A0A087WTC0_HUMAN Loading...

Zn regulated GTPase metalloprotein activator 1A

AlphaFold DB , UniProt , Accession A0A087WTC0, Species HUMAN (Homo sapiens, Human), Gene ZNG1A, Length 160 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
1M40.1Very low37.2Very low236 Ų236137.5 Ų137.5100%1.16382%0.818SS**  0137.20-85.355.1174.500108.6
2L41.9Very low37.3Very low163 Ų163140.6 Ų140.685%0.85382%0.818SS**  trans-80170.2153.7-71.7170.1000108
3P42.5Very low37.3Very low116 Ų116141.9 Ų141.975%0.75382%0.82SS**  cis-120.2-17822.540.4-22000112.8
4A34.5Very low37.8Very low86 Ų86140.2 Ų140.271%0.71182%0.816SS**  cis71.4151.927.200000114.9
5V35Very low38.1Very low145 Ų145136.9 Ų136.988%0.87981%0.812SS**  cis-170.1154.8-30.663.30000108
6G31.5Very low39.1Very low69 Ų69139.6 Ų139.671%0.71181%0.814SS**  trans84.8167.316700000116.9
7S34.7Very low39.5Very low113 Ų113142.3 Ų142.379%0.7982%0.817SS**  cis-174.7155.5-10.246.60000111.7
8A37.3Very low39.8Very low85 Ų85142.1 Ų142.170%0.70281%0.812SS**  trans63.5172.5161.100000116.2
9D34Very low40.3Very low148 Ų148140.3 Ų140.379%0.79181%0.808SS**  cis-128.9-177.33.5-47.4-88.7000108.8
10E39.6Very low40.9Very low176 Ų176138.9 Ų138.982%0.82280%0.804SS**  cis-157.8-164.61.3-146.9168.2172.300108.8
11E37.8Very low41.6Very low176 Ų176141 Ų14182%0.82281%0.807SS**  trans68.4139169.3-59.8179-175.400119.1
12E38.7Very low42.1Very low174 Ų174137.6 Ų137.681%0.81379%0.792SS**  cis-156.1145.3-12.3-124.6-172.8176.800109.4
13D37.3Very low42.7Very low158 Ų158135.7 Ų135.785%0.84579%0.787SS**  trans-86.5140170.9-99.2-49.9000110.8
14P44.4Very low42.9Very low118 Ų118135.9 Ų135.977%0.76679%0.788SS**  -151.9174.1107.139.2-23.1000116.7
15A42.7Very low43.7Very low91 Ų91138.9 Ų138.975%0.75279%0.791SS**  trans88.269.1164.300000117.8E17A15-E17 PolarHBondContact O-N 3.09Å; A15-E17 VanDerWaalsContact O-N 3.09Å
16E54.3Low44.4Very low180 Ų180140.2 Ų140.284%0.84179%0.787SS**  trans-22.199.4136-61.8-81.2-179.600114.6
17E44.7Very low45.1Very low185 Ų185142.7 Ų142.786%0.86479%0.789SS**  trans-122.478.6151-78.7-158.1141.400108.6A15 C19A15-E17 PolarHBondContact O-N 3.09Å; A15-E17 VanDerWaalsContact O-N 3.09Å; E17-C19 PolarHBondContact O-N 3.09Å; E17-C19 VanDerWaalsContact O-N 3.09Å
18D45.7Very low45.4Very low138 Ų138142.5 Ų142.574%0.73878%0.783SS**  trans-59.3110.9176.8-173.16.7000110.4P20D18-P20 VanDerWaalsContact O-CD 3.27Å; D18-P20 WeakPolarHBondContact O-CD 3.27Å
19C48.8Very low46Very low109 Ų109146.9 Ų146.974%0.73679%0.789SS**  trans-78.8106175.6-70.20000108E17 E21E17-C19 PolarHBondContact O-N 3.09Å; E17-C19 VanDerWaalsContact O-N 3.09Å; C19-E21 PolarHBondContact O-N 3.09Å; C19-E21 VanDerWaalsContact O-N 3.09Å
20P53.1Low46.7Very low112 Ų112144.1 Ų144.173%0.72778%0.781SS**  trans-59.6118.9-167.823.8-34.4000111D18 L22D18-P20 VanDerWaalsContact O-CD 3.27Å; D18-P20 WeakPolarHBondContact O-CD 3.27Å; P20-L22 PolarHBondContact O-N 2.93Å
21E55.1Low47.1Very low183 Ų183144.7 Ų144.786%0.85578%0.784SS**  trans-58.7132.7-179.8-171.2172.9-157.200110.1C19 V23C19-E21 PolarHBondContact O-N 3.09Å; C19-E21 VanDerWaalsContact O-N 3.09Å; E21-V23 PolarHBondContact O-N 3.38Å
22L50.8Low47.5Very low164 Ų164145.7 Ų145.786%0.85979%0.789SS**  trans-68.4100.8-173.9-67.7176.8000110.5P20P20-L22 PolarHBondContact O-N 2.93Å
23V53.8Low47.7Very low123 Ų123145.6 Ų145.675%0.74579%0.788SS**  trans-53.9129171.7-69.60000110.1E21 I25E21-V23 PolarHBondContact O-N 3.38Å; V23-I25 PolarHBondContact O-N 3.1Å; V23-I25 VanDerWaalsContact O-N 3.1Å
24P46.3Very low48Very low120 Ų120146.3 Ų146.378%0.77979%0.786SS**  trans-67.1114.5175.827.1-32.7000108.4E26P24-E26 PolarHBondContact O-N 3.07Å
25I52.4Low48.1Very low150 Ų150149.9 Ų149.977%0.76979%0.79SS**  trans-67108.8174.9-28.4175.7000107.4V23V23-I25 PolarHBondContact O-N 3.1Å; V23-I25 VanDerWaalsContact O-N 3.1Å
26E48.4Very low48.4Very low172 Ų172150.3 Ų150.380%0.80479%0.788SS**  trans-59.2140.1166.5-66.7-166.7141.400108.9P24 T28P24-E26 PolarHBondContact O-N 3.07Å; E26-T28 VanDerWaalsContact C-N 3.28Å; E26-T28 PolarHBondContact O-N 2.87Å
27T46.6Very low48Very low122 Ų122143.3 Ų143.375%0.74876%0.764SS**  trans-74.466.1-158.8-44.70000114.5Q29T27-Q29 HydrophobicContact CG2-CG 3.93Å; T27-Q29 PolarHBondContact O-N 3.18Å
28T41Very low48.1Very low109 Ų109143.6 Ų143.667%0.66977%0.77SS**  trans-78.690.6163.450.10000109.6E26 S30E26-T28 VanDerWaalsContact C-N 3.28Å; E26-T28 PolarHBondContact O-N 2.87Å; T28-S30 PolarHBondContact O-N 2.74Å
29Q49.9Very low48.5Very low177 Ų177140.5 Ų140.583%0.82777%0.771SS**  trans-70.379.6173.4-77.2170.3-46.200111.3T27T27-Q29 HydrophobicContact CG2-CG 3.93Å; T27-Q29 PolarHBondContact O-N 3.18Å
30S49.8Very low49.6Very low89 Ų89138.3 Ų138.362%0.62276%0.76SS**  trans-157.5122.8169.151.10000105.5T28T28-S30 PolarHBondContact O-N 2.74Å
31E48.5Very low51Low188 Ų188137.9 Ų137.988%0.87975%0.747SS**SBendcis-140.7115.935.6-63.8159.4159.200111.7
32E45Very low52.7Low197 Ų197130 Ų13092%0.92171%0.711SS**SBendtrans-166-27.6155.8-118.6172.6-15400113E34E32-E34 VanDerWaalsContact C-N 3.28Å; E32-E34 PolarHBondContact O-N 3.08Å; E32-E34 VanDerWaalsContact O-N 3.08Å
33E42.6Very low54.6Low173 Ų173124.3 Ų124.381%0.80868%0.683SS**  trans-81.434.8-179.4-63.2-157.7126.900116
34E44.6Very low56.3Low172 Ų172118.5 Ų118.580%0.80465%0.648SS**  trans-113.661.9176.7-102.5-64.3173.700113.3E32E32-E34 VanDerWaalsContact C-N 3.28Å; E32-E34 PolarHBondContact O-N 3.08Å; E32-E34 VanDerWaalsContact O-N 3.08Å
35K46Very low58.4Low194 Ų194113.2 Ų113.284%0.84361%0.614SS**SBendtrans-153.8-2.9160.6-136.2167.9-169.7161.90116.9G37K35-G37 PolarHBondContact O-N 3.04Å
36S48.6Very low60Low100 Ų100106 Ų10670%0.69958%0.577SS**SBendtrans-75.329.1167.547.20000112.5L38S36-L38 PolarHBondContact O-N 2.95Å
37G45.4Very low61.9Low33 Ų3398.5 Ų98.534%0.3454%0.542SS..  trans-56.7128.7-166.900000113.1K35 G39 A40K35-G37 PolarHBondContact O-N 3.04Å; G37-G39 PolarHBondContact O-N 3.35Å; G37-A40 WeakPolarHBondContact O-CB 3.21Å; G37-A40 PolarHBondContact O-N 2.85Å
38L47.7Very low63.7Low190 Ų19094.7 Ų94.7100%0.99552%0.519SS*.THydrogen-bonded Turntrans-62.8-9.1-177.1-121.966.1000114.4S36S36-L38 PolarHBondContact O-N 2.95Å
39G54.8Low65.6Low73 Ų7390.4 Ų90.475%0.75350%0.496SS*.THydrogen-bonded Turntrans-111.512.2171.100000115.3G37 K41G37-G39 PolarHBondContact O-N 3.35Å; G39-K41 PolarHBondContact O-N 3.11Å; G39-K41 VanDerWaalsContact O-N 3.11Å
40A70.8Confident67.1Low63 Ų6390.5 Ų90.552%0.52149%0.49SS..  trans-67.5108.6-177.900000111.8G37 I42G37-A40 WeakPolarHBondContact O-CB 3.21Å; G37-A40 PolarHBondContact O-N 2.85Å; A40-I42 PolarHBondContact O-N 3.21Å
41K83.3Confident68.5Low103 Ų10394.8 Ų94.845%0.44851%0.505SS..PPolyproline II helixtrans-59.9129.8174.2-65-169.5122.6-154.10110.6G39 D150 G154 L155 K156G39-K41 PolarHBondContact O-N 3.11Å; G39-K41 VanDerWaalsContact O-N 3.11Å; K41-D150 IonicContact NZ-OD1 3.51Å; K41-D150 PolarHBondContact NZ-OD1 2.92Å; K41-D150 IonicContact NZ-OD2 3.67Å; K41-G154 VanDerWaalsContact CA-O 3.29Å; K41-G154 WeakPolarHBondContact CA-O 3.22Å; K41-G154 WeakPolarHBondContact CB-O 3.25Å; K41-G154 VanDerWaalsContact CE-C 3.44Å; K41-G154 VanDerWaalsContact CG-O 3.25Å; K41-G154 WeakPolarHBondContact CG-O 3.16Å; K41-L155 WeakPolarHBondContact CD-O 3.33Å; K41-L155 VanDerWaalsContact CE-O 3.27Å; K41-L155 WeakPolarHBondContact CE-O 3.47Å; K41-L155 PolarHBondContact NZ-O 2.99Å; K41-K156 HydrophobicContact CB-CB 4.23Å
42I89.5Confident70.1Confident18 Ų1889.5 Ų89.59%0.09250%0.501CS..EExtended strand (participates in β ladder)trans-68.6126.5176-54.6178000108.7A40 M124 K127 F130 I133 L155 K156A40-I42 PolarHBondContact O-N 3.21Å; I42-M124 HydrophobicContact CD1-CE 4.14Å; I42-M124 HydrophobicContact CD1-SD 4.15Å; I42-K127 HydrophobicContact CD1-CD 4.29Å; I42-K127 HydrophobicContact CD1-CG 4.14Å; I42-F130 HydrophobicContact CD1-CE2 3.81Å; I42-F130 HydrophobicContact CD1-CZ 4.12Å; I42-F130 HydrophobicContact CG2-CD2 4.45Å; I42-F130 HydrophobicContact CG2-CE2 4.11Å; I42-I133 HydrophobicContact CG2-CD1 4.36Å; I42-I133 HydrophobicContact CG2-CG1 4.07Å; I42-L155 HydrophobicContact CB-CD2 3.93Å; I42-L155 CarbonylContact O-C 3.57Å; I42-L155 WeakPolarHBondContact O-CA 3.27Å; I42-K156 PolarHBondContact O-N 2.82Å
43P91.8Very high72Confident44 Ų4483.2 Ų83.229%0.28648%0.483SS..EExtended strand (participates in β ladder)trans-68.6136.2175.928.2-34.3000111.4D131 Y132 I133P43-D131 WeakPolarHBondContact CD-O 3.49Å; P43-Y132 HydrophobicContact CB-CD2 3.93Å; P43-Y132 HydrophobicContact CB-CE2 3.9Å; P43-Y132 HydrophobicContact CG-CD2 3.39Å; P43-Y132 HydrophobicContact CG-CE2 3.88Å; P43-Y132 HydrophobicContact CG-CG 4.04Å; P43-I133 PolarHBondContact O-N 3.4Å
44V89.6Confident74.1Confident1 Ų176.8 Ų76.81%0.00646%0.463CS..EExtended strand (participates in β ladder)trans-117.7132.2170.5178.60000107.5I46 I133 L155 K156 V157 K158V44-I46 HydrophobicContact CG1-CG1 4.48Å; V44-I133 CarbonylContact C-O 3.58Å; V44-I133 WeakPolarHBondContact CA-O 3.32Å; V44-I133 HydrophobicContact CB-CB 4.46Å; V44-I133 HydrophobicContact CG1-CG2 4.41Å; V44-I133 HydrophobicContact CG2-CB 3.99Å; V44-I133 HydrophobicContact CG2-CD1 4.09Å; V44-I133 HydrophobicContact CG2-CG1 4.45Å; V44-I133 HydrophobicContact CG2-CG2 4.46Å; V44-L155 HydrophobicContact CG2-CB 3.78Å; V44-L155 HydrophobicContact CG2-CD1 3.56Å; V44-L155 HydrophobicContact CG2-CD2 4.48Å; V44-L155 HydrophobicContact CG2-CG 4.13Å; V44-K156 PolarHBondContact N-O 2.84Å; V44-K156 VanDerWaalsContact O-O 3.1Å; V44-V157 HydrophobicContact CB-CG2 4.28Å; V44-V157 CarbonylContact O-C 3.44Å; V44-V157 WeakPolarHBondContact O-CA 3.3Å; V44-K158 PolarHBondContact O-N 3.29Å
