352.1 Ų52.160%0.60432%0.324SS*.PPolyproline II helixtrans-72.5144.7171.9-73.8-39.8000111.2G128 S129D126-G128 PolarHBondContact O-N 3.12Å; D126-S129 WeakPolarHBondContact O-CB 3.36Å; D126-S129 PolarHBondContact O-N 3.46Å; D126-S129 VanDerWaalsContact O-N 3.07Å
127P84.5Confident92.9Very high115 Ų11547.6 Ų47.675%0.74730%0.302SS*.THydrogen-bonded Turntrans-55130.8176.2-23.433.4000112S129P127-S129 VanDerWaalsContact C-N 3.28Å; P127-S129 PolarHBondContact O-N 3.35Å
128G81.9Confident92.9Very high91 Ų9141 Ų4194%0.93829%0.286SS*.THydrogen-bonded Turntrans82.2-2.1-179.700000115.1D126D126-G128 PolarHBondContact O-N 3.12Å
129S88.8Confident92.9Very high67 Ų6741 Ų4147%0.46929%0.286SS..  trans-90.2149.6172.8-61.70000111.8C125 D126 P127C125-S129 PolarHBondContact SG-O 2.92Å; C125-S129 VanDerWaalsContact SG-O 3.4Å; D126-S129 WeakPolarHBondContact O-CB 3.36Å; D126-S129 PolarHBondContact O-N 3.46Å; D126-S129 VanDerWaalsContact O-N 3.07Å; P127-S129 VanDerWaalsContact C-N 3.28Å; P127-S129 PolarHBondContact O-N 3.35Å
130D90.3Very high93Very high98 Ų9840.2 Ų40.252%0.52428%0.282SS..  trans-96.596.6172.3178.913.2000110.6L132 C133 P134D130-L132 PolarHBondContact OD1-N 3.46Å; D130-C133 WeakPolarHBondContact OD1-CB 3.41Å; D130-C133 PolarHBondContact OD1-N 3.31Å; D130-C133 PolarHBondContact OD1-SG 3.14Å; D130-C133 VanDerWaalsContact OD1-SG 3.36Å; D130-C133 WeakPolarHBondContact OD2-CB 3.2Å; D130-C133 PolarHBondContact OD2-SG 2.03Å; D130-C133 VanDerWaalsContact OD2-SG 3.34Å; D130-P134 WeakPolarHBondContact O-CD 3.49Å; D130-P134 WeakPolarHBondContact O-CG 3.01Å
131C94.1Very high93.1Very high30 Ų3042.1 Ų42.120%0.20328%0.282CS..  trans-100.6-13.3178.8-49.60000113.2A121 C125A121-C131 HydrophobicContact CB-CB 4.32Å; A121-C131 WeakPolarHBondContact O-CB 3.39Å; C125-C131 WeakPolarHBondContact CA-SG 3.28Å; C125-C131 HydrophobicContact CB-CB 3.62Å; C125-C131 WeakPolarHBondContact CB-SG 3.47Å; C125-C131 WeakPolarHBondContact SG-CB 3.48Å; C125-C131 CovalentContact SG-SG 2.04Å; C125-C131 PolarHBondContact SG-SG 3.38Å
132L95.4Very high93.2Very high33 Ų3345.8 Ų45.817%0.17329%0.289CS..SBendtrans-83.4-53.2-177.7177.164.3000110.9A93 C118 V122 D130 P134 V135 L136 L157A93-L132 HydrophobicContact CB-CD1 4.34Å; A93-L132 HydrophobicContact CB-CD2 4.23Å; C118-L132 WeakPolarHBondContact SG-CD1 2.99Å; V122-L132 HydrophobicContact CG2-CB 4.27Å; V122-L132 HydrophobicContact CG2-CD1 4.13Å; D130-L132 PolarHBondContact OD1-N 3.46Å; L132-P134 VanDerWaalsContact C-CD 3.5Å; L132-V135 PolarHBondContact O-N 2.89Å; L132-V135 VanDerWaalsContact O-N 3.09Å; L132-L136 HydrophobicContact CD1-CD1 4.04Å; L132-L136 HydrophobicContact CD1-CD2 4.3Å; L132-L136 HydrophobicContact CD1-CG 4.02Å; L132-L136 HydrophobicContact CD2-CD1 4.23Å; L132-L136 HydrophobicContact CG-CD1 3.82Å; L132-L136 HydrophobicContact CG-CG 4.15Å; L132-L136 PolarHBondContact O-N 2.98Å; L132-L136 VanDerWaalsContact O-N 3.15Å; L132-L157 HydrophobicContact CD2-CD1 4.2Å
133C96.6Very high93.2Very high15 Ų1545.3 Ų45.310%0.10129%0.286CS..Hα-helixtrans-61.9-37.1-171.5-59.70000113.7D130 V135 L136 S137 C158D130-C133 WeakPolarHBondContact OD1-CB 3.41Å; D130-C133 PolarHBondContact OD1-N 3.31Å; D130-C133 PolarHBondContact OD1-SG 3.14Å; D130-C133 VanDerWaalsContact OD1-SG 3.36Å; D130-C133 WeakPolarHBondContact OD2-CB 3.2Å; D130-C133 PolarHBondContact OD2-SG 2.03Å; D130-C133 VanDerWaalsContact OD2-SG 3.34Å; C133-V135 VanDerWaalsContact C-N 3.27Å; C133-V135 PolarHBondContact O-N 2.85Å; C133-L136 PolarHBondContact O-N 3.29Å; C133-S137 VanDerWaalsContact O-CB 3.28Å; C133-S137 WeakPolarHBondContact O-CB 3.5Å; C133-S137 PolarHBondContact O-N 3.21Å; C133-S137 PolarHBondContact O-OG 2.84Å; C133-C158 WeakPolarHBondContact CA-SG 3.48Å; C133-C158 HydrophobicContact CB-CB 3.66Å; C133-C158 WeakPolarHBondContact CB-SG 3.23Å; C133-C158 WeakPolarHBondContact SG-CA 3.49Å; C133-C158 WeakPolarHBondContact SG-CB 3.16Å; C133-C158 CovalentContact SG-SG 2.02Å; C133-C158 PolarHBondContact SG-SG 3.03Å
134P95.6Very high93.2Very high75 Ų7545.9 Ų45.949%0.48729%0.291SS..Hα-helixtrans-57.9-38.5174.9-27.536.7000113.2D130 L132 A138D130-P134 WeakPolarHBondContact O-CD 3.49Å; D130-P134 WeakPolarHBondContact O-CG 3.01Å; L132-P134 VanDerWaalsContact C-CD 3.5Å; P134-A138 WeakPolarHBondContact O-CB 3.31Å; P134-A138 PolarHBondContact O-N 3.41Å
135V96.6Very high93.3Very high19 Ų1948 Ų4812%0.11529%0.292CS..Hα-helixtrans-71.9-44.9179.3-175.90000111.1R117 C118 A121 L132 C133 S137 A138 Y139R117-V135 HydrophobicContact CB-CG1 4.35Å; C118-V135 HydrophobicContact CB-CB 4.44Å; C118-V135 HydrophobicContact CB-CG1 3.81Å; A121-V135 HydrophobicContact CB-CG2 3.94Å; L132-V135 PolarHBondContact O-N 2.89Å; L132-V135 VanDerWaalsContact O-N 3.09Å; C133-V135 VanDerWaalsContact C-N 3.27Å; C133-V135 PolarHBondContact O-N 2.85Å; V135-S137 VanDerWaalsContact C-N 3.3Å; V135-S137 PolarHBondContact O-N 3.07Å; V135-A138 PolarHBondContact O-N 3.37Å; V135-Y139 PolarHBondContact O-N 3.15Å; V135-Y139 VanDerWaalsContact O-N 3.08Å
136L97.2Very high93.3Very high0 Ų051.1 Ų51.10%030%0.304CS..Hα-helixtrans-61.3-40.9175.6-60.9-174.7000111.7I96 L97 L132 C133 A138 Y139 A140 W152 L157I96-L136 HydrophobicContact CG2-CD1 3.82Å; I96-L136 HydrophobicContact CG2-CD2 3.49Å; I96-L136 VanDerWaalsContact CG2-CD2 3.49Å; I96-L136 HydrophobicContact CG2-CG 4.32Å; L97-L136 HydrophobicContact CD1-CD2 4.28Å; L97-L136 HydrophobicContact CD2-CD2 3.65Å; L97-L136 HydrophobicContact CG-CD2 3.71Å; L132-L136 HydrophobicContact CD1-CD1 4.04Å; L132-L136 HydrophobicContact CD1-CD2 4.3Å; L132-L136 HydrophobicContact CD1-CG 4.02Å; L132-L136 HydrophobicContact CD2-CD1 4.23Å; L132-L136 HydrophobicContact CG-CD1 3.82Å; L132-L136 HydrophobicContact CG-CG 4.15Å; L132-L136 PolarHBondContact O-N 2.98Å; L132-L136 VanDerWaalsContact O-N 3.15Å; C133-L136 PolarHBondContact O-N 3.29Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.23Å; L136-Y139 PolarHBondContact O-N 3.35Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.03Å; L136-W152 HydrophobicContact CB-CE3 4.02Å; L136-W152 HydrophobicContact CB-CH2 3.48Å; L136-W152 VanDerWaalsContact CB-CH2 3.48Å; L136-W152 HydrophobicContact CB-CZ2 4.18Å; L136-W152 HydrophobicContact CB-CZ3 3.4Å; L136-W152 VanDerWaalsContact CB-CZ3 3.4Å; L136-W152 HydrophobicContact CD1-CE3 4.11Å; L136-W152 HydrophobicContact CD1-CH2 4.49Å; L136-W152 HydrophobicContact CD1-CZ3 3.65Å; L136-W152 HydrophobicContact CG-CZ3 4.18Å; L136-L157 HydrophobicContact CD1-CD1 4.28Å; L136-L157 HydrophobicContact CD1-CD2 4.48Å
