A0A087WYD2_HUMAN Loading...

Zn regulated GTPase metalloprotein activator 1C

AlphaFold DB , UniProt , Accession A0A087WYD2, Species HUMAN (Homo sapiens, Human), Gene ZNG1C, Length 182 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low39Very low248 Ų248142.3 Ų142.3100%1.22283%0.825SS**  0145.70-134134.2177.200107
2L29.8Very low39.3Very low173 Ų173145.2 Ų145.291%0.90683%0.825SS**  trans-49.4162.8-157.9-78155.2000118.2
3P50.8Low39.1Very low117 Ų117146.8 Ų146.876%0.7683%0.83SS**  trans-99.5178.4-158.141.8-36.1000113.8
4A35.5Very low39.4Very low92 Ų92144.6 Ų144.676%0.7683%0.825SS**  trans-157.7103.8151.100000107.9
5V39.1Very low39.9Very low146 Ų146140.1 Ų140.189%0.88581%0.812SS**  72.612692.9111.20000113
6G33.7Very low40.8Very low68 Ų68143.9 Ų143.970%0.70182%0.82SS**  trans166.260.2179.200000107.9V8G6-V8 PolarHBondContact O-N 2.78Å
7S38Very low41.2Very low81 Ų81145.7 Ų145.757%0.56682%0.82SS**  trans-56.6122.4162.241.50000107.3D9S7-D9 WeakPolarHBondContact CB-OD2 3.36Å; S7-D9 PolarHBondContact O-N 3.45Å; S7-D9 VanDerWaalsContact O-N 3.16Å; S7-D9 PolarHBondContact OG-OD2 2.77Å
8V38.3Very low41.8Very low146 Ų146146.4 Ų146.489%0.88582%0.821SS**  trans-80.288.8158.3-175.70000103.4G6 E10G6-V8 PolarHBondContact O-N 2.78Å; V8-E10 PolarHBondContact O-N 2.87Å
9D36.8Very low42.1Very low118 Ų118144.8 Ų144.863%0.63182%0.819SS**  trans-67.6124.7170.9-69.9-57.6000107.4S7 E11S7-D9 WeakPolarHBondContact CB-OD2 3.36Å; S7-D9 PolarHBondContact O-N 3.45Å; S7-D9 VanDerWaalsContact O-N 3.16Å; S7-D9 PolarHBondContact OG-OD2 2.77Å; D9-E11 PolarHBondContact O-N 2.96Å
10E47.9Very low43.1Very low192 Ų192143.5 Ų143.590%0.89782%0.816SS**  trans-62.498.2167.9-66.5176.1154.600107.4V8V8-E10 PolarHBondContact O-N 2.87Å
11E43.3Very low44Very low184 Ų184145.4 Ų145.486%0.8682%0.819SS**  trans-9098.7163.7-72.2-166.1165.600108D9 D13D9-E11 PolarHBondContact O-N 2.96Å; E11-D13 PolarHBondContact O-N 3.21Å
12E43Very low45Very low177 Ų177141.4 Ų141.483%0.82780%0.801SS**  trans-58.9114.9160.9-66.8-178.9148.600108.4P14E12-P14 WeakPolarHBondContact O-CD 3.15Å
13D37.1Very low46.6Very low167 Ų167139.3 Ų139.389%0.89380%0.795SS**  trans-68.8111.2171.1-115.2-34.9000108.9E11E11-D13 PolarHBondContact O-N 3.21Å
14P42.4Very low46.5Very low116 Ų116138.9 Ų138.975%0.75379%0.793SS**  trans-111.585.9-178.132.5-12.9000108.8E12E12-P14 WeakPolarHBondContact O-CD 3.15Å
15A47.5Very low47.7Very low77 Ų77142 Ų14264%0.63680%0.795SS**  trans163.473.3154.700000110.5E17A15-E17 HydrophobicContact CB-CG 4.32Å; A15-E17 PolarHBondContact O-N 3.06Å; A15-E17 VanDerWaalsContact O-N 3.11Å
16E53.8Low48.1Very low200 Ų200143 Ų14394%0.93579%0.79SS**  trans-73.783.7139.4-67.6-150.5164.900106D18E16-D18 PolarHBondContact O-N 2.98Å
17E47.5Very low48.4Very low175 Ų175145.7 Ų145.782%0.81879%0.793SS**  trans-62.9103.4164.4-84.4-175.8154.900106.8A15 C19A15-E17 HydrophobicContact CB-CG 4.32Å; A15-E17 PolarHBondContact O-N 3.06Å; A15-E17 VanDerWaalsContact O-N 3.11Å; E17-C19 PolarHBondContact O-N 2.99Å
18D51.9Low48.5Very low158 Ų158147.3 Ų147.385%0.84580%0.8SS**  trans-39.7109170.1-105.1-37000109.6E16 P20E16-D18 PolarHBondContact O-N 2.98Å; D18-P20 VanDerWaalsContact O-CD 3.25Å; D18-P20 WeakPolarHBondContact O-CD 3.25Å; D18-P20 VanDerWaalsContact O-N 3.12Å
19C47.3Very low49.1Very low116 Ų116149.4 Ų149.478%0.78480%0.8SS**PPolyproline II helixtrans-57.9117.1161.8-75.60000106.4E17 E21E17-C19 PolarHBondContact O-N 2.99Å; C19-E21 PolarHBondContact O-N 3.31Å
20P62.7Low49.3Very low118 Ų118147.2 Ų147.277%0.76679%0.794SS**PPolyproline II helixtrans-59.8121.9178.222.8-31.3000108.7D18 L22D18-P20 VanDerWaalsContact O-CD 3.25Å; D18-P20 WeakPolarHBondContact O-CD 3.25Å; D18-P20 VanDerWaalsContact O-N 3.12Å; P20-L22 PolarHBondContact O-N 3.25Å
21E62.6Low49Very low185 Ų185146.9 Ų146.986%0.86479%0.792SS**PPolyproline II helixtrans-61.8126.8176.9-163.8171.7-168.200108.4C19 V23C19-E21 PolarHBondContact O-N 3.31Å; E21-V23 PolarHBondContact O-N 3.34Å
22L55.8Low48.9Very low163 Ų163147.7 Ų147.785%0.85380%0.796SS**  trans-61.1111.7179.6-67.4175.4000108.4P20 P24P20-L22 PolarHBondContact O-N 3.25Å; L22-P24 WeakPolarHBondContact O-CD 3.48Å
23V64.2Low49Very low129 Ų129148.2 Ų148.278%0.78280%0.798SS**  trans-64.1121173.7-166.50000107.3E21 I25E21-V23 PolarHBondContact O-N 3.34Å; V23-I25 PolarHBondContact O-N 3.03Å
24P49Very low49.3Very low108 Ų108149.7 Ų149.770%0.70180%0.8SS**  trans-62.3125.5172.524.5-30000107.7L22 E26L22-P24 WeakPolarHBondContact O-CD 3.48Å; P24-E26 PolarHBondContact O-N 2.98Å
25I60.1Low49.1Very low157 Ų157153.8 Ų153.881%0.80581%0.806SS**  trans-65.3106.8167.8-57.4167000104.9V23 T27V23-I25 PolarHBondContact O-N 3.03Å; I25-T27 PolarHBondContact O-N 3.11Å
26E46.4Very low49Very low169 Ų169153 Ų15379%0.7980%0.796SS**  trans-56.6110.7167-69.9-174.6163.400106.3P24 T28P24-E26 PolarHBondContact O-N 2.98Å; E26-T28 PolarHBondContact O-N 2.98Å; E26-T28 PolarHBondContact O-OG1 3.43Å
27T41.4Very low48.7Very low124 Ų124147 Ų14776%0.76179%0.788SS**  trans-66.182.5167.6180000107I25 Q29I25-T27 PolarHBondContact O-N 3.11Å; T27-Q29 PolarHBondContact O-N 3.41Å
28T39.3Very low48.7Very low115 Ų115147.7 Ų147.771%0.70680%0.796SS**  trans-59.986.2152.24.10000106.2E26 S30E26-T28 PolarHBondContact O-N 2.98Å; E26-T28 PolarHBondContact O-OG1 3.43Å; T28-S30 PolarHBondContact O-N 3.44Å
29Q51.4Low48.8Very low190 Ų190143.1 Ų143.189%0.88879%0.786SS**  trans-62.782.5156.6-70.3-179.9-2000106.5T27T27-Q29 PolarHBondContact O-N 3.41Å
30S40Very low50.2Low72 Ų72140.1 Ų140.150%0.50377%0.77SS.*  trans-158.6101.1169.351.20000108.4T28T28-S30 PolarHBondContact O-N 3.44Å
31E42.8Very low51.4Low185 Ų185138.8 Ų138.886%0.86475%0.752SS**SBendtrans79.158.3145.5-53.4174.6-176.800117.9
32E41.2Very low52.7Low200 Ų200130.6 Ų130.694%0.93571%0.714SS**  trans-129.217.6150.3-69.7-168.6173.100113
33E44Very low54.5Low188 Ų188123.5 Ų123.588%0.87968%0.677SS**SBendtrans-88.4121.8157.7-70.2-176.5163.100107.1
34E43.1Very low55.9Low198 Ų198117.3 Ų117.393%0.92564%0.64SS**  trans96.361.1-175.9-54-148157.400118.7
35K39.8Very low58Low202 Ų202113 Ų11388%0.87861%0.612SS**  trans-144.1122.1136.6-109.2-178.2178.1175.80106.7
36S43.7Very low59.5Low61 Ų61105.5 Ų105.543%0.42757%0.573SS.*  cis-170.1129.112.650.40000108.8A40S36-A40 WeakPolarHBondContact OG-CB 3.44Å; S36-A40 PolarHBondContact OG-N 2.71Å
37G47.8Very low61.7Low75 Ų7597.6 Ų97.677%0.77354%0.536SS*.SBendtrans-62.9139.6150.900000109.5
38L47.9Very low64.1Low188 Ų18891.7 Ų91.798%0.98450%0.5SS*.SBendtrans46.677.1171.4-92.367.6000114.9
39G55.1Low66.5Low62 Ų6286.2 Ų86.264%0.63947%0.466SS*.  trans153.4-7.116900000116.6K41G39-K41 PolarHBondContact O-N 3.36Å
40A76.6Confident68.2Low53 Ų5382.2 Ų82.244%0.43844%0.444SS..PPolyproline II helixtrans-67128173.900000110.5S36S36-A40 WeakPolarHBondContact OG-CB 3.44Å; S36-A40 PolarHBondContact OG-N 2.71Å
41K87Confident70.3Confident91 Ų9185.4 Ų85.440%0.39646%0.455SS..PPolyproline II helixtrans-67.9145.6166.6-62.6-172.7173.2-1520109.4G39 S158 D159 Y161G39-K41 PolarHBondContact O-N 3.36Å; K41-S158 VanDerWaalsContact CE-O 3.23Å; K41-S158 WeakPolarHBondContact CE-O 3.06Å; K41-S158 PolarHBondContact NZ-O 2.98Å; K41-S158 VanDerWaalsContact NZ-O 3.15Å; K41-D159 CarbonylContact C-O 3.57Å; K41-D159 VanDerWaalsContact CA-O 3.25Å; K41-D159 WeakPolarHBondContact CA-O 3.48Å; K41-Y161 HydrophobicContact CB-CD1 3.6Å; K41-Y161 HydrophobicContact CB-CE1 4.18Å
42I91.1Very high72.2Confident12 Ų1279.6 Ų79.66%0.06244%0.444CS..EExtended strand (participates in β ladder)trans-84125177.7-52.4-178.5000109.2M124 K127 F130 I133 D159 I160 Y161I42-M124 HydrophobicContact CD1-CE 3.81Å; I42-M124 HydrophobicContact CD1-SD 3.85Å; I42-M124 HydrophobicContact CG1-CE 4.45Å; I42-K127 HydrophobicContact CD1-CG 4.19Å; I42-F130 HydrophobicContact CD1-CD2 4.1Å; I42-F130 HydrophobicContact CD1-CE2 3.35Å; I42-F130 HydrophobicContact CD1-CZ 3.81Å; I42-F130 HydrophobicContact CG2-CD2 4.18Å; I42-F130 HydrophobicContact CG2-CE2 3.97Å; I42-I133 HydrophobicContact CG2-CD1 4.21Å; I42-I133 HydrophobicContact CG2-CG1 3.91Å; I42-D159 PolarHBondContact N-O 3.46Å; I42-I160 HydrophobicContact CB-CG2 4.22Å; I42-I160 CarbonylContact O-C 3.55Å; I42-I160 WeakPolarHBondContact O-CA 3.41Å; I42-Y161 PolarHBondContact O-N 2.89Å
43P93.4Very high74.5Confident14 Ų1470.8 Ų70.89%0.09141%0.406CS..EExtended strand (participates in β ladder)trans-67.5138.317527.5-34.2000111D131 D132 I133 Y161 D163P43-D131 WeakPolarHBondContact CD-O 3.34Å; P43-D132 HydrophobicContact CG-CB 4.41Å; P43-D132 WeakPolarHBondContact CG-OD1 3.46Å; P43-I133 PolarHBondContact O-N 2.88Å; P43-Y161 CarbonylContact C-O 3.57Å; P43-Y161 HydrophobicContact CB-CE1 3.82Å; P43-Y161 HydrophobicContact CB-CE2 4.35Å; P43-D163 HydrophobicContact CB-CB 3.69Å
44V92.1Very high76.7Confident0 Ų063.3 Ų63.30%038%0.379CS..EExtended strand (participates in β ladder)trans-112.3119.4170.3-1750000108I120 I133 L135 F150 I160 Y161 D163V44-I120 HydrophobicContact CG1-CD1 4.44Å; V44-I133 WeakPolarHBondContact CA-O 3.09Å; V44-I133 HydrophobicContact CB-CB 4.49Å; V44-I133 HydrophobicContact CG1-CB 4.41Å; V44-I133 HydrophobicContact CG1-CG2 4.16Å; V44-I133 HydrophobicContact CG2-CB 4.1Å; V44-I133 HydrophobicContact CG2-CD1 4.18Å; V44-I133 HydrophobicContact CG2-CG2 4.44Å; V44-L135 HydrophobicContact CG1-CB 4.48Å; V44-F150 HydrophobicContact CB-CE1 4.1Å; V44-F150 HydrophobicContact CB-CZ 4.37Å; V44-F150 HydrophobicContact CG1-CE1 3.89Å; V44-F150 HydrophobicContact CG1-CE2 4.43Å; V44-F150 HydrophobicContact CG1-CZ 3.69Å; V44-F150 HydrophobicContact CG2-CD1 4.45Å; V44-F150 HydrophobicContact CG2-CE1 3.88Å; V44-I160 HydrophobicContact CG2-CB 4.06Å; V44-I160 HydrophobicContact CG2-CD1 4.25Å; V44-Y161 PolarHBondContact N-O 3.46Å; V44-D163 PolarHBondContact O-N 3.19Å
45T93.8Very high79Confident17 Ų1754.4 Ų54.410%0.10434%0.337CS..EExtended strand (participates in β ladder)trans-105.3129.6171.5-66.50000109.5I133 L134 L135 D163 G164 I166T45-I133 PolarHBondContact N-O 2.96Å; T45-L134 HydrophobicContact CG2-CD1 3.75Å; T45-L134 WeakPolarHBondContact O-CA 3.19Å; T45-L135 PolarHBondContact O-N 3.46Å; T45-D163 PolarHBondContact OG1-OD2 3.4Å; T45-G164 WeakPolarHBondContact CA-O 3.47Å; T45-I166 HydrophobicContact CG2-CD1 3.61Å; T45-I166 HydrophobicContact CG2-CG1 3.82Å