45T89.8Confident76.2Confident9 Ų969.6 Ų69.66%0.05543%0.429CS..EExtended strand (participates in β ladder)trans-120.1137.8163-72.40000109.8I47 Y132 I133 L134 L135 K158 H160T45-I47 HydrophobicContact CG2-CG1 4.37Å; T45-Y132 WeakPolarHBondContact CB-OH 3.49Å; T45-Y132 PolarHBondContact OG1-OH 3.46Å; T45-I133 PolarHBondContact N-O 2.89Å; T45-L134 HydrophobicContact CG2-CD1 3.86Å; T45-L134 CarbonylContact O-C 3.57Å; T45-L134 WeakPolarHBondContact O-CA 3.47Å; T45-L135 PolarHBondContact O-N 3.48Å; T45-K158 WeakPolarHBondContact CA-O 3.43Å; T45-H160 HydrophobicContact CG2-CB 4.37Å
46I87.3Confident78Confident0 Ų063.6 Ų63.60%041%0.409CS..EExtended strand (participates in β ladder)trans-104.7121.2172-54.1147.1000105.9V44 L135 T137 I146 V157 K158 Y159 H160V44-I46 HydrophobicContact CG1-CG1 4.48Å; I46-L135 CarbonylContact C-O 3.6Å; I46-L135 VanDerWaalsContact CA-O 3.31Å; I46-L135 WeakPolarHBondContact CA-O 3.25Å; I46-L135 HydrophobicContact CG1-CD2 4.48Å; I46-T137 HydrophobicContact CG2-CG2 3.92Å; I46-I146 HydrophobicContact CD1-CD1 3.32Å; I46-I146 HydrophobicContact CD1-CG1 4.49Å; I46-I146 HydrophobicContact CD1-CG2 4.23Å; I46-I146 HydrophobicContact CG1-CD1 3.68Å; I46-V157 HydrophobicContact CD1-CG1 3.62Å; I46-K158 PolarHBondContact N-O 3.18Å; I46-Y159 HydrophobicContact CB-CD1 4.29Å; I46-Y159 HydrophobicContact CD1-CD1 3.6Å; I46-Y159 HydrophobicContact CD1-CD2 4.1Å; I46-Y159 HydrophobicContact CD1-CE1 3.25Å; I46-Y159 HydrophobicContact CD1-CE2 3.77Å; I46-Y159 HydrophobicContact CD1-CG 4.01Å; I46-Y159 HydrophobicContact CG2-CD1 4.48Å; I46-H160 PolarHBondContact O-N 3.4Å
47I87.8Confident79.9Confident14 Ų1464 Ų647%0.07241%0.407CS..EExtended strand (participates in β ladder)trans-95.2123.3167.8-53172.6000106.7T45 K55 L58 L59 L134 L135 T137 H160T45-I47 HydrophobicContact CG2-CG1 4.37Å; I47-K55 HydrophobicContact CG2-CB 4.3Å; I47-K55 HydrophobicContact CG2-CD 3.82Å; I47-K55 HydrophobicContact CG2-CG 3.94Å; I47-L58 HydrophobicContact CD1-CD2 3.74Å; I47-L58 HydrophobicContact CD1-CG 4.24Å; I47-L59 HydrophobicContact CD1-CD2 4.48Å; I47-L134 HydrophobicContact CD1-CD1 3.82Å; I47-L134 HydrophobicContact CD1-CD2 3.94Å; I47-L134 HydrophobicContact CD1-CG 4.1Å; I47-L134 HydrophobicContact CG1-CD1 3.88Å; I47-L134 HydrophobicContact CG1-CG 4.47Å; I47-L135 PolarHBondContact N-O 3.47Å; I47-T137 PolarHBondContact O-N 2.81Å; I47-T137 PolarHBondContact O-OG1 3.11Å; I47-H160 CarbonylContact C-O 3.56Å; I47-H160 WeakPolarHBondContact CA-O 3.09Å
48T84.6Confident82.1Confident42 Ų4266.4 Ų66.426%0.25841%0.412SS..  trans-121.5-177.2174.4-161.60000111.4K55 T137 T138 G139 H160T48-K55 VanDerWaalsContact O-CD 3.29Å; T48-K55 WeakPolarHBondContact O-CD 3.25Å; T48-T137 WeakPolarHBondContact CA-OG1 3.49Å; T48-T137 VanDerWaalsContact CB-OG1 3.27Å; T48-T137 WeakPolarHBondContact CB-OG1 2.95Å; T48-T137 PolarHBondContact OG1-OG1 2.99Å; T48-T138 PolarHBondContact OG1-O 2.42Å; T48-G139 WeakPolarHBondContact OG1-CA 3.05Å; T48-H160 PolarHBondContact N-O 2.65Å
49G81.1Confident84.1Confident18 Ų1857.6 Ų57.619%0.18637%0.366CS..  trans118.5171177.400000114.3K55 G139G49-K55 PolarHBondContact O-NZ 2.88Å; G49-G139 PolarHBondContact O-N 3.46Å
50Y81.2Confident85.7Confident179 Ų17957.2 Ų57.270%0.70235%0.347SS*.  trans-73.5174.6-172.2-60.9-73.9000113.6A53Y50-A53 VanDerWaalsContact O-CB 3.31Å; Y50-A53 WeakPolarHBondContact O-CB 3.44Å; Y50-A53 PolarHBondContact O-N 2.87Å
51L79.6Confident86.7Confident179 Ų17960.1 Ų60.194%0.93735%0.345SS*.THydrogen-bonded Turntrans-60.6141.7168.8-174.662.7000109.7A53L51-A53 VanDerWaalsContact C-N 3.29Å; L51-A53 PolarHBondContact O-N 3Å
52G80.9Confident87.1Confident78 Ų7856.3 Ų56.380%0.80433%0.33SS*.THydrogen-bonded Turntrans82.8-9.8-177.200000115.6G54G52-G54 PolarHBondContact O-N 2.95Å
53A86.1Confident87.2Confident64 Ų6455.9 Ų55.953%0.52933%0.327SS..SBendtrans-72.124.3-179.500000115.3Y50 L51 K55Y50-A53 VanDerWaalsContact O-CB 3.31Å; Y50-A53 WeakPolarHBondContact O-CB 3.44Å; Y50-A53 PolarHBondContact O-N 2.87Å; L51-A53 VanDerWaalsContact C-N 3.29Å; L51-A53 PolarHBondContact O-N 3Å; A53-K55 HydrophobicContact CB-CG 4.49Å; A53-K55 PolarHBondContact O-N 3.3Å
54G86.6Confident87Confident39 Ų3957.1 Ų57.140%0.40233%0.334SS..SBendtrans70.4-517600000117.1G52 T56 T57 L58G52-G54 PolarHBondContact O-N 2.95Å; G54-T56 VanDerWaalsContact C-N 3.3Å; G54-T56 PolarHBondContact O-N 2.69Å; G54-T57 WeakPolarHBondContact O-CB 3.45Å; G54-T57 PolarHBondContact O-N 3.48Å; G54-L58 PolarHBondContact O-N 3.13Å
55K87.8Confident87.2Confident20 Ų2061.4 Ų61.49%0.08735%0.354CS..Hα-helixtrans-47-49.7-176.7-50.7-159.3-51.3-86.10113.1I47 T48 G49 A53 T57 L58 L59 E136 T137I47-K55 HydrophobicContact CG2-CB 4.3Å; I47-K55 HydrophobicContact CG2-CD 3.82Å; I47-K55 HydrophobicContact CG2-CG 3.94Å; T48-K55 VanDerWaalsContact O-CD 3.29Å; T48-K55 WeakPolarHBondContact O-CD 3.25Å; G49-K55 PolarHBondContact O-NZ 2.88Å; A53-K55 HydrophobicContact CB-CG 4.49Å; A53-K55 PolarHBondContact O-N 3.3Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-T57 PolarHBondContact O-N 3.27Å; K55-L58 PolarHBondContact O-N 2.75Å; K55-L59 WeakPolarHBondContact O-CG 3.39Å; K55-L59 PolarHBondContact O-N 2.8Å; K55-E136 HydrophobicContact CD-CG 4.48Å; K55-E136 WeakPolarHBondContact CE-OE1 3.38Å; K55-E136 IonicContact NZ-OE1 2.95Å; K55-E136 PolarHBondContact NZ-OE1 2.72Å; K55-T137 VanDerWaalsContact CE-O 3.26Å; K55-T137 WeakPolarHBondContact CE-O 3.44Å
56T84.6Confident87.4Confident68 Ų6869.2 Ų69.242%0.41739%0.39SS..Hα-helixtrans-62.2-33.3-179.1-42.20000112.9G54 N60 L84G54-T56 VanDerWaalsContact C-N 3.3Å; G54-T56 PolarHBondContact O-N 2.69Å; T56-N60 WeakPolarHBondContact O-CB 3.27Å; T56-N60 PolarHBondContact O-N 2.6Å; T56-L84 HydrophobicContact CG2-CB 3.94Å
57T88Confident87.6Confident108 Ų10871 Ų7166%0.66340%0.398SS*.Hα-helixtrans-68.2-43.8176.5-48.50000111.2G54 K55 N60 Y61G54-T57 WeakPolarHBondContact O-CB 3.45Å; G54-T57 PolarHBondContact O-N 3.48Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-T57 PolarHBondContact O-N 3.27Å; T57-N60 PolarHBondContact O-N 2.89Å; T57-Y61 PolarHBondContact O-N 2.91Å; T57-Y61 VanDerWaalsContact O-N 3.1Å
58L90.4Very high87.8Confident84 Ų8476.4 Ų76.444%0.4444%0.437SS..Hα-helixtrans-66.6-42.3175.9176.456000111.6I47 G54 K55 Y61 I62I47-L58 HydrophobicContact CD1-CD2 3.74Å; I47-L58 HydrophobicContact CD1-CG 4.24Å; G54-L58 PolarHBondContact O-N 3.13Å; K55-L58 PolarHBondContact O-N 2.75Å; L58-Y61 PolarHBondContact O-N 2.9Å; L58-I62 HydrophobicContact CD1-CD1 3.95Å; L58-I62 HydrophobicContact CD1-CG1 4.39Å; L58-I62 HydrophobicContact CG-CD1 4.15Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.1Å; L58-I62 VanDerWaalsContact O-N 3.11Å
59L90.2Very high88.1Confident6 Ų680.1 Ų80.13%0.03145%0.45CS..Hα-helixtrans-62.3-43.8174.6-71170.7000112.1I47 K55 Y61 I62 L63 V73 L75 L84 L134 E136I47-L59 HydrophobicContact CD1-CD2 4.48Å; K55-L59 WeakPolarHBondContact O-CG 3.39Å; K55-L59 PolarHBondContact O-N 2.8Å; L59-Y61 PolarHBondContact O-N 3.46Å; L59-I62 PolarHBondContact O-N 3.11Å; L59-L63 WeakPolarHBondContact O-CG 3.34Å; L59-L63 PolarHBondContact O-N 3.19Å; L59-V73 HydrophobicContact CD2-CG1 3.72Å; L59-L75 HydrophobicContact CD1-CD2 3.71Å; L59-L75 HydrophobicContact CD2-CD2 4.16Å; L59-L75 HydrophobicContact CG-CD2 4.47Å; L59-L84 HydrophobicContact CB-CD2 3.41Å; L59-L84 VanDerWaalsContact CB-CD2 3.41Å; L59-L84 HydrophobicContact CD1-CD2 4.18Å; L59-L84 HydrophobicContact CG-CD2 4.43Å; L59-L134 HydrophobicContact CD2-CD2 3.76Å; L59-E136 HydrophobicContact CD1-CB 3.97Å; L59-E136 HydrophobicContact CD1-CG 3.82Å; L59-E136 HydrophobicContact CD2-CB 4.45Å
60N88.4Confident88.7Confident65 Ų6583.7 Ų83.735%0.34846%0.458SS..Hα-helixtrans-57.6-50.5176.1-171.2101.2000110.6T56 T57 I62 L63 T64 L84T56-N60 WeakPolarHBondContact O-CB 3.27Å; T56-N60 PolarHBondContact O-N 2.6Å; T57-N60 PolarHBondContact O-N 2.89Å; N60-I62 VanDerWaalsContact C-N 3.25Å; N60-I62 PolarHBondContact O-N 3.19Å; N60-L63 PolarHBondContact O-N 2.93Å; N60-T64 PolarHBondContact ND2-OG1 3.47Å; N60-T64 PolarHBondContact O-N 3.24Å; N60-T64 PolarHBondContact O-OG1 3.4Å; N60-L84 HydrophobicContact CB-CD1 4.13Å
61Y92Very high89.4Confident123 Ų12375.6 Ų75.648%0.48243%0.426SS..Hα-helixtrans-53.2-42176.8174.2-94.8000112.5T57 L58 L59 E65T57-Y61 PolarHBondContact O-N 2.91Å; T57-Y61 VanDerWaalsContact O-N 3.1Å; L58-Y61 PolarHBondContact O-N 2.9Å; L59-Y61 PolarHBondContact O-N 3.46Å; Y61-E65 HydrophobicContact CD2-CB 4Å; Y61-E65 HydrophobicContact CD2-CG 3.43Å; Y61-E65 VanDerWaalsContact CD2-CG 3.43Å; Y61-E65 HydrophobicContact CE2-CB 3.86Å; Y61-E65 HydrophobicContact CE2-CG 3.67Å; Y61-E65 HydrophobicContact CG-CG 4.2Å; Y61-E65 VanDerWaalsContact O-CB 3.3Å; Y61-E65 WeakPolarHBondContact O-CB 3.38Å; Y61-E65 PolarHBondContact O-N 2.85Å