137S96.1Very high93.4Very high17 Ų1749 Ų4912%0.11931%0.309CS..Hα-helixtrans-62-40.8175.7-51.30000111.7C133 V135 R141 R153C133-S137 VanDerWaalsContact O-CB 3.28Å; C133-S137 WeakPolarHBondContact O-CB 3.5Å; C133-S137 PolarHBondContact O-N 3.21Å; C133-S137 PolarHBondContact O-OG 2.84Å; V135-S137 VanDerWaalsContact C-N 3.3Å; V135-S137 PolarHBondContact O-N 3.07Å; S137-R141 WeakPolarHBondContact O-CB 3.43Å; S137-R141 PolarHBondContact O-N 3.33Å; S137-R153 PolarHBondContact OG-NH2 3.49Å
138A95.6Very high93.9Very high40 Ų4044 Ų4433%0.33128%0.277SS..Hα-helixtrans-64.5-43.317800000111.6F114 P134 V135 L136 R142F114-A138 HydrophobicContact CE1-CB 4.25Å; P134-A138 WeakPolarHBondContact O-CB 3.31Å; P134-A138 PolarHBondContact O-N 3.41Å; V135-A138 PolarHBondContact O-N 3.37Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.23Å; A138-R142 PolarHBondContact O-N 2.92Å; A138-R142 VanDerWaalsContact O-N 3.09Å
139Y97Very high94.4Very high0 Ų043.4 Ų43.40%026%0.259CS..Hα-helixtrans-64.5-51176.4-172.9-123.9000111.2L97 F102 C105 H106 V109 K111 F114 V135 L136 R141 R142 C143L97-Y139 HydrophobicContact CD2-CD1 3.41Å; L97-Y139 VanDerWaalsContact CD2-CD1 3.41Å; L97-Y139 HydrophobicContact CD2-CE1 4.19Å; L97-Y139 HydrophobicContact CD2-CG 3.76Å; F102-Y139 HydrophobicContact CB-CE1 3.92Å; F102-Y139 AromaticContact CD1-CD1 3.67Å; F102-Y139 HydrophobicContact CD1-CD1 3.67Å; F102-Y139 AromaticContact CD1-CE1 3.6Å; F102-Y139 HydrophobicContact CD1-CE1 3.6Å; F102-Y139 HydrophobicContact CD2-CD1 4.45Å; F102-Y139 HydrophobicContact CD2-CE1 4.43Å; F102-Y139 AromaticContact CE1-CD1 3.78Å; F102-Y139 HydrophobicContact CE1-CD1 3.78Å; F102-Y139 HydrophobicContact CE1-CE1 4.2Å; F102-Y139 HydrophobicContact CG-CD1 4.03Å; F102-Y139 AromaticContact CG-CE1 3.73Å; F102-Y139 HydrophobicContact CG-CE1 3.73Å; F102-Y139 HydrophobicContact CZ-CD1 4.21Å; C105-Y139 VanDerWaalsContact SG-CZ 3.56Å; C105-Y139 PolarHBondContact SG-OH 2.02Å; H106-Y139 PolarHBondContact CD2-OH 3.36Å; V109-Y139 HydrophobicContact CB-CE2 3.97Å; V109-Y139 HydrophobicContact CG1-CD2 4.24Å; V109-Y139 HydrophobicContact CG1-CE2 3.72Å; V109-Y139 PolarHBondContact O-OH 3.34Å; V109-Y139 VanDerWaalsContact O-OH 3.09Å; K111-Y139 HydrophobicContact CB-CE1 4.48Å; K111-Y139 HydrophobicContact CB-CE2 4.16Å; F114-Y139 HydrophobicContact CB-CD2 4.05Å; F114-Y139 HydrophobicContact CB-CG 4.32Å; F114-Y139 AromaticContact CD1-CD2 3.92Å; F114-Y139 HydrophobicContact CD1-CD2 3.92Å; F114-Y139 HydrophobicContact CD1-CG 4.24Å; F114-Y139 AromaticContact CD2-CD2 3.42Å; F114-Y139 HydrophobicContact CD2-CD2 3.42Å; F114-Y139 VanDerWaalsContact CD2-CD2 3.42Å; F114-Y139 AromaticContact CD2-CE2 3.93Å; F114-Y139 HydrophobicContact CD2-CE2 3.93Å; F114-Y139 HydrophobicContact CD2-CG 4.4Å; F114-Y139 HydrophobicContact CE1-CD2 4.18Å; F114-Y139 AromaticContact CE2-CD2 3.73Å; F114-Y139 HydrophobicContact CE2-CD2 3.73Å; F114-Y139 HydrophobicContact CE2-CE2 4.24Å; F114-Y139 AromaticContact CG-CD2 3.52Å; F114-Y139 HydrophobicContact CG-CD2 3.52Å; F114-Y139 HydrophobicContact CG-CE2 4.38Å; F114-Y139 HydrophobicContact CG-CG 4.07Å; F114-Y139 HydrophobicContact CZ-CD2 4.09Å; V135-Y139 PolarHBondContact O-N 3.15Å; V135-Y139 VanDerWaalsContact O-N 3.08Å; L136-Y139 PolarHBondContact O-N 3.35Å; Y139-R141 VanDerWaalsContact C-N 3.31Å; Y139-R141 PolarHBondContact O-N 2.98Å; Y139-R142 WeakPolarHBondContact O-CB 3.36Å; Y139-R142 PolarHBondContact O-N 3.09Å; Y139-C143 PolarHBondContact O-N 3.44Å; Y139-C143 PolarHBondContact O-SG 3.08Å
140A96.9Very high94.4Very high0 Ų041.2 Ų41.20%024%0.243CC..Hα-helixtrans-61.1-37.6-179.700000113.4F102 L136 C143 A144 W152 E170F102-A140 HydrophobicContact CE1-CB 3.88Å; F102-A140 HydrophobicContact CZ-CB 4.21Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.03Å; A140-C143 WeakPolarHBondContact O-CB 2.97Å; A140-C143 PolarHBondContact O-N 3.43Å; A140-A144 WeakPolarHBondContact O-CB 3.41Å; A140-A144 PolarHBondContact O-N 3.4Å; A140-W152 VanDerWaalsContact CB-CD1 3.46Å; A140-W152 HydrophobicContact CB-CD2 4.49Å; A140-W152 HydrophobicContact CB-CG 4.35Å; A140-W152 HydrophobicContact CB-CZ2 4.24Å; A140-E170 HydrophobicContact CB-CG 3.93Å
141R94.3Very high94.5Very high73 Ų7342.5 Ų42.528%0.27526%0.256SS..Hα-helixtrans-62.5-43.8172.2-177.8179.7-56.2170.85.3111.8S137 Y139 C143 A144 Q145 A193S137-R141 WeakPolarHBondContact O-CB 3.43Å; S137-R141 PolarHBondContact O-N 3.33Å; Y139-R141 VanDerWaalsContact C-N 3.31Å; Y139-R141 PolarHBondContact O-N 2.98Å; R141-C143 VanDerWaalsContact C-N 3.33Å; R141-A144 PolarHBondContact O-N 2.9Å; R141-Q145 WeakPolarHBondContact O-CG 3.15Å; R141-Q145 PolarHBondContact O-N 2.86Å; R141-A193 VanDerWaalsContact NH2-CB 3.35Å
142R95Very high94.5Very high107 Ų10741.4 Ų41.440%0.40425%0.248SC..Hα-helixtrans-63.5-41.9176.9-177.457.9-172.3-176.75.2111.1V109 F114 A138 Y139 A144 Q145 E146V109-R142 HydrophobicContact CB-CG 4.39Å; V109-R142 HydrophobicContact CG1-CB 4.39Å; V109-R142 HydrophobicContact CG1-CG 3.59Å; V109-R142 HydrophobicContact CG2-CG 3.82Å; F114-R142 HydrophobicContact CZ-CB 4.19Å; F114-R142 HydrophobicContact CZ-CG 4.37Å; A138-R142 PolarHBondContact O-N 2.92Å; A138-R142 VanDerWaalsContact O-N 3.09Å; Y139-R142 WeakPolarHBondContact O-CB 3.36Å; Y139-R142 PolarHBondContact O-N 3.09Å; R142-A144 VanDerWaalsContact C-N 3.32Å; R142-A144 PolarHBondContact O-N 2.98Å; R142-Q145 PolarHBondContact O-N 3.03Å; R142-E146 IonicContact CZ-OE1 3.85Å; R142-E146 IonicContact NE-OE1 2.68Å; R142-E146 PolarHBondContact NE-OE1 3.26Å; R142-E146 IonicContact NH1-OE1 3.66Å; R142-E146 IonicContact NH2-OE1 3.34Å; R142-E146 PolarHBondContact NH2-OE1 3.07Å; R142-E146 PolarHBondContact O-N 2.92Å