46I92.3Very high81.2Confident0 Ų048.3 Ų48.30%032%0.317CS..EExtended strand (participates in β ladder)trans-90.7126.9173.4-64.3172.9000108.4L135 T137 P143 V146 A147 F150 L162 G164 I165 I166I46-L135 CarbonylContact C-O 3.58Å; I46-L135 WeakPolarHBondContact CA-O 3.23Å; I46-T137 HydrophobicContact CG2-CG2 3.67Å; I46-P143 HydrophobicContact CG2-CB 4.47Å; I46-V146 HydrophobicContact CD1-CB 4.23Å; I46-V146 HydrophobicContact CD1-CG1 3.8Å; I46-V146 HydrophobicContact CG1-CG1 4.47Å; I46-A147 HydrophobicContact CD1-CB 4.19Å; I46-F150 HydrophobicContact CD1-CE2 4.24Å; I46-L162 HydrophobicContact CD1-CD1 3.66Å; I46-L162 HydrophobicContact CG1-CD1 3.86Å; I46-G164 PolarHBondContact N-O 2.87Å; I46-I165 HydrophobicContact CB-CG1 4.19Å; I46-I165 HydrophobicContact CB-CG2 4.39Å; I46-I165 HydrophobicContact CD1-CG1 4.25Å; I46-I165 HydrophobicContact CG2-CG2 4.29Å; I46-I165 CarbonylContact O-C 3.54Å; I46-I165 WeakPolarHBondContact O-CA 3.27Å; I46-I166 PolarHBondContact O-N 3.02Å
47I93.1Very high83.4Confident2 Ų250.5 Ų50.51%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-101.2124.3167.3-65.1-174.7000108.9K55 L58 L59 L134 L135 T137 I166 I168I47-K55 HydrophobicContact CG2-CB 4.43Å; I47-K55 HydrophobicContact CG2-CD 4.17Å; I47-K55 HydrophobicContact CG2-CG 4.11Å; I47-L58 HydrophobicContact CD1-CD2 3.97Å; I47-L59 HydrophobicContact CD1-CD2 3.88Å; I47-L134 HydrophobicContact CD1-CD1 3.58Å; I47-L134 HydrophobicContact CD1-CD2 3.54Å; I47-L134 HydrophobicContact CD1-CG 3.64Å; I47-L134 HydrophobicContact CG1-CD1 3.66Å; I47-L134 HydrophobicContact CG1-CD2 4.45Å; I47-L134 HydrophobicContact CG1-CG 4.01Å; I47-L135 PolarHBondContact N-O 3.45Å; I47-T137 PolarHBondContact O-N 3.37Å; I47-T137 PolarHBondContact O-OG1 3.43Å; I47-I166 WeakPolarHBondContact CA-O 3.49Å; I47-I166 HydrophobicContact CG1-CB 4.47Å; I47-I168 HydrophobicContact CG2-CD1 3.92Å; I47-I168 HydrophobicContact CG2-CG1 4.23Å
48T90.9Very high85.6Confident0 Ų050 Ų500%031%0.308CS..EExtended strand (participates in β ladder)trans-129.6171173.4-165.90000110.6T137 P143 I165 I166 T167 I168 W180T48-T137 WeakPolarHBondContact CA-OG1 3.35Å; T48-T137 WeakPolarHBondContact CB-OG1 3.47Å; T48-T137 PolarHBondContact OG1-OG1 3.46Å; T48-P143 HydrophobicContact CG2-CB 4.22Å; T48-P143 HydrophobicContact CG2-CG 4.23Å; T48-I165 HydrophobicContact CG2-CG2 4.03Å; T48-I166 PolarHBondContact N-O 3.44Å; T48-T167 HydrophobicContact CG2-CG2 4.27Å; T48-T167 WeakPolarHBondContact CG2-OG1 3.43Å; T48-I168 PolarHBondContact O-N 3.03Å; T48-W180 HydrophobicContact CG2-CZ2 4.31Å
49G89Confident87.6Confident0 Ų041 Ų410%026%0.261CS..EExtended strand (participates in β ladder)trans157143.3-172.200000110.7K55 G139 I168 W180G49-K55 PolarHBondContact O-NZ 3.04Å; G49-G139 WeakPolarHBondContact O-CA 3.18Å; G49-I168 VanDerWaalsContact CA-O 3.26Å; G49-I168 WeakPolarHBondContact CA-O 3.45Å; G49-W180 VanDerWaalsContact CA-CH2 3.44Å
50Y87.2Confident89.3Confident106 Ų10640.8 Ų40.842%0.41625%0.245SC..  trans-57.2161.6175.1-166.4-114.7000112.3G52 A53 K55 L140 A177 W180Y50-G52 PolarHBondContact O-N 3.16Å; Y50-A53 VanDerWaalsContact O-CB 3.25Å; Y50-A53 WeakPolarHBondContact O-CB 3.25Å; Y50-A53 PolarHBondContact O-N 3.05Å; Y50-A53 VanDerWaalsContact O-N 3.09Å; Y50-K55 PolarHBondContact O-NZ 2.82Å; Y50-L140 HydrophobicContact CE2-CD2 4.27Å; Y50-A177 HydrophobicContact CD1-CB 4.26Å; Y50-A177 HydrophobicContact CD2-CB 4.36Å; Y50-A177 HydrophobicContact CG-CB 4.11Å; Y50-W180 HydrophobicContact CD2-CB 3.98Å; Y50-W180 AromaticContact CD2-CG 3.99Å; Y50-W180 HydrophobicContact CD2-CG 3.99Å
51L84.1Confident90Very high139 Ų13944.9 Ų44.973%0.72825%0.25SC*.THydrogen-bonded Turntrans-59.2129.6176.4-173.964.7000109.9
52G84.3Confident90.3Very high63 Ų6342 Ų4265%0.64924%0.238SC*.THydrogen-bonded Turntrans85.40.1-177.300000115.6Y50 G54Y50-G52 PolarHBondContact O-N 3.16Å; G52-G54 PolarHBondContact O-N 3.46Å; G52-G54 VanDerWaalsContact O-N 3.08Å
53A88.8Confident90.2Very high16 Ų1641.5 Ų41.513%0.13224%0.236CC..SBendtrans-66.9-8179.400000115.3Y50 I168Y50-A53 VanDerWaalsContact O-CB 3.25Å; Y50-A53 WeakPolarHBondContact O-CB 3.25Å; Y50-A53 PolarHBondContact O-N 3.05Å; Y50-A53 VanDerWaalsContact O-N 3.09Å; A53-I168 HydrophobicContact CB-CB 4.36Å; A53-I168 HydrophobicContact CB-CG2 4.21Å; A53-I168 VanDerWaalsContact CB-O 3.31Å; A53-I168 WeakPolarHBondContact CB-O 3.08Å; A53-I168 WeakPolarHBondContact O-CG2 3.32Å
54G89.8Confident90Very high30 Ų3043.8 Ų43.831%0.30925%0.25SC..SBendtrans97.611.1-179.500000115.5G52 T56 T57 L58G52-G54 PolarHBondContact O-N 3.46Å; G52-G54 VanDerWaalsContact O-N 3.08Å; G54-T56 PolarHBondContact O-N 3.22Å; G54-T57 WeakPolarHBondContact O-CB 3.48Å; G54-T57 PolarHBondContact O-N 3.15Å; G54-L58 PolarHBondContact O-N 2.84Å; G54-L58 VanDerWaalsContact O-N 3.1Å
55K90.9Very high89.9Confident11 Ų1148.3 Ų48.35%0.04827%0.271CS..Hα-helixtrans-48.3-53.4174.9-62.1-171.5-58.7-66.10112.9I47 G49 Y50 T57 L58 L59 E136 I168I47-K55 HydrophobicContact CG2-CB 4.43Å; I47-K55 HydrophobicContact CG2-CD 4.17Å; I47-K55 HydrophobicContact CG2-CG 4.11Å; G49-K55 PolarHBondContact O-NZ 3.04Å; Y50-K55 PolarHBondContact O-NZ 2.82Å; K55-T57 PolarHBondContact O-N 3.12Å; K55-L58 WeakPolarHBondContact O-CB 3.3Å; K55-L58 PolarHBondContact O-N 2.9Å; K55-L58 VanDerWaalsContact O-N 3.11Å; K55-L59 WeakPolarHBondContact O-CG 3.27Å; K55-L59 PolarHBondContact O-N 3.47Å; K55-E136 HydrophobicContact CD-CG 4.46Å; K55-E136 VanDerWaalsContact CE-OE1 3.28Å; K55-E136 WeakPolarHBondContact CE-OE1 3.37Å; K55-I168 HydrophobicContact CB-CD1 4.27Å; K55-I168 HydrophobicContact CG-CB 4.41Å; K55-I168 HydrophobicContact CG-CD1 3.92Å; K55-I168 HydrophobicContact CG-CG1 4.4Å
56T87.6Confident89.7Confident74 Ų7456 Ų5645%0.45431%0.305SS..Hα-helixtrans-60.8-34.1-179.4-45.50000112.4G54 L59 N60 L84G54-T56 PolarHBondContact O-N 3.22Å; T56-L59 PolarHBondContact O-N 3.41Å; T56-N60 VanDerWaalsContact O-CB 3.31Å; T56-N60 WeakPolarHBondContact O-CB 3.49Å; T56-N60 PolarHBondContact O-N 2.85Å; T56-L84 HydrophobicContact CG2-CB 4.06Å; T56-L84 HydrophobicContact CG2-CD1 4.48Å; T56-L84 HydrophobicContact CG2-CD2 4.17Å; T56-L84 HydrophobicContact CG2-CG 4.48Å
57T90.1Very high89.6Confident108 Ų10858.6 Ų58.666%0.66332%0.318SS*.Hα-helixtrans-66.2-44.1175.9-55.20000111.2G54 K55 N60 Y61G54-T57 WeakPolarHBondContact O-CB 3.48Å; G54-T57 PolarHBondContact O-N 3.15Å; K55-T57 PolarHBondContact O-N 3.12Å; T57-N60 PolarHBondContact O-N 2.8Å; T57-Y61 PolarHBondContact O-N 3.49Å; T57-Y61 VanDerWaalsContact O-N 3.07Å
58L92Very high89.3Confident64 Ų6464.9 Ų64.934%0.33536%0.361SS..Hα-helixtrans-62.8-46.1174.9177.361.2000111.5I47 G54 K55 N60 Y61 I62 I168I47-L58 HydrophobicContact CD1-CD2 3.97Å; G54-L58 PolarHBondContact O-N 2.84Å; G54-L58 VanDerWaalsContact O-N 3.1Å; K55-L58 WeakPolarHBondContact O-CB 3.3Å; K55-L58 PolarHBondContact O-N 2.9Å; K55-L58 VanDerWaalsContact O-N 3.11Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.48Å; L58-Y61 WeakPolarHBondContact O-CB 3.36Å; L58-Y61 PolarHBondContact O-N 2.81Å; L58-I62 HydrophobicContact CD1-CD1 4.2Å; L58-I62 HydrophobicContact CG-CD1 4.08Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.1Å; L58-I168 HydrophobicContact CB-CD1 4.16Å; L58-I168 HydrophobicContact CD2-CD1 3.57Å; L58-I168 HydrophobicContact CD2-CG1 4.49Å
59L91.7Very high89.2Confident0 Ų070.3 Ų70.30%039%0.385CS..Hα-helixtrans-63.3-40.9179.1-67174.3000111.8I47 K55 T56 Y61 I62 L63 V73 L75 L84 L134 E136I47-L59 HydrophobicContact CD1-CD2 3.88Å; K55-L59 WeakPolarHBondContact O-CG 3.27Å; K55-L59 PolarHBondContact O-N 3.47Å; T56-L59 PolarHBondContact O-N 3.41Å; L59-Y61 VanDerWaalsContact C-N 3.33Å; L59-Y61 PolarHBondContact O-N 3.15Å; L59-I62 PolarHBondContact O-N 3.42Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 2.88Å; L59-V73 HydrophobicContact CD2-CG1 3.87Å; L59-L75 HydrophobicContact CD1-CD2 3.57Å; L59-L84 HydrophobicContact CB-CD2 3.73Å; L59-L134 HydrophobicContact CD2-CD2 3.42Å; L59-L134 VanDerWaalsContact CD2-CD2 3.42Å; L59-L134 HydrophobicContact CD2-CG 4.15Å; L59-E136 HydrophobicContact CD1-CB 3.88Å; L59-E136 HydrophobicContact CD1-CG 3.82Å
60N89.7Confident89.4Confident57 Ų5774.9 Ų74.931%0.30540%0.402SS..Hα-helixtrans-60.3-45.2174.7-174.578.4000111.3T56 T57 L58 I62 L63 T64 L84T56-N60 VanDerWaalsContact O-CB 3.31Å; T56-N60 WeakPolarHBondContact O-CB 3.49Å; T56-N60 PolarHBondContact O-N 2.85Å; T57-N60 PolarHBondContact O-N 2.8Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.48Å; N60-I62 VanDerWaalsContact C-N 3.33Å; N60-I62 PolarHBondContact O-N 3.1Å; N60-L63 PolarHBondContact O-N 2.82Å; N60-L63 VanDerWaalsContact O-N 3.16Å; N60-T64 WeakPolarHBondContact O-CG2 3.38Å; N60-T64 PolarHBondContact O-N 3.49Å; N60-T64 PolarHBondContact O-OG1 2.88Å; N60-L84 HydrophobicContact CB-CD1 3.74Å; N60-L84 WeakPolarHBondContact OD1-CD1 3.41Å
61Y92.1Very high89.7Confident139 Ų13970.4 Ų70.455%0.54539%0.386SS..Hα-helixtrans-56.7-47.2176.6177.3-90.7000111.7T57 L58 L59 L63 T64 E65T57-Y61 PolarHBondContact O-N 3.49Å; T57-Y61 VanDerWaalsContact O-N 3.07Å; L58-Y61 WeakPolarHBondContact O-CB 3.36Å; L58-Y61 PolarHBondContact O-N 2.81Å; L59-Y61 VanDerWaalsContact C-N 3.33Å; L59-Y61 PolarHBondContact O-N 3.15Å; Y61-L63 VanDerWaalsContact C-N 3.34Å; Y61-L63 PolarHBondContact O-N 3.34Å; Y61-T64 PolarHBondContact O-N 3.1Å; Y61-E65 HydrophobicContact CD2-CB 4.4Å; Y61-E65 HydrophobicContact CD2-CG 3.56Å; Y61-E65 HydrophobicContact CE2-CB 4.2Å; Y61-E65 HydrophobicContact CE2-CG 3.54Å; Y61-E65 HydrophobicContact CG-CG 4.15Å; Y61-E65 VanDerWaalsContact O-CB 3.25Å; Y61-E65 WeakPolarHBondContact O-CB 3.46Å; Y61-E65 WeakPolarHBondContact O-CG 3.45Å; Y61-E65 PolarHBondContact O-N 3.09Å
62I92.4Very high90.2Very high30 Ų3063.8 Ų63.815%0.15435%0.351CS..Hα-helixtrans-61.3-43.2176.5-65.8167.2000110.8L58 L59 N60 T64 H67 V71 V73 N105 L134L58-I62 HydrophobicContact CD1-CD1 4.2Å; L58-I62 HydrophobicContact CG-CD1 4.08Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.1Å; L59-I62 PolarHBondContact O-N 3.42Å; N60-I62 VanDerWaalsContact C-N 3.33Å; N60-I62 PolarHBondContact O-N 3.1Å; I62-T64 PolarHBondContact O-N 3.14Å; I62-H67 PolarHBondContact O-NE2 3.4Å; I62-V71 HydrophobicContact CG2-CB 4.14Å; I62-V71 HydrophobicContact CG2-CG1 4.24Å; I62-V71 HydrophobicContact CG2-CG2 4.25Å; I62-V73 HydrophobicContact CG2-CG2 4.47Å; I62-N105 PolarHBondContact O-ND2 2.83Å; I62-N105 VanDerWaalsContact O-ND2 3.1Å; I62-L134 HydrophobicContact CD1-CD2 3.55Å