62I92.9Very high90.1Very high24 Ų2467 Ų6712%0.12338%0.382CS..Hα-helixtrans-70.8-31.4179.6-68.2171.9000112.3L58 L59 N60 H67 V71 V73 N105 C107 L134L58-I62 HydrophobicContact CD1-CD1 3.95Å; L58-I62 HydrophobicContact CD1-CG1 4.39Å; L58-I62 HydrophobicContact CG-CD1 4.15Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.1Å; L58-I62 VanDerWaalsContact O-N 3.11Å; L59-I62 PolarHBondContact O-N 3.11Å; N60-I62 VanDerWaalsContact C-N 3.25Å; N60-I62 PolarHBondContact O-N 3.19Å; I62-H67 WeakPolarHBondContact CA-NE2 3.34Å; I62-H67 WeakPolarHBondContact CG2-NE2 3.41Å; I62-H67 PolarHBondContact O-NE2 3.46Å; I62-V71 HydrophobicContact CG2-CB 3.98Å; I62-V71 HydrophobicContact CG2-CG1 3.95Å; I62-V71 HydrophobicContact CG2-CG2 4.18Å; I62-V73 HydrophobicContact CG2-CG2 3.97Å; I62-N105 PolarHBondContact O-ND2 2.85Å; I62-C107 PolarHBondContact O-SG 3.18Å; I62-C107 VanDerWaalsContact O-SG 3.4Å; I62-L134 HydrophobicContact CD1-CD2 3.56Å; I62-L134 HydrophobicContact CG2-CD2 4.45Å
63L90.7Very high90.7Very high9 Ų963.3 Ų63.35%0.04734%0.343CS..Hα-helixtrans-90.3-20.1-179.2-62.5-174.6000114.3L59 N60 V73 L84 L88 L103 C107 C109L59-L63 WeakPolarHBondContact O-CG 3.34Å; L59-L63 PolarHBondContact O-N 3.19Å; N60-L63 PolarHBondContact O-N 2.93Å; L63-V73 HydrophobicContact CD2-CB 3.89Å; L63-V73 HydrophobicContact CD2-CG1 4.45Å; L63-V73 HydrophobicContact CD2-CG2 3.51Å; L63-V73 HydrophobicContact CG-CG2 4.4Å; L63-L84 HydrophobicContact CD1-CD1 4.39Å; L63-L84 HydrophobicContact CD1-CD2 4.02Å; L63-L84 HydrophobicContact CD1-CG 4.34Å; L63-L88 HydrophobicContact CD1-CD1 3.7Å; L63-L88 HydrophobicContact CD1-CD2 4.37Å; L63-L103 HydrophobicContact CB-CD1 3.79Å; L63-L103 HydrophobicContact CD2-CD1 3.69Å; L63-L103 HydrophobicContact CG-CD1 4.2Å; L63-L103 WeakPolarHBondContact O-CD1 3.29Å; L63-C107 HydrophobicContact CD2-CB 4.31Å; L63-C109 HydrophobicContact CD1-CB 4.29Å; L63-C109 HydrophobicContact CD2-CB 4.09Å
64T88Confident90.8Very high69 Ų6960.3 Ų60.342%0.42332%0.318SS..Hα-helixtrans-104.5-39.5179.562.80000114.1N60N60-T64 PolarHBondContact ND2-OG1 3.47Å; N60-T64 PolarHBondContact O-N 3.24Å; N60-T64 PolarHBondContact O-OG1 3.4Å
65E93Very high90.7Very high92 Ų9258.7 Ų58.743%0.4330%0.3SS..SBendtrans-88.4159.2-168.8-54-46.511800113.7Y61 H67 N105Y61-E65 HydrophobicContact CD2-CB 4Å; Y61-E65 HydrophobicContact CD2-CG 3.43Å; Y61-E65 VanDerWaalsContact CD2-CG 3.43Å; Y61-E65 HydrophobicContact CE2-CB 3.86Å; Y61-E65 HydrophobicContact CE2-CG 3.67Å; Y61-E65 HydrophobicContact CG-CG 4.2Å; Y61-E65 VanDerWaalsContact O-CB 3.3Å; Y61-E65 WeakPolarHBondContact O-CB 3.38Å; Y61-E65 PolarHBondContact O-N 2.85Å; E65-H67 PolarHBondContact O-CD2 3.29Å; E65-H67 PolarHBondContact O-N 3.03Å; E65-N105 PolarHBondContact O-ND2 2.82Å
66Q93.4Very high90.3Very high172 Ų17259.2 Ų59.280%0.80430%0.304SS*.  trans-87.1105.3172.5-66.6-169.52.800110.7
67H93.1Very high89.5Confident39 Ų3958 Ų5818%0.18129%0.294CS..  trans-119.318.1176.855.261.1000113.2I62 E65 K69 V71 N105 C107I62-H67 WeakPolarHBondContact CA-NE2 3.34Å; I62-H67 WeakPolarHBondContact CG2-NE2 3.41Å; I62-H67 PolarHBondContact O-NE2 3.46Å; E65-H67 PolarHBondContact O-CD2 3.29Å; E65-H67 PolarHBondContact O-N 3.03Å; H67-K69 VanDerWaalsContact C-N 3.28Å; H67-K69 VanDerWaalsContact CE1-C 3.44Å; H67-K69 PolarHBondContact CE1-O 2.87Å; H67-K69 PolarHBondContact O-N 3.03Å; H67-V71 WeakPolarHBondContact CE1-CG2 3.42Å; H67-N105 PolarHBondContact NE2-ND2 2.82Å; H67-N105 VanDerWaalsContact NE2-ND2 3.14Å; H67-C107 PolarHBondContact CE1-SG 3.05Å; H67-C107 PolarHBondContact NE2-SG 3.21Å
68S91Very high87.8Confident126 Ų12660.2 Ų60.288%0.88130%0.295SS*.SBendtrans53.135.5173.5-55.10000115.4
69K91.6Very high85.9Confident121 Ų12159.1 Ų59.153%0.52630%0.303SS..SBendtrans-142.2143.3174.9-65171.8-173.9164.30110.3H67 V71H67-K69 VanDerWaalsContact C-N 3.28Å; H67-K69 VanDerWaalsContact CE1-C 3.44Å; H67-K69 PolarHBondContact CE1-O 2.87Å; H67-K69 PolarHBondContact O-N 3.03Å; K69-V71 HydrophobicContact CB-CG2 4.2Å; K69-V71 PolarHBondContact O-N 3.16Å
70R94.2Very high83.8Confident93 Ų9367.5 Ų67.535%0.35134%0.342SS..  trans-91.390.9174.7-56.4170.4-62.6157.44.6108.6G106 G128 K129 F130 D131R70-G106 WeakPolarHBondContact CA-O 3.34Å; R70-G106 VanDerWaalsContact CB-O 3.25Å; R70-G106 WeakPolarHBondContact CB-O 3.44Å; R70-G106 WeakPolarHBondContact CG-O 3.08Å; R70-G128 PolarHBondContact NH1-O 3.14Å; R70-G128 PolarHBondContact NH2-O 1.89Å; R70-G128 VanDerWaalsContact NH2-O 3.13Å; R70-K129 WeakPolarHBondContact CD-O 3.36Å; R70-K129 PolarHBondContact NH1-O 2.96Å; R70-F130 CarbonylContact O-C 3.58Å; R70-F130 WeakPolarHBondContact O-CA 3.46Å; R70-F130 WeakPolarHBondContact O-CB 3.1Å; R70-D131 VanDerWaalsContact CB-OD2 3.25Å; R70-D131 WeakPolarHBondContact CB-OD2 3.36Å; R70-D131 WeakPolarHBondContact CG-OD2 3.43Å; R70-D131 IonicContact CZ-OD1 2.87Å; R70-D131 IonicContact CZ-OD2 3.62Å; R70-D131 PolarHBondContact N-OD2 3.4Å; R70-D131 IonicContact NE-OD1 2.62Å; R70-D131 PolarHBondContact NE-OD1 3.06Å; R70-D131 IonicContact NE-OD2 3.47Å; R70-D131 PolarHBondContact NE-OD2 3.41Å; R70-D131 IonicContact NH2-OD1 3.33Å; R70-D131 PolarHBondContact NH2-OD1 3.16Å; R70-D131 IonicContact NH2-OD2 2.6Å; R70-D131 PolarHBondContact O-N 3.06Å
71V95.5Very high82.2Confident8 Ų865.6 Ų65.65%0.04834%0.338CS..EExtended strand (participates in β ladder)trans-88.1129.3-178.9-175.70000109.4I62 H67 K69 V73 C107 L108 Y132 L134I62-V71 HydrophobicContact CG2-CB 3.98Å; I62-V71 HydrophobicContact CG2-CG1 3.95Å; I62-V71 HydrophobicContact CG2-CG2 4.18Å; H67-V71 WeakPolarHBondContact CE1-CG2 3.42Å; K69-V71 HydrophobicContact CB-CG2 4.2Å; K69-V71 PolarHBondContact O-N 3.16Å; V71-V73 HydrophobicContact CB-CG2 4.48Å; V71-V73 HydrophobicContact CG1-CG2 3.78Å; V71-C107 CarbonylContact O-C 3.54Å; V71-C107 VanDerWaalsContact O-CA 3.23Å; V71-C107 WeakPolarHBondContact O-CA 3.38Å; V71-C107 WeakPolarHBondContact O-CB 3.23Å; V71-L108 PolarHBondContact O-N 2.84Å; V71-Y132 HydrophobicContact CG1-CD1 4.07Å; V71-L134 HydrophobicContact CG1-CB 3.93Å
72A94.1Very high80.7Confident0 Ų061.4 Ų61.40%033%0.326CS..EExtended strand (participates in β ladder)trans-94.2111.7168.700000109.6W100 L108 L123 F130 Y132 I133 L134A72-W100 HydrophobicContact CB-CH2 4.44Å; A72-W100 HydrophobicContact CB-CZ3 4.1Å; A72-L108 CarbonylContact C-O 3.54Å; A72-L108 WeakPolarHBondContact CA-O 3.24Å; A72-L108 HydrophobicContact CB-CB 4.26Å; A72-L123 HydrophobicContact CB-CD1 3.7Å; A72-L123 HydrophobicContact CB-CD2 3.51Å; A72-L123 HydrophobicContact CB-CG 4.21Å; A72-F130 HydrophobicContact CB-CB 3.86Å; A72-F130 HydrophobicContact CB-CD1 4.46Å; A72-F130 HydrophobicContact CB-CD2 3.98Å; A72-F130 HydrophobicContact CB-CG 3.83Å; A72-Y132 PolarHBondContact N-O 3.12Å; A72-I133 WeakPolarHBondContact O-CA 3.38Å; A72-L134 PolarHBondContact O-N 3.05Å
73V92.1Very high79.2Confident0 Ų064 Ų640%035%0.352CS..EExtended strand (participates in β ladder)trans-103.2128.2-176.1-1770000110.5L59 I62 L63 V71 L75 L108 C109 C110 L134L59-V73 HydrophobicContact CD2-CG1 3.72Å; I62-V73 HydrophobicContact CG2-CG2 3.97Å; L63-V73 HydrophobicContact CD2-CB 3.89Å; L63-V73 HydrophobicContact CD2-CG1 4.45Å; L63-V73 HydrophobicContact CD2-CG2 3.51Å; L63-V73 HydrophobicContact CG-CG2 4.4Å; V71-V73 HydrophobicContact CB-CG2 4.48Å; V71-V73 HydrophobicContact CG1-CG2 3.78Å; V73-L75 HydrophobicContact CG1-CD2 3.78Å; V73-L75 HydrophobicContact CG1-CG 4.3Å; V73-L108 PolarHBondContact N-O 3.49Å; V73-C109 HydrophobicContact CB-CB 4.39Å; V73-C109 VanDerWaalsContact O-CA 3.29Å; V73-C109 WeakPolarHBondContact O-CA 3.21Å; V73-C110 PolarHBondContact O-N 2.85Å; V73-L134 CarbonylContact C-O 3.56Å; V73-L134 WeakPolarHBondContact CA-O 3.47Å; V73-L134 HydrophobicContact CG2-CB 4.22Å; V73-L134 HydrophobicContact CG2-CD2 4.24Å
74I89Confident78.2Confident0 Ų063.8 Ų63.80%035%0.351CS..EExtended strand (participates in β ladder)trans-108.6117.7174.3-57.6160.7000107.3W100 V112 A119 I120 I133 L134 L135 E136I74-W100 HydrophobicContact CD1-CH2 4.41Å; I74-W100 HydrophobicContact CG1-CH2 3.65Å; I74-W100 HydrophobicContact CG1-CZ2 4.25Å; I74-V112 HydrophobicContact CG2-CG2 3.68Å; I74-A119 HydrophobicContact CD1-CB 3.83Å; I74-A119 HydrophobicContact CG1-CB 4.05Å; I74-A119 HydrophobicContact CG2-CB 3.69Å; I74-I120 HydrophobicContact CD1-CD1 4.49Å; I74-I120 HydrophobicContact CD1-CG1 3.54Å; I74-I133 HydrophobicContact CD1-CG2 4.16Å; I74-L134 PolarHBondContact N-O 2.89Å; I74-L135 HydrophobicContact CB-CD1 3.66Å; I74-L135 HydrophobicContact CD1-CD1 4.35Å; I74-L135 HydrophobicContact CG2-CD1 3.5Å; I74-E136 PolarHBondContact O-N 2.72Å
75L85.6Confident77.1Confident5 Ų561.4 Ų61.43%0.02634%0.335CS..EExtended strand (participates in β ladder)trans-97.9140.4176-56.2177.1000109.8L59 V73 L84 E85 L88 C110 V112L59-L75 HydrophobicContact CD1-CD2 3.71Å; L59-L75 HydrophobicContact CD2-CD2 4.16Å; L59-L75 HydrophobicContact CG-CD2 4.47Å; V73-L75 HydrophobicContact CG1-CD2 3.78Å; V73-L75 HydrophobicContact CG1-CG 4.3Å; L75-L84 HydrophobicContact CD1-CD2 4.46Å; L75-L84 HydrophobicContact CD2-CD2 4.34Å; L75-E85 HydrophobicContact CD1-CG 4.08Å; L75-L88 HydrophobicContact CD1-CD1 4.19Å; L75-C110 PolarHBondContact N-O 3.1Å; L75-V112 WeakPolarHBondContact O-CG2 3.5Å; L75-V112 PolarHBondContact O-N 3.39Å