143C95.6Very high94.5Very high0 Ų042.2 Ų42.20%025%0.249CC..Hα-helixtrans-55.9-47.4172.4-56.50000111.9C105 Y139 A140 R141 Q145 E146 G147 A148C105-C143 HydrophobicContact CB-CB 3.55Å; C105-C143 WeakPolarHBondContact CB-SG 3.03Å; C105-C143 VanDerWaalsContact SG-CA 3.52Å; C105-C143 WeakPolarHBondContact SG-CB 3.04Å; C105-C143 CovalentContact SG-SG 2Å; C105-C143 PolarHBondContact SG-SG 2.91Å; Y139-C143 PolarHBondContact O-N 3.44Å; Y139-C143 PolarHBondContact O-SG 3.08Å; A140-C143 WeakPolarHBondContact O-CB 2.97Å; A140-C143 PolarHBondContact O-N 3.43Å; R141-C143 VanDerWaalsContact C-N 3.33Å; C143-Q145 VanDerWaalsContact C-N 3.3Å; C143-Q145 PolarHBondContact O-N 3.17Å; C143-E146 CarbonylContact O-C 3.56Å; C143-E146 WeakPolarHBondContact O-CA 3.43Å; C143-E146 PolarHBondContact O-N 3.39Å; C143-G147 PolarHBondContact O-N 2.53Å; C143-A148 CarbonylContact C-O 3.54Å; C143-A148 HydrophobicContact CB-CB 4.46Å; C143-A148 WeakPolarHBondContact CB-O 3.32Å; C143-A148 PolarHBondContact O-N 3.38Å; C143-A148 VanDerWaalsContact O-O 3.12Å
144A94.1Very high94.3Very high13 Ų1345.3 Ų45.311%0.10726%0.264CS..Hα-helixtrans-68.5-30.3-175.300000112.4A140 R141 R142 E146 G147 A148 E170 C171A140-A144 WeakPolarHBondContact O-CB 3.41Å; A140-A144 PolarHBondContact O-N 3.4Å; R141-A144 PolarHBondContact O-N 2.9Å; R142-A144 VanDerWaalsContact C-N 3.32Å; R142-A144 PolarHBondContact O-N 2.98Å; A144-E146 VanDerWaalsContact C-N 3.28Å; A144-E146 PolarHBondContact O-N 3.28Å; A144-G147 PolarHBondContact O-N 3.46Å; A144-G147 VanDerWaalsContact O-N 3.1Å; A144-A148 VanDerWaalsContact CA-O 3.24Å; A144-A148 WeakPolarHBondContact CA-O 3.45Å; A144-A148 PolarHBondContact N-O 3.23Å; A144-E170 HydrophobicContact CB-CB 3.87Å; A144-C171 HydrophobicContact CB-CB 3.43Å; A144-C171 VanDerWaalsContact CB-CB 3.43Å
145Q91.9Very high94.1Very high82 Ų8250.6 Ų50.638%0.38328%0.282SS..Hα-helixtrans-64.4-31.1170.5-72.3169.7-500112.9R141 R142 C143 G147R141-Q145 WeakPolarHBondContact O-CG 3.15Å; R141-Q145 PolarHBondContact O-N 2.86Å; R142-Q145 PolarHBondContact O-N 3.03Å; C143-Q145 VanDerWaalsContact C-N 3.3Å; C143-Q145 PolarHBondContact O-N 3.17Å; Q145-G147 VanDerWaalsContact C-N 3.27Å
146E92.9Very high93.9Very high86 Ų8656 Ų5640%0.40232%0.316SS..THydrogen-bonded Turntrans-87.24.4174.1-56.1-61.9159.500112.5L108 V109 R142 C143 A144L108-E146 HydrophobicContact CB-CB 3.94Å; L108-E146 HydrophobicContact CB-CG 4.36Å; L108-E146 HydrophobicContact CD1-CB 3.9Å; L108-E146 HydrophobicContact CG-CB 4.43Å; V109-E146 HydrophobicContact CG2-CG 3.83Å; R142-E146 IonicContact CZ-OE1 3.85Å; R142-E146 IonicContact NE-OE1 2.68Å; R142-E146 PolarHBondContact NE-OE1 3.26Å; R142-E146 IonicContact NH1-OE1 3.66Å; R142-E146 IonicContact NH2-OE1 3.34Å; R142-E146 PolarHBondContact NH2-OE1 3.07Å; R142-E146 PolarHBondContact O-N 2.92Å; C143-E146 CarbonylContact O-C 3.56Å; C143-E146 WeakPolarHBondContact O-CA 3.43Å; C143-E146 PolarHBondContact O-N 3.39Å; A144-E146 VanDerWaalsContact C-N 3.28Å; A144-E146 PolarHBondContact O-N 3.28Å
147G91.4Very high93.7Very high69 Ų6957.8 Ų57.871%0.71133%0.325SS*.THydrogen-bonded Turntrans95.21.9177.100000115.9C143 A144 Q145C143-G147 PolarHBondContact O-N 2.53Å; A144-G147 PolarHBondContact O-N 3.46Å; A144-G147 VanDerWaalsContact O-N 3.1Å; Q145-G147 VanDerWaalsContact C-N 3.27Å
148A94.2Very high93.6Very high8 Ų857.5 Ų57.57%0.06632%0.323CS..  trans-107.1110.9176.500000111.9E104 C105 L108 C143 A144 P150E104-A148 HydrophobicContact CB-CB 4.41Å; E104-A148 HydrophobicContact CG-CB 4.17Å; C105-A148 HydrophobicContact CB-CB 4.4Å; L108-A148 HydrophobicContact CD1-CB 3.63Å; C143-A148 CarbonylContact C-O 3.54Å; C143-A148 HydrophobicContact CB-CB 4.46Å; C143-A148 WeakPolarHBondContact CB-O 3.32Å; C143-A148 PolarHBondContact O-N 3.38Å; C143-A148 VanDerWaalsContact O-O 3.12Å; A144-A148 VanDerWaalsContact CA-O 3.24Å; A144-A148 WeakPolarHBondContact CA-O 3.45Å; A144-A148 PolarHBondContact N-O 3.23Å; A148-P150 VanDerWaalsContact C-CD 3.5Å; A148-P150 WeakPolarHBondContact O-CD 3.49Å
149S92.4Very high93.6Very high80 Ų8059.6 Ų59.656%0.55933%0.333SS*.  trans-116.275.8180-178.80000111.8
150P90.2Very high93.5Very high21 Ų2162.3 Ų62.314%0.13635%0.349CS..  trans-68.6143.9-178.227.9-33.6000112.2V101 F102 A148 W152V101-P150 HydrophobicContact CG1-CB 4.38Å; V101-P150 WeakPolarHBondContact O-CB 3.37Å; F102-P150 HydrophobicContact CD1-CG 3.52Å; F102-P150 HydrophobicContact CE1-CG 3.66Å; F102-P150 HydrophobicContact CG-CG 4.38Å; A148-P150 VanDerWaalsContact C-CD 3.5Å; A148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-W152 VanDerWaalsContact C-N 3.28Å; P150-W152 PolarHBondContact O-N 2.91Å
151P91.4Very high93.3Very high124 Ų12470.4 Ų70.481%0.80539%0.389SS*.  trans-78.775.817733.4-35.2000110.7
152W95Very high93.2Very high7 Ų768.1 Ų68.13%0.02738%0.384CS..  trans-88.6-24.5-175.871.2-87.4000113.9V101 F102 L136 A140 P150 L157 C158 E170V101-W152 HydrophobicContact CG1-CB 3.61Å; F102-W152 HydrophobicContact CE1-CB 4.29Å; F102-W152 HydrophobicContact CE1-CG 4.25Å; F102-W152 HydrophobicContact CE2-CB 3.84Å; F102-W152 HydrophobicContact CE2-CG 4.27Å; F102-W152 HydrophobicContact CZ-CB 3.54Å; F102-W152 AromaticContact CZ-CD1 3.92Å; F102-W152 HydrophobicContact CZ-CD2 4.09Å; F102-W152 AromaticContact CZ-CG 3.55Å; F102-W152 HydrophobicContact CZ-CG 3.55Å; L136-W152 HydrophobicContact CB-CE3 4.02Å; L136-W152 HydrophobicContact CB-CH2 3.48Å; L136-W152 VanDerWaalsContact CB-CH2 3.48Å; L136-W152 HydrophobicContact CB-CZ2 4.18Å; L136-W152 HydrophobicContact CB-CZ3 3.4Å; L136-W152 VanDerWaalsContact CB-CZ3 3.4Å; L136-W152 HydrophobicContact CD1-CE3 4.11Å; L136-W152 HydrophobicContact CD1-CH2 4.49Å; L136-W152 HydrophobicContact CD1-CZ3 3.65Å; L136-W152 HydrophobicContact CG-CZ3 4.18Å; A140-W152 VanDerWaalsContact CB-CD1 3.46Å; A140-W152 HydrophobicContact CB-CD2 4.49Å; A140-W152 HydrophobicContact CB-CG 4.35Å; A140-W152 HydrophobicContact CB-CZ2 4.24Å; P150-W152 VanDerWaalsContact C-N 3.28Å; P150-W152 PolarHBondContact O-N 2.91Å; W152-L157 HydrophobicContact CE3-CD2 4.37Å; W152-C158 HydrophobicContact CH2-CB 3.81Å; W152-C158 HydrophobicContact CZ3-CB 3.67Å; W152-E170 VanDerWaalsContact CZ2-OE1 3.29Å; W152-E170 WeakPolarHBondContact CZ2-OE1 3.21Å; W152-E170 PolarHBondContact NE1-OE1 3.44Å