63L90.2Very high90.5Very high2 Ų260.8 Ų60.81%0.0132%0.32CS..Hα-helixtrans-74.9-23.2-176.4-71.1177.2000113.7L59 N60 Y61 V73 L84 L88 L103 N105 C107 C109L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 2.88Å; N60-L63 PolarHBondContact O-N 2.82Å; N60-L63 VanDerWaalsContact O-N 3.16Å; Y61-L63 VanDerWaalsContact C-N 3.34Å; Y61-L63 PolarHBondContact O-N 3.34Å; L63-V73 HydrophobicContact CD1-CB 4.27Å; L63-V73 HydrophobicContact CD1-CG1 4.34Å; L63-V73 HydrophobicContact CD1-CG2 4.34Å; L63-V73 HydrophobicContact CD2-CB 3.87Å; L63-V73 HydrophobicContact CD2-CG2 3.41Å; L63-V73 VanDerWaalsContact CD2-CG2 3.41Å; L63-V73 HydrophobicContact CG-CB 4.39Å; L63-V73 HydrophobicContact CG-CG2 3.94Å; L63-L84 HydrophobicContact CD1-CD2 4.04Å; L63-L84 HydrophobicContact CD1-CG 4.43Å; L63-L88 HydrophobicContact CB-CD1 4.02Å; L63-L88 HydrophobicContact CD1-CD1 3.48Å; L63-L88 VanDerWaalsContact CD1-CD1 3.48Å; L63-L88 HydrophobicContact CG-CD1 4.35Å; L63-L103 HydrophobicContact CB-CD1 3.51Å; L63-L103 HydrophobicContact CD2-CD1 3.6Å; L63-L103 HydrophobicContact CG-CD1 4.04Å; L63-L103 WeakPolarHBondContact O-CD1 3.24Å; L63-N105 PolarHBondContact O-ND2 3.34Å; L63-N105 VanDerWaalsContact O-ND2 3.15Å; L63-N105 PolarHBondContact O-OD1 3.08Å; L63-C107 HydrophobicContact CD2-CB 3.84Å; L63-C109 HydrophobicContact CD1-CB 4.02Å; L63-C109 HydrophobicContact CD2-CB 4.09Å
64T87.5Confident90.6Very high62 Ų6260 Ų6038%0.3831%0.314SS..Hα-helixtrans-108.1-30-175.562.80000114.9N60 Y61 I62 L88N60-T64 WeakPolarHBondContact O-CG2 3.38Å; N60-T64 PolarHBondContact O-N 3.49Å; N60-T64 PolarHBondContact O-OG1 2.88Å; Y61-T64 PolarHBondContact O-N 3.1Å; I62-T64 PolarHBondContact O-N 3.14Å; T64-L88 HydrophobicContact CG2-CD2 3.69Å
65E91.4Very high90.4Very high94 Ų9458.6 Ų58.644%0.43930%0.3SS..SBendtrans-86.1159.1-175.1-65.5-59136.800113.1Y61 H67 N105Y61-E65 HydrophobicContact CD2-CB 4.4Å; Y61-E65 HydrophobicContact CD2-CG 3.56Å; Y61-E65 HydrophobicContact CE2-CB 4.2Å; Y61-E65 HydrophobicContact CE2-CG 3.54Å; Y61-E65 HydrophobicContact CG-CG 4.15Å; Y61-E65 VanDerWaalsContact O-CB 3.25Å; Y61-E65 WeakPolarHBondContact O-CB 3.46Å; Y61-E65 WeakPolarHBondContact O-CG 3.45Å; Y61-E65 PolarHBondContact O-N 3.09Å; E65-H67 PolarHBondContact O-CD2 3.05Å; E65-N105 PolarHBondContact O-ND2 3.4Å
66Q89.4Confident89.7Confident178 Ų17859.9 Ų59.983%0.83231%0.307SS*.  trans-91.1105175.5-71.8-175.1-3.700110.4
67H88.8Confident88.7Confident56 Ų5659.3 Ų59.326%0.25930%0.299SS..  trans-122.120.2178.254.564.9000112.7I62 E65 K69I62-H67 PolarHBondContact O-NE2 3.4Å; E65-H67 PolarHBondContact O-CD2 3.05Å; H67-K69 PolarHBondContact CE1-O 3.49Å; H67-K69 PolarHBondContact ND1-N 2.96Å; H67-K69 PolarHBondContact ND1-O 3.31Å; H67-K69 PolarHBondContact O-N 3.32Å
68S87.5Confident86.9Confident133 Ų13359.8 Ų59.893%0.9331%0.307SS*.SBendtrans54.420.1176-55.20000115.7
69K88.8Confident84.8Confident114 Ų11458 Ų5850%0.49630%0.303SS..  trans-124.1146.4174.3-64.3-174.1164.7-153.90109.6H67 V71 D132H67-K69 PolarHBondContact CE1-O 3.49Å; H67-K69 PolarHBondContact ND1-N 2.96Å; H67-K69 PolarHBondContact ND1-O 3.31Å; H67-K69 PolarHBondContact O-N 3.32Å; K69-V71 HydrophobicContact CB-CG2 4.16Å; K69-D132 IonicContact NZ-OD2 3.6Å
70R92.6Very high82.7Confident96 Ų9665.6 Ų65.636%0.36234%0.339SS..  trans-102.199174.8-60.1172.4-62.5160.73.3108.3G106 G128 K129 F130 D131R70-G106 WeakPolarHBondContact CB-O 3.37Å; R70-G128 PolarHBondContact NH1-O 3.47Å; R70-G128 PolarHBondContact NH2-O 3.1Å; R70-K129 WeakPolarHBondContact CD-O 3.41Å; R70-K129 PolarHBondContact NH1-O 2.76Å; R70-F130 CarbonylContact O-C 3.59Å; R70-F130 VanDerWaalsContact O-CA 3.3Å; R70-F130 WeakPolarHBondContact O-CA 3.33Å; R70-F130 WeakPolarHBondContact O-CB 3.43Å; R70-D131 WeakPolarHBondContact CB-OD2 3.35Å; R70-D131 IonicContact CZ-OD1 2.71Å; R70-D131 IonicContact CZ-OD2 3.44Å; R70-D131 PolarHBondContact N-OD2 3.34Å; R70-D131 IonicContact NE-OD1 3.61Å; R70-D131 IonicContact NE-OD2 3.63Å; R70-D131 PolarHBondContact NE-OD2 3.29Å; R70-D131 IonicContact NH2-OD1 2.8Å; R70-D131 PolarHBondContact NH2-OD1 3.34Å; R70-D131 IonicContact NH2-OD2 3.75Å; R70-D131 PolarHBondContact NH2-OD2 3.18Å; R70-D131 PolarHBondContact O-N 3.25Å
71V94.4Very high81.1Confident12 Ų1263.6 Ų63.67%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-100.6133.6-174.9-175.70000109.4I62 K69 V73 C107 L108 D132 L134I62-V71 HydrophobicContact CG2-CB 4.14Å; I62-V71 HydrophobicContact CG2-CG1 4.24Å; I62-V71 HydrophobicContact CG2-CG2 4.25Å; K69-V71 HydrophobicContact CB-CG2 4.16Å; V71-V73 HydrophobicContact CG1-CG2 4.02Å; V71-C107 PolarHBondContact N-SG 2.87Å; V71-C107 CarbonylContact O-C 3.56Å; V71-C107 WeakPolarHBondContact O-CA 3.45Å; V71-C107 VanDerWaalsContact O-CB 3.24Å; V71-C107 WeakPolarHBondContact O-CB 3.44Å; V71-L108 PolarHBondContact O-N 2.84Å; V71-D132 HydrophobicContact CG1-CB 4.46Å; V71-D132 HydrophobicContact CG2-CB 4.37Å; V71-L134 HydrophobicContact CG1-CB 3.97Å
72A93.5Very high79.7Confident0 Ų057.3 Ų57.30%031%0.308CS..EExtended strand (participates in β ladder)trans-97.5112.3169.800000110.1L108 L123 F130 D132 I133 L134A72-L108 CarbonylContact C-O 3.57Å; A72-L108 WeakPolarHBondContact CA-O 3.37Å; A72-L108 HydrophobicContact CB-CB 4.13Å; A72-L123 HydrophobicContact CB-CD1 3.94Å; A72-L123 HydrophobicContact CB-CD2 3.42Å; A72-L123 VanDerWaalsContact CB-CD2 3.42Å; A72-L123 HydrophobicContact CB-CG 4.23Å; A72-F130 HydrophobicContact CB-CB 3.93Å; A72-F130 HydrophobicContact CB-CD1 4.23Å; A72-F130 HydrophobicContact CB-CD2 3.88Å; A72-F130 HydrophobicContact CB-CG 3.74Å; A72-D132 PolarHBondContact N-O 3.25Å; A72-I133 CarbonylContact O-C 3.54Å; A72-I133 WeakPolarHBondContact O-CA 3.2Å; A72-L134 PolarHBondContact O-N 2.71Å
73V92.4Very high78.6Confident0 Ų059.6 Ų59.60%033%0.332CS..EExtended strand (participates in β ladder)trans-99.9126.4-178.5-177.40000110.1L59 I62 L63 V71 L75 L108 C109 C110 L134L59-V73 HydrophobicContact CD2-CG1 3.87Å; I62-V73 HydrophobicContact CG2-CG2 4.47Å; L63-V73 HydrophobicContact CD1-CB 4.27Å; L63-V73 HydrophobicContact CD1-CG1 4.34Å; L63-V73 HydrophobicContact CD1-CG2 4.34Å; L63-V73 HydrophobicContact CD2-CB 3.87Å; L63-V73 HydrophobicContact CD2-CG2 3.41Å; L63-V73 VanDerWaalsContact CD2-CG2 3.41Å; L63-V73 HydrophobicContact CG-CB 4.39Å; L63-V73 HydrophobicContact CG-CG2 3.94Å; V71-V73 HydrophobicContact CG1-CG2 4.02Å; V73-L75 HydrophobicContact CG1-CD2 3.64Å; V73-L75 HydrophobicContact CG1-CG 4.23Å; V73-L108 PolarHBondContact N-O 3.29Å; V73-C109 WeakPolarHBondContact O-CA 3.28Å; V73-C110 PolarHBondContact O-N 2.86Å; V73-L134 CarbonylContact C-O 3.5Å; V73-L134 WeakPolarHBondContact CA-O 3.46Å; V73-L134 HydrophobicContact CG2-CB 4.13Å; V73-L134 HydrophobicContact CG2-CD2 4.21Å
74I89.6Confident78Confident0 Ų060 Ų600%033%0.334CS..EExtended strand (participates in β ladder)trans-110.7114.2175.5-59.5172.3000107.6W100 V112 A119 I120 L123 I133 L134 L135 E136I74-W100 HydrophobicContact CD1-CH2 4.14Å; I74-W100 HydrophobicContact CG1-CH2 3.78Å; I74-W100 HydrophobicContact CG1-CZ3 4.17Å; I74-V112 HydrophobicContact CG2-CG1 4.47Å; I74-V112 HydrophobicContact CG2-CG2 3.75Å; I74-A119 HydrophobicContact CD1-CB 4.06Å; I74-A119 HydrophobicContact CG2-CB 3.91Å; I74-I120 HydrophobicContact CD1-CB 4.45Å; I74-I120 HydrophobicContact CD1-CD1 4.37Å; I74-I120 HydrophobicContact CD1-CG1 3.39Å; I74-L123 HydrophobicContact CD1-CD2 4.21Å; I74-I133 HydrophobicContact CD1-CG2 4.05Å; I74-L134 PolarHBondContact N-O 2.8Å; I74-L135 HydrophobicContact CB-CD1 3.82Å; I74-L135 HydrophobicContact CG2-CD1 3.64Å; I74-E136 PolarHBondContact O-N 3.37Å
75L86.9Confident77.3Confident1 Ų158.1 Ų58.11%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-93.3109178.8-54.1175.8000108.3L59 V73 E77 S82 L84 C110 S111 V112 E136L59-L75 HydrophobicContact CD1-CD2 3.57Å; V73-L75 HydrophobicContact CG1-CD2 3.64Å; V73-L75 HydrophobicContact CG1-CG 4.23Å; L75-E77 PolarHBondContact O-N 2.82Å; L75-S82 WeakPolarHBondContact CD1-OG 3.24Å; L75-L84 HydrophobicContact CD1-CB 4.15Å; L75-L84 HydrophobicContact CD1-CD2 4.01Å; L75-L84 HydrophobicContact CD1-CG 4.26Å; L75-L84 HydrophobicContact CD2-CD2 4.18Å; L75-C110 WeakPolarHBondContact CB-O 3.42Å; L75-C110 PolarHBondContact N-O 2.76Å; L75-S111 WeakPolarHBondContact O-CA 3.16Å; L75-V112 PolarHBondContact O-N 3.45Å; L75-E136 HydrophobicContact CD2-CB 4.3Å
76N76.2Confident76.4Confident37 Ų3758.2 Ų58.220%0.19832%0.32CS..EExtended strand (participates in β ladder)trans-88.793175.7-1595.8000108.2E136 T138N76-E136 WeakPolarHBondContact CB-O 3.26Å; N76-E136 PolarHBondContact N-O 3.4Å; N76-T138 WeakPolarHBondContact O-CG2 3.31Å
77E66.1Low75.7Confident63 Ų6353 Ų5329%0.29430%0.303SS..  trans-109.9135.3179.1-165.1-171.4-147.900110.6L75 G79 G81 S82 V112L75-E77 PolarHBondContact O-N 2.82Å; E77-G79 PolarHBondContact O-N 2.86Å; E77-G81 VanDerWaalsContact OE2-C 3.24Å; E77-S82 WeakPolarHBondContact OE2-CA 3.42Å; E77-S82 PolarHBondContact OE2-N 3.39Å; E77-V112 PolarHBondContact N-O 2.85Å
78S51.8Low75.1Confident118 Ų11850.6 Ų50.683%0.82529%0.292SS*.SBendtrans-76.772.5160.760.20000109.5
79G48.8Very low74.2Confident25 Ų2544.4 Ų44.426%0.25825%0.249SC..SBendtrans-176.9168.2-17300000116.3E77 G81 K113E77-G79 PolarHBondContact O-N 2.86Å; G79-G81 PolarHBondContact O-N 3.5Å; G79-K113 WeakPolarHBondContact O-CE 3.36Å; G79-K113 WeakPolarHBondContact O-CG 3.34Å
80E46Very low73.2Confident160 Ų16044.6 Ų44.675%0.74826%0.259SS*.SBendtrans-82.680.8177.2-136.5-178.9142.600110.3K86E80-K86 VanDerWaalsContact O-CE 3.25Å; E80-K86 WeakPolarHBondContact O-CE 3.41Å; E80-K86 PolarHBondContact O-NZ 3.31Å
81G57.3Low71.8Confident16 Ų1643.5 Ų43.517%0.16527%0.267CS..SBendtrans69.7119.2177.800000113.4E77 G79 E85 K86E77-G81 VanDerWaalsContact OE2-C 3.24Å; G79-G81 PolarHBondContact O-N 3.5Å; G81-E85 WeakPolarHBondContact CA-OE2 3.37Å; G81-K86 VanDerWaalsContact O-CE 3.22Å; G81-K86 WeakPolarHBondContact O-CE 3.2Å; G81-K86 PolarHBondContact O-NZ 3.17Å
82S63Low70.4Confident7 Ų745.5 Ų45.55%0.04928%0.275CS..  trans-58.5144.8-175.173.90000112.3L75 E77 L84 E85 K86 S111L75-S82 WeakPolarHBondContact CD1-OG 3.24Å; E77-S82 WeakPolarHBondContact OE2-CA 3.42Å; E77-S82 PolarHBondContact OE2-N 3.39Å; S82-L84 PolarHBondContact O-N 3.46Å; S82-L84 VanDerWaalsContact O-N 3.1Å; S82-E85 PolarHBondContact O-N 3.05Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 VanDerWaalsContact OG-CB 3.24Å; S82-E85 WeakPolarHBondContact OG-CB 3.39Å; S82-E85 PolarHBondContact OG-N 3.22Å; S82-K86 PolarHBondContact O-N 3.2Å; S82-S111 PolarHBondContact N-OG 3.09Å