76N77.6Confident75.8Confident31 Ų3162.3 Ų62.317%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-113113.3-169.5162.689.1000111.5F78 E136N76-F78 VanDerWaalsContact C-N 3.26Å; N76-F78 WeakPolarHBondContact ND2-CD2 3.47Å; N76-F78 PolarHBondContact O-N 3.09Å; N76-F78 WeakPolarHBondContact OD1-CD2 3.23Å; N76-E136 WeakPolarHBondContact CB-O 3.49Å; N76-E136 PolarHBondContact N-OE2 3.17Å
77E68.5Low74.3Confident42 Ų4256.9 Ų56.920%0.19632%0.318CS..  trans-77.853.2-167-69.3178.256.400115G79 S111 V112 K113E77-G79 PolarHBondContact O-N 2.87Å; E77-S111 WeakPolarHBondContact CG-OG 3.45Å; E77-S111 WeakPolarHBondContact OE2-CB 3.29Å; E77-S111 PolarHBondContact OE2-OG 3.38Å; E77-V112 PolarHBondContact N-O 2.89Å; E77-V112 PolarHBondContact OE2-N 3.41Å; E77-K113 HydrophobicContact CB-CG 4.16Å; E77-K113 HydrophobicContact CG-CG 4.33Å; E77-K113 WeakPolarHBondContact OE1-CE 3.46Å; E77-K113 WeakPolarHBondContact OE1-CG 3.37Å; E77-K113 WeakPolarHBondContact OE2-CG 3.4Å; E77-K113 PolarHBondContact OE2-N 3.47Å
78F51.5Low72.9Confident156 Ų15656 Ų5668%0.68432%0.315SS*.  trans-92.365.3172.9-87.3-101.8000112.2N76 T138N76-F78 VanDerWaalsContact C-N 3.26Å; N76-F78 WeakPolarHBondContact ND2-CD2 3.47Å; N76-F78 PolarHBondContact O-N 3.09Å; N76-F78 WeakPolarHBondContact OD1-CD2 3.23Å; F78-T138 HydrophobicContact CB-CG2 3.75Å
79G51Low71.4Confident60 Ų6050.7 Ų50.762%0.61928%0.278SS*.SBendtrans158.6-178172.700000113.5E77 G81E77-G79 PolarHBondContact O-N 2.87Å; G79-G81 PolarHBondContact O-N 2.94Å
80E47.5Very low69.6Low183 Ų18350.9 Ų50.986%0.85529%0.289SS*.SBendtrans-58.2119.8164.3-75.8-176.576.700109.2S82E80-S82 PolarHBondContact O-N 2.87Å
81G54.8Low67.7Low24 Ų2450.5 Ų50.525%0.24730%0.301CS..  trans-42.5132.4-164.300000114.4G79 E85 K86G79-G81 PolarHBondContact O-N 2.94Å; G81-E85 VanDerWaalsContact C-OE2 3.27Å; G81-E85 WeakPolarHBondContact CA-OE2 3.32Å; G81-K86 VanDerWaalsContact O-CD 3.28Å; G81-K86 WeakPolarHBondContact O-CD 3.31Å; G81-K86 WeakPolarHBondContact O-CE 3.45Å; G81-K86 PolarHBondContact O-NZ 2.77Å
82S59.1Low65.8Low35 Ų3554 Ų5425%0.24532%0.317CS..  trans-60.7158.5-162.772.80000112.5E80 L84 E85 K86E80-S82 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact OG-N 3.03Å; S82-E85 WeakPolarHBondContact CB-OE1 3.35Å; S82-E85 PolarHBondContact N-OE1 3.38Å; S82-E85 PolarHBondContact N-OE2 2.88Å; S82-E85 PolarHBondContact O-N 3.48Å; S82-E85 VanDerWaalsContact O-N 3.12Å; S82-E85 VanDerWaalsContact OG-CD 3.31Å; S82-E85 PolarHBondContact OG-N 2.85Å; S82-E85 PolarHBondContact OG-OE1 3.15Å; S82-K86 PolarHBondContact O-N 3.26Å
83A62.9Low64Low79 Ų7957.2 Ų57.265%0.65335%0.35SS*.Hα-helixtrans-56-25.3174.500000112.5S87A83-S87 WeakPolarHBondContact O-CB 3.39Å; A83-S87 PolarHBondContact O-N 2.89Å
84L69.6Low62.1Low5 Ų559.7 Ų59.73%0.02638%0.375CS..Hα-helixtrans-76.3-47.6175.4-176.460.4000112.1T56 L59 N60 L63 L75 S82 K86 S87 L88T56-L84 HydrophobicContact CG2-CB 3.94Å; L59-L84 HydrophobicContact CB-CD2 3.41Å; L59-L84 VanDerWaalsContact CB-CD2 3.41Å; L59-L84 HydrophobicContact CD1-CD2 4.18Å; L59-L84 HydrophobicContact CG-CD2 4.43Å; N60-L84 HydrophobicContact CB-CD1 4.13Å; L63-L84 HydrophobicContact CD1-CD1 4.39Å; L63-L84 HydrophobicContact CD1-CD2 4.02Å; L63-L84 HydrophobicContact CD1-CG 4.34Å; L75-L84 HydrophobicContact CD1-CD2 4.46Å; L75-L84 HydrophobicContact CD2-CD2 4.34Å; S82-L84 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact OG-N 3.03Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.14Å; L84-S87 WeakPolarHBondContact O-CB 3.35Å; L84-S87 PolarHBondContact O-N 3.04Å; L84-S87 VanDerWaalsContact O-N 3.16Å; L84-L88 HydrophobicContact CD1-CD1 4.28Å; L84-L88 HydrophobicContact CD1-CG 4.38Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.01Å
85E64.9Low60.3Low19 Ų1966.1 Ų66.19%0.08941%0.405CS..Hα-helixtrans-55.4-46.4171.5-71.4141.6-114.900111.1L75 G81 S82 S87 L88 A89L75-E85 HydrophobicContact CD1-CG 4.08Å; G81-E85 VanDerWaalsContact C-OE2 3.27Å; G81-E85 WeakPolarHBondContact CA-OE2 3.32Å; S82-E85 WeakPolarHBondContact CB-OE1 3.35Å; S82-E85 PolarHBondContact N-OE1 3.38Å; S82-E85 PolarHBondContact N-OE2 2.88Å; S82-E85 PolarHBondContact O-N 3.48Å; S82-E85 VanDerWaalsContact O-N 3.12Å; S82-E85 VanDerWaalsContact OG-CD 3.31Å; S82-E85 PolarHBondContact OG-N 2.85Å; S82-E85 PolarHBondContact OG-OE1 3.15Å; E85-S87 VanDerWaalsContact C-N 3.32Å; E85-S87 PolarHBondContact O-N 2.94Å; E85-L88 PolarHBondContact O-N 3.42Å; E85-A89 VanDerWaalsContact O-CB 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.32Å; E85-A89 PolarHBondContact O-N 2.83Å
86K64.4Low58.6Low110 Ų11070 Ų7048%0.47843%0.425SS..Hα-helixtrans-60.6-40.8177.4-74165.3175.3148.50111.7G81 S82 L84 V90G81-K86 VanDerWaalsContact O-CD 3.28Å; G81-K86 WeakPolarHBondContact O-CD 3.31Å; G81-K86 WeakPolarHBondContact O-CE 3.45Å; G81-K86 PolarHBondContact O-NZ 2.77Å; S82-K86 PolarHBondContact O-N 3.26Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.14Å; K86-V90 VanDerWaalsContact O-CB 3.28Å; K86-V90 WeakPolarHBondContact O-CB 3.43Å; K86-V90 WeakPolarHBondContact O-CG2 3.3Å; K86-V90 PolarHBondContact O-N 3.34Å
87S62.7Low57.4Low58 Ų5871.8 Ų71.841%0.40643%0.43SS..Hα-helixtrans-64.8-43.1174.9-1700000112.6A83 L84 E85 S91A83-S87 WeakPolarHBondContact O-CB 3.39Å; A83-S87 PolarHBondContact O-N 2.89Å; L84-S87 WeakPolarHBondContact O-CB 3.35Å; L84-S87 PolarHBondContact O-N 3.04Å; L84-S87 VanDerWaalsContact O-N 3.16Å; E85-S87 VanDerWaalsContact C-N 3.32Å; E85-S87 PolarHBondContact O-N 2.94Å; S87-S91 WeakPolarHBondContact O-CB 3.24Å; S87-S91 PolarHBondContact O-N 3.24Å; S87-S91 PolarHBondContact O-OG 2.83Å
88L63.8Low56.9Low22 Ų2277.1 Ų77.112%0.11546%0.456CS..Hα-helixtrans-68.9-45.2179-67.4164.4000112L63 L75 L84 E85 S91 Q92 L103L63-L88 HydrophobicContact CD1-CD1 3.7Å; L63-L88 HydrophobicContact CD1-CD2 4.37Å; L75-L88 HydrophobicContact CD1-CD1 4.19Å; L84-L88 HydrophobicContact CD1-CD1 4.28Å; L84-L88 HydrophobicContact CD1-CG 4.38Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.01Å; E85-L88 PolarHBondContact O-N 3.42Å; L88-S91 CarbonylContact O-C 3.52Å; L88-S91 WeakPolarHBondContact O-CA 3.38Å; L88-S91 WeakPolarHBondContact O-CB 3.47Å; L88-S91 PolarHBondContact O-N 3.18Å; L88-S91 VanDerWaalsContact O-N 3.11Å; L88-Q92 PolarHBondContact O-N 3.23Å; L88-Q92 VanDerWaalsContact O-N 3.17Å; L88-L103 HydrophobicContact CD2-CD1 4.27Å; L88-L103 HydrophobicContact CD2-CD2 4.34Å
89A58.6Low57.8Low14 Ų1476.7 Ų76.712%0.11646%0.456CS..Hα-helixtrans-62.3-47.2176.400000111.1E85 S91 Q92 G93 G94E85-A89 VanDerWaalsContact O-CB 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.32Å; E85-A89 PolarHBondContact O-N 2.83Å; A89-S91 PolarHBondContact O-N 2.88Å; A89-Q92 PolarHBondContact O-N 2.85Å; A89-G93 PolarHBondContact O-N 2.91Å; A89-G94 PolarHBondContact O-N 2.81Å
90V53.8Low59.3Low124 Ų12475.4 Ų75.475%0.75243%0.432SS*.Hα-helixtrans-59.9-31.7173.2168.70000111.8K86 Q92K86-V90 VanDerWaalsContact O-CB 3.28Å; K86-V90 WeakPolarHBondContact O-CB 3.43Å; K86-V90 WeakPolarHBondContact O-CG2 3.3Å; K86-V90 PolarHBondContact O-N 3.34Å; V90-Q92 VanDerWaalsContact C-N 3.32Å; V90-Q92 PolarHBondContact O-N 2.89Å
91S54.8Low61Low86 Ų8667.8 Ų67.860%0.60140%0.397SS*.Hα-helixtrans-74.9-12.9176-610000114.7S87 L88 A89S87-S91 WeakPolarHBondContact O-CB 3.24Å; S87-S91 PolarHBondContact O-N 3.24Å; S87-S91 PolarHBondContact O-OG 2.83Å; L88-S91 CarbonylContact O-C 3.52Å; L88-S91 WeakPolarHBondContact O-CA 3.38Å; L88-S91 WeakPolarHBondContact O-CB 3.47Å; L88-S91 PolarHBondContact O-N 3.18Å; L88-S91 VanDerWaalsContact O-N 3.11Å; A89-S91 PolarHBondContact O-N 2.88Å
92Q56.3Low62.7Low82 Ų8272.3 Ų72.338%0.38341%0.412SS..Hα-helixtrans-128.7-10.8-176.2-61.4-15514.300116.1L88 A89 V90 Y97L88-Q92 PolarHBondContact O-N 3.23Å; L88-Q92 VanDerWaalsContact O-N 3.17Å; A89-Q92 PolarHBondContact O-N 2.85Å; V90-Q92 VanDerWaalsContact C-N 3.32Å; V90-Q92 PolarHBondContact O-N 2.89Å; Q92-Y97 HydrophobicContact CB-CE2 4.47Å; Q92-Y97 PolarHBondContact O-OH 3Å
93G54.6Low64.1Low67 Ų6771.6 Ų71.669%0.69141%0.405SS*.THydrogen-bonded Turntrans141.9-4.717100000116.8A89A89-G93 PolarHBondContact O-N 2.91Å
94G52.6Low65.3Low52 Ų5280 Ų8054%0.53642%0.42SS..SBendtrans97.4-7.6175.700000115.9A89A89-G94 PolarHBondContact O-N 2.81Å
95E50.7Low66.3Low134 Ų13481.2 Ų81.263%0.62643%0.427SS*.  trans-69.9152.2174.4-68.4-62.8138.800112.2Y97E95-Y97 HydrophobicContact CB-CD1 4.46Å; E95-Y97 HydrophobicContact CB-CD2 4.4Å; E95-Y97 HydrophobicContact CB-CE1 3.98Å; E95-Y97 HydrophobicContact CB-CE2 3.93Å; E95-Y97 VanDerWaalsContact O-CD2 3.27Å; E95-Y97 WeakPolarHBondContact O-CD2 3.31Å; E95-Y97 WeakPolarHBondContact O-CE2 3.43Å
96L51.1Low67.6Low86 Ų8681.3 Ų81.345%0.4543%0.433SS..  trans-106.391.4178.4-15085.5000109.7E98L96-E98 PolarHBondContact O-N 3.17Å