153R95Very high93.1Very high51 Ų5167.2 Ų67.219%0.19239%0.392CS..  trans-79.2143.7175.4-63.3-179-176.7-903.9110.7S137 C158 Y168 E170S137-R153 PolarHBondContact OG-NH2 3.49Å; R153-C158 WeakPolarHBondContact CD-O 3.11Å; R153-C158 PolarHBondContact NH1-O 2.74Å; R153-Y168 VanDerWaalsContact NE-CE1 3.32Å; R153-Y168 PolarHBondContact NH2-OH 3.38Å; R153-E170 IonicContact CZ-OE1 3.06Å; R153-E170 IonicContact NE-OE1 3.79Å; R153-E170 PolarHBondContact NE-OE1 3.3Å; R153-E170 IonicContact NH2-OE1 2.76Å; R153-E170 PolarHBondContact NH2-OE1 2.93Å
154N93Very high92.8Very high79 Ų7967.8 Ų67.842%0.42240%0.399SS..  trans-149.4-177.6171.965.153.7000110.3T156 L157N154-T156 PolarHBondContact O-N 3.38Å; N154-T156 VanDerWaalsContact O-N 3.14Å; N154-T156 WeakPolarHBondContact OD1-CA 3.4Å; N154-T156 PolarHBondContact OD1-N 3.05Å; N154-T156 PolarHBondContact OD1-OG1 2.83Å; N154-L157 PolarHBondContact N-O 2.87Å; N154-L157 CarbonylContact O-C 3.48Å; N154-L157 PolarHBondContact O-N 3.33Å; N154-L157 VanDerWaalsContact O-O 3.04Å; N154-L157 PolarHBondContact OD1-N 3.1Å
155Q91.1Very high92.7Very high186 Ų18670 Ų7087%0.86942%0.422SS*.SBendtrans-61.2-24.3-177.5-64.91789.300113.6
156T91.1Very high92.7Very high133 Ų13366.8 Ų66.882%0.81641%0.407SS*.SBendtrans-101.4-19.3-179.3630000113.5N154N154-T156 PolarHBondContact O-N 3.38Å; N154-T156 VanDerWaalsContact O-N 3.14Å; N154-T156 WeakPolarHBondContact OD1-CA 3.4Å; N154-T156 PolarHBondContact OD1-N 3.05Å; N154-T156 PolarHBondContact OD1-OG1 2.83Å
157L93.4Very high92.6Very high37 Ų3768.2 Ų68.219%0.19441%0.414CS..SBendtrans-125.6107.4-176-177.465.9000110.4I96 L132 L136 W152 N154I96-L157 HydrophobicContact CD1-CD2 3.25Å; L132-L157 HydrophobicContact CD2-CD1 4.2Å; L136-L157 HydrophobicContact CD1-CD1 4.28Å; L136-L157 HydrophobicContact CD1-CD2 4.48Å; W152-L157 HydrophobicContact CE3-CD2 4.37Å; N154-L157 PolarHBondContact N-O 2.87Å; N154-L157 CarbonylContact O-C 3.48Å; N154-L157 PolarHBondContact O-N 3.33Å; N154-L157 VanDerWaalsContact O-O 3.04Å; N154-L157 PolarHBondContact OD1-N 3.1Å
158C94.8Very high92.7Very high11 Ų1168.1 Ų68.17%0.07439%0.392CS..SBendtrans5153174.7-50.90000113.5C133 W152 R153C133-C158 WeakPolarHBondContact CA-SG 3.48Å; C133-C158 HydrophobicContact CB-CB 3.66Å; C133-C158 WeakPolarHBondContact CB-SG 3.23Å; C133-C158 WeakPolarHBondContact SG-CA 3.49Å; C133-C158 WeakPolarHBondContact SG-CB 3.16Å; C133-C158 CovalentContact SG-SG 2.02Å; C133-C158 PolarHBondContact SG-SG 3.03Å; W152-C158 HydrophobicContact CH2-CB 3.81Å; W152-C158 HydrophobicContact CZ3-CB 3.67Å; R153-C158 WeakPolarHBondContact CD-O 3.11Å; R153-C158 PolarHBondContact NH1-O 2.74Å
159P95Very high92.6Very high85 Ų8572.3 Ų72.355%0.55241%0.406SS*.  trans-63.9143.2-17628.6-35.5000111
160V94.1Very high92.6Very high56 Ų5668.8 Ų68.834%0.33938%0.381SS..  trans-125.8134.1173.2-179.20000108.2Y168V160-Y168 HydrophobicContact CB-CD2 4.13Å; V160-Y168 HydrophobicContact CB-CG 4.18Å; V160-Y168 HydrophobicContact CG1-CD2 3.55Å; V160-Y168 HydrophobicContact CG1-CE2 4.06Å; V160-Y168 HydrophobicContact CG1-CG 4.03Å; V160-Y168 HydrophobicContact CG2-CD2 4.27Å; V160-Y168 HydrophobicContact CG2-CE2 4.25Å; V160-Y168 HydrophobicContact CG2-CG 4.41Å
161M93.3Very high92.6Very high170 Ų17069.5 Ų69.584%0.83739%0.386SS*.  trans-107.3118.6178.3-67.4-86.23800110.2
162C92.6Very high92.4Very high26 Ų2663.6 Ų63.618%0.17635%0.348CS..  trans-106.8123.8178-68.30000109.9Q166 Y168 C195C162-Q166 HydrophobicContact CB-CB 3.9Å; C162-Q166 VanDerWaalsContact CB-O 3.24Å; C162-Q166 WeakPolarHBondContact CB-O 3.49Å; C162-Y168 PolarHBondContact SG-N 3.24Å; C162-C195 WeakPolarHBondContact CA-SG 3.29Å; C162-C195 HydrophobicContact CB-CB 3.64Å; C162-C195 WeakPolarHBondContact CB-SG 3.43Å; C162-C195 VanDerWaalsContact SG-CA 3.6Å; C162-C195 WeakPolarHBondContact SG-CB 3.48Å; C162-C195 CovalentContact SG-SG 2.04Å; C162-C195 PolarHBondContact SG-SG 2.9Å
163P92Very high91.7Very high87 Ų8766.9 Ų66.957%0.56537%0.37SS*.SBendtrans-77.8167.2179.332.3-34000111.5G165 Q166P163-G165 VanDerWaalsContact C-N 3.35Å; P163-G165 PolarHBondContact O-N 2.9Å; P163-Q166 VanDerWaalsContact O-CB 3.26Å; P163-Q166 WeakPolarHBondContact O-CB 3.47Å; P163-Q166 WeakPolarHBondContact O-CG 3.34Å; P163-Q166 PolarHBondContact O-N 3.49Å; P163-Q166 VanDerWaalsContact O-N 3.15Å; P163-Q166 PolarHBondContact O-NE2 3.21Å
164G90.3Very high90.8Very high13 Ų1366.9 Ų66.913%0.13438%0.381CS..THydrogen-bonded Turntrans63.531.7163.900000116.3Q166 C209G164-Q166 PolarHBondContact O-N 3.09Å; G164-C209 PolarHBondContact O-N 2.94Å
165G90.9Very high89.8Confident58 Ų5864.3 Ų64.360%0.59837%0.369SS*.THydrogen-bonded Turntrans72.214.1-179.600000114.2P163P163-G165 VanDerWaalsContact C-N 3.35Å; P163-G165 PolarHBondContact O-N 2.9Å
166Q91.8Very high88.6Confident16 Ų1656.4 Ų56.48%0.07534%0.337CS..  trans-77.1156.4175.4-64.4169.357.200111.6C162 P163 G164 C195 N196 W203 C209C162-Q166 HydrophobicContact CB-CB 3.9Å; C162-Q166 VanDerWaalsContact CB-O 3.24Å; C162-Q166 WeakPolarHBondContact CB-O 3.49Å; P163-Q166 VanDerWaalsContact O-CB 3.26Å; P163-Q166 WeakPolarHBondContact O-CB 3.47Å; P163-Q166 WeakPolarHBondContact O-CG 3.34Å; P163-Q166 PolarHBondContact O-N 3.49Å; P163-Q166 VanDerWaalsContact O-N 3.15Å; P163-Q166 PolarHBondContact O-NE2 3.21Å; G164-Q166 PolarHBondContact O-N 3.09Å; Q166-C195 HydrophobicContact CB-CB 4.05Å; Q166-C195 PolarHBondContact OE1-O 3.35Å; Q166-N196 WeakPolarHBondContact CA-O 3.34Å; Q166-W203 HydrophobicContact CG-CE3 4.46Å; Q166-W203 HydrophobicContact CG-CZ3 4.17Å; Q166-C209 WeakPolarHBondContact CG-SG 3.44Å
167E91.9Very high87.9Confident116 Ų11655.5 Ų55.554%0.54232%0.324SS..EExtended strand (participates in β ladder)trans-118.5141.4174.5-69178.8179.700110.4C195 N196 P198E167-C195 WeakPolarHBondContact O-CA 3.25Å; E167-N196 PolarHBondContact N-O 2.89Å; E167-N196 PolarHBondContact O-N 2.74Å; E167-P198 HydrophobicContact CG-CG 4.03Å
168Y92.7Very high87.5Confident66 Ų6658 Ų5826%0.25933%0.334SS..EExtended strand (participates in β ladder)trans-75.2133.3176-175.9-99000110.4R153 V160 C162 E170R153-Y168 VanDerWaalsContact NE-CE1 3.32Å; R153-Y168 PolarHBondContact NH2-OH 3.38Å; V160-Y168 HydrophobicContact CB-CD2 4.13Å; V160-Y168 HydrophobicContact CB-CG 4.18Å; V160-Y168 HydrophobicContact CG1-CD2 3.55Å; V160-Y168 HydrophobicContact CG1-CE2 4.06Å; V160-Y168 HydrophobicContact CG1-CG 4.03Å; V160-Y168 HydrophobicContact CG2-CD2 4.27Å; V160-Y168 HydrophobicContact CG2-CE2 4.25Å; V160-Y168 HydrophobicContact CG2-CG 4.41Å; C162-Y168 PolarHBondContact SG-N 3.24Å; Y168-E170 HydrophobicContact CE1-CG 4.22Å; Y168-E170 WeakPolarHBondContact CE1-OE1 3.4Å; Y168-E170 PolarHBondContact OH-OE2 3.15Å