83A68.9Low68.7Low78 Ų7849 Ų4965%0.64531%0.311SS*.Hα-helixtrans-54.5-30.4174.300000111.7S87A83-S87 VanDerWaalsContact O-CB 3.25Å; A83-S87 WeakPolarHBondContact O-CB 3.44Å; A83-S87 PolarHBondContact O-N 3.1Å
84L76.1Confident66.9Low11 Ų1150.8 Ų50.86%0.05833%0.329CS..Hα-helixtrans-68.5-51.5175-177.457.5000112T56 L59 N60 L63 L75 S82 K86 S87 L88T56-L84 HydrophobicContact CG2-CB 4.06Å; T56-L84 HydrophobicContact CG2-CD1 4.48Å; T56-L84 HydrophobicContact CG2-CD2 4.17Å; T56-L84 HydrophobicContact CG2-CG 4.48Å; L59-L84 HydrophobicContact CB-CD2 3.73Å; N60-L84 HydrophobicContact CB-CD1 3.74Å; N60-L84 WeakPolarHBondContact OD1-CD1 3.41Å; L63-L84 HydrophobicContact CD1-CD2 4.04Å; L63-L84 HydrophobicContact CD1-CG 4.43Å; L75-L84 HydrophobicContact CD1-CB 4.15Å; L75-L84 HydrophobicContact CD1-CD2 4.01Å; L75-L84 HydrophobicContact CD1-CG 4.26Å; L75-L84 HydrophobicContact CD2-CD2 4.18Å; S82-L84 PolarHBondContact O-N 3.46Å; S82-L84 VanDerWaalsContact O-N 3.1Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.87Å; L84-S87 WeakPolarHBondContact O-CB 3.29Å; L84-S87 PolarHBondContact O-N 2.89Å; L84-L88 HydrophobicContact CD1-CD1 4.02Å; L84-L88 HydrophobicContact CD1-CG 4.22Å; L84-L88 HydrophobicContact CG-CD1 3.96Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 3.45Å
85E73.4Confident64.9Low22 Ų2257.9 Ų57.910%0.10336%0.362CS..Hα-helixtrans-56.5-47.3177.5-179.9-169.8-163.900111.5G81 S82 S87 L88 A89 L96 S111G81-E85 WeakPolarHBondContact CA-OE2 3.37Å; S82-E85 PolarHBondContact O-N 3.05Å; S82-E85 VanDerWaalsContact O-N 3.09Å; S82-E85 VanDerWaalsContact OG-CB 3.24Å; S82-E85 WeakPolarHBondContact OG-CB 3.39Å; S82-E85 PolarHBondContact OG-N 3.22Å; E85-S87 PolarHBondContact O-N 2.83Å; E85-L88 PolarHBondContact O-N 3.16Å; E85-A89 WeakPolarHBondContact O-CB 3.4Å; E85-A89 PolarHBondContact O-N 3.41Å; E85-L96 HydrophobicContact CG-CD2 4.24Å; E85-S111 WeakPolarHBondContact OE2-CB 3.37Å
86K73.4Confident63.1Low96 Ų9662.6 Ų62.642%0.41739%0.387SS..Hα-helixtrans-62.2-43.1177.9-70172.8-178.3156.80112E80 G81 S82 L84 L88 A89 V90E80-K86 VanDerWaalsContact O-CE 3.25Å; E80-K86 WeakPolarHBondContact O-CE 3.41Å; E80-K86 PolarHBondContact O-NZ 3.31Å; G81-K86 VanDerWaalsContact O-CE 3.22Å; G81-K86 WeakPolarHBondContact O-CE 3.2Å; G81-K86 PolarHBondContact O-NZ 3.17Å; S82-K86 PolarHBondContact O-N 3.2Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.87Å; K86-L88 VanDerWaalsContact C-N 3.3Å; K86-L88 PolarHBondContact O-N 2.89Å; K86-A89 PolarHBondContact O-N 3.47Å; K86-V90 WeakPolarHBondContact O-CB 3.25Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.46Å; K86-V90 PolarHBondContact O-N 2.76Å
87S74.9Confident61.4Low69 Ų6970.3 Ų70.348%0.48342%0.415SS..Hα-helixtrans-60.6-42.6176.3-175.10000111.2A83 L84 E85 S91A83-S87 VanDerWaalsContact O-CB 3.25Å; A83-S87 WeakPolarHBondContact O-CB 3.44Å; A83-S87 PolarHBondContact O-N 3.1Å; L84-S87 WeakPolarHBondContact O-CB 3.29Å; L84-S87 PolarHBondContact O-N 2.89Å; E85-S87 PolarHBondContact O-N 2.83Å; S87-S91 WeakPolarHBondContact O-CB 3.42Å; S87-S91 PolarHBondContact O-N 3.07Å; S87-S91 PolarHBondContact O-OG 2.9Å
88L75.9Confident60.9Low4 Ų474.6 Ų74.62%0.02144%0.435CS..Hα-helixtrans-68.4-44.6178.9-68170000111.9L63 T64 L84 E85 K86 V90 S91 Q92 L101 L103L63-L88 HydrophobicContact CB-CD1 4.02Å; L63-L88 HydrophobicContact CD1-CD1 3.48Å; L63-L88 VanDerWaalsContact CD1-CD1 3.48Å; L63-L88 HydrophobicContact CG-CD1 4.35Å; T64-L88 HydrophobicContact CG2-CD2 3.69Å; L84-L88 HydrophobicContact CD1-CD1 4.02Å; L84-L88 HydrophobicContact CD1-CG 4.22Å; L84-L88 HydrophobicContact CG-CD1 3.96Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 3.45Å; E85-L88 PolarHBondContact O-N 3.16Å; K86-L88 VanDerWaalsContact C-N 3.3Å; K86-L88 PolarHBondContact O-N 2.89Å; L88-V90 PolarHBondContact O-N 3.45Å; L88-S91 WeakPolarHBondContact CA-OG 3.1Å; L88-S91 PolarHBondContact O-N 3.42Å; L88-S91 PolarHBondContact O-OG 3.3Å; L88-Q92 PolarHBondContact O-N 2.94Å; L88-Q92 VanDerWaalsContact O-N 3.1Å; L88-L101 HydrophobicContact CB-CD2 3.69Å; L88-L103 HydrophobicContact CB-CD2 4.31Å; L88-L103 HydrophobicContact CD1-CD1 4.27Å
89A68Low61.7Low3 Ų374.4 Ų74.43%0.02542%0.421CS..Hα-helixtrans-59.4-47.1177.300000111.9E85 K86 S91 Q92 G93 G94 L96 L101E85-A89 WeakPolarHBondContact O-CB 3.4Å; E85-A89 PolarHBondContact O-N 3.41Å; K86-A89 PolarHBondContact O-N 3.47Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 2.93Å; A89-Q92 PolarHBondContact O-N 2.82Å; A89-G93 PolarHBondContact O-N 3.37Å; A89-G94 PolarHBondContact O-N 3.22Å; A89-L96 HydrophobicContact CB-CD1 4.03Å; A89-L96 HydrophobicContact CB-CG 4.01Å; A89-L101 HydrophobicContact CB-CD2 4.3Å
90V68.6Low63.1Low119 Ų11973.6 Ų73.672%0.72141%0.41SS*.Hα-helixtrans-61.2-43.4175.8172.40000111.1K86 L88 Q92 G93K86-V90 WeakPolarHBondContact O-CB 3.25Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.46Å; K86-V90 PolarHBondContact O-N 2.76Å; L88-V90 PolarHBondContact O-N 3.45Å; V90-Q92 PolarHBondContact O-N 2.84Å; V90-G93 PolarHBondContact O-N 3.11Å
91S63.1Low64.9Low73 Ų7367.3 Ų67.351%0.5138%0.382SS..Hα-helixtrans-65.5-23.9-178.972.40000113.8S87 L88 A89S87-S91 WeakPolarHBondContact O-CB 3.42Å; S87-S91 PolarHBondContact O-N 3.07Å; S87-S91 PolarHBondContact O-OG 2.9Å; L88-S91 WeakPolarHBondContact CA-OG 3.1Å; L88-S91 PolarHBondContact O-N 3.42Å; L88-S91 PolarHBondContact O-OG 3.3Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 2.93Å
92Q63.9Low66.3Low54 Ų5471.6 Ų71.625%0.25240%0.397SS..Hα-helixtrans-99.7-1.9179.3-65.2-166.111.600114L88 A89 V90 G94 E102L88-Q92 PolarHBondContact O-N 2.94Å; L88-Q92 VanDerWaalsContact O-N 3.1Å; A89-Q92 PolarHBondContact O-N 2.82Å; V90-Q92 PolarHBondContact O-N 2.84Å; Q92-G94 PolarHBondContact O-N 3.43Å; Q92-E102 PolarHBondContact OE1-O 2.9Å; Q92-E102 VanDerWaalsContact OE1-O 3.11Å
93G57.7Low67.4Low74 Ų7471.6 Ų71.676%0.76340%0.396SS*.THydrogen-bonded Turntrans66.420.9-179.800000113.5A89 V90A89-G93 PolarHBondContact O-N 3.37Å; V90-G93 PolarHBondContact O-N 3.11Å
94G55.3Low68.2Low36 Ų3678 Ų7837%0.37140%0.404SS..  trans-94.7146.7178.900000111.8A89 Q92A89-G94 PolarHBondContact O-N 3.22Å; Q92-G94 PolarHBondContact O-N 3.43Å
95E47.6Very low68.7Low149 Ų14979 Ų7970%0.69641%0.409SS*.  trans-78.8143.4168.3-68-83.7141.400110.4Y97E95-Y97 HydrophobicContact CB-CD2 3.42Å; E95-Y97 VanDerWaalsContact CB-CD2 3.42Å; E95-Y97 HydrophobicContact CB-CE2 3.82Å; E95-Y97 HydrophobicContact CB-CG 4.48Å; E95-Y97 HydrophobicContact CG-CD2 4.17Å; E95-Y97 HydrophobicContact CG-CE2 4.14Å; E95-Y97 PolarHBondContact O-N 3.33Å; E95-Y97 WeakPolarHBondContact OE2-CE2 3.49Å
96L48.7Very low69.3Low100 Ų10078.9 Ų78.952%0.52442%0.415SS..THydrogen-bonded Turntrans-72.745.9178.5-90.9129.7000113.1E85 A89E85-L96 HydrophobicContact CG-CD2 4.24Å; A89-L96 HydrophobicContact CB-CD1 4.03Å; A89-L96 HydrophobicContact CB-CG 4.01Å
97Y41.7Very low70.2Confident200 Ų20074.3 Ų74.378%0.78440%0.395SS*.THydrogen-bonded Turntrans-104.4-10.7-177.3-72.2-64.6000114.9E95E95-Y97 HydrophobicContact CB-CD2 3.42Å; E95-Y97 VanDerWaalsContact CB-CD2 3.42Å; E95-Y97 HydrophobicContact CB-CE2 3.82Å; E95-Y97 HydrophobicContact CB-CG 4.48Å; E95-Y97 HydrophobicContact CG-CD2 4.17Å; E95-Y97 HydrophobicContact CG-CE2 4.14Å; E95-Y97 PolarHBondContact O-N 3.33Å; E95-Y97 WeakPolarHBondContact OE2-CE2 3.49Å
98E54Low70.9Confident152 Ų15271.2 Ų71.271%0.7137%0.373SS*.SBendtrans-96.2137.2172.6-63.7-159.2164.200110.4W100E98-W100 WeakPolarHBondContact CB-O 3.44Å; E98-W100 PolarHBondContact O-N 3.35Å
99E69.2Low71.5Confident115 Ų11571 Ų7154%0.53737%0.372SS..SBendtrans-58.1-17.2173.3-171.9-172.7-177.400112.1C110 N122E99-C110 WeakPolarHBondContact O-CB 3.45Å; E99-N122 PolarHBondContact OE1-ND2 3.26Å
100W77.8Confident72.3Confident7 Ų771 Ų713%0.02737%0.371CS..SBendtrans-134.8129.3179.7-65.983.1000110.3I74 E98 L108 C110 A119 L123I74-W100 HydrophobicContact CD1-CH2 4.14Å; I74-W100 HydrophobicContact CG1-CH2 3.78Å; I74-W100 HydrophobicContact CG1-CZ3 4.17Å; E98-W100 WeakPolarHBondContact CB-O 3.44Å; E98-W100 PolarHBondContact O-N 3.35Å; W100-L108 HydrophobicContact CE3-CB 4.24Å; W100-C110 HydrophobicContact CD2-CB 3.84Å; W100-C110 HydrophobicContact CE3-CB 3.55Å; W100-C110 HydrophobicContact CH2-CB 4.05Å; W100-C110 WeakPolarHBondContact CH2-SG 3.5Å; W100-C110 HydrophobicContact CZ2-CB 4.26Å; W100-C110 HydrophobicContact CZ3-CB 3.67Å; W100-C110 WeakPolarHBondContact CZ3-SG 3.42Å; W100-A119 WeakPolarHBondContact CZ2-O 3.48Å; W100-L123 HydrophobicContact CD2-CD1 4.24Å; W100-L123 HydrophobicContact CE3-CD1 3.99Å; W100-L123 HydrophobicContact CH2-CB 3.64Å; W100-L123 HydrophobicContact CH2-CD1 3.69Å; W100-L123 HydrophobicContact CH2-CD2 3.82Å; W100-L123 HydrophobicContact CH2-CG 3.88Å; W100-L123 HydrophobicContact CZ2-CB 3.6Å; W100-L123 HydrophobicContact CZ2-CD1 4Å; W100-L123 HydrophobicContact CZ2-CG 4.23Å; W100-L123 HydrophobicContact CZ3-CD1 3.7Å; W100-L123 HydrophobicContact CZ3-CD2 4.18Å; W100-L123 HydrophobicContact CZ3-CG 4.32Å
101L84.3Confident72.8Confident29 Ų2966.6 Ų66.615%0.15235%0.346CS..EExtended strand (participates in β ladder)trans-93.1114.7173.5-174.668.1000109.3L88 A89 L103 L108 C109L88-L101 HydrophobicContact CB-CD2 3.69Å; A89-L101 HydrophobicContact CB-CD2 4.3Å; L101-L103 HydrophobicContact CD2-CD2 3.66Å; L101-L103 HydrophobicContact CG-CD2 3.75Å; L101-L108 CarbonylContact O-C 3.59Å; L101-L108 WeakPolarHBondContact O-CA 3.39Å; L101-C109 PolarHBondContact N-O 2.84Å; L101-C109 PolarHBondContact O-N 3.37Å
102E87Confident73.4Confident105 Ų10564.1 Ų64.149%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-86.1125172.7-168170.6150.100110.1Q92 L108 K129Q92-E102 PolarHBondContact OE1-O 2.9Å; Q92-E102 VanDerWaalsContact OE1-O 3.11Å; E102-L108 HydrophobicContact CB-CD2 3.83Å; E102-L108 HydrophobicContact CG-CD2 3.9Å; E102-K129 IonicContact OE2-NZ 2.98Å; E102-K129 PolarHBondContact OE2-NZ 3.26Å
103L86.9Confident73.4Confident7 Ų768.1 Ų68.14%0.03734%0.344CS..  trans-99.5158.9-175.3-52.7-178.8000111.8L63 L88 L101 N105 G106 C107L63-L103 HydrophobicContact CB-CD1 3.51Å; L63-L103 HydrophobicContact CD2-CD1 3.6Å; L63-L103 HydrophobicContact CG-CD1 4.04Å; L63-L103 WeakPolarHBondContact O-CD1 3.24Å; L88-L103 HydrophobicContact CB-CD2 4.31Å; L88-L103 HydrophobicContact CD1-CD1 4.27Å; L101-L103 HydrophobicContact CD2-CD2 3.66Å; L101-L103 HydrophobicContact CG-CD2 3.75Å; L103-N105 WeakPolarHBondContact CB-OD1 3.38Å; L103-N105 PolarHBondContact O-N 3.38Å; L103-N105 VanDerWaalsContact O-N 3.14Å; L103-G106 WeakPolarHBondContact O-CA 3.33Å; L103-G106 PolarHBondContact O-N 3.15Å; L103-C107 HydrophobicContact CB-CB 4.48Å; L103-C107 HydrophobicContact CD1-CB 4.23Å; L103-C107 PolarHBondContact N-O 2.85Å