97Y51.9Low69Low69 Ų6976.1 Ų76.127%0.27141%0.41SS..  trans-78.1121.8-164.8-54.3-96.3000113.9Q92 E95 L101Q92-Y97 HydrophobicContact CB-CE2 4.47Å; Q92-Y97 PolarHBondContact O-OH 3Å; E95-Y97 HydrophobicContact CB-CD1 4.46Å; E95-Y97 HydrophobicContact CB-CD2 4.4Å; E95-Y97 HydrophobicContact CB-CE1 3.98Å; E95-Y97 HydrophobicContact CB-CE2 3.93Å; E95-Y97 VanDerWaalsContact O-CD2 3.27Å; E95-Y97 WeakPolarHBondContact O-CD2 3.31Å; E95-Y97 WeakPolarHBondContact O-CE2 3.43Å; Y97-L101 HydrophobicContact CD1-CD2 3.75Å; Y97-L101 HydrophobicContact CD2-CD1 3.69Å; Y97-L101 HydrophobicContact CD2-CD2 3.86Å; Y97-L101 HydrophobicContact CD2-CG 4.16Å; Y97-L101 HydrophobicContact CE1-CD2 4.01Å; Y97-L101 HydrophobicContact CE2-CD1 4.03Å; Y97-L101 HydrophobicContact CE2-CD2 4.11Å; Y97-L101 HydrophobicContact CG-CD1 4.23Å; Y97-L101 HydrophobicContact CG-CD2 3.67Å; Y97-L101 HydrophobicContact CG-CG 4.18Å
98E57.3Low70.3Confident155 Ų15573.6 Ų73.672%0.72439%0.393SS*.SBendtrans-80-10.4160.6-60.2-174.516800111.9L96 K113L96-E98 PolarHBondContact O-N 3.17Å; E98-K113 IonicContact OE1-NZ 3.48Å
99E70.8Confident71.5Confident147 Ų14772.8 Ų72.869%0.68739%0.388SS*.SBendtrans-89158.2173.1-173.3157-144.100112.1L101E99-L101 PolarHBondContact O-N 3.34Å
100W82.3Confident72.8Confident32 Ų3272.4 Ų72.412%0.12139%0.385CS..PPolyproline II helixtrans-78.8116.1-179.4-76.583.5000111.9A72 I74 L108 C110 L123 K126A72-W100 HydrophobicContact CB-CH2 4.44Å; A72-W100 HydrophobicContact CB-CZ3 4.1Å; I74-W100 HydrophobicContact CD1-CH2 4.41Å; I74-W100 HydrophobicContact CG1-CH2 3.65Å; I74-W100 HydrophobicContact CG1-CZ2 4.25Å; W100-L108 HydrophobicContact CE3-CB 3.8Å; W100-L108 HydrophobicContact CZ3-CB 4.12Å; W100-C110 HydrophobicContact CD2-CB 3.94Å; W100-C110 HydrophobicContact CE3-CB 3.98Å; W100-C110 HydrophobicContact CG-CB 4.43Å; W100-C110 HydrophobicContact CH2-CB 4.3Å; W100-C110 WeakPolarHBondContact CH2-SG 3.31Å; W100-C110 HydrophobicContact CZ2-CB 4.21Å; W100-C110 WeakPolarHBondContact CZ2-SG 3.27Å; W100-C110 HydrophobicContact CZ3-CB 4.18Å; W100-L123 HydrophobicContact CD2-CD1 4.3Å; W100-L123 HydrophobicContact CE3-CD1 4.24Å; W100-L123 HydrophobicContact CH2-CB 4.11Å; W100-L123 HydrophobicContact CH2-CD1 3.77Å; W100-L123 HydrophobicContact CH2-CD2 3.78Å; W100-L123 HydrophobicContact CH2-CG 4.08Å; W100-L123 HydrophobicContact CZ2-CB 3.61Å; W100-L123 HydrophobicContact CZ2-CD1 3.87Å; W100-L123 HydrophobicContact CZ2-CD2 4.16Å; W100-L123 HydrophobicContact CZ2-CG 4.07Å; W100-L123 HydrophobicContact CZ3-CD1 3.97Å; W100-K126 HydrophobicContact CG-CD 4.42Å
101L84.8Confident74Confident24 Ų2467.1 Ų67.113%0.12635%0.354CS..EExtended strand (participates in β ladder)trans-82.3137.8173.1-57.7-177.4000110.8Y97 E99 L108 C109Y97-L101 HydrophobicContact CD1-CD2 3.75Å; Y97-L101 HydrophobicContact CD2-CD1 3.69Å; Y97-L101 HydrophobicContact CD2-CD2 3.86Å; Y97-L101 HydrophobicContact CD2-CG 4.16Å; Y97-L101 HydrophobicContact CE1-CD2 4.01Å; Y97-L101 HydrophobicContact CE2-CD1 4.03Å; Y97-L101 HydrophobicContact CE2-CD2 4.11Å; Y97-L101 HydrophobicContact CG-CD1 4.23Å; Y97-L101 HydrophobicContact CG-CD2 3.67Å; Y97-L101 HydrophobicContact CG-CG 4.18Å; E99-L101 PolarHBondContact O-N 3.34Å; L101-L108 CarbonylContact O-C 3.57Å; L101-L108 VanDerWaalsContact O-CA 3.23Å; L101-L108 WeakPolarHBondContact O-CA 3.35Å; L101-C109 PolarHBondContact N-O 3.3Å; L101-C109 PolarHBondContact O-N 2.84Å
102E89.3Confident74.9Confident118 Ų11864 Ų6455%0.55133%0.331SS*.EExtended strand (participates in β ladder)trans-99.4128.8169.8-169.2161.3164.500108.8L108 K129E102-L108 HydrophobicContact CB-CD2 3.78Å; E102-L108 HydrophobicContact CG-CD2 3.78Å; E102-K129 IonicContact OE1-NZ 3.75Å; E102-K129 PolarHBondContact OE1-NZ 3.39Å; E102-K129 IonicContact OE2-NZ 3.71Å; E102-K129 PolarHBondContact OE2-NZ 2.92Å
103L88.6Confident75.4Confident21 Ų2165.9 Ų65.911%0.1134%0.338CS..PPolyproline II helixtrans-103161-173.9-59-172.6000112.3L63 L88 N105 G106 C107L63-L103 HydrophobicContact CB-CD1 3.79Å; L63-L103 HydrophobicContact CD2-CD1 3.69Å; L63-L103 HydrophobicContact CG-CD1 4.2Å; L63-L103 WeakPolarHBondContact O-CD1 3.29Å; L88-L103 HydrophobicContact CD2-CD1 4.27Å; L88-L103 HydrophobicContact CD2-CD2 4.34Å; L103-N105 PolarHBondContact O-N 3.41Å; L103-N105 VanDerWaalsContact O-N 3.09Å; L103-G106 PolarHBondContact O-N 3.39Å; L103-C107 WeakPolarHBondContact CB-O 3.22Å; L103-C107 HydrophobicContact CD1-CB 4.49Å; L103-C107 PolarHBondContact N-O 3.32Å
104R88.3Confident75.8Confident254 Ų25466.8 Ų66.896%0.95833%0.327SS*.THydrogen-bonded Turntrans-61.3-21.3-175.8-61.3-176.1-172.8170.24.3114.6
105N90.4Very high76.9Confident31 Ų3167 Ų6717%0.16632%0.32CS..THydrogen-bonded Turntrans-92.16.5175.171.3-12.6000113.4I62 E65 H67 L103 C107I62-N105 PolarHBondContact O-ND2 2.85Å; E65-N105 PolarHBondContact O-ND2 2.82Å; H67-N105 PolarHBondContact NE2-ND2 2.82Å; H67-N105 VanDerWaalsContact NE2-ND2 3.14Å; L103-N105 PolarHBondContact O-N 3.41Å; L103-N105 VanDerWaalsContact O-N 3.09Å; N105-C107 VanDerWaalsContact C-N 3.31Å; N105-C107 PolarHBondContact O-N 2.89Å; N105-C107 VanDerWaalsContact OD1-CB 3.24Å; N105-C107 WeakPolarHBondContact OD1-CB 3.19Å; N105-C107 PolarHBondContact OD1-N 2.95Å; N105-C107 PolarHBondContact OD1-SG 3.46Å
106G91.6Very high78.2Confident22 Ų2261.3 Ų61.323%0.22730%0.298CS..SBendtrans79.45.6-177.300000114.7R70 L103R70-G106 WeakPolarHBondContact CA-O 3.34Å; R70-G106 VanDerWaalsContact CB-O 3.25Å; R70-G106 WeakPolarHBondContact CB-O 3.44Å; R70-G106 WeakPolarHBondContact CG-O 3.08Å; L103-G106 PolarHBondContact O-N 3.39Å
107C93.9Very high79.5Confident0 Ų059 Ų590%029%0.286CS..  trans-75154.3168.8-66.60000111.2I62 L63 H67 V71 L103 N105I62-C107 PolarHBondContact O-SG 3.18Å; I62-C107 VanDerWaalsContact O-SG 3.4Å; L63-C107 HydrophobicContact CD2-CB 4.31Å; H67-C107 PolarHBondContact CE1-SG 3.05Å; H67-C107 PolarHBondContact NE2-SG 3.21Å; V71-C107 CarbonylContact O-C 3.54Å; V71-C107 VanDerWaalsContact O-CA 3.23Å; V71-C107 WeakPolarHBondContact O-CA 3.38Å; V71-C107 WeakPolarHBondContact O-CB 3.23Å; L103-C107 WeakPolarHBondContact CB-O 3.22Å; L103-C107 HydrophobicContact CD1-CB 4.49Å; L103-C107 PolarHBondContact N-O 3.32Å; N105-C107 VanDerWaalsContact C-N 3.31Å; N105-C107 PolarHBondContact O-N 2.89Å; N105-C107 VanDerWaalsContact OD1-CB 3.24Å; N105-C107 WeakPolarHBondContact OD1-CB 3.19Å; N105-C107 PolarHBondContact OD1-N 2.95Å; N105-C107 PolarHBondContact OD1-SG 3.46Å
108L91.5Very high80.9Confident6 Ų662.7 Ų62.73%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-107144.2167.7-55.7-179.7000108.9V71 A72 V73 W100 L101 E102 L123 K129 F130V71-L108 PolarHBondContact O-N 2.84Å; A72-L108 CarbonylContact C-O 3.54Å; A72-L108 WeakPolarHBondContact CA-O 3.24Å; A72-L108 HydrophobicContact CB-CB 4.26Å; V73-L108 PolarHBondContact N-O 3.49Å; W100-L108 HydrophobicContact CE3-CB 3.8Å; W100-L108 HydrophobicContact CZ3-CB 4.12Å; L101-L108 CarbonylContact O-C 3.57Å; L101-L108 VanDerWaalsContact O-CA 3.23Å; L101-L108 WeakPolarHBondContact O-CA 3.35Å; E102-L108 HydrophobicContact CB-CD2 3.78Å; E102-L108 HydrophobicContact CG-CD2 3.78Å; L108-L123 HydrophobicContact CD1-CD1 4.29Å; L108-K129 HydrophobicContact CD1-CB 4.19Å; L108-F130 HydrophobicContact CD1-CB 4.41Å; L108-F130 HydrophobicContact CD1-CD1 4.28Å
109C88.9Confident82.2Confident4 Ų455.6 Ų55.63%0.02727%0.266CS..EExtended strand (participates in β ladder)trans-135.6148.816763.60000112.8L63 V73 L101L63-C109 HydrophobicContact CD1-CB 4.29Å; L63-C109 HydrophobicContact CD2-CB 4.09Å; V73-C109 HydrophobicContact CB-CB 4.39Å; V73-C109 VanDerWaalsContact O-CA 3.29Å; V73-C109 WeakPolarHBondContact O-CA 3.21Å; L101-C109 PolarHBondContact N-O 3.3Å; L101-C109 PolarHBondContact O-N 2.84Å
110C84.4Confident82.9Confident7 Ų748.6 Ų48.65%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-136.8158.316471.70000110.4V73 L75 W100V73-C110 PolarHBondContact O-N 2.85Å; L75-C110 PolarHBondContact N-O 3.1Å; W100-C110 HydrophobicContact CD2-CB 3.94Å; W100-C110 HydrophobicContact CE3-CB 3.98Å; W100-C110 HydrophobicContact CG-CB 4.43Å; W100-C110 HydrophobicContact CH2-CB 4.3Å; W100-C110 WeakPolarHBondContact CH2-SG 3.31Å; W100-C110 HydrophobicContact CZ2-CB 4.21Å; W100-C110 WeakPolarHBondContact CZ2-SG 3.27Å; W100-C110 HydrophobicContact CZ3-CB 4.18Å
111S79.9Confident83Confident13 Ų1349.5 Ų49.59%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-105.3138.9169.2-166.30000108.3E77E77-S111 WeakPolarHBondContact CG-OG 3.45Å; E77-S111 WeakPolarHBondContact OE2-CB 3.29Å; E77-S111 PolarHBondContact OE2-OG 3.38Å
112V74.1Confident83.1Confident21 Ų2152.2 Ų52.213%0.12725%0.254CS..EExtended strand (participates in β ladder)trans-132.8124.1174.7-65.70000113.7I74 L75 E77 D114 A119I74-V112 HydrophobicContact CG2-CG2 3.68Å; L75-V112 WeakPolarHBondContact O-CG2 3.5Å; L75-V112 PolarHBondContact O-N 3.39Å; E77-V112 PolarHBondContact N-O 2.89Å; E77-V112 PolarHBondContact OE2-N 3.41Å; V112-D114 VanDerWaalsContact C-N 3.32Å; V112-A119 HydrophobicContact CG1-CB 3.9Å; V112-A119 HydrophobicContact CG2-CB 4.39Å
113K65.5Low83Confident120 Ų12046.6 Ų46.652%0.52223%0.228SC..SBendtrans-76.7-25.5162.5-57.3164.9-163.3145.80111.9E77 E98E77-K113 HydrophobicContact CB-CG 4.16Å; E77-K113 HydrophobicContact CG-CG 4.33Å; E77-K113 WeakPolarHBondContact OE1-CE 3.46Å; E77-K113 WeakPolarHBondContact OE1-CG 3.37Å; E77-K113 WeakPolarHBondContact OE2-CG 3.4Å; E77-K113 PolarHBondContact OE2-N 3.47Å; E98-K113 IonicContact OE1-NZ 3.48Å