169R92Very high87.1Confident96 Ų9658.6 Ų58.636%0.36234%0.338SS..EExtended strand (participates in β ladder)trans-130.3137.7174.4-52.9-176.788-166.83.7109.1C171 A172 A193 G194R169-C171 PolarHBondContact O-N 3.09Å; R169-A172 HydrophobicContact CB-CB 4.16Å; R169-A193 CarbonylContact O-C 3.52Å; R169-A193 VanDerWaalsContact O-CA 3.24Å; R169-A193 WeakPolarHBondContact O-CA 3.05Å; R169-G194 PolarHBondContact N-O 2.04Å; R169-G194 PolarHBondContact O-N 3.2Å
170E92.8Very high86.2Confident7 Ų757.5 Ų57.53%0.03334%0.343CS..EExtended strand (participates in β ladder)trans-71-25177.2-68.8-66.5173.300112.4A140 A144 W152 R153 Y168 A193A140-E170 HydrophobicContact CB-CG 3.93Å; A144-E170 HydrophobicContact CB-CB 3.87Å; W152-E170 VanDerWaalsContact CZ2-OE1 3.29Å; W152-E170 WeakPolarHBondContact CZ2-OE1 3.21Å; W152-E170 PolarHBondContact NE1-OE1 3.44Å; R153-E170 IonicContact CZ-OE1 3.06Å; R153-E170 IonicContact NE-OE1 3.79Å; R153-E170 PolarHBondContact NE-OE1 3.3Å; R153-E170 IonicContact NH2-OE1 2.76Å; R153-E170 PolarHBondContact NH2-OE1 2.93Å; Y168-E170 HydrophobicContact CE1-CG 4.22Å; Y168-E170 WeakPolarHBondContact CE1-OE1 3.4Å; Y168-E170 PolarHBondContact OH-OE2 3.15Å; E170-A193 WeakPolarHBondContact O-CA 3.38Å; E170-A193 VanDerWaalsContact O-CB 3.3Å; E170-A193 WeakPolarHBondContact O-CB 3Å; E170-A193 PolarHBondContact O-N 3.11Å
171C91Very high84.9Confident36 Ų3664.2 Ų64.224%0.24337%0.367CS..EExtended strand (participates in β ladder)trans-144.591.5-179.1-179.40000108.1A144 R169 C191A144-C171 HydrophobicContact CB-CB 3.43Å; A144-C171 VanDerWaalsContact CB-CB 3.43Å; R169-C171 PolarHBondContact O-N 3.09Å; C171-C191 VanDerWaalsContact CA-SG 3.5Å; C171-C191 HydrophobicContact CB-CB 3.88Å; C171-C191 WeakPolarHBondContact CB-SG 2.99Å; C171-C191 WeakPolarHBondContact SG-CB 3.46Å; C171-C191 CovalentContact SG-SG 2.01Å; C171-C191 PolarHBondContact SG-SG 3.39Å
172A87.1Confident83.5Confident0 Ų061.4 Ų61.40%036%0.362CS..EExtended strand (participates in β ladder)trans-108.6154.1169.600000110.1R169 A174 C191 V192 N196R169-A172 HydrophobicContact CB-CB 4.16Å; A172-A174 PolarHBondContact O-N 3.3Å; A172-C191 CarbonylContact O-C 2.94Å; A172-C191 WeakPolarHBondContact O-CA 3.46Å; A172-C191 WeakPolarHBondContact O-CB 3.23Å; A172-V192 PolarHBondContact N-O 3.23Å; A172-V192 PolarHBondContact O-N 2.93Å; A172-N196 HydrophobicContact CB-CB 4.26Å; A172-N196 WeakPolarHBondContact CB-ND2 3.31Å
173P80.5Confident82.1Confident75 Ų7566.6 Ų66.649%0.48738%0.383SS..EExtended strand (participates in β ladder)trans-50.6140.4171.3-24.334.3000110.9C175P173-C175 PolarHBondContact O-N 3.36Å
174A75.2Confident80.7Confident51 Ų5170 Ų7042%0.42140%0.397SS..SBendtrans-63.6-20.3178.700000113A172 L188 V192A172-A174 PolarHBondContact O-N 3.3Å; A174-L188 HydrophobicContact CB-CD2 4.07Å; A174-V192 HydrophobicContact CB-CG1 4.43Å
175C73.3Confident79.5Confident25 Ų2571.6 Ų71.617%0.16941%0.406CS..SBendtrans-100.8142.2171.675.10000111.3P173 C185P173-C175 PolarHBondContact O-N 3.36Å; C175-C185 HydrophobicContact CB-CB 3.75Å; C175-C185 WeakPolarHBondContact CB-SG 3.49Å; C175-C185 WeakPolarHBondContact SG-CB 3.47Å; C175-C185 CovalentContact SG-SG 1.98Å; C175-C185 PolarHBondContact SG-SG 3.31Å
176G65.6Low77.7Confident20 Ų2071.3 Ų71.321%0.20640%0.402CS..  trans-88.4157174.700000112.2H178G176-H178 PolarHBondContact O-CD2 3.12Å; G176-H178 VanDerWaalsContact O-CD2 3.26Å; G176-H178 PolarHBondContact O-N 3.11Å
177Q76.1Confident75.9Confident115 Ų11580 Ų8054%0.53744%0.443SS..  trans-88.299.6167.5-67.1-69.8-40.300108L202 W203Q177-L202 HydrophobicContact CB-CD2 3.53Å; Q177-L202 CarbonylContact O-C 3.57Å; Q177-L202 WeakPolarHBondContact O-CA 3.48Å; Q177-W203 PolarHBondContact O-N 3.09Å
178H84.3Confident74.2Confident88 Ų8880.1 Ų80.141%0.40745%0.447SS..BIsolated β-bridgetrans-102150.5-177.6-60.1-83000111.5G176 G180 W203G176-H178 PolarHBondContact O-CD2 3.12Å; G176-H178 VanDerWaalsContact O-CD2 3.26Å; G176-H178 PolarHBondContact O-N 3.11Å; H178-G180 PolarHBondContact O-N 2.04Å; H178-W203 AromaticContact ND1-CG 3.76Å
179C86.3Confident72.7Confident24 Ų2481.4 Ų81.416%0.16248%0.48CS..SBendtrans-59.4123.1167.5-73.30000109.9W203 C215C179-W203 PolarHBondContact N-O 3.32Å; C179-C215 WeakPolarHBondContact CA-SG 3.26Å; C179-C215 HydrophobicContact CB-CB 3.58Å; C179-C215 WeakPolarHBondContact CB-SG 3.34Å; C179-C215 WeakPolarHBondContact SG-CA 3.34Å; C179-C215 WeakPolarHBondContact SG-CB 3.28Å; C179-C215 CovalentContact SG-SG 2.04Å; C179-C215 PolarHBondContact SG-SG 3.36Å
180G77.8Confident71.8Confident62 Ų6279.8 Ų79.864%0.63948%0.483SS*.SBendtrans134.2-148.5-179.100000112.3H178H178-G180 PolarHBondContact O-N 2.04Å
181K65.8Low71.4Confident197 Ų19780.7 Ų80.786%0.85749%0.49SS*.SBendtrans-71.7126.4174.8-72.6-173.2177.4-177.10108.5E183K181-E183 PolarHBondContact O-N 3.4Å
182P63.9Low71.2Confident111 Ų11182.4 Ų82.472%0.72150%0.499SS*.PPolyproline II helixtrans-55.2125.6170.9-19.229.8000108.6
183E63.7Low71.4Confident135 Ų13583.6 Ų83.663%0.63151%0.509SS*.PPolyproline II helixtrans-70.7130.8165.7-65.7-168.6149.800107.5K181 C185K181-E183 PolarHBondContact O-N 3.4Å; E183-C185 PolarHBondContact O-N 3.07Å; E183-C185 VanDerWaalsContact O-N 3.09Å; E183-C185 PolarHBondContact O-SG 3.46Å
184D62.8Low71.9Confident160 Ų16081 Ų8186%0.85650%0.496SS*.  trans-76.498.3171.3-1724.6000107.8G186D184-G186 PolarHBondContact O-N 2.94Å; D184-G186 PolarHBondContact OD1-N 3.11Å; D184-G186 VanDerWaalsContact OD1-N 3.14Å
185C63.2Low72.6Confident46 Ų4680.2 Ų80.231%0.31149%0.487SS..  trans-88.217.5179.4-41.70000113C175 E183 E187C175-C185 HydrophobicContact CB-CB 3.75Å; C175-C185 WeakPolarHBondContact CB-SG 3.49Å; C175-C185 WeakPolarHBondContact SG-CB 3.47Å; C175-C185 CovalentContact SG-SG 1.98Å; C175-C185 PolarHBondContact SG-SG 3.31Å; E183-C185 PolarHBondContact O-N 3.07Å; E183-C185 VanDerWaalsContact O-N 3.09Å; E183-C185 PolarHBondContact O-SG 3.46Å; C185-E187 PolarHBondContact O-N 3.37Å