104R85.6Confident73.7Confident213 Ų21370.3 Ų70.380%0.80434%0.338SS*.THydrogen-bonded Turntrans-60.4-26.5-176.9-64.4-176.9-177.5170.63.3114.5
105N86.8Confident74.5Confident31 Ų3172.3 Ų72.317%0.16634%0.34CS..THydrogen-bonded Turntrans-843.7176.269.4-12.9000112.8I62 L63 E65 L103 C107I62-N105 PolarHBondContact O-ND2 2.83Å; I62-N105 VanDerWaalsContact O-ND2 3.1Å; L63-N105 PolarHBondContact O-ND2 3.34Å; L63-N105 VanDerWaalsContact O-ND2 3.15Å; L63-N105 PolarHBondContact O-OD1 3.08Å; E65-N105 PolarHBondContact O-ND2 3.4Å; L103-N105 WeakPolarHBondContact CB-OD1 3.38Å; L103-N105 PolarHBondContact O-N 3.38Å; L103-N105 VanDerWaalsContact O-N 3.14Å; N105-C107 VanDerWaalsContact C-N 3.34Å; N105-C107 PolarHBondContact ND2-SG 3.37Å; N105-C107 VanDerWaalsContact OD1-CB 3.29Å; N105-C107 WeakPolarHBondContact OD1-CB 3.45Å; N105-C107 PolarHBondContact OD1-N 3.23Å; N105-C107 VanDerWaalsContact OD1-N 3.1Å
106G86.2Confident75.8Confident21 Ų2165.4 Ų65.422%0.21631%0.31CS..SBendtrans84.34.5-178.700000114.3R70 L103R70-G106 WeakPolarHBondContact CB-O 3.37Å; L103-G106 WeakPolarHBondContact O-CA 3.33Å; L103-G106 PolarHBondContact O-N 3.15Å
107C91.4Very high77.2Confident0 Ų062.5 Ų62.50%029%0.294CS..  trans-75.8154.3172.3-67.80000111.7L63 V71 L103 N105L63-C107 HydrophobicContact CD2-CB 3.84Å; V71-C107 PolarHBondContact N-SG 2.87Å; V71-C107 CarbonylContact O-C 3.56Å; V71-C107 WeakPolarHBondContact O-CA 3.45Å; V71-C107 VanDerWaalsContact O-CB 3.24Å; V71-C107 WeakPolarHBondContact O-CB 3.44Å; L103-C107 HydrophobicContact CB-CB 4.48Å; L103-C107 HydrophobicContact CD1-CB 4.23Å; L103-C107 PolarHBondContact N-O 2.85Å; N105-C107 VanDerWaalsContact C-N 3.34Å; N105-C107 PolarHBondContact ND2-SG 3.37Å; N105-C107 VanDerWaalsContact OD1-CB 3.29Å; N105-C107 WeakPolarHBondContact OD1-CB 3.45Å; N105-C107 PolarHBondContact OD1-N 3.23Å; N105-C107 VanDerWaalsContact OD1-N 3.1Å
108L89.4Confident79Confident4 Ų460.8 Ų60.82%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-113.3140.8172.9-65.6167.4000108.6V71 A72 V73 W100 L101 E102 L123 K129 F130V71-L108 PolarHBondContact O-N 2.84Å; A72-L108 CarbonylContact C-O 3.57Å; A72-L108 WeakPolarHBondContact CA-O 3.37Å; A72-L108 HydrophobicContact CB-CB 4.13Å; V73-L108 PolarHBondContact N-O 3.29Å; W100-L108 HydrophobicContact CE3-CB 4.24Å; L101-L108 CarbonylContact O-C 3.59Å; L101-L108 WeakPolarHBondContact O-CA 3.39Å; E102-L108 HydrophobicContact CB-CD2 3.83Å; E102-L108 HydrophobicContact CG-CD2 3.9Å; L108-L123 HydrophobicContact CD1-CD1 4.04Å; L108-K129 HydrophobicContact CD1-CB 4.19Å; L108-F130 HydrophobicContact CD1-CB 4.41Å; L108-F130 HydrophobicContact CD1-CD1 3.79Å; L108-F130 HydrophobicContact CD1-CG 4.47Å
109C87.9Confident80.4Confident0 Ų053.8 Ų53.80%026%0.255CS..EExtended strand (participates in β ladder)trans-133136.6175.7-179.40000110L63 V73 L101L63-C109 HydrophobicContact CD1-CB 4.02Å; L63-C109 HydrophobicContact CD2-CB 4.09Å; V73-C109 WeakPolarHBondContact O-CA 3.28Å; L101-C109 PolarHBondContact N-O 2.84Å; L101-C109 PolarHBondContact O-N 3.37Å
110C85.2Confident81.2Confident2 Ų248.5 Ų48.51%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-137.4154.5164.3750000110.8V73 L75 E99 W100V73-C110 PolarHBondContact O-N 2.86Å; L75-C110 WeakPolarHBondContact CB-O 3.42Å; L75-C110 PolarHBondContact N-O 2.76Å; E99-C110 WeakPolarHBondContact O-CB 3.45Å; W100-C110 HydrophobicContact CD2-CB 3.84Å; W100-C110 HydrophobicContact CE3-CB 3.55Å; W100-C110 HydrophobicContact CH2-CB 4.05Å; W100-C110 WeakPolarHBondContact CH2-SG 3.5Å; W100-C110 HydrophobicContact CZ2-CB 4.26Å; W100-C110 HydrophobicContact CZ3-CB 3.67Å; W100-C110 WeakPolarHBondContact CZ3-SG 3.42Å
111S80.4Confident81.5Confident26 Ų2653.8 Ų53.818%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-105.4130.3164.4-164.60000108.8L75 S82 E85L75-S111 WeakPolarHBondContact O-CA 3.16Å; S82-S111 PolarHBondContact N-OG 3.09Å; E85-S111 WeakPolarHBondContact OE2-CB 3.37Å
112V74.4Confident81.5Confident22 Ų2255 Ų5513%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-115.9139174.8-63.40000110.9I74 L75 E77 A119I74-V112 HydrophobicContact CG2-CG1 4.47Å; I74-V112 HydrophobicContact CG2-CG2 3.75Å; L75-V112 PolarHBondContact O-N 3.45Å; E77-V112 PolarHBondContact N-O 2.85Å; V112-A119 HydrophobicContact CB-CB 4.35Å; V112-A119 HydrophobicContact CG1-CB 3.51Å; V112-A119 HydrophobicContact CG2-CB 4.23Å
113K64.3Low81.4Confident137 Ų13750 Ų5060%0.59624%0.238SC*.SBendtrans-90.6-24172.7-69.2-179.3179.2174.80112.5G79G79-K113 WeakPolarHBondContact O-CE 3.36Å; G79-K113 WeakPolarHBondContact O-CG 3.34Å
114D63.7Low81.4Confident121 Ų12151.3 Ų51.365%0.64725%0.245SC*.SBendtrans-107.9-172.6-175-67.6-44.5000111G116D114-G116 PolarHBondContact O-N 2.88Å
115N71.6Confident81.4Confident77 Ų7748.7 Ų48.741%0.41224%0.241SC..  trans-52.1121.5-175.6-172.8-9.9000113.3L117 R118N115-L117 PolarHBondContact O-N 2.89Å; N115-L117 VanDerWaalsContact O-N 3.09Å; N115-L117 PolarHBondContact OD1-N 2.84Å; N115-R118 PolarHBondContact O-N 3.38Å
116G75.2Confident81.4Confident5 Ų550.3 Ų50.35%0.05225%0.247CC..Hα-helixtrans-54.6-25.9177.100000114.5D114 R118 A119 I120D114-G116 PolarHBondContact O-N 2.88Å; G116-R118 PolarHBondContact O-N 3.34Å; G116-A119 VanDerWaalsContact O-CB 3.3Å; G116-A119 WeakPolarHBondContact O-CB 3.25Å; G116-A119 PolarHBondContact O-N 2.84Å; G116-I120 WeakPolarHBondContact O-CG1 3.36Å; G116-I120 PolarHBondContact O-N 3.43Å
117L78.4Confident81.4Confident39 Ų3953.6 Ų53.620%0.20426%0.256CS..Hα-helixtrans-60.1-44.1172.7-73.3178000112.9N115 A119 I120 E121 M149N115-L117 PolarHBondContact O-N 2.89Å; N115-L117 VanDerWaalsContact O-N 3.09Å; N115-L117 PolarHBondContact OD1-N 2.84Å; L117-A119 PolarHBondContact O-N 2.82Å; L117-I120 CarbonylContact O-C 3.6Å; L117-I120 WeakPolarHBondContact O-CA 3.5Å; L117-I120 WeakPolarHBondContact O-CB 3.43Å; L117-I120 PolarHBondContact O-N 3.07Å; L117-I120 VanDerWaalsContact O-N 3.09Å; L117-E121 WeakPolarHBondContact O-CG 3.47Å; L117-E121 PolarHBondContact O-N 2.88Å; L117-M149 HydrophobicContact CD1-CB 3.74Å; L117-M149 HydrophobicContact CD1-CG 3.96Å; L117-M149 HydrophobicContact CD1-SD 3.62Å; L117-M149 HydrophobicContact CD2-CB 3.83Å; L117-M149 HydrophobicContact CD2-SD 4.4Å; L117-M149 HydrophobicContact CG-CB 4.02Å; L117-M149 HydrophobicContact CG-CG 4.38Å; L117-M149 HydrophobicContact CG-SD 3.69Å
118R80Confident81.2Confident163 Ų16356 Ų5662%0.61528%0.28SS*.Hα-helixtrans-64.7-35.9179.2-71-176.1171.1-176.3-2111.3N115 G116 I120 E121 N122N115-R118 PolarHBondContact O-N 3.38Å; G116-R118 PolarHBondContact O-N 3.34Å; R118-I120 VanDerWaalsContact C-N 3.3Å; R118-E121 PolarHBondContact O-N 3.11Å; R118-N122 WeakPolarHBondContact O-CB 3.27Å; R118-N122 PolarHBondContact O-N 3.1Å
119A83.1Confident81.2Confident5 Ų560.4 Ų60.44%0.04130%0.299CS..Hα-helixtrans-60.9-44173.800000110.7I74 W100 V112 G116 L117 N122 L123I74-A119 HydrophobicContact CD1-CB 4.06Å; I74-A119 HydrophobicContact CG2-CB 3.91Å; W100-A119 WeakPolarHBondContact CZ2-O 3.48Å; V112-A119 HydrophobicContact CB-CB 4.35Å; V112-A119 HydrophobicContact CG1-CB 3.51Å; V112-A119 HydrophobicContact CG2-CB 4.23Å; G116-A119 VanDerWaalsContact O-CB 3.3Å; G116-A119 WeakPolarHBondContact O-CB 3.25Å; G116-A119 PolarHBondContact O-N 2.84Å; L117-A119 PolarHBondContact O-N 2.82Å; A119-N122 PolarHBondContact O-N 3.02Å; A119-L123 VanDerWaalsContact O-CB 3.25Å; A119-L123 WeakPolarHBondContact O-CB 3.18Å; A119-L123 PolarHBondContact O-N 2.91Å
120I85.3Confident81.4Confident4 Ų460.6 Ų60.62%0.02130%0.3CS..Hα-helixtrans-64.8-46.4176-65.8170.4000110.8V44 I74 G116 L117 R118 N122 L123 M124 I133 F150 I160V44-I120 HydrophobicContact CG1-CD1 4.44Å; I74-I120 HydrophobicContact CD1-CB 4.45Å; I74-I120 HydrophobicContact CD1-CD1 4.37Å; I74-I120 HydrophobicContact CD1-CG1 3.39Å; G116-I120 WeakPolarHBondContact O-CG1 3.36Å; G116-I120 PolarHBondContact O-N 3.43Å; L117-I120 CarbonylContact O-C 3.6Å; L117-I120 WeakPolarHBondContact O-CA 3.5Å; L117-I120 WeakPolarHBondContact O-CB 3.43Å; L117-I120 PolarHBondContact O-N 3.07Å; L117-I120 VanDerWaalsContact O-N 3.09Å; R118-I120 VanDerWaalsContact C-N 3.3Å; I120-N122 VanDerWaalsContact C-N 3.31Å; I120-N122 PolarHBondContact O-N 2.95Å; I120-L123 CarbonylContact O-C 3.59Å; I120-L123 WeakPolarHBondContact O-CA 3.36Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 3.35Å; I120-M124 HydrophobicContact CG2-CG 4.34Å; I120-M124 VanDerWaalsContact O-CG 3.28Å; I120-M124 WeakPolarHBondContact O-CG 3.27Å; I120-M124 PolarHBondContact O-N 3.48Å; I120-I133 HydrophobicContact CG1-CG2 4.48Å; I120-I133 HydrophobicContact CG2-CD1 4.13Å; I120-F150 HydrophobicContact CD1-CE1 3.66Å; I120-F150 HydrophobicContact CD1-CZ 3.51Å; I120-I160 HydrophobicContact CG2-CD1 3.53Å
121E84.4Confident81.8Confident118 Ų11864 Ų6455%0.55132%0.318SS*.Hα-helixtrans-55.5-45175.7-71.2172.1168.900112L117 R118 M124L117-E121 WeakPolarHBondContact O-CG 3.47Å; L117-E121 PolarHBondContact O-N 2.88Å; R118-E121 PolarHBondContact O-N 3.11Å; E121-M124 PolarHBondContact O-N 3.03Å
122N83.6Confident82.4Confident54 Ų5464.4 Ų64.429%0.28932%0.318SS..Hα-helixtrans-66-38.8175.8-73.5-8.9000112E99 R118 A119 I120 M124 Q125E99-N122 PolarHBondContact OE1-ND2 3.26Å; R118-N122 WeakPolarHBondContact O-CB 3.27Å; R118-N122 PolarHBondContact O-N 3.1Å; A119-N122 PolarHBondContact O-N 3.02Å; I120-N122 VanDerWaalsContact C-N 3.31Å; I120-N122 PolarHBondContact O-N 2.95Å; N122-M124 VanDerWaalsContact C-N 3.32Å; N122-M124 PolarHBondContact O-N 3.47Å; N122-Q125 WeakPolarHBondContact O-CB 3.36Å; N122-Q125 PolarHBondContact O-N 2.91Å