114D64.3Low82.9Confident86 Ų8646.7 Ų46.746%0.4623%0.228SC..SBendtrans-95171.6-173.8-135.525.7000110.9V112 G116 R118V112-D114 VanDerWaalsContact C-N 3.32Å; D114-G116 PolarHBondContact O-N 3.26Å; D114-R118 IonicContact OD1-NH1 3.64Å; D114-R118 WeakPolarHBondContact OD2-CD 3.32Å; D114-R118 IonicContact OD2-CZ 2.65Å; D114-R118 IonicContact OD2-NE 2.69Å; D114-R118 IonicContact OD2-NH1 3.98Å; D114-R118 PolarHBondContact OD2-NH1 3.41Å
115S74.7Confident82.8Confident57 Ų5741.7 Ų41.740%0.39922%0.216SC..  trans-58.2128.2-179.7-177.60000112.6L117 R118S115-L117 PolarHBondContact O-N 3.33Å; S115-L117 WeakPolarHBondContact OG-CB 3.33Å; S115-L117 PolarHBondContact OG-N 3.28Å; S115-R118 WeakPolarHBondContact O-CB 3.26Å; S115-R118 PolarHBondContact O-N 2.91Å
116G78Confident82.7Confident15 Ų1544 Ų4416%0.15522%0.224CC..Hα-helixtrans-54.9-15.7172.900000114.8D114 A119 I120D114-G116 PolarHBondContact O-N 3.26Å; G116-A119 WeakPolarHBondContact O-CB 3.43Å; G116-A119 PolarHBondContact O-N 3.39Å; G116-I120 WeakPolarHBondContact O-CG1 3.41Å; G116-I120 PolarHBondContact O-N 2.83Å; G116-I120 VanDerWaalsContact O-N 3.09Å
117L79Confident82.5Confident38 Ų3849.4 Ų49.420%0.19924%0.241CC..Hα-helixtrans-53.2-55.1165178.654.4000111.3S115 A119 I120 E121 I145 V149S115-L117 PolarHBondContact O-N 3.33Å; S115-L117 WeakPolarHBondContact OG-CB 3.33Å; S115-L117 PolarHBondContact OG-N 3.28Å; L117-A119 VanDerWaalsContact C-N 3.27Å; L117-A119 PolarHBondContact O-N 3.23Å; L117-I120 PolarHBondContact O-N 2.97Å; L117-I120 VanDerWaalsContact O-N 3.15Å; L117-E121 HydrophobicContact CD1-CG 4.26Å; L117-E121 WeakPolarHBondContact O-CG 2.78Å; L117-E121 PolarHBondContact O-N 2.94Å; L117-I145 HydrophobicContact CB-CG2 3.86Å; L117-I145 HydrophobicContact CD2-CD1 4.49Å; L117-V149 HydrophobicContact CD1-CG2 3.38Å
118R81.1Confident82.2Confident146 Ų14651.7 Ų51.755%0.55127%0.265SS*.Hα-helixtrans-62.1-36.6179.7-73.5178.2165.4-172.9-4.7111.7D114 S115 I120 E121 N122D114-R118 IonicContact OD1-NH1 3.64Å; D114-R118 WeakPolarHBondContact OD2-CD 3.32Å; D114-R118 IonicContact OD2-CZ 2.65Å; D114-R118 IonicContact OD2-NE 2.69Å; D114-R118 IonicContact OD2-NH1 3.98Å; D114-R118 PolarHBondContact OD2-NH1 3.41Å; S115-R118 WeakPolarHBondContact O-CB 3.26Å; S115-R118 PolarHBondContact O-N 2.91Å; R118-I120 PolarHBondContact O-N 3.15Å; R118-E121 PolarHBondContact O-N 2.94Å; R118-N122 WeakPolarHBondContact O-CB 3.41Å; R118-N122 PolarHBondContact O-N 3.36Å; R118-N122 PolarHBondContact O-ND2 3.47Å
119A84.5Confident82.2Confident5 Ų556.2 Ų56.24%0.04128%0.284CS..Hα-helixtrans-57.7-48.2174.800000111.1I74 V112 G116 L117 N122 L123I74-A119 HydrophobicContact CD1-CB 3.83Å; I74-A119 HydrophobicContact CG1-CB 4.05Å; I74-A119 HydrophobicContact CG2-CB 3.69Å; V112-A119 HydrophobicContact CG1-CB 3.9Å; V112-A119 HydrophobicContact CG2-CB 4.39Å; G116-A119 WeakPolarHBondContact O-CB 3.43Å; G116-A119 PolarHBondContact O-N 3.39Å; L117-A119 VanDerWaalsContact C-N 3.27Å; L117-A119 PolarHBondContact O-N 3.23Å; A119-N122 PolarHBondContact O-N 2.93Å; A119-L123 VanDerWaalsContact O-CB 3.24Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 PolarHBondContact O-N 3.36Å
120I85.9Confident82.4Confident1 Ų156.3 Ų56.31%0.00528%0.284CS..Hα-helixtrans-69.5-40.4178.2-57163.4000111.3I74 G116 L117 R118 N122 L123 M124 I133 V149 L155I74-I120 HydrophobicContact CD1-CD1 4.49Å; I74-I120 HydrophobicContact CD1-CG1 3.54Å; G116-I120 WeakPolarHBondContact O-CG1 3.41Å; G116-I120 PolarHBondContact O-N 2.83Å; G116-I120 VanDerWaalsContact O-N 3.09Å; L117-I120 PolarHBondContact O-N 2.97Å; L117-I120 VanDerWaalsContact O-N 3.15Å; R118-I120 PolarHBondContact O-N 3.15Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.09Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 3.36Å; I120-L123 VanDerWaalsContact O-N 3.16Å; I120-M124 HydrophobicContact CG2-CG 4.12Å; I120-M124 VanDerWaalsContact O-CG 3.31Å; I120-M124 WeakPolarHBondContact O-CG 3.32Å; I120-M124 PolarHBondContact O-N 2.98Å; I120-I133 HydrophobicContact CG2-CD1 4.16Å; I120-V149 HydrophobicContact CB-CG1 4.28Å; I120-V149 HydrophobicContact CD1-CG1 4.42Å; I120-V149 HydrophobicContact CG2-CG1 3.63Å; I120-L155 HydrophobicContact CG2-CD1 4.07Å
121E85.4Confident82.8Confident50 Ų5059.5 Ų59.523%0.23430%0.301CS..Hα-helixtrans-61.9-38.2177-66.2-165.5134.900112.7L117 R118 Q125 K152 Y153L117-E121 HydrophobicContact CD1-CG 4.26Å; L117-E121 WeakPolarHBondContact O-CG 2.78Å; L117-E121 PolarHBondContact O-N 2.94Å; R118-E121 PolarHBondContact O-N 2.94Å; E121-Q125 PolarHBondContact O-NE2 3.5Å; E121-K152 IonicContact OE1-NZ 3.48Å; E121-K152 PolarHBondContact OE1-NZ 3.22Å; E121-Y153 HydrophobicContact CG-CE2 3.93Å
122N85.4Confident83.4Confident81 Ų8162.1 Ų62.143%0.43331%0.309SS..Hα-helixtrans-74.5-29174-72.3-20.3000113.1R118 A119 I120 Q125R118-N122 WeakPolarHBondContact O-CB 3.41Å; R118-N122 PolarHBondContact O-N 3.36Å; R118-N122 PolarHBondContact O-ND2 3.47Å; A119-N122 PolarHBondContact O-N 2.93Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.09Å; N122-Q125 PolarHBondContact OD1-NE2 3.39Å
123L87.1Confident84.3Confident0 Ų061.1 Ų61.10%030%0.303CS..Hα-helixtrans-72.3-39.6174.2-179.259.4000112A72 W100 L108 A119 I120 Q125 K126 F130 I133A72-L123 HydrophobicContact CB-CD1 3.7Å; A72-L123 HydrophobicContact CB-CD2 3.51Å; A72-L123 HydrophobicContact CB-CG 4.21Å; W100-L123 HydrophobicContact CD2-CD1 4.3Å; W100-L123 HydrophobicContact CE3-CD1 4.24Å; W100-L123 HydrophobicContact CH2-CB 4.11Å; W100-L123 HydrophobicContact CH2-CD1 3.77Å; W100-L123 HydrophobicContact CH2-CD2 3.78Å; W100-L123 HydrophobicContact CH2-CG 4.08Å; W100-L123 HydrophobicContact CZ2-CB 3.61Å; W100-L123 HydrophobicContact CZ2-CD1 3.87Å; W100-L123 HydrophobicContact CZ2-CD2 4.16Å; W100-L123 HydrophobicContact CZ2-CG 4.07Å; W100-L123 HydrophobicContact CZ3-CD1 3.97Å; L108-L123 HydrophobicContact CD1-CD1 4.29Å; A119-L123 VanDerWaalsContact O-CB 3.24Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 PolarHBondContact O-N 3.36Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 3.36Å; I120-L123 VanDerWaalsContact O-N 3.16Å; L123-Q125 PolarHBondContact O-N 2.92Å; L123-K126 WeakPolarHBondContact O-CA 3.44Å; L123-K126 WeakPolarHBondContact O-CB 3.29Å; L123-K126 PolarHBondContact O-N 2.62Å; L123-F130 HydrophobicContact CD1-CD1 3.6Å; L123-F130 HydrophobicContact CD1-CE1 3.45Å; L123-F130 VanDerWaalsContact CD1-CE1 3.45Å; L123-F130 HydrophobicContact CD1-CE2 4.44Å; L123-F130 HydrophobicContact CD1-CG 4.2Å; L123-F130 HydrophobicContact CD1-CZ 3.93Å; L123-F130 HydrophobicContact CD2-CD2 4.47Å; L123-F130 HydrophobicContact CD2-CE1 4.49Å; L123-F130 HydrophobicContact CD2-CE2 4.1Å; L123-F130 HydrophobicContact CD2-CZ 4.14Å; L123-F130 HydrophobicContact CG-CD1 4.2Å; L123-F130 HydrophobicContact CG-CE1 3.64Å; L123-F130 HydrophobicContact CG-CE2 4.04Å; L123-F130 HydrophobicContact CG-CZ 3.57Å; L123-F130 VanDerWaalsContact O-CE1 3.3Å; L123-F130 WeakPolarHBondContact O-CE1 3.26Å; L123-I133 HydrophobicContact CD2-CD1 3.86Å; L123-I133 HydrophobicContact CD2-CG1 3.82Å; L123-I133 HydrophobicContact CD2-CG2 4.12Å
124M87.1Confident85.6Confident24 Ų2455.7 Ų55.712%0.11828%0.28CS..Hα-helixtrans-63.6-21.8179.9-73-56.9-58.300113.1I42 I120 K126 K127 F130 I133 Y153 L155I42-M124 HydrophobicContact CD1-CE 4.14Å; I42-M124 HydrophobicContact CD1-SD 4.15Å; I120-M124 HydrophobicContact CG2-CG 4.12Å; I120-M124 VanDerWaalsContact O-CG 3.31Å; I120-M124 WeakPolarHBondContact O-CG 3.32Å; I120-M124 PolarHBondContact O-N 2.98Å; M124-K126 PolarHBondContact O-N 3.05Å; M124-K127 HydrophobicContact CE-CD 4.15Å; M124-K127 WeakPolarHBondContact O-CB 3.33Å; M124-K127 PolarHBondContact O-N 3.49Å; M124-F130 HydrophobicContact SD-CZ 4.31Å; M124-I133 HydrophobicContact SD-CD1 4.4Å; M124-Y153 HydrophobicContact CB-CD1 3.86Å; M124-Y153 HydrophobicContact CB-CE1 3.83Å; M124-Y153 HydrophobicContact CE-CD1 4.06Å; M124-Y153 HydrophobicContact CE-CG 4.48Å; M124-Y153 HydrophobicContact CG-CD1 3.7Å; M124-Y153 HydrophobicContact CG-CE1 4.07Å; M124-Y153 HydrophobicContact CG-CG 3.96Å; M124-L155 HydrophobicContact CE-CD2 4.47Å; M124-L155 HydrophobicContact SD-CD2 4.06Å
125Q87.1Confident86.8Confident149 Ų14952.1 Ų52.170%0.69626%0.261SS*.THydrogen-bonded Turntrans-67.1-22169.2-61.5168.939.500112.8E121 N122 L123E121-Q125 PolarHBondContact O-NE2 3.5Å; N122-Q125 PolarHBondContact OD1-NE2 3.39Å; L123-Q125 PolarHBondContact O-N 2.92Å
126K86.8Confident87.4Confident78 Ų7850.5 Ų50.534%0.33925%0.247SC..THydrogen-bonded Turntrans-99.519.1177-56.6-174.217671.30112.8W100 L123 M124 G128 K129 F130W100-K126 HydrophobicContact CG-CD 4.42Å; L123-K126 WeakPolarHBondContact O-CA 3.44Å; L123-K126 WeakPolarHBondContact O-CB 3.29Å; L123-K126 PolarHBondContact O-N 2.62Å; M124-K126 PolarHBondContact O-N 3.05Å; K126-G128 PolarHBondContact O-N 3.26Å; K126-K129 WeakPolarHBondContact O-CB 3.45Å; K126-K129 PolarHBondContact O-N 3.16Å; K126-K129 VanDerWaalsContact O-N 3.1Å; K126-F130 HydrophobicContact CB-CE1 4.44Å; K126-F130 WeakPolarHBondContact O-CE1 3.28Å