186G54.9Low73.3Confident51 Ų5180.3 Ų80.353%0.52649%0.486SS..THydrogen-bonded Turntrans-44.9126178.800000112.2D184 L188D184-G186 PolarHBondContact O-N 2.94Å; D184-G186 PolarHBondContact OD1-N 3.11Å; D184-G186 VanDerWaalsContact OD1-N 3.14Å; G186-L188 PolarHBondContact O-N 3.38Å
187E54Low74.5Confident199 Ų19980.3 Ų80.393%0.9348%0.482SS*.THydrogen-bonded Turntrans72.413.5166.8-57.6-166.5157.600119.6C185 G189C185-E187 PolarHBondContact O-N 3.37Å; E187-G189 VanDerWaalsContact C-N 3.25Å; E187-G189 PolarHBondContact O-N 2.85Å
188L56.3Low75.2Confident119 Ų11976.3 Ų76.362%0.62347%0.466SS*.  trans-76.886.6155-102.377000108.3A174 G186 S190A174-L188 HydrophobicContact CB-CD2 4.07Å; G186-L188 PolarHBondContact O-N 3.38Å; L188-S190 PolarHBondContact O-N 3.44Å
189G59.4Low75.3Confident93 Ų9379.3 Ų79.396%0.95949%0.485SS*.  trans-61.714.2168.600000114E187E187-G189 VanDerWaalsContact C-N 3.25Å; E187-G189 PolarHBondContact O-N 2.85Å
190S73.4Confident75.3Confident62 Ų6281 Ų8143%0.43451%0.506SS..  trans-108.7127.317860.30000110.3L188L188-S190 PolarHBondContact O-N 3.44Å
191C85.6Confident75.9Confident25 Ų2580.5 Ų80.517%0.16949%0.488CS..EExtended strand (participates in β ladder)trans-103.7156.5168.7660000110.5C171 A172C171-C191 VanDerWaalsContact CA-SG 3.5Å; C171-C191 HydrophobicContact CB-CB 3.88Å; C171-C191 WeakPolarHBondContact CB-SG 2.99Å; C171-C191 WeakPolarHBondContact SG-CB 3.46Å; C171-C191 CovalentContact SG-SG 2.01Å; C171-C191 PolarHBondContact SG-SG 3.39Å; A172-C191 CarbonylContact O-C 2.94Å; A172-C191 WeakPolarHBondContact O-CA 3.46Å; A172-C191 WeakPolarHBondContact O-CB 3.23Å
192V87Confident77Confident72 Ų7272.6 Ų72.644%0.43646%0.455SS..EExtended strand (participates in β ladder)trans-125.8147.5177.7-60.90000109.8A172 A174A172-V192 PolarHBondContact N-O 3.23Å; A172-V192 PolarHBondContact O-N 2.93Å; A174-V192 HydrophobicContact CB-CG1 4.43Å
193A90.5Very high78.2Confident25 Ų2571 Ų7121%0.20744%0.435CS..EExtended strand (participates in β ladder)trans-78135.8173.400000109.8R141 R169 E170R141-A193 VanDerWaalsContact NH2-CB 3.35Å; R169-A193 CarbonylContact O-C 3.52Å; R169-A193 VanDerWaalsContact O-CA 3.24Å; R169-A193 WeakPolarHBondContact O-CA 3.05Å; E170-A193 WeakPolarHBondContact O-CA 3.38Å; E170-A193 VanDerWaalsContact O-CB 3.3Å; E170-A193 WeakPolarHBondContact O-CB 3Å; E170-A193 PolarHBondContact O-N 3.11Å
194G90.1Very high79.4Confident20 Ų2065.5 Ų65.521%0.20641%0.41CS..EExtended strand (participates in β ladder)trans172.7174.4-179.900000114.1R169 N196R169-G194 PolarHBondContact N-O 2.04Å; R169-G194 PolarHBondContact O-N 3.2Å; G194-N196 PolarHBondContact O-ND2 3.3Å
195C91Very high80.5Confident35 Ų3560.7 Ų60.724%0.23639%0.387CS..EExtended strand (participates in β ladder)trans-76.9127.3172.5-61.30000109.8C162 Q166 E167C162-C195 WeakPolarHBondContact CA-SG 3.29Å; C162-C195 HydrophobicContact CB-CB 3.64Å; C162-C195 WeakPolarHBondContact CB-SG 3.43Å; C162-C195 VanDerWaalsContact SG-CA 3.6Å; C162-C195 WeakPolarHBondContact SG-CB 3.48Å; C162-C195 CovalentContact SG-SG 2.04Å; C162-C195 PolarHBondContact SG-SG 2.9Å; Q166-C195 HydrophobicContact CB-CB 4.05Å; Q166-C195 PolarHBondContact OE1-O 3.35Å; E167-C195 WeakPolarHBondContact O-CA 3.25Å
196N88.6Confident81.6Confident27 Ų2764.6 Ų64.614%0.14440%0.401CS..EExtended strand (participates in β ladder)trans-139153.2-177-74.1-94.6000109.8Q166 E167 A172 G194Q166-N196 WeakPolarHBondContact CA-O 3.34Å; E167-N196 PolarHBondContact N-O 2.89Å; E167-N196 PolarHBondContact O-N 2.74Å; A172-N196 HydrophobicContact CB-CB 4.26Å; A172-N196 WeakPolarHBondContact CB-ND2 3.31Å; G194-N196 PolarHBondContact O-ND2 3.3Å
197C89.8Confident83.1Confident20 Ų2063 Ų6314%0.13539%0.385CS..PPolyproline II helixtrans-65141171.4-69.30000111L201 C209C197-L201 HydrophobicContact CB-CB 4.12Å; C197-C209 WeakPolarHBondContact CA-SG 3.29Å; C197-C209 HydrophobicContact CB-CB 3.81Å; C197-C209 WeakPolarHBondContact CB-SG 3.44Å; C197-C209 WeakPolarHBondContact SG-CA 3.34Å; C197-C209 WeakPolarHBondContact SG-CB 3.5Å; C197-C209 CovalentContact SG-SG 2.04Å; C197-C209 PolarHBondContact SG-SG 2.72Å
198P90.1Very high84.9Confident31 Ų3158 Ų5820%0.20136%0.361CS..PPolyproline II helixtrans-53.3157.6169.5-25.633.4000111.9E167 G200 L201E167-P198 HydrophobicContact CG-CG 4.03Å; P198-G200 PolarHBondContact O-N 3.05Å; P198-L201 HydrophobicContact CB-CD1 4.45Å; P198-L201 HydrophobicContact CG-CD1 4.32Å; P198-L201 PolarHBondContact O-N 3.46Å; P198-L201 VanDerWaalsContact O-N 3.08Å
199L86.6Confident86.6Confident152 Ų15253.2 Ų53.280%0.79634%0.338SS*.THydrogen-bonded Turntrans-54.9129.7178.5-69.5172.3000110.9
200G86.5Confident88.2Confident60 Ų6049.8 Ų49.862%0.61930%0.298SS*.THydrogen-bonded Turntrans88.7-3.8179.700000115.3P198 P212P198-G200 PolarHBondContact O-N 3.05Å; G200-P212 WeakPolarHBondContact O-CD 3.25Å
201L90.6Very high89.1Confident50 Ų5049.3 Ų49.326%0.26229%0.294SS..  trans-105.1150.1172.4-57.4-172.9000111.3C197 P198 C209 V210 P211C197-L201 HydrophobicContact CB-CB 4.12Å; P198-L201 HydrophobicContact CB-CD1 4.45Å; P198-L201 HydrophobicContact CG-CD1 4.32Å; P198-L201 PolarHBondContact O-N 3.46Å; P198-L201 VanDerWaalsContact O-N 3.08Å; L201-C209 HydrophobicContact CB-CB 4.05Å; L201-C209 HydrophobicContact CD1-CB 3.9Å; L201-V210 WeakPolarHBondContact CA-O 3.37Å; L201-P211 HydrophobicContact CD2-CB 4.43Å; L201-P211 HydrophobicContact CD2-CG 4.04Å
202L89.1Confident89.2Confident31 Ų3151.9 Ų51.916%0.16231%0.31CS..EExtended strand (participates in β ladder)trans-115.7147178.6-57.3-175.4000110Q177 D204 C209 V210 P212 C215Q177-L202 HydrophobicContact CB-CD2 3.53Å; Q177-L202 CarbonylContact O-C 3.57Å; Q177-L202 WeakPolarHBondContact O-CA 3.48Å; L202-D204 PolarHBondContact O-N 3.23Å; L202-C209 WeakPolarHBondContact O-CA 3Å; L202-V210 PolarHBondContact N-O 2.97Å; L202-V210 PolarHBondContact O-N 2.65Å; L202-P212 HydrophobicContact CD1-CB 3.92Å; L202-P212 HydrophobicContact CD1-CG 3.99Å; L202-P212 HydrophobicContact CG-CG 4.1Å; L202-C215 VanDerWaalsContact CD1-SG 3.56Å