123L85.7Confident83.3Confident0 Ų063.5 Ų63.50%031%0.312CS..Hα-helixtrans-65.1-36.6177.6-178.559.4000111.8A72 I74 W100 L108 A119 I120 Q125 K126 F130 I133A72-L123 HydrophobicContact CB-CD1 3.94Å; A72-L123 HydrophobicContact CB-CD2 3.42Å; A72-L123 VanDerWaalsContact CB-CD2 3.42Å; A72-L123 HydrophobicContact CB-CG 4.23Å; I74-L123 HydrophobicContact CD1-CD2 4.21Å; W100-L123 HydrophobicContact CD2-CD1 4.24Å; W100-L123 HydrophobicContact CE3-CD1 3.99Å; W100-L123 HydrophobicContact CH2-CB 3.64Å; W100-L123 HydrophobicContact CH2-CD1 3.69Å; W100-L123 HydrophobicContact CH2-CD2 3.82Å; W100-L123 HydrophobicContact CH2-CG 3.88Å; W100-L123 HydrophobicContact CZ2-CB 3.6Å; W100-L123 HydrophobicContact CZ2-CD1 4Å; W100-L123 HydrophobicContact CZ2-CG 4.23Å; W100-L123 HydrophobicContact CZ3-CD1 3.7Å; W100-L123 HydrophobicContact CZ3-CD2 4.18Å; W100-L123 HydrophobicContact CZ3-CG 4.32Å; L108-L123 HydrophobicContact CD1-CD1 4.04Å; A119-L123 VanDerWaalsContact O-CB 3.25Å; A119-L123 WeakPolarHBondContact O-CB 3.18Å; A119-L123 PolarHBondContact O-N 2.91Å; I120-L123 CarbonylContact O-C 3.59Å; I120-L123 WeakPolarHBondContact O-CA 3.36Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 3.35Å; L123-Q125 PolarHBondContact O-N 3.04Å; L123-K126 WeakPolarHBondContact O-CA 3.43Å; L123-K126 WeakPolarHBondContact O-CB 3.31Å; L123-K126 PolarHBondContact O-N 3.06Å; L123-F130 HydrophobicContact CD1-CD1 3.9Å; L123-F130 HydrophobicContact CD1-CE1 3.51Å; L123-F130 HydrophobicContact CD1-CZ 3.99Å; L123-F130 HydrophobicContact CD2-CE1 4.33Å; L123-F130 HydrophobicContact CD2-CE2 4.09Å; L123-F130 HydrophobicContact CD2-CZ 3.98Å; L123-F130 HydrophobicContact CG-CD1 4.31Å; L123-F130 HydrophobicContact CG-CE1 3.59Å; L123-F130 HydrophobicContact CG-CE2 4.12Å; L123-F130 HydrophobicContact CG-CZ 3.5Å; L123-F130 VanDerWaalsContact CG-CZ 3.5Å; L123-F130 WeakPolarHBondContact O-CE1 3.31Å; L123-I133 HydrophobicContact CD2-CD1 3.86Å; L123-I133 HydrophobicContact CD2-CG1 3.87Å; L123-I133 HydrophobicContact CD2-CG2 4.39Å
124M86.6Confident84.7Confident36 Ų3657.6 Ų57.618%0.17729%0.287CS..Hα-helixtrans-63.4-21.1178.6-70-51.7-67.700113.3I42 I120 E121 N122 K126 K127 F130 I133 D159 I160I42-M124 HydrophobicContact CD1-CE 3.81Å; I42-M124 HydrophobicContact CD1-SD 3.85Å; I42-M124 HydrophobicContact CG1-CE 4.45Å; I120-M124 HydrophobicContact CG2-CG 4.34Å; I120-M124 VanDerWaalsContact O-CG 3.28Å; I120-M124 WeakPolarHBondContact O-CG 3.27Å; I120-M124 PolarHBondContact O-N 3.48Å; E121-M124 PolarHBondContact O-N 3.03Å; N122-M124 VanDerWaalsContact C-N 3.32Å; N122-M124 PolarHBondContact O-N 3.47Å; M124-K126 PolarHBondContact O-N 2.88Å; M124-K127 HydrophobicContact CE-CB 4.49Å; M124-K127 HydrophobicContact CE-CD 3.99Å; M124-K127 HydrophobicContact CE-CG 4.43Å; M124-K127 VanDerWaalsContact O-CB 3.27Å; M124-K127 WeakPolarHBondContact O-CB 3.4Å; M124-K127 PolarHBondContact O-N 2.82Å; M124-K127 VanDerWaalsContact O-N 3.1Å; M124-F130 HydrophobicContact SD-CE2 4.45Å; M124-F130 HydrophobicContact SD-CZ 4.11Å; M124-I133 HydrophobicContact SD-CD1 4.33Å; M124-D159 HydrophobicContact CE-CB 3.45Å; M124-D159 VanDerWaalsContact CE-CB 3.45Å; M124-I160 HydrophobicContact CE-CG2 3.79Å; M124-I160 HydrophobicContact CG-CG2 4.21Å; M124-I160 HydrophobicContact SD-CG2 3.45Å; M124-I160 WeakPolarHBondContact SD-CG2 3.25Å
125Q86.3Confident86Confident157 Ų15752 Ų5273%0.73426%0.257SS*.THydrogen-bonded Turntrans-63.7-19.3169.3-56.817818.900112.6N122 L123N122-Q125 WeakPolarHBondContact O-CB 3.36Å; N122-Q125 PolarHBondContact O-N 2.91Å; L123-Q125 PolarHBondContact O-N 3.04Å
126K86.1Confident86.9Confident65 Ų6549.4 Ų49.428%0.28324%0.243SC..THydrogen-bonded Turntrans-103.318.2176.6-56-174.3-179.376.80112.7L123 M124 G128 K129 F130L123-K126 WeakPolarHBondContact O-CA 3.43Å; L123-K126 WeakPolarHBondContact O-CB 3.31Å; L123-K126 PolarHBondContact O-N 3.06Å; M124-K126 PolarHBondContact O-N 2.88Å; K126-G128 PolarHBondContact O-N 3.21Å; K126-K129 HydrophobicContact CB-CD 4.4Å; K126-K129 WeakPolarHBondContact O-CB 3.27Å; K126-K129 PolarHBondContact O-N 2.7Å; K126-K129 VanDerWaalsContact O-N 3.1Å; K126-F130 HydrophobicContact CB-CE1 4.36Å
127K86.5Confident87.4Confident91 Ų9149.2 Ų49.240%0.39624%0.24SC..THydrogen-bonded Turntrans-47.9134.9177.4-178.6173.9-165.2-1730111.2I42 M124 D159I42-K127 HydrophobicContact CD1-CG 4.19Å; M124-K127 HydrophobicContact CE-CB 4.49Å; M124-K127 HydrophobicContact CE-CD 3.99Å; M124-K127 HydrophobicContact CE-CG 4.43Å; M124-K127 VanDerWaalsContact O-CB 3.27Å; M124-K127 WeakPolarHBondContact O-CB 3.4Å; M124-K127 PolarHBondContact O-N 2.82Å; M124-K127 VanDerWaalsContact O-N 3.1Å; K127-D159 IonicContact NZ-OD1 2.84Å; K127-D159 PolarHBondContact NZ-OD1 2.84Å; K127-D159 IonicContact NZ-OD2 2.84Å; K127-D159 PolarHBondContact NZ-OD2 3.47Å
128G87.3Confident87.3Confident50 Ų5049.5 Ų49.552%0.51524%0.244SC..THydrogen-bonded Turntrans96.4-13.4-174.900000114.6R70 K126R70-G128 PolarHBondContact NH1-O 3.47Å; R70-G128 PolarHBondContact NH2-O 3.1Å; K126-G128 PolarHBondContact O-N 3.21Å
129K90.1Very high87Confident97 Ų9742.2 Ų42.242%0.42222%0.219SC..SBendtrans-82.4-22.6169.4-73.7-162.8162.5-156.90113.9R70 E102 L108 K126R70-K129 WeakPolarHBondContact CD-O 3.41Å; R70-K129 PolarHBondContact NH1-O 2.76Å; E102-K129 IonicContact OE2-NZ 2.98Å; E102-K129 PolarHBondContact OE2-NZ 3.26Å; L108-K129 HydrophobicContact CD1-CB 4.19Å; K126-K129 HydrophobicContact CB-CD 4.4Å; K126-K129 WeakPolarHBondContact O-CB 3.27Å; K126-K129 PolarHBondContact O-N 2.7Å; K126-K129 VanDerWaalsContact O-N 3.1Å
130F91.7Very high86.4Confident4 Ų449 Ų492%0.01825%0.254CS..  trans-136157.7-178.558-83.4000109.8I42 R70 A72 L108 L123 M124 K126 I133I42-F130 HydrophobicContact CD1-CD2 4.1Å; I42-F130 HydrophobicContact CD1-CE2 3.35Å; I42-F130 HydrophobicContact CD1-CZ 3.81Å; I42-F130 HydrophobicContact CG2-CD2 4.18Å; I42-F130 HydrophobicContact CG2-CE2 3.97Å; R70-F130 CarbonylContact O-C 3.59Å; R70-F130 VanDerWaalsContact O-CA 3.3Å; R70-F130 WeakPolarHBondContact O-CA 3.33Å; R70-F130 WeakPolarHBondContact O-CB 3.43Å; A72-F130 HydrophobicContact CB-CB 3.93Å; A72-F130 HydrophobicContact CB-CD1 4.23Å; A72-F130 HydrophobicContact CB-CD2 3.88Å; A72-F130 HydrophobicContact CB-CG 3.74Å; L108-F130 HydrophobicContact CD1-CB 4.41Å; L108-F130 HydrophobicContact CD1-CD1 3.79Å; L108-F130 HydrophobicContact CD1-CG 4.47Å; L123-F130 HydrophobicContact CD1-CD1 3.9Å; L123-F130 HydrophobicContact CD1-CE1 3.51Å; L123-F130 HydrophobicContact CD1-CZ 3.99Å; L123-F130 HydrophobicContact CD2-CE1 4.33Å; L123-F130 HydrophobicContact CD2-CE2 4.09Å; L123-F130 HydrophobicContact CD2-CZ 3.98Å; L123-F130 HydrophobicContact CG-CD1 4.31Å; L123-F130 HydrophobicContact CG-CE1 3.59Å; L123-F130 HydrophobicContact CG-CE2 4.12Å; L123-F130 HydrophobicContact CG-CZ 3.5Å; L123-F130 VanDerWaalsContact CG-CZ 3.5Å; L123-F130 WeakPolarHBondContact O-CE1 3.31Å; M124-F130 HydrophobicContact SD-CE2 4.45Å; M124-F130 HydrophobicContact SD-CZ 4.11Å; K126-F130 HydrophobicContact CB-CE1 4.36Å; F130-I133 HydrophobicContact CD2-CG1 3.95Å; F130-I133 HydrophobicContact CE2-CD1 3.8Å; F130-I133 HydrophobicContact CE2-CG1 3.61Å
131D92.4Very high86.1Confident73 Ų7349.9 Ų49.939%0.3926%0.263SS..SBendtrans-112.8-24.3-174.9-52.8-54.9000111.6P43 R70P43-D131 WeakPolarHBondContact CD-O 3.34Å; R70-D131 WeakPolarHBondContact CB-OD2 3.35Å; R70-D131 IonicContact CZ-OD1 2.71Å; R70-D131 IonicContact CZ-OD2 3.44Å; R70-D131 PolarHBondContact N-OD2 3.34Å; R70-D131 IonicContact NE-OD1 3.61Å; R70-D131 IonicContact NE-OD2 3.63Å; R70-D131 PolarHBondContact NE-OD2 3.29Å; R70-D131 IonicContact NH2-OD1 2.8Å; R70-D131 PolarHBondContact NH2-OD1 3.34Å; R70-D131 IonicContact NH2-OD2 3.75Å; R70-D131 PolarHBondContact NH2-OD2 3.18Å; R70-D131 PolarHBondContact O-N 3.25Å
132D93.8Very high85.9Confident35 Ų3548.5 Ų48.519%0.18726%0.259CS..EExtended strand (participates in β ladder)trans-139.2148.4-178.4-63.2-79.9000110.4P43 K69 V71 A72P43-D132 HydrophobicContact CG-CB 4.41Å; P43-D132 WeakPolarHBondContact CG-OD1 3.46Å; K69-D132 IonicContact NZ-OD2 3.6Å; V71-D132 HydrophobicContact CG1-CB 4.46Å; V71-D132 HydrophobicContact CG2-CB 4.37Å; A72-D132 PolarHBondContact N-O 3.25Å
133I92.9Very high86Confident2 Ų246 Ų461%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-112.1133.1171-60174.8000109.7I42 P43 V44 T45 A72 I74 I120 L123 M124 F130 I160I42-I133 HydrophobicContact CG2-CD1 4.21Å; I42-I133 HydrophobicContact CG2-CG1 3.91Å; P43-I133 PolarHBondContact O-N 2.88Å; V44-I133 WeakPolarHBondContact CA-O 3.09Å; V44-I133 HydrophobicContact CB-CB 4.49Å; V44-I133 HydrophobicContact CG1-CB 4.41Å; V44-I133 HydrophobicContact CG1-CG2 4.16Å; V44-I133 HydrophobicContact CG2-CB 4.1Å; V44-I133 HydrophobicContact CG2-CD1 4.18Å; V44-I133 HydrophobicContact CG2-CG2 4.44Å; T45-I133 PolarHBondContact N-O 2.96Å; A72-I133 CarbonylContact O-C 3.54Å; A72-I133 WeakPolarHBondContact O-CA 3.2Å; I74-I133 HydrophobicContact CD1-CG2 4.05Å; I120-I133 HydrophobicContact CG1-CG2 4.48Å; I120-I133 HydrophobicContact CG2-CD1 4.13Å; L123-I133 HydrophobicContact CD2-CD1 3.86Å; L123-I133 HydrophobicContact CD2-CG1 3.87Å; L123-I133 HydrophobicContact CD2-CG2 4.39Å; M124-I133 HydrophobicContact SD-CD1 4.33Å; F130-I133 HydrophobicContact CD2-CG1 3.95Å; F130-I133 HydrophobicContact CE2-CD1 3.8Å; F130-I133 HydrophobicContact CE2-CG1 3.61Å; I133-I160 HydrophobicContact CD1-CG2 4.35Å
134L93.7Very high86Confident14 Ų1447.7 Ų47.77%0.07326%0.263CS..EExtended strand (participates in β ladder)trans-118.3114.2175.1-158.863.3000109.7T45 I47 L59 I62 V71 A72 V73 I74T45-L134 HydrophobicContact CG2-CD1 3.75Å; T45-L134 WeakPolarHBondContact O-CA 3.19Å; I47-L134 HydrophobicContact CD1-CD1 3.58Å; I47-L134 HydrophobicContact CD1-CD2 3.54Å; I47-L134 HydrophobicContact CD1-CG 3.64Å; I47-L134 HydrophobicContact CG1-CD1 3.66Å; I47-L134 HydrophobicContact CG1-CD2 4.45Å; I47-L134 HydrophobicContact CG1-CG 4.01Å; L59-L134 HydrophobicContact CD2-CD2 3.42Å; L59-L134 VanDerWaalsContact CD2-CD2 3.42Å; L59-L134 HydrophobicContact CD2-CG 4.15Å; I62-L134 HydrophobicContact CD1-CD2 3.55Å; V71-L134 HydrophobicContact CG1-CB 3.97Å; A72-L134 PolarHBondContact O-N 2.71Å; V73-L134 CarbonylContact C-O 3.5Å; V73-L134 WeakPolarHBondContact CA-O 3.46Å; V73-L134 HydrophobicContact CG2-CB 4.13Å; V73-L134 HydrophobicContact CG2-CD2 4.21Å; I74-L134 PolarHBondContact N-O 2.8Å
135L91.4Very high85.8Confident3 Ų348.1 Ų48.12%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-103.2108.8179.3178.860.7000109.6V44 T45 I46 I47 I74 V146 F150V44-L135 HydrophobicContact CG1-CB 4.48Å; T45-L135 PolarHBondContact O-N 3.46Å; I46-L135 CarbonylContact C-O 3.58Å; I46-L135 WeakPolarHBondContact CA-O 3.23Å; I47-L135 PolarHBondContact N-O 3.45Å; I74-L135 HydrophobicContact CB-CD1 3.82Å; I74-L135 HydrophobicContact CG2-CD1 3.64Å; L135-V146 HydrophobicContact CD2-CG1 3.56Å; L135-F150 HydrophobicContact CD2-CE2 4.43Å; L135-F150 HydrophobicContact CD2-CZ 4.29Å