127K87.1Confident87.5Confident137 Ų13750.5 Ų50.560%0.59624%0.244SC*.THydrogen-bonded Turntrans-51.1134.2-178.3179.8172.2-179.4-179.30111.3I42 M124I42-K127 HydrophobicContact CD1-CD 4.29Å; I42-K127 HydrophobicContact CD1-CG 4.14Å; M124-K127 HydrophobicContact CE-CD 4.15Å; M124-K127 WeakPolarHBondContact O-CB 3.33Å; M124-K127 PolarHBondContact O-N 3.49Å
128G88.4Confident87.2Confident48 Ų4851.2 Ų51.250%0.49525%0.25SS..THydrogen-bonded Turntrans97-15.9-175.500000114.5R70 K126R70-G128 PolarHBondContact NH1-O 3.14Å; R70-G128 PolarHBondContact NH2-O 1.89Å; R70-G128 VanDerWaalsContact NH2-O 3.13Å; K126-G128 PolarHBondContact O-N 3.26Å
129K90.9Very high86.2Confident101 Ų10145.4 Ų45.444%0.43924%0.236SC..SBendtrans-77.4-23.6166.7-80.4-71.1-157.4146.60113.7R70 E102 L108 K126R70-K129 WeakPolarHBondContact CD-O 3.36Å; R70-K129 PolarHBondContact NH1-O 2.96Å; E102-K129 IonicContact OE1-NZ 3.75Å; E102-K129 PolarHBondContact OE1-NZ 3.39Å; E102-K129 IonicContact OE2-NZ 3.71Å; E102-K129 PolarHBondContact OE2-NZ 2.92Å; L108-K129 HydrophobicContact CD1-CB 4.19Å; K126-K129 WeakPolarHBondContact O-CB 3.45Å; K126-K129 PolarHBondContact O-N 3.16Å; K126-K129 VanDerWaalsContact O-N 3.1Å
130F92.9Very high85.1Confident5 Ų552.8 Ų52.82%0.02227%0.273CS..  trans-134154.2-176.662.1-81.7000111I42 R70 A72 L108 L123 M124 K126 I133I42-F130 HydrophobicContact CD1-CE2 3.81Å; I42-F130 HydrophobicContact CD1-CZ 4.12Å; I42-F130 HydrophobicContact CG2-CD2 4.45Å; I42-F130 HydrophobicContact CG2-CE2 4.11Å; R70-F130 CarbonylContact O-C 3.58Å; R70-F130 WeakPolarHBondContact O-CA 3.46Å; R70-F130 WeakPolarHBondContact O-CB 3.1Å; A72-F130 HydrophobicContact CB-CB 3.86Å; A72-F130 HydrophobicContact CB-CD1 4.46Å; A72-F130 HydrophobicContact CB-CD2 3.98Å; A72-F130 HydrophobicContact CB-CG 3.83Å; L108-F130 HydrophobicContact CD1-CB 4.41Å; L108-F130 HydrophobicContact CD1-CD1 4.28Å; L123-F130 HydrophobicContact CD1-CD1 3.6Å; L123-F130 HydrophobicContact CD1-CE1 3.45Å; L123-F130 VanDerWaalsContact CD1-CE1 3.45Å; L123-F130 HydrophobicContact CD1-CE2 4.44Å; L123-F130 HydrophobicContact CD1-CG 4.2Å; L123-F130 HydrophobicContact CD1-CZ 3.93Å; L123-F130 HydrophobicContact CD2-CD2 4.47Å; L123-F130 HydrophobicContact CD2-CE1 4.49Å; L123-F130 HydrophobicContact CD2-CE2 4.1Å; L123-F130 HydrophobicContact CD2-CZ 4.14Å; L123-F130 HydrophobicContact CG-CD1 4.2Å; L123-F130 HydrophobicContact CG-CE1 3.64Å; L123-F130 HydrophobicContact CG-CE2 4.04Å; L123-F130 HydrophobicContact CG-CZ 3.57Å; L123-F130 VanDerWaalsContact O-CE1 3.3Å; L123-F130 WeakPolarHBondContact O-CE1 3.26Å; M124-F130 HydrophobicContact SD-CZ 4.31Å; K126-F130 HydrophobicContact CB-CE1 4.44Å; K126-F130 WeakPolarHBondContact O-CE1 3.28Å; F130-I133 HydrophobicContact CD2-CG1 4.02Å; F130-I133 HydrophobicContact CE2-CD1 3.89Å; F130-I133 HydrophobicContact CE2-CG1 3.66Å
131D93Very high84.1Confident75 Ų7554.3 Ų54.340%0.40129%0.286SS..SBendtrans-109.8-14.5-175.7-50.9-57.3000112.6P43 R70P43-D131 WeakPolarHBondContact CD-O 3.49Å; R70-D131 VanDerWaalsContact CB-OD2 3.25Å; R70-D131 WeakPolarHBondContact CB-OD2 3.36Å; R70-D131 WeakPolarHBondContact CG-OD2 3.43Å; R70-D131 IonicContact CZ-OD1 2.87Å; R70-D131 IonicContact CZ-OD2 3.62Å; R70-D131 PolarHBondContact N-OD2 3.4Å; R70-D131 IonicContact NE-OD1 2.62Å; R70-D131 PolarHBondContact NE-OD1 3.06Å; R70-D131 IonicContact NE-OD2 3.47Å; R70-D131 PolarHBondContact NE-OD2 3.41Å; R70-D131 IonicContact NH2-OD1 3.33Å; R70-D131 PolarHBondContact NH2-OD1 3.16Å; R70-D131 IonicContact NH2-OD2 2.6Å; R70-D131 PolarHBondContact O-N 3.06Å
132Y93.8Very high83.1Confident68 Ų6856.6 Ų56.627%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-153.8144.7-169.9-162.8-78.5000110.1P43 T45 V71 A72 L134P43-Y132 HydrophobicContact CB-CD2 3.93Å; P43-Y132 HydrophobicContact CB-CE2 3.9Å; P43-Y132 HydrophobicContact CG-CD2 3.39Å; P43-Y132 HydrophobicContact CG-CE2 3.88Å; P43-Y132 HydrophobicContact CG-CG 4.04Å; T45-Y132 WeakPolarHBondContact CB-OH 3.49Å; T45-Y132 PolarHBondContact OG1-OH 3.46Å; V71-Y132 HydrophobicContact CG1-CD1 4.07Å; A72-Y132 PolarHBondContact N-O 3.12Å; Y132-L134 HydrophobicContact CE1-CD1 4.28Å
133I92.4Very high82.1Confident0 Ų055.9 Ų55.90%030%0.3CS..EExtended strand (participates in β ladder)trans-113132.4173.2-54.4178.9000109.5I42 P43 V44 T45 A72 I74 I120 L123 M124 F130 L155I42-I133 HydrophobicContact CG2-CD1 4.36Å; I42-I133 HydrophobicContact CG2-CG1 4.07Å; P43-I133 PolarHBondContact O-N 3.4Å; V44-I133 CarbonylContact C-O 3.58Å; V44-I133 WeakPolarHBondContact CA-O 3.32Å; V44-I133 HydrophobicContact CB-CB 4.46Å; V44-I133 HydrophobicContact CG1-CG2 4.41Å; V44-I133 HydrophobicContact CG2-CB 3.99Å; V44-I133 HydrophobicContact CG2-CD1 4.09Å; V44-I133 HydrophobicContact CG2-CG1 4.45Å; V44-I133 HydrophobicContact CG2-CG2 4.46Å; T45-I133 PolarHBondContact N-O 2.89Å; A72-I133 WeakPolarHBondContact O-CA 3.38Å; I74-I133 HydrophobicContact CD1-CG2 4.16Å; I120-I133 HydrophobicContact CG2-CD1 4.16Å; L123-I133 HydrophobicContact CD2-CD1 3.86Å; L123-I133 HydrophobicContact CD2-CG1 3.82Å; L123-I133 HydrophobicContact CD2-CG2 4.12Å; M124-I133 HydrophobicContact SD-CD1 4.4Å; F130-I133 HydrophobicContact CD2-CG1 4.02Å; F130-I133 HydrophobicContact CE2-CD1 3.89Å; F130-I133 HydrophobicContact CE2-CG1 3.66Å; I133-L155 HydrophobicContact CD1-CD1 4.39Å
134L92.1Very high81.3Confident6 Ų657.5 Ų57.53%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-123.9120173.4-16871000109.4T45 I47 L59 I62 V71 A72 V73 I74 Y132T45-L134 HydrophobicContact CG2-CD1 3.86Å; T45-L134 CarbonylContact O-C 3.57Å; T45-L134 WeakPolarHBondContact O-CA 3.47Å; I47-L134 HydrophobicContact CD1-CD1 3.82Å; I47-L134 HydrophobicContact CD1-CD2 3.94Å; I47-L134 HydrophobicContact CD1-CG 4.1Å; I47-L134 HydrophobicContact CG1-CD1 3.88Å; I47-L134 HydrophobicContact CG1-CG 4.47Å; L59-L134 HydrophobicContact CD2-CD2 3.76Å; I62-L134 HydrophobicContact CD1-CD2 3.56Å; I62-L134 HydrophobicContact CG2-CD2 4.45Å; V71-L134 HydrophobicContact CG1-CB 3.93Å; A72-L134 PolarHBondContact O-N 3.05Å; V73-L134 CarbonylContact C-O 3.56Å; V73-L134 WeakPolarHBondContact CA-O 3.47Å; V73-L134 HydrophobicContact CG2-CB 4.22Å; V73-L134 HydrophobicContact CG2-CD2 4.24Å; I74-L134 PolarHBondContact N-O 2.89Å; Y132-L134 HydrophobicContact CE1-CD1 4.28Å
135L89Confident80.3Confident10 Ų1058.8 Ų58.85%0.05232%0.323CS..EExtended strand (participates in β ladder)trans-108.4119176176.362.1000108.7T45 I46 I47 I74 T137 I146T45-L135 PolarHBondContact O-N 3.48Å; I46-L135 CarbonylContact C-O 3.6Å; I46-L135 VanDerWaalsContact CA-O 3.31Å; I46-L135 WeakPolarHBondContact CA-O 3.25Å; I46-L135 HydrophobicContact CG1-CD2 4.48Å; I47-L135 PolarHBondContact N-O 3.47Å; I74-L135 HydrophobicContact CB-CD1 3.66Å; I74-L135 HydrophobicContact CD1-CD1 4.35Å; I74-L135 HydrophobicContact CG2-CD1 3.5Å; L135-T137 HydrophobicContact CD2-CG2 4.24Å; L135-T137 HydrophobicContact CG-CG2 4.03Å; L135-I146 HydrophobicContact CD2-CD1 3.74Å
136E87.3Confident79.5Confident24 Ų2452 Ų5211%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-81.5144.3165-171.4-92.1170.500110.1K55 L59 I74 N76K55-E136 HydrophobicContact CD-CG 4.48Å; K55-E136 WeakPolarHBondContact CE-OE1 3.38Å; K55-E136 IonicContact NZ-OE1 2.95Å; K55-E136 PolarHBondContact NZ-OE1 2.72Å; L59-E136 HydrophobicContact CD1-CB 3.97Å; L59-E136 HydrophobicContact CD1-CG 3.82Å; L59-E136 HydrophobicContact CD2-CB 4.45Å; I74-E136 PolarHBondContact O-N 2.72Å; N76-E136 WeakPolarHBondContact CB-O 3.49Å; N76-E136 PolarHBondContact N-OE2 3.17Å
137T80.4Confident78.8Confident14 Ų1452.3 Ų52.39%0.08630%0.3CS..  trans-142.2150.5174.155.50000109.9I46 I47 T48 K55 L135 A141I46-T137 HydrophobicContact CG2-CG2 3.92Å; I47-T137 PolarHBondContact O-N 2.81Å; I47-T137 PolarHBondContact O-OG1 3.11Å; T48-T137 WeakPolarHBondContact CA-OG1 3.49Å; T48-T137 VanDerWaalsContact CB-OG1 3.27Å; T48-T137 WeakPolarHBondContact CB-OG1 2.95Å; T48-T137 PolarHBondContact OG1-OG1 2.99Å; K55-T137 VanDerWaalsContact CE-O 3.26Å; K55-T137 WeakPolarHBondContact CE-O 3.44Å; L135-T137 HydrophobicContact CD2-CG2 4.24Å; L135-T137 HydrophobicContact CG-CG2 4.03Å; T137-A141 HydrophobicContact CG2-CB 3.84Å
138T72.7Confident78.2Confident54 Ų5450.5 Ų50.533%0.33130%0.296SS..  trans-67.3166.1160.957.20000110.2T48 F78 L140T48-T138 PolarHBondContact OG1-O 2.42Å; F78-T138 HydrophobicContact CB-CG2 3.75Å; T138-L140 PolarHBondContact O-N 3.46Å
139G61.1Low77.3Confident24 Ų2448.2 Ų48.225%0.24727%0.272CS..SBendtrans-65.422.5-17100000118T48 G49T48-G139 WeakPolarHBondContact OG1-CA 3.05Å; G49-G139 PolarHBondContact O-N 3.46Å
140L62.2Low76.6Confident159 Ų15945.6 Ų45.683%0.83226%0.263SS*.  trans-140.642.8-178.9-66.1175.2000111.3T138T138-L140 PolarHBondContact O-N 3.46Å
141A62.9Low75.8Confident34 Ų3450.2 Ų50.228%0.28130%0.296SS..  trans-67.1130.3177.200000112.3T137 P143T137-A141 HydrophobicContact CG2-CB 3.84Å; A141-P143 WeakPolarHBondContact O-CD 3.06Å
142D65.4Low75.1Confident98 Ų9852.5 Ų52.552%0.52430%0.302SS..  trans-80.3115.9171.3174.322.4000111.2G144D142-G144 VanDerWaalsContact C-N 3.25Å; D142-G144 PolarHBondContact O-N 3.04Å; D142-G144 PolarHBondContact OD1-N 3.5Å