203W89.4Confident89.3Confident77 Ų7753.1 Ų53.129%0.29232%0.322SS..EExtended strand (participates in β ladder)trans-79.5116176.6-166.6-56.8000109.7Q166 Q177 H178 C179 G207Q166-W203 HydrophobicContact CG-CE3 4.46Å; Q166-W203 HydrophobicContact CG-CZ3 4.17Å; Q177-W203 PolarHBondContact O-N 3.09Å; H178-W203 AromaticContact ND1-CG 3.76Å; C179-W203 PolarHBondContact N-O 3.32Å; W203-G207 VanDerWaalsContact NE1-CA 3.33Å
204D88.8Confident89.3Confident20 Ų2056.3 Ų56.311%0.10734%0.335CS..  trans-79.1163.5176.678.85000112.6L202 E206 G207 Q208 V210L202-D204 PolarHBondContact O-N 3.23Å; D204-E206 PolarHBondContact O-N 3.06Å; D204-E206 VanDerWaalsContact OD1-C 3.29Å; D204-E206 WeakPolarHBondContact OD1-CA 3.26Å; D204-E206 WeakPolarHBondContact OD1-CB 3.44Å; D204-E206 PolarHBondContact OD1-N 3.21Å; D204-G207 PolarHBondContact O-N 2.66Å; D204-G207 VanDerWaalsContact O-N 3.07Å; D204-G207 PolarHBondContact OD1-N 2.55Å; D204-Q208 PolarHBondContact N-O 3.38Å; D204-Q208 PolarHBondContact OD1-N 3.14Å; D204-Q208 WeakPolarHBondContact OD2-CB 3.45Å; D204-V210 HydrophobicContact CB-CG1 4.44Å; D204-V210 HydrophobicContact CB-CG2 3.94Å
205P85.4Confident89.2Confident59 Ų5956.2 Ų56.238%0.38333%0.331SS..THydrogen-bonded Turntrans-58.7-16.1179.6-23.734.2000115.3P216 R223P205-P216 HydrophobicContact CG-CG 3.82Å; P205-R223 VanDerWaalsContact CB-NH1 3.28Å
206E86.4Confident89Confident129 Ų12956.1 Ų56.160%0.60333%0.33SS*.THydrogen-bonded Turntrans-93.5-4.8-178.9-67.367-143.800113.2D204D204-E206 PolarHBondContact O-N 3.06Å; D204-E206 VanDerWaalsContact OD1-C 3.29Å; D204-E206 WeakPolarHBondContact OD1-CA 3.26Å; D204-E206 WeakPolarHBondContact OD1-CB 3.44Å; D204-E206 PolarHBondContact OD1-N 3.21Å
207G86.2Confident88.7Confident17 Ų1758.7 Ų58.718%0.17535%0.349CS..SBendtrans99.16.217800000115.9W203 D204W203-G207 VanDerWaalsContact NE1-CA 3.33Å; D204-G207 PolarHBondContact O-N 2.66Å; D204-G207 VanDerWaalsContact O-N 3.07Å; D204-G207 PolarHBondContact OD1-N 2.55Å
208Q92.1Very high88.3Confident93 Ų9364.1 Ų64.144%0.43537%0.373SS..  trans-103143-174.6-52.2-61.9-60.100111.9D204 V210D204-Q208 PolarHBondContact N-O 3.38Å; D204-Q208 PolarHBondContact OD1-N 3.14Å; D204-Q208 WeakPolarHBondContact OD2-CB 3.45Å; Q208-V210 HydrophobicContact CB-CG1 4.2Å; Q208-V210 PolarHBondContact O-N 3.26Å
209C92.5Very high87.8Confident20 Ų2065.8 Ų65.814%0.13538%0.379CS..EExtended strand (participates in β ladder)trans-80.1111.5170.1-620000110G164 Q166 C197 L201 L202G164-C209 PolarHBondContact O-N 2.94Å; Q166-C209 WeakPolarHBondContact CG-SG 3.44Å; C197-C209 WeakPolarHBondContact CA-SG 3.29Å; C197-C209 HydrophobicContact CB-CB 3.81Å; C197-C209 WeakPolarHBondContact CB-SG 3.44Å; C197-C209 WeakPolarHBondContact SG-CA 3.34Å; C197-C209 WeakPolarHBondContact SG-CB 3.5Å; C197-C209 CovalentContact SG-SG 2.04Å; C197-C209 PolarHBondContact SG-SG 2.72Å; L201-C209 HydrophobicContact CB-CB 4.05Å; L201-C209 HydrophobicContact CD1-CB 3.9Å; L202-C209 WeakPolarHBondContact O-CA 3Å
210V92.8Very high87.4Confident20 Ų2061.6 Ų61.612%0.12137%0.373CS..EExtended strand (participates in β ladder)trans-123.7152.5-178.3-58.60000111.2L201 L202 D204 Q208 L214L201-V210 WeakPolarHBondContact CA-O 3.37Å; L202-V210 PolarHBondContact N-O 2.97Å; L202-V210 PolarHBondContact O-N 2.65Å; D204-V210 HydrophobicContact CB-CG1 4.44Å; D204-V210 HydrophobicContact CB-CG2 3.94Å; Q208-V210 HydrophobicContact CB-CG1 4.2Å; Q208-V210 PolarHBondContact O-N 3.26Å; V210-L214 HydrophobicContact CB-CB 4.11Å; V210-L214 HydrophobicContact CG2-CB 4.36Å
211P91.9Very high87Confident53 Ų5363.7 Ų63.734%0.34438%0.384SS..  trans-59151.1169.8-23.433.8000111.4L201 S213 L214L201-P211 HydrophobicContact CD2-CB 4.43Å; L201-P211 HydrophobicContact CD2-CG 4.04Å; P211-S213 PolarHBondContact O-N 2.63Å; P211-L214 PolarHBondContact O-N 3Å
212P88.9Confident86.5Confident79 Ų7969.7 Ų69.751%0.51340%0.403SS..G310 helixtrans-54.5-30.7179.3-26.832.4000114.5G200 L202 L214 C215G200-P212 WeakPolarHBondContact O-CD 3.25Å; L202-P212 HydrophobicContact CD1-CB 3.92Å; L202-P212 HydrophobicContact CD1-CG 3.99Å; L202-P212 HydrophobicContact CG-CG 4.1Å; P212-L214 PolarHBondContact O-N 3.21Å; P212-C215 WeakPolarHBondContact O-CB 3.06Å; P212-C215 PolarHBondContact O-N 3.32Å
213S88.3Confident86.2Confident98 Ų9875.8 Ų75.869%0.68542%0.424SS*.G310 helixtrans-67.1-19.9176.554.50000114.1P211P211-S213 PolarHBondContact O-N 2.63Å
214L90.5Very high85.9Confident92 Ų9274.8 Ų74.848%0.48242%0.421SS..G310 helixtrans-100.77.7177.2-63-172000112.8V210 P211 P212 P226V210-L214 HydrophobicContact CB-CB 4.11Å; V210-L214 HydrophobicContact CG2-CB 4.36Å; P211-L214 PolarHBondContact O-N 3Å; P212-L214 PolarHBondContact O-N 3.21Å; L214-P226 HydrophobicContact CB-CG 4.3Å; L214-P226 HydrophobicContact CD2-CB 4.12Å; L214-P226 HydrophobicContact CD2-CG 4.38Å; L214-P226 WeakPolarHBondContact O-CG 3.31Å
215C88.6Confident85.6Confident18 Ų1877 Ų7712%0.12244%0.442CS..SBendtrans-69.4134.5171.5-77.90000111.1C179 L202 P212 C217C179-C215 WeakPolarHBondContact CA-SG 3.26Å; C179-C215 HydrophobicContact CB-CB 3.58Å; C179-C215 WeakPolarHBondContact CB-SG 3.34Å; C179-C215 WeakPolarHBondContact SG-CA 3.34Å; C179-C215 WeakPolarHBondContact SG-CB 3.28Å; C179-C215 CovalentContact SG-SG 2.04Å; C179-C215 PolarHBondContact SG-SG 3.36Å; L202-C215 VanDerWaalsContact CD1-SG 3.56Å; P212-C215 WeakPolarHBondContact O-CB 3.06Å; P212-C215 PolarHBondContact O-N 3.32Å; C215-C217 PolarHBondContact O-N 2.97Å
216P86.3Confident85.5Confident33 Ų3376.8 Ų76.821%0.21444%0.441CS..PPolyproline II helixtrans-66134.9173.925.8-31.8000110.5P205 Y224P205-P216 HydrophobicContact CG-CG 3.82Å; P216-Y224 CarbonylContact C-O 3.47Å; P216-Y224 VanDerWaalsContact CA-O 3.22Å; P216-Y224 WeakPolarHBondContact CA-O 3.39Å; P216-Y224 WeakPolarHBondContact CB-O 3.44Å
217C82.8Confident85.2Confident81 Ų8174.9 Ų74.955%0.54746%0.455SS..EExtended strand (participates in β ladder)trans-80144.6176.2-66.90000110.1C215 R223 Y224C215-C217 PolarHBondContact O-N 2.97Å; C217-R223 CarbonylContact O-C 3.45Å; C217-R223 WeakPolarHBondContact O-CA 3.47Å; C217-Y224 PolarHBondContact N-O 3.11Å; C217-Y224 WeakPolarHBondContact O-CB 3.47Å; C217-Y224 PolarHBondContact O-N 3.02Å