136E90.1Very high85.6Confident23 Ų2341.7 Ų41.711%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-73.8131.5168.4-167.4-149.4173.800109.4K55 L59 I74 L75 N76K55-E136 HydrophobicContact CD-CG 4.46Å; K55-E136 VanDerWaalsContact CE-OE1 3.28Å; K55-E136 WeakPolarHBondContact CE-OE1 3.37Å; L59-E136 HydrophobicContact CD1-CB 3.88Å; L59-E136 HydrophobicContact CD1-CG 3.82Å; I74-E136 PolarHBondContact O-N 3.37Å; L75-E136 HydrophobicContact CD2-CB 4.3Å; N76-E136 WeakPolarHBondContact CB-O 3.26Å; N76-E136 PolarHBondContact N-O 3.4Å
137T85.3Confident85.6Confident0 Ų039.3 Ų39.30%024%0.236CC..PPolyproline II helixtrans-100.9148.6165.6560000110.2I46 I47 T48 V146I46-T137 HydrophobicContact CG2-CG2 3.67Å; I47-T137 PolarHBondContact O-N 3.37Å; I47-T137 PolarHBondContact O-OG1 3.43Å; T48-T137 WeakPolarHBondContact CA-OG1 3.35Å; T48-T137 WeakPolarHBondContact CB-OG1 3.47Å; T48-T137 PolarHBondContact OG1-OG1 3.46Å; T137-V146 HydrophobicContact CG2-CB 4.41Å; T137-V146 HydrophobicContact CG2-CG1 4.35Å; T137-V146 HydrophobicContact CG2-CG2 4.01Å
138T77.2Confident85.4Confident45 Ų4538 Ų3828%0.27624%0.239SC..PPolyproline II helixtrans-59.7153.1174.170.90000110N76 L140 A141N76-T138 WeakPolarHBondContact O-CG2 3.31Å; T138-L140 PolarHBondContact O-N 3.35Å; T138-A141 PolarHBondContact O-N 3.3Å; T138-A141 WeakPolarHBondContact OG1-CB 3.25Å; T138-A141 PolarHBondContact OG1-N 3.19Å
139G73Confident85Confident10 Ų1038.7 Ų38.710%0.10323%0.229CC..THydrogen-bonded Turntrans-67.54.2-178.400000116G49 W180G49-G139 WeakPolarHBondContact O-CA 3.18Å; G139-W180 PolarHBondContact O-NE1 2.63Å
140L72.2Confident84.3Confident147 Ų14734.5 Ų34.577%0.7721%0.211SC*.THydrogen-bonded Turntrans-123.1-5.2174.8-61176000112.5Y50 T138Y50-L140 HydrophobicContact CE2-CD2 4.27Å; T138-L140 PolarHBondContact O-N 3.35Å
141A77.4Confident83.3Confident24 Ų2443.8 Ų43.820%0.19825%0.246CC..SBendtrans-74.3141.4178.300000110.3T138 P143T138-A141 PolarHBondContact O-N 3.3Å; T138-A141 WeakPolarHBondContact OG1-CB 3.25Å; T138-A141 PolarHBondContact OG1-N 3.19Å; A141-P143 WeakPolarHBondContact O-CD 3.06Å
142D81.8Confident81.7Confident88 Ų8844.8 Ų44.847%0.47126%0.255SS..  trans-74.8112170.5175.3-0.3000109G144 A145 V146D142-G144 PolarHBondContact O-N 3.42Å; D142-G144 WeakPolarHBondContact OD1-CA 3.26Å; D142-G144 PolarHBondContact OD1-N 3.18Å; D142-A145 HydrophobicContact CB-CB 4.11Å; D142-A145 PolarHBondContact O-N 3.01Å; D142-A145 PolarHBondContact OD1-N 3.24Å; D142-V146 PolarHBondContact O-N 3.24Å
143P84Confident80.2Confident2 Ų245.2 Ų45.21%0.01326%0.257CS..Hα-helixtrans-67.3-24.9179.331.1-35.8000112I46 T48 A141 V146 A147 I165 T182I46-P143 HydrophobicContact CG2-CB 4.47Å; T48-P143 HydrophobicContact CG2-CB 4.22Å; T48-P143 HydrophobicContact CG2-CG 4.23Å; A141-P143 WeakPolarHBondContact O-CD 3.06Å; P143-V146 PolarHBondContact O-N 2.68Å; P143-A147 VanDerWaalsContact O-CB 3.24Å; P143-A147 WeakPolarHBondContact O-CB 3.28Å; P143-A147 PolarHBondContact O-N 3Å; P143-I165 HydrophobicContact CB-CD1 4.4Å; P143-I165 HydrophobicContact CB-CG2 3.93Å; P143-T182 VanDerWaalsContact CG-OXT 3.31Å; P143-T182 WeakPolarHBondContact CG-OXT 3.25Å
144G85.4Confident78.5Confident36 Ų3647.8 Ų47.837%0.37128%0.278SS..Hα-helixtrans-65.9-41.6174.900000112.5D142 V146 A147 S148D142-G144 PolarHBondContact O-N 3.42Å; D142-G144 WeakPolarHBondContact OD1-CA 3.26Å; D142-G144 PolarHBondContact OD1-N 3.18Å; G144-V146 VanDerWaalsContact C-N 3.31Å; G144-V146 PolarHBondContact O-N 3.03Å; G144-A147 PolarHBondContact O-N 3.47Å; G144-S148 WeakPolarHBondContact O-CB 3.01Å; G144-S148 PolarHBondContact O-N 3.09Å
145A83Confident76.4Confident45 Ų4554.9 Ų54.937%0.37231%0.311SS..Hα-helixtrans-61.6-40.2174.500000111.7D142 S148D142-A145 HydrophobicContact CB-CB 4.11Å; D142-A145 PolarHBondContact O-N 3.01Å; D142-A145 PolarHBondContact OD1-N 3.24Å; A145-S148 PolarHBondContact O-OG 3.3Å
146V82Confident74.3Confident21 Ų2161.1 Ų61.113%0.12734%0.344CS..Hα-helixtrans-70.1-44.1176.3179.90000111.1I46 L135 T137 D142 P143 G144 S148 M149 F150I46-V146 HydrophobicContact CD1-CB 4.23Å; I46-V146 HydrophobicContact CD1-CG1 3.8Å; I46-V146 HydrophobicContact CG1-CG1 4.47Å; L135-V146 HydrophobicContact CD2-CG1 3.56Å; T137-V146 HydrophobicContact CG2-CB 4.41Å; T137-V146 HydrophobicContact CG2-CG1 4.35Å; T137-V146 HydrophobicContact CG2-CG2 4.01Å; D142-V146 PolarHBondContact O-N 3.24Å; P143-V146 PolarHBondContact O-N 2.68Å; G144-V146 VanDerWaalsContact C-N 3.31Å; G144-V146 PolarHBondContact O-N 3.03Å; V146-S148 VanDerWaalsContact C-N 3.31Å; V146-S148 PolarHBondContact O-N 3.01Å; V146-M149 WeakPolarHBondContact O-CB 3.3Å; V146-M149 PolarHBondContact O-N 3.09Å; V146-F150 HydrophobicContact CG1-CE2 4.23Å; V146-F150 WeakPolarHBondContact O-CD2 3.45Å
147A86.2Confident72.7Confident15 Ų1562.9 Ų62.912%0.12437%0.368CS..Hα-helixtrans-60.1-38.8177.300000112.7I46 P143 G144 M149 F150 L162 I165I46-A147 HydrophobicContact CD1-CB 4.19Å; P143-A147 VanDerWaalsContact O-CB 3.24Å; P143-A147 WeakPolarHBondContact O-CB 3.28Å; P143-A147 PolarHBondContact O-N 3Å; G144-A147 PolarHBondContact O-N 3.47Å; A147-M149 PolarHBondContact O-N 3.23Å; A147-M149 VanDerWaalsContact O-N 3.15Å; A147-F150 PolarHBondContact O-N 2.74Å; A147-F150 VanDerWaalsContact O-N 3.08Å; A147-L162 HydrophobicContact CB-CD2 3.64Å; A147-I165 HydrophobicContact CB-CD1 3.9Å
148S83.3Confident71.9Confident65 Ų6563.7 Ų63.746%0.45537%0.374SS..Hα-helixtrans-58.6-28.5179.575.90000113.3G144 A145 V146 F150 W151 V152G144-S148 WeakPolarHBondContact O-CB 3.01Å; G144-S148 PolarHBondContact O-N 3.09Å; A145-S148 PolarHBondContact O-OG 3.3Å; V146-S148 VanDerWaalsContact C-N 3.31Å; V146-S148 PolarHBondContact O-N 3.01Å; S148-F150 VanDerWaalsContact C-N 3.31Å; S148-F150 PolarHBondContact O-N 3.33Å; S148-W151 WeakPolarHBondContact O-CB 2.94Å; S148-W151 PolarHBondContact O-N 3.28Å; S148-V152 PolarHBondContact O-N 2.78Å
149M77.4Confident72.2Confident63 Ų6365.4 Ų65.431%0.3138%0.381SS..Hα-helixtrans-64.9-36.4178.4-59.3178.2-169.500112.1L117 V146 A147 W151 D153L117-M149 HydrophobicContact CD1-CB 3.74Å; L117-M149 HydrophobicContact CD1-CG 3.96Å; L117-M149 HydrophobicContact CD1-SD 3.62Å; L117-M149 HydrophobicContact CD2-CB 3.83Å; L117-M149 HydrophobicContact CD2-SD 4.4Å; L117-M149 HydrophobicContact CG-CB 4.02Å; L117-M149 HydrophobicContact CG-CG 4.38Å; L117-M149 HydrophobicContact CG-SD 3.69Å; V146-M149 WeakPolarHBondContact O-CB 3.3Å; V146-M149 PolarHBondContact O-N 3.09Å; A147-M149 PolarHBondContact O-N 3.23Å; A147-M149 VanDerWaalsContact O-N 3.15Å; M149-W151 VanDerWaalsContact C-N 3.31Å; M149-D153 PolarHBondContact O-N 3.27Å
150F76.9Confident72.9Confident10 Ų1065.3 Ų65.34%0.04438%0.378CS..Hα-helixtrans-73.3-25.7177.9-62.6-82.1000112.4V44 I46 I120 L135 V146 A147 S148 A154 I160 L162V44-F150 HydrophobicContact CB-CE1 4.1Å; V44-F150 HydrophobicContact CB-CZ 4.37Å; V44-F150 HydrophobicContact CG1-CE1 3.89Å; V44-F150 HydrophobicContact CG1-CE2 4.43Å; V44-F150 HydrophobicContact CG1-CZ 3.69Å; V44-F150 HydrophobicContact CG2-CD1 4.45Å; V44-F150 HydrophobicContact CG2-CE1 3.88Å; I46-F150 HydrophobicContact CD1-CE2 4.24Å; I120-F150 HydrophobicContact CD1-CE1 3.66Å; I120-F150 HydrophobicContact CD1-CZ 3.51Å; L135-F150 HydrophobicContact CD2-CE2 4.43Å; L135-F150 HydrophobicContact CD2-CZ 4.29Å; V146-F150 HydrophobicContact CG1-CE2 4.23Å; V146-F150 WeakPolarHBondContact O-CD2 3.45Å; A147-F150 PolarHBondContact O-N 2.74Å; A147-F150 VanDerWaalsContact O-N 3.08Å; S148-F150 VanDerWaalsContact C-N 3.31Å; S148-F150 PolarHBondContact O-N 3.33Å; F150-A154 PolarHBondContact O-N 2.87Å; F150-I160 HydrophobicContact CD1-CD1 4.03Å; F150-I160 HydrophobicContact CE1-CD1 3.89Å; F150-L162 HydrophobicContact CB-CB 4.01Å; F150-L162 HydrophobicContact CD2-CD1 4.31Å; F150-L162 HydrophobicContact CG-CB 4.28Å
151W68.9Low73.6Confident199 Ų19963 Ų6375%0.75436%0.36SS*.Hα-helixtrans-68.8-43.3175.1-167.9-82.1000111.8S148 M149 D153 A154S148-W151 WeakPolarHBondContact O-CB 2.94Å; S148-W151 PolarHBondContact O-N 3.28Å; M149-W151 VanDerWaalsContact C-N 3.31Å; W151-D153 VanDerWaalsContact C-N 3.26Å; W151-D153 PolarHBondContact O-N 3.45Å; W151-A154 PolarHBondContact O-N 2.94Å
152V60.3Low74.2Confident93 Ų9364.6 Ų64.656%0.56437%0.365SS*.Hα-helixtrans-64.3-33.8177.5179.60000111.2S148S148-V152 PolarHBondContact O-N 2.78Å
153D62.1Low74.8Confident44 Ų4465 Ų6524%0.23537%0.367CS..Hα-helixtrans-81.4-22.3179.8-1583.5000113.4M149 W151 E155 L156 G157 S158M149-D153 PolarHBondContact O-N 3.27Å; W151-D153 VanDerWaalsContact C-N 3.26Å; W151-D153 PolarHBondContact O-N 3.45Å; D153-E155 VanDerWaalsContact C-N 3.25Å; D153-E155 PolarHBondContact O-N 2.89Å; D153-L156 WeakPolarHBondContact O-CA 3.45Å; D153-L156 WeakPolarHBondContact O-CB 3.17Å; D153-L156 PolarHBondContact O-N 3.1Å; D153-G157 PolarHBondContact O-N 3.08Å; D153-S158 PolarHBondContact O-OG 3.07Å; D153-S158 WeakPolarHBondContact OD1-CB 3.24Å
154A55.8Low75.2Confident56 Ų5666 Ų6646%0.46338%0.378SS..Hα-helixtrans-63.9-31.8175.100000112.4F150 W151 L156F150-A154 PolarHBondContact O-N 2.87Å; W151-A154 PolarHBondContact O-N 2.94Å; A154-L156 PolarHBondContact O-N 3.33Å
155E51.6Low75.6Confident164 Ų16467.8 Ų67.877%0.76638%0.378SS*.THydrogen-bonded Turntrans-70.8-16.2172.4-75.3174.8157.400112.8D153D153-E155 VanDerWaalsContact C-N 3.25Å; D153-E155 PolarHBondContact O-N 2.89Å
156L46.7Very low76.1Confident133 Ų13369.8 Ų69.870%0.69638%0.382SS*.THydrogen-bonded Turntrans-94.9-0.8-179.8-80.1145.4000114D153 A154D153-L156 WeakPolarHBondContact O-CA 3.45Å; D153-L156 WeakPolarHBondContact O-CB 3.17Å; D153-L156 PolarHBondContact O-N 3.1Å; A154-L156 PolarHBondContact O-N 3.33Å
157G55.8Low76.6Confident60 Ų6071.5 Ų71.562%0.61939%0.392SS*.THydrogen-bonded Turntrans78.135177.800000113.5D153D153-G157 PolarHBondContact O-N 3.08Å
158S68.4Low76.9Confident17 Ų1772.3 Ų72.312%0.11939%0.394CS..  trans-63.1143.6-179.162.10000113.4K41 D153 I160K41-S158 VanDerWaalsContact CE-O 3.23Å; K41-S158 WeakPolarHBondContact CE-O 3.06Å; K41-S158 PolarHBondContact NZ-O 2.98Å; K41-S158 VanDerWaalsContact NZ-O 3.15Å; D153-S158 PolarHBondContact O-OG 3.07Å; D153-S158 WeakPolarHBondContact OD1-CB 3.24Å; S158-I160 PolarHBondContact O-N 3.09Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 PolarHBondContact OG-O 3.21Å