143P64.1Low74.4Confident66 Ų6652.5 Ų52.543%0.42930%0.302SS..Hα-helixtrans-72.4-15.5177.231.7-36.9000113.8A141 I146 T147 Y159A141-P143 WeakPolarHBondContact O-CD 3.06Å; P143-I146 PolarHBondContact O-N 3.26Å; P143-T147 PolarHBondContact O-N 3.38Å; P143-T147 PolarHBondContact O-OG1 2.55Å; P143-Y159 VanDerWaalsContact CA-OH 3.22Å; P143-Y159 WeakPolarHBondContact CA-OH 3.01Å; P143-Y159 HydrophobicContact CB-CE1 3.96Å; P143-Y159 WeakPolarHBondContact CB-OH 3.11Å
144G70.8Confident73.7Confident33 Ų3353.8 Ų53.834%0.3432%0.316SS..Hα-helixtrans-60.6-47.4179.700000112.1D142 I146 T147 I148D142-G144 VanDerWaalsContact C-N 3.25Å; D142-G144 PolarHBondContact O-N 3.04Å; D142-G144 PolarHBondContact OD1-N 3.5Å; G144-I146 PolarHBondContact O-N 2.76Å; G144-T147 PolarHBondContact O-N 2.94Å; G144-I148 PolarHBondContact O-N 2.84Å
145I66.1Low73.1Confident51 Ų5153.5 Ų53.526%0.26231%0.314SS..Hα-helixtrans-47.2-48.4174.3-68.6-68.7000111.7L117 I148L117-I145 HydrophobicContact CB-CG2 3.86Å; L117-I145 HydrophobicContact CD2-CD1 4.49Å; I145-I148 WeakPolarHBondContact O-CB 3.28Å; I145-I148 PolarHBondContact O-N 2.98Å
146I69.5Low72.7Confident7 Ų759.5 Ų59.54%0.03634%0.34CS..Hα-helixtrans-85-24.1-166.3-55.3174.5000111.4I46 L135 P143 G144 I148 V149 D150 V157I46-I146 HydrophobicContact CD1-CD1 3.32Å; I46-I146 HydrophobicContact CD1-CG1 4.49Å; I46-I146 HydrophobicContact CD1-CG2 4.23Å; I46-I146 HydrophobicContact CG1-CD1 3.68Å; L135-I146 HydrophobicContact CD2-CD1 3.74Å; P143-I146 PolarHBondContact O-N 3.26Å; G144-I146 PolarHBondContact O-N 2.76Å; I146-I148 VanDerWaalsContact C-N 3.26Å; I146-I148 PolarHBondContact O-N 3.21Å; I146-V149 PolarHBondContact O-N 3.26Å; I146-V149 VanDerWaalsContact O-N 3.14Å; I146-D150 PolarHBondContact O-N 2.88Å; I146-V157 HydrophobicContact CG2-CB 4.49Å; I146-V157 HydrophobicContact CG2-CG1 3.8Å; I146-V157 HydrophobicContact CG2-CG2 3.79Å
147T72.5Confident72.5Confident84 Ų8460.1 Ų60.152%0.51535%0.345SS..Hα-helixtrans-61-35.6169.2-54.30000111.9P143 G144 S151P143-T147 PolarHBondContact O-N 3.38Å; P143-T147 PolarHBondContact O-OG1 2.55Å; G144-T147 PolarHBondContact O-N 2.94Å; T147-S151 WeakPolarHBondContact O-CB 3.28Å; T147-S151 PolarHBondContact O-N 2.94Å; T147-S151 PolarHBondContact O-OG 2.94Å
148I74.3Confident72.7Confident99 Ų9964.9 Ų64.951%0.50837%0.365SS..Hα-helixtrans-66.4-42173.5-59165.8000110.5G144 I145 I146 S151 K152G144-I148 PolarHBondContact O-N 2.84Å; I145-I148 WeakPolarHBondContact O-CB 3.28Å; I145-I148 PolarHBondContact O-N 2.98Å; I146-I148 VanDerWaalsContact C-N 3.26Å; I146-I148 PolarHBondContact O-N 3.21Å; I148-S151 PolarHBondContact O-N 3.37Å; I148-K152 WeakPolarHBondContact O-CB 3.1Å; I148-K152 PolarHBondContact O-N 2.8Å
149V70.3Confident73.1Confident1 Ų167.1 Ų67.11%0.00637%0.368CS..Hα-helixtrans-67-44.1-178.7-168.70000112L117 I120 I146 S151 K152 Y153 L155L117-V149 HydrophobicContact CD1-CG2 3.38Å; I120-V149 HydrophobicContact CB-CG1 4.28Å; I120-V149 HydrophobicContact CD1-CG1 4.42Å; I120-V149 HydrophobicContact CG2-CG1 3.63Å; I146-V149 PolarHBondContact O-N 3.26Å; I146-V149 VanDerWaalsContact O-N 3.14Å; V149-S151 PolarHBondContact O-N 3.44Å; V149-K152 PolarHBondContact O-N 3.47Å; V149-Y153 HydrophobicContact CG1-CD2 3.69Å; V149-Y153 HydrophobicContact CG1-CE2 4.4Å; V149-Y153 WeakPolarHBondContact O-CB 3.46Å; V149-Y153 PolarHBondContact O-N 3.44Å; V149-L155 HydrophobicContact CB-CD1 4.43Å; V149-L155 HydrophobicContact CG1-CD1 3.45Å; V149-L155 VanDerWaalsContact CG1-CD1 3.45Å
150D76.1Confident73.9Confident45 Ų4573.1 Ų73.124%0.24139%0.389CS..Hα-helixtrans-57.2-51.3174.5-175.2-2.6000110.5K41 I146 K152 Y153 G154 L155 V157K41-D150 IonicContact NZ-OD1 3.51Å; K41-D150 PolarHBondContact NZ-OD1 2.92Å; K41-D150 IonicContact NZ-OD2 3.67Å; I146-D150 PolarHBondContact O-N 2.88Å; D150-K152 PolarHBondContact O-N 2.73Å; D150-K152 VanDerWaalsContact O-N 3.15Å; D150-Y153 PolarHBondContact O-N 2.62Å; D150-G154 WeakPolarHBondContact O-CA 3.18Å; D150-G154 PolarHBondContact O-N 2.99Å; D150-L155 PolarHBondContact OD1-N 3.5Å; D150-V157 HydrophobicContact CB-CG2 4.14Å
151S76.6Confident74.5Confident103 Ų10368.9 Ų68.972%0.7237%0.367SS*.Hα-helixtrans-57.3-32.1179.9-55.20000113.6T147 I148 V149T147-S151 WeakPolarHBondContact O-CB 3.28Å; T147-S151 PolarHBondContact O-N 2.94Å; T147-S151 PolarHBondContact O-OG 2.94Å; I148-S151 PolarHBondContact O-N 3.37Å; V149-S151 PolarHBondContact O-N 3.44Å
152K77.6Confident75.1Confident122 Ų12270.7 Ų70.753%0.5337%0.372SS..Hα-helixtrans-91.6-32.9-176.6-176.6175.1172.3-172.70114.2E121 I148 V149 D150E121-K152 IonicContact OE1-NZ 3.48Å; E121-K152 PolarHBondContact OE1-NZ 3.22Å; I148-K152 WeakPolarHBondContact O-CB 3.1Å; I148-K152 PolarHBondContact O-N 2.8Å; V149-K152 PolarHBondContact O-N 3.47Å; D150-K152 PolarHBondContact O-N 2.73Å; D150-K152 VanDerWaalsContact O-N 3.15Å
153Y79.6Confident75.6Confident68 Ų6869.2 Ų69.227%0.26736%0.363SS..Hα-helixtrans-119-5.3-170.5-67.8-77.7000114.7E121 M124 V149 D150E121-Y153 HydrophobicContact CG-CE2 3.93Å; M124-Y153 HydrophobicContact CB-CD1 3.86Å; M124-Y153 HydrophobicContact CB-CE1 3.83Å; M124-Y153 HydrophobicContact CE-CD1 4.06Å; M124-Y153 HydrophobicContact CE-CG 4.48Å; M124-Y153 HydrophobicContact CG-CD1 3.7Å; M124-Y153 HydrophobicContact CG-CE1 4.07Å; M124-Y153 HydrophobicContact CG-CG 3.96Å; V149-Y153 HydrophobicContact CG1-CD2 3.69Å; V149-Y153 HydrophobicContact CG1-CE2 4.4Å; V149-Y153 WeakPolarHBondContact O-CB 3.46Å; V149-Y153 PolarHBondContact O-N 3.44Å; D150-Y153 PolarHBondContact O-N 2.62Å
154G76.9Confident76.3Confident27 Ų2769.4 Ų69.428%0.27836%0.359SS..  trans65.859.4-179.600000112K41 D150K41-G154 VanDerWaalsContact CA-O 3.29Å; K41-G154 WeakPolarHBondContact CA-O 3.22Å; K41-G154 WeakPolarHBondContact CB-O 3.25Å; K41-G154 VanDerWaalsContact CE-C 3.44Å; K41-G154 VanDerWaalsContact CG-O 3.25Å; K41-G154 WeakPolarHBondContact CG-O 3.16Å; D150-G154 WeakPolarHBondContact O-CA 3.18Å; D150-G154 PolarHBondContact O-N 2.99Å
155L79.7Confident76.7Confident1 Ų171.6 Ų71.61%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-98.3170.9-178.6-57.9-174.9000111.4K41 I42 V44 I120 M124 I133 V149 D150K41-L155 WeakPolarHBondContact CD-O 3.33Å; K41-L155 VanDerWaalsContact CE-O 3.27Å; K41-L155 WeakPolarHBondContact CE-O 3.47Å; K41-L155 PolarHBondContact NZ-O 2.99Å; I42-L155 HydrophobicContact CB-CD2 3.93Å; I42-L155 CarbonylContact O-C 3.57Å; I42-L155 WeakPolarHBondContact O-CA 3.27Å; V44-L155 HydrophobicContact CG2-CB 3.78Å; V44-L155 HydrophobicContact CG2-CD1 3.56Å; V44-L155 HydrophobicContact CG2-CD2 4.48Å; V44-L155 HydrophobicContact CG2-CG 4.13Å; I120-L155 HydrophobicContact CG2-CD1 4.07Å; M124-L155 HydrophobicContact CE-CD2 4.47Å; M124-L155 HydrophobicContact SD-CD2 4.06Å; I133-L155 HydrophobicContact CD1-CD1 4.39Å; V149-L155 HydrophobicContact CB-CD1 4.43Å; V149-L155 HydrophobicContact CG1-CD1 3.45Å; V149-L155 VanDerWaalsContact CG1-CD1 3.45Å; D150-L155 PolarHBondContact OD1-N 3.5Å
156K81.6Confident77.4Confident135 Ų13573 Ų7359%0.58737%0.367SS*.EExtended strand (participates in β ladder)trans-125.592173.1-173.7171.9-176.9171.20110.2K41 I42 V44K41-K156 HydrophobicContact CB-CB 4.23Å; I42-K156 PolarHBondContact O-N 2.82Å; V44-K156 PolarHBondContact N-O 2.84Å; V44-K156 VanDerWaalsContact O-O 3.1Å
157V82.3Confident77.9Confident37 Ų3777.7 Ų77.722%0.22439%0.391CS..EExtended strand (participates in β ladder)trans-81.6141.4-170-172.80000112.1V44 I46 I146 D150 Y159V44-V157 HydrophobicContact CB-CG2 4.28Å; V44-V157 CarbonylContact O-C 3.44Å; V44-V157 WeakPolarHBondContact O-CA 3.3Å; I46-V157 HydrophobicContact CD1-CG1 3.62Å; I146-V157 HydrophobicContact CG2-CB 4.49Å; I146-V157 HydrophobicContact CG2-CG1 3.8Å; I146-V157 HydrophobicContact CG2-CG2 3.79Å; D150-V157 HydrophobicContact CB-CG2 4.14Å; V157-Y159 HydrophobicContact CG1-CD2 4.34Å; V157-Y159 HydrophobicContact CG1-CE2 3.75Å
158K84.6Confident78.3Confident115 Ų11577.2 Ų77.250%0.538%0.381SS..EExtended strand (participates in β ladder)trans-134.8152165.1-67.7-171.5175.1-169.90110.8V44 T45 I46V44-K158 PolarHBondContact O-N 3.29Å; T45-K158 WeakPolarHBondContact CA-O 3.43Å; I46-K158 PolarHBondContact N-O 3.18Å
159Y81.1Confident78.7Confident100 Ų10075.4 Ų75.439%0.39237%0.371SS..EExtended strand (participates in β ladder)trans-114136.1172.4-65-103.7000108.4I46 P143 V157I46-Y159 HydrophobicContact CB-CD1 4.29Å; I46-Y159 HydrophobicContact CD1-CD1 3.6Å; I46-Y159 HydrophobicContact CD1-CD2 4.1Å; I46-Y159 HydrophobicContact CD1-CE1 3.25Å; I46-Y159 HydrophobicContact CD1-CE2 3.77Å; I46-Y159 HydrophobicContact CD1-CG 4.01Å; I46-Y159 HydrophobicContact CG2-CD1 4.48Å; P143-Y159 VanDerWaalsContact CA-OH 3.22Å; P143-Y159 WeakPolarHBondContact CA-OH 3.01Å; P143-Y159 HydrophobicContact CB-CE1 3.96Å; P143-Y159 WeakPolarHBondContact CB-OH 3.11Å; V157-Y159 HydrophobicContact CG1-CD2 4.34Å; V157-Y159 HydrophobicContact CG1-CE2 3.75Å
160H78.1Confident79.5Confident151 Ų15182.2 Ų82.270%0.69940%0.404SS*.  trans-144.10-178.1-77.5-68.3000111.2T45 I46 I47 T48T45-H160 HydrophobicContact CG2-CB 4.37Å; I46-H160 PolarHBondContact O-N 3.4Å; I47-H160 CarbonylContact C-O 3.56Å; I47-H160 WeakPolarHBondContact CA-O 3.09Å; T48-H160 PolarHBondContact N-O 2.65Å

Retrieved 160 of 160 residues in 74.4 ms (Link to these results)