218Q80.6Confident84.9Confident134 Ų13476.9 Ų76.963%0.62647%0.467SS*.EExtended strand (participates in β ladder)trans-114.2122.3173.5-172.6169.3-5.900110.4G220 R222Q218-G220 WeakPolarHBondContact CG-O 3.11Å; Q218-G220 PolarHBondContact NE2-O 2.94Å; Q218-G220 VanDerWaalsContact NE2-O 3.13Å; Q218-R222 WeakPolarHBondContact CA-O 3.41Å
219L79.1Confident84.2Confident65 Ų6577.3 Ų77.334%0.3449%0.486SS..EExtended strand (participates in β ladder)trans-121.9106.9172.3-179.666.3000109.1A221 R222 Y224 T230 K232L219-A221 PolarHBondContact O-N 2.96Å; L219-R222 PolarHBondContact N-O 2.89Å; L219-R222 PolarHBondContact O-N 3.36Å; L219-Y224 HydrophobicContact CB-CD2 4.08Å; L219-Y224 HydrophobicContact CB-CE2 3.74Å; L219-T230 WeakPolarHBondContact CD2-OG1 3.44Å; L219-K232 HydrophobicContact CD2-CG 4.43Å
220G78.4Confident83.2Confident65 Ų6579.1 Ų79.167%0.6750%0.497SS*.THydrogen-bonded Turntrans62.9-127.2-169.600000111.3Q218Q218-G220 WeakPolarHBondContact CG-O 3.11Å; Q218-G220 PolarHBondContact NE2-O 2.94Å; Q218-G220 VanDerWaalsContact NE2-O 3.13Å
221A78Confident82Confident103 Ų10387.2 Ų87.285%0.85154%0.536SS*.THydrogen-bonded Turntrans-86.8-4.6176.200000113.8L219L219-A221 PolarHBondContact O-N 2.96Å
222R80.3Confident80.7Confident176 Ų17690.9 Ų90.966%0.66455%0.546SS*.EExtended strand (participates in β ladder)trans-99.5137.1-175.7-73-178177.9173.2-0.5111.6Q218 L219 Y224Q218-R222 WeakPolarHBondContact CA-O 3.41Å; L219-R222 PolarHBondContact N-O 2.89Å; L219-R222 PolarHBondContact O-N 3.36Å; R222-Y224 HydrophobicContact CB-CD2 4.33Å; R222-Y224 HydrophobicContact CB-CE2 3.48Å; R222-Y224 VanDerWaalsContact CB-CE2 3.48Å; R222-Y224 WeakPolarHBondContact O-CD2 3.18Å
223R82.5Confident79.3Confident159 Ų15996.7 Ų96.760%0.657%0.566SS**EExtended strand (participates in β ladder)trans-98.8144172.1-66.5-178.3-177.7172.1-0.4109.9P205 C217P205-R223 VanDerWaalsContact CB-NH1 3.28Å; C217-R223 CarbonylContact O-C 3.45Å; C217-R223 WeakPolarHBondContact O-CA 3.47Å
224Y83.1Confident78.1Confident56 Ų5696.7 Ų96.722%0.2257%0.566CS.*EExtended strand (participates in β ladder)trans-131.6128.2-169.4-75.1-78.4000108.5P216 C217 L219 R222 S228 T230P216-Y224 CarbonylContact C-O 3.47Å; P216-Y224 VanDerWaalsContact CA-O 3.22Å; P216-Y224 WeakPolarHBondContact CA-O 3.39Å; P216-Y224 WeakPolarHBondContact CB-O 3.44Å; C217-Y224 PolarHBondContact N-O 3.11Å; C217-Y224 WeakPolarHBondContact O-CB 3.47Å; C217-Y224 PolarHBondContact O-N 3.02Å; L219-Y224 HydrophobicContact CB-CD2 4.08Å; L219-Y224 HydrophobicContact CB-CE2 3.74Å; R222-Y224 HydrophobicContact CB-CD2 4.33Å; R222-Y224 HydrophobicContact CB-CE2 3.48Å; R222-Y224 VanDerWaalsContact CB-CE2 3.48Å; R222-Y224 WeakPolarHBondContact O-CD2 3.18Å; Y224-S228 VanDerWaalsContact CB-OG 3.3Å; Y224-S228 WeakPolarHBondContact CB-OG 3.43Å; Y224-T230 HydrophobicContact CD1-CG2 3.46Å; Y224-T230 VanDerWaalsContact CD1-CG2 3.46Å; Y224-T230 HydrophobicContact CD2-CG2 4.33Å; Y224-T230 HydrophobicContact CE1-CG2 3.15Å; Y224-T230 HydrophobicContact CE2-CG2 4.09Å; Y224-T230 HydrophobicContact CG-CG2 4.04Å; Y224-T230 VanDerWaalsContact CZ-CG2 3.49Å
225A83.4Confident76.4Confident66 Ų6699 Ų9955%0.54558%0.579SS.*  trans-62.1153.8178.700000111G227 S228A225-G227 PolarHBondContact O-N 3.43Å; A225-S228 PolarHBondContact N-OG 2.86Å; A225-S228 VanDerWaalsContact O-CB 3.31Å; A225-S228 WeakPolarHBondContact O-CB 3.35Å; A225-S228 PolarHBondContact O-N 3.37Å; A225-S228 PolarHBondContact O-OG 3.08Å
226P82.3Confident74.4Confident56 Ų56109.8 Ų109.836%0.36462%0.617SS.*THydrogen-bonded Turntrans-50.9133.8173.9-27.636.4000111.9L214 S228L214-P226 HydrophobicContact CB-CG 4.3Å; L214-P226 HydrophobicContact CD2-CB 4.12Å; L214-P226 HydrophobicContact CD2-CG 4.38Å; L214-P226 WeakPolarHBondContact O-CG 3.31Å; P226-S228 VanDerWaalsContact C-N 3.27Å; P226-S228 PolarHBondContact O-N 3.27Å
227G80.1Confident72.3Confident88 Ų88123 Ų12391%0.90766%0.662SS**THydrogen-bonded Turntrans78.9-1.7-179.200000115.8A225A225-G227 PolarHBondContact O-N 3.43Å
228S80.9Confident71.7Confident59 Ų59125.1 Ų125.141%0.41367%0.668SS.*  trans-72.7144.2174.262.20000112.3Y224 A225 P226Y224-S228 VanDerWaalsContact CB-OG 3.3Å; Y224-S228 WeakPolarHBondContact CB-OG 3.43Å; A225-S228 PolarHBondContact N-OG 2.86Å; A225-S228 VanDerWaalsContact O-CB 3.31Å; A225-S228 WeakPolarHBondContact O-CB 3.35Å; A225-S228 PolarHBondContact O-N 3.37Å; A225-S228 PolarHBondContact O-OG 3.08Å; P226-S228 VanDerWaalsContact C-N 3.27Å; P226-S228 PolarHBondContact O-N 3.27Å
229A77.4Confident71.3Confident103 Ų103124.6 Ų124.685%0.85167%0.67SS**  trans-111.9137.1178.900000110.5
230T70.9Confident70.8Confident58 Ų58127.9 Ų127.936%0.35669%0.689SS.*  trans-125130.7175.970.30000109.6L219 Y224 K232L219-T230 WeakPolarHBondContact CD2-OG1 3.44Å; Y224-T230 HydrophobicContact CD1-CG2 3.46Å; Y224-T230 VanDerWaalsContact CD1-CG2 3.46Å; Y224-T230 HydrophobicContact CD2-CG2 4.33Å; Y224-T230 HydrophobicContact CE1-CG2 3.15Å; Y224-T230 HydrophobicContact CE2-CG2 4.09Å; Y224-T230 HydrophobicContact CG-CG2 4.04Å; Y224-T230 VanDerWaalsContact CZ-CG2 3.49Å; T230-K232 PolarHBondContact O-N 3.05Å
231M68.1Low70.4Confident190 Ų190131.6 Ų131.694%0.93669%0.69SS**  trans-74.5114.5168.6-74.2-175.4-73.100109
232K63.4Low69.9Low129 Ų129133.4 Ų133.456%0.56168%0.68SS**  trans-77.5134.7156.1-82.7-176.7173.81790107.2L219 T230 C234 N235L219-K232 HydrophobicContact CD2-CG 4.43Å; T230-K232 PolarHBondContact O-N 3.05Å; K232-C234 PolarHBondContact O-N 3.2Å; K232-N235 PolarHBondContact O-N 3.31Å
233E60.9Low69.2Low201 Ų201130.6 Ų130.694%0.93968%0.681SS**THydrogen-bonded Turntrans-64.326.4-180-66-175.9151.600114.6
234C61.9Low68.3Low99 Ų99128.6 Ų128.667%0.66969%0.686SS**THydrogen-bonded Turntrans-117.22.1179-55.90000113.9K232K232-C234 PolarHBondContact O-N 3.2Å
235N56Low67.1Low141 Ų141134.2 Ų134.275%0.75472%0.722SS**  trans-107.427.9179.5-70.6-0.9000113.7K232 W237K232-N235 PolarHBondContact O-N 3.31Å; N235-W237 PolarHBondContact O-N 3.43Å
236R45Very low65.8Low244 Ų244139.8 Ų139.892%0.92174%0.737SS**  trans-91.494.3161.4-80.2-172.6175.2-175.3-0.3107.8
237W42.3Very low64.3Low310 Ų310147.5 Ų147.5100%1.17477%0.771SS**  trans-96.80162.9-71.351.6000107.4N235N235-W237 PolarHBondContact O-N 3.43Å

Retrieved 237 of 237 residues in 49.1 ms (Link to these results)