159D84.1Confident77.3Confident81 Ų8173.3 Ų73.343%0.43340%0.397SS..SBendtrans-71.88.8175.6-92.2-32.4000113.1K41 I42 M124 K127K41-D159 CarbonylContact C-O 3.57Å; K41-D159 VanDerWaalsContact CA-O 3.25Å; K41-D159 WeakPolarHBondContact CA-O 3.48Å; I42-D159 PolarHBondContact N-O 3.46Å; M124-D159 HydrophobicContact CE-CB 3.45Å; M124-D159 VanDerWaalsContact CE-CB 3.45Å; K127-D159 IonicContact NZ-OD1 2.84Å; K127-D159 PolarHBondContact NZ-OD1 2.84Å; K127-D159 IonicContact NZ-OD2 2.84Å; K127-D159 PolarHBondContact NZ-OD2 3.47Å
160I86.8Confident77.8Confident8 Ų872.8 Ų72.84%0.04140%0.396CS..EExtended strand (participates in β ladder)trans-132.6163.8-177.567.8180000110.1I42 V44 I120 M124 I133 F150 S158I42-I160 HydrophobicContact CB-CG2 4.22Å; I42-I160 CarbonylContact O-C 3.55Å; I42-I160 WeakPolarHBondContact O-CA 3.41Å; V44-I160 HydrophobicContact CG2-CB 4.06Å; V44-I160 HydrophobicContact CG2-CD1 4.25Å; I120-I160 HydrophobicContact CG2-CD1 3.53Å; M124-I160 HydrophobicContact CE-CG2 3.79Å; M124-I160 HydrophobicContact CG-CG2 4.21Å; M124-I160 HydrophobicContact SD-CG2 3.45Å; M124-I160 WeakPolarHBondContact SD-CG2 3.25Å; I133-I160 HydrophobicContact CD1-CG2 4.35Å; F150-I160 HydrophobicContact CD1-CD1 4.03Å; F150-I160 HydrophobicContact CE1-CD1 3.89Å; S158-I160 PolarHBondContact O-N 3.09Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 PolarHBondContact OG-O 3.21Å
161Y88.2Confident78.5Confident100 Ų10078.1 Ų78.139%0.39243%0.434SS..EExtended strand (participates in β ladder)trans-148.8152.7169.769.4-76000110.5K41 I42 P43 V44 D163K41-Y161 HydrophobicContact CB-CD1 3.6Å; K41-Y161 HydrophobicContact CB-CE1 4.18Å; I42-Y161 PolarHBondContact O-N 2.89Å; P43-Y161 CarbonylContact C-O 3.57Å; P43-Y161 HydrophobicContact CB-CE1 3.82Å; P43-Y161 HydrophobicContact CB-CE2 4.35Å; V44-Y161 PolarHBondContact N-O 3.46Å; Y161-D163 HydrophobicContact CE2-CB 4.03Å; Y161-D163 PolarHBondContact O-N 3.03Å
162L90.3Very high79.4Confident57 Ų5775.4 Ų75.430%0.29843%0.428SS..EExtended strand (participates in β ladder)trans-73.8114170.9-17868.2000108.8I46 A147 F150I46-L162 HydrophobicContact CD1-CD1 3.66Å; I46-L162 HydrophobicContact CG1-CD1 3.86Å; A147-L162 HydrophobicContact CB-CD2 3.64Å; F150-L162 HydrophobicContact CB-CB 4.01Å; F150-L162 HydrophobicContact CD2-CD1 4.31Å; F150-L162 HydrophobicContact CG-CB 4.28Å
163D92.9Very high80.5Confident96 Ų9676.3 Ų76.351%0.51342%0.422SS..EExtended strand (participates in β ladder)trans-82.7-46.5177.4-179.455.5000111P43 V44 T45 Y161P43-D163 HydrophobicContact CB-CB 3.69Å; V44-D163 PolarHBondContact O-N 3.19Å; T45-D163 PolarHBondContact OG1-OD2 3.4Å; Y161-D163 HydrophobicContact CE2-CB 4.03Å; Y161-D163 PolarHBondContact O-N 3.03Å
164G93Very high81.3Confident24 Ų2475.5 Ų75.525%0.24742%0.424CS..EExtended strand (participates in β ladder)trans-173.9170.1179.300000115T45 I46T45-G164 WeakPolarHBondContact CA-O 3.47Å; I46-G164 PolarHBondContact N-O 2.87Å
165I93.3Very high82.4Confident72 Ų7280.5 Ų80.537%0.36944%0.442SS..EExtended strand (participates in β ladder)trans-116.8116.2172.6-55.7172.6000107.4I46 T48 P143 A147I46-I165 HydrophobicContact CB-CG1 4.19Å; I46-I165 HydrophobicContact CB-CG2 4.39Å; I46-I165 HydrophobicContact CD1-CG1 4.25Å; I46-I165 HydrophobicContact CG2-CG2 4.29Å; I46-I165 CarbonylContact O-C 3.54Å; I46-I165 WeakPolarHBondContact O-CA 3.27Å; T48-I165 HydrophobicContact CG2-CG2 4.03Å; P143-I165 HydrophobicContact CB-CD1 4.4Å; P143-I165 HydrophobicContact CB-CG2 3.93Å; A147-I165 HydrophobicContact CB-CD1 3.9Å
166I94.8Very high83.4Confident87 Ų8779.8 Ų79.845%0.44644%0.437SS..EExtended strand (participates in β ladder)trans-102.3120.7177.9-60.9179.7000109T45 I46 I47 T48T45-I166 HydrophobicContact CG2-CD1 3.61Å; T45-I166 HydrophobicContact CG2-CG1 3.82Å; I46-I166 PolarHBondContact O-N 3.02Å; I47-I166 WeakPolarHBondContact CA-O 3.49Å; I47-I166 HydrophobicContact CG1-CB 4.47Å; T48-I166 PolarHBondContact N-O 3.44Å
167T92.3Very high84.4Confident57 Ų5774.2 Ų74.235%0.3541%0.41SS..EExtended strand (participates in β ladder)trans-107.1110.2-176.5-62.10000109.4T48 V169 W180 T182T48-T167 HydrophobicContact CG2-CG2 4.27Å; T48-T167 WeakPolarHBondContact CG2-OG1 3.43Å; T167-V169 HydrophobicContact CG2-CG2 4.04Å; T167-W180 HydrophobicContact CG2-CH2 3.28Å; T167-W180 HydrophobicContact CG2-CZ2 4.22Å; T167-W180 HydrophobicContact CG2-CZ3 3.87Å; T167-T182 HydrophobicContact CG2-CG2 3.85Å
168I91.9Very high84.5Confident32 Ų3279.9 Ų79.916%0.16442%0.417CS..EExtended strand (participates in β ladder)trans-87126.4176.7-48.3-175000109.5I47 T48 G49 A53 K55 L58I47-I168 HydrophobicContact CG2-CD1 3.92Å; I47-I168 HydrophobicContact CG2-CG1 4.23Å; T48-I168 PolarHBondContact O-N 3.03Å; G49-I168 VanDerWaalsContact CA-O 3.26Å; G49-I168 WeakPolarHBondContact CA-O 3.45Å; A53-I168 HydrophobicContact CB-CB 4.36Å; A53-I168 HydrophobicContact CB-CG2 4.21Å; A53-I168 VanDerWaalsContact CB-O 3.31Å; A53-I168 WeakPolarHBondContact CB-O 3.08Å; A53-I168 WeakPolarHBondContact O-CG2 3.32Å; K55-I168 HydrophobicContact CB-CD1 4.27Å; K55-I168 HydrophobicContact CG-CB 4.41Å; K55-I168 HydrophobicContact CG-CD1 3.92Å; K55-I168 HydrophobicContact CG-CG1 4.4Å; L58-I168 HydrophobicContact CB-CD1 4.16Å; L58-I168 HydrophobicContact CD2-CD1 3.57Å; L58-I168 HydrophobicContact CD2-CG1 4.49Å
169V90.9Very high84.2Confident86 Ų8686.7 Ų86.752%0.52145%0.452SS..  trans-122.7125.4-177.7-175.60000109.8T167 S171 W180T167-V169 HydrophobicContact CG2-CG2 4.04Å; V169-S171 PolarHBondContact O-N 2.99Å; V169-W180 HydrophobicContact CG2-CZ3 4.42Å
170D89.4Confident83.1Confident52 Ų5285 Ų8528%0.27844%0.44SS..  trans-74.1118.5167-179-51.3000108.9K172 Y173 G174D170-K172 VanDerWaalsContact C-N 3.27Å; D170-K172 PolarHBondContact O-N 2.82Å; D170-K172 WeakPolarHBondContact OD1-CA 3.33Å; D170-K172 VanDerWaalsContact OD1-CB 3.26Å; D170-K172 WeakPolarHBondContact OD1-CB 3.36Å; D170-K172 PolarHBondContact OD1-N 3.27Å; D170-Y173 PolarHBondContact O-N 2.86Å; D170-Y173 WeakPolarHBondContact OD1-CD2 3.39Å; D170-Y173 PolarHBondContact OD1-N 3.22Å; D170-Y173 WeakPolarHBondContact OD2-CD2 3.19Å; D170-G174 WeakPolarHBondContact O-CA 3.04Å; D170-G174 PolarHBondContact O-N 2.97Å
171S89.9Confident81.6Confident122 Ų12290.4 Ų90.485%0.85347%0.473SS*.THydrogen-bonded Turntrans-66-26.4-176.757.70000114V169V169-S171 PolarHBondContact O-N 2.99Å
172K88.1Confident79.9Confident143 Ų14390.9 Ų90.962%0.62249%0.487SS*.THydrogen-bonded Turntrans-78.2-34.4178.6-177.7178.4178.6-177.40111.9D170D170-K172 VanDerWaalsContact C-N 3.27Å; D170-K172 PolarHBondContact O-N 2.82Å; D170-K172 WeakPolarHBondContact OD1-CA 3.33Å; D170-K172 VanDerWaalsContact OD1-CB 3.26Å; D170-K172 WeakPolarHBondContact OD1-CB 3.36Å; D170-K172 PolarHBondContact OD1-N 3.27Å
173Y84.7Confident79.4Confident112 Ų11292.6 Ų92.644%0.43950%0.496SS..THydrogen-bonded Turntrans-114.4-8.1-174.2-56.3-68.1000114.7D170 L175 K176 A177D170-Y173 PolarHBondContact O-N 2.86Å; D170-Y173 WeakPolarHBondContact OD1-CD2 3.39Å; D170-Y173 PolarHBondContact OD1-N 3.22Å; D170-Y173 WeakPolarHBondContact OD2-CD2 3.19Å; Y173-L175 PolarHBondContact O-N 3.01Å; Y173-K176 HydrophobicContact CD1-CD 4.27Å; Y173-K176 WeakPolarHBondContact O-CA 3.22Å; Y173-K176 WeakPolarHBondContact O-CB 3.13Å; Y173-K176 PolarHBondContact O-N 3.42Å; Y173-A177 PolarHBondContact O-N 3.38Å
174G79Confident78.7Confident27 Ų2792.4 Ų92.428%0.27850%0.495SS..G310 helixtrans-58-43.9-172.700000113.2D170 K176 A177D170-G174 WeakPolarHBondContact O-CA 3.04Å; D170-G174 PolarHBondContact O-N 2.97Å; G174-K176 PolarHBondContact O-N 2.88Å; G174-A177 WeakPolarHBondContact O-CB 3.48Å; G174-A177 PolarHBondContact O-N 3.05Å
175L77.6Confident77.9Confident161 Ų16196.2 Ų96.284%0.84351%0.509SS*.G310 helixtrans-70-14.5176-63.4174.7000113.8Y173 K178Y173-L175 PolarHBondContact O-N 3.01Å; L175-K178 WeakPolarHBondContact O-CG 3.18Å
176K73.6Confident77Confident148 Ų14897.6 Ų97.664%0.64352%0.517SS*.G310 helixtrans-90.2-14.4176.3-60.5-179.7-174.9171.90112.3Y173 G174 K178Y173-K176 HydrophobicContact CD1-CD 4.27Å; Y173-K176 WeakPolarHBondContact O-CA 3.22Å; Y173-K176 WeakPolarHBondContact O-CB 3.13Å; Y173-K176 PolarHBondContact O-N 3.42Å; G174-K176 PolarHBondContact O-N 2.88Å; K176-K178 PolarHBondContact O-N 3.03Å
177A67.8Low75.9Confident16 Ų1698.3 Ų98.313%0.13252%0.522CS..  trans-74.35217200000110.9Y50 Y173 G174 N179 W180Y50-A177 HydrophobicContact CD1-CB 4.26Å; Y50-A177 HydrophobicContact CD2-CB 4.36Å; Y50-A177 HydrophobicContact CG-CB 4.11Å; Y173-A177 PolarHBondContact O-N 3.38Å; G174-A177 WeakPolarHBondContact O-CB 3.48Å; G174-A177 PolarHBondContact O-N 3.05Å; A177-N179 PolarHBondContact O-N 3.01Å; A177-W180 HydrophobicContact CB-CB 4.05Å; A177-W180 PolarHBondContact O-N 3.17Å
178K58.3Low74.8Confident180 Ų180101 Ų10178%0.78353%0.533SS*.THydrogen-bonded Turntrans-64.2-10.1-169.6-67.3-169.9174.7-1730115.1L175 K176L175-K178 WeakPolarHBondContact O-CG 3.18Å; K176-K178 PolarHBondContact O-N 3.03Å
179N60.9Low73.6Confident159 Ų159105.9 Ų105.985%0.8556%0.559SS**THydrogen-bonded Turntrans-120.712179.3-62.5-18.7000112.4A177A177-N179 PolarHBondContact O-N 3.01Å
180W61.9Low72.3Confident47 Ų47107.5 Ų107.518%0.17856%0.562CS.*  trans-91.9106.5173.1-176.955.3000108.6T48 G49 Y50 G139 T167 V169 A177 T182T48-W180 HydrophobicContact CG2-CZ2 4.31Å; G49-W180 VanDerWaalsContact CA-CH2 3.44Å; Y50-W180 HydrophobicContact CD2-CB 3.98Å; Y50-W180 AromaticContact CD2-CG 3.99Å; Y50-W180 HydrophobicContact CD2-CG 3.99Å; G139-W180 PolarHBondContact O-NE1 2.63Å; T167-W180 HydrophobicContact CG2-CH2 3.28Å; T167-W180 HydrophobicContact CG2-CZ2 4.22Å; T167-W180 HydrophobicContact CG2-CZ3 3.87Å; V169-W180 HydrophobicContact CG2-CZ3 4.42Å; A177-W180 HydrophobicContact CB-CB 4.05Å; A177-W180 PolarHBondContact O-N 3.17Å; W180-T182 HydrophobicContact CE3-CG2 4.45Å; W180-T182 HydrophobicContact CH2-CG2 3.93Å; W180-T182 HydrophobicContact CZ2-CG2 4.06Å; W180-T182 HydrophobicContact CZ3-CG2 4.09Å
181T55.7Low70.8Confident120 Ų120112.1 Ų112.174%0.73659%0.586SS**  trans-91.4120.2172.130.20000109.1
182T52.6Low69.1Low110 Ų110111.2 Ų111.268%0.67556%0.562SS**  trans-77.50160.650.60000110.9P143 T167 W180P143-T182 VanDerWaalsContact CG-OXT 3.31Å; P143-T182 WeakPolarHBondContact CG-OXT 3.25Å; T167-T182 HydrophobicContact CG2-CG2 3.85Å; W180-T182 HydrophobicContact CE3-CG2 4.45Å; W180-T182 HydrophobicContact CH2-CG2 3.93Å; W180-T182 HydrophobicContact CZ2-CG2 4.06Å; W180-T182 HydrophobicContact CZ3-CG2 4.09Å

Retrieved 182 of 182 residues in 53.7 ms (Link to these results)