A0A060KQ13_PANTA Loading...

Neurotrophin-4

AlphaFold DB (A0A6P4U842), UniProt , Accession A0A060KQ13, Species PANTA (Panthera tigris altaica, Siberian tiger), Gene NTF4, Length 210 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
1M34.9Very low43.6Very low235 Ų235139.5 Ų139.5100%1.15882%0.819SS**  0121.20-75.3177.4166.300107.1
2L35Very low44Very low159 Ų159140.3 Ų140.383%0.83282%0.816SS**  trans34.5125.9148.2-61.9152.5000117.1
3L34.8Very low44.6Very low156 Ų156139.2 Ų139.282%0.81780%0.804SS**  -177.2140.255.6-15276.1000108.7
4S34.4Very low45Very low106 Ų106139.3 Ų139.374%0.74180%0.799SS**  trans-79.4-174.1161.9-52.60000110.3
5P50.1Low45.3Very low114 Ų114141.9 Ų141.974%0.7480%0.798SS**  -126174.2-55.832.5-14.9000110.8
6S42.2Very low45.7Very low121 Ų121142.9 Ų142.985%0.84680%0.8SS**  trans-145.5110.9153.9-78.40000110.4
7C43.8Very low45.9Very low110 Ų110143.1 Ų143.174%0.74380%0.798SS**  trans-76.7121.6-174.4-163.20000109.3
8S48.1Very low46Very low118 Ų118141.2 Ų141.283%0.82579%0.793SS**  trans-131.289.2168.1-310000107.9
9L52.3Low46.1Very low144 Ų144139.9 Ų139.975%0.75479%0.794SS**  trans-76.7140.9171.1-79.7154.4000109.4
10P48.7Very low46.6Very low119 Ų119139.3 Ų139.377%0.77379%0.793SS**  trans-72.2130.5174.330.4-31.2000109.5L12P10-L12 PolarHBondContact O-N 3.05Å
11I55Low46.8Very low153 Ų153138.2 Ų138.279%0.78579%0.791SS**  trans-70.4100.6176.2-62.8166.4000107.6L13I11-L13 HydrophobicContact CG2-CD1 4.21Å; I11-L13 PolarHBondContact O-N 3.19Å
12L48.4Very low47.4Very low149 Ų149135.9 Ų135.978%0.7878%0.78SS**  trans-75.299.1167.9-163.581.2000107.7P10 L14P10-L12 PolarHBondContact O-N 3.05Å; L12-L14 PolarHBondContact O-N 3.13Å
13L52.5Low48.2Very low126 Ų126136.5 Ų136.566%0.6678%0.779SS**  trans-71.690.6176.1-133114.1000109I11 F15I11-L13 HydrophobicContact CG2-CD1 4.21Å; I11-L13 PolarHBondContact O-N 3.19Å; L13-F15 HydrophobicContact CD2-CD2 4.3Å; L13-F15 HydrophobicContact CD2-CE2 3.87Å; L13-F15 HydrophobicContact CD2-CZ 4.14Å; L13-F15 PolarHBondContact O-N 2.97Å; L13-F15 VanDerWaalsContact O-N 3.13Å
14L49.8Very low48.8Very low140 Ų140134.5 Ų134.573%0.73378%0.775SS**  trans-67.9102166.1-87.7149.2000108.2L12 L16L12-L14 PolarHBondContact O-N 3.13Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 2.92Å
15F48.8Very low49.6Very low178 Ų178137.9 Ų137.978%0.78178%0.778SS**  trans-65.790.3163.8-85.3-87.9000108.7L13 L17L13-F15 HydrophobicContact CD2-CD2 4.3Å; L13-F15 HydrophobicContact CD2-CE2 3.87Å; L13-F15 HydrophobicContact CD2-CZ 4.14Å; L13-F15 PolarHBondContact O-N 2.97Å; L13-F15 VanDerWaalsContact O-N 3.13Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 PolarHBondContact O-N 3.05Å
16L51.8Low49.7Very low158 Ų158137.7 Ų137.783%0.82778%0.777SS**  trans-71.390.3161.5-75.5160.1000107.5L14L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 2.92Å
17L50.1Low50.5Low146 Ų146136.9 Ų136.976%0.76477%0.769SS**  trans-60.9123.9161.9-80.9150.3000107.3F15 S19F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 PolarHBondContact O-N 3.05Å; L17-S19 PolarHBondContact O-N 2.9Å
18P46.4Very low51.1Low110 Ų110137.6 Ų137.671%0.71477%0.772SS**  trans-63115.9172.124.6-29.7000107.8V20P18-V20 PolarHBondContact O-N 3.06Å
19S49.7Very low51.3Low117 Ų117139.4 Ų139.482%0.81877%0.772SS**  trans-57.7101.3169.8-52.60000108L17 P21L17-S19 PolarHBondContact O-N 2.9Å; S19-P21 WeakPolarHBondContact O-CD 3.37Å
20V54.3Low51.5Low127 Ų127137.9 Ų137.977%0.7777%0.771SS**  trans-61.4121.8172.3-176.50000106.5P18 M22P18-V20 PolarHBondContact O-N 3.06Å; V20-M22 PolarHBondContact O-N 3.08Å; V20-M22 VanDerWaalsContact O-N 3.08Å
21P51.4Low52Low116 Ų116139 Ų13975%0.75377%0.769SS**  trans-61.3118.1173.3-15.428.5000107.5S19 E23S19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-E23 VanDerWaalsContact C-N 3.34Å; P21-E23 PolarHBondContact O-N 2.94Å
22M46.7Very low51.9Low186 Ų186137 Ų13792%0.91677%0.766SS**  trans-69.597.2172.8-168140.416900107.2V20V20-M22 PolarHBondContact O-N 3.08Å; V20-M22 VanDerWaalsContact O-N 3.08Å
23E53.2Low51.9Low173 Ų173134.8 Ų134.881%0.80876%0.761SS**PPolyproline II helixtrans-61.1123.3176.2-167.7151.6105.300108.5P21 H25P21-E23 VanDerWaalsContact C-N 3.34Å; P21-E23 PolarHBondContact O-N 2.94Å; E23-H25 PolarHBondContact O-N 3.19Å
24P47.2Very low51.7Low113 Ų113135.6 Ų135.673%0.73476%0.76SS**PPolyproline II helixtrans-62.5124179.423.2-30000108.5
25H51.6Low51.6Low177 Ų177136.6 Ų136.682%0.81977%0.765SS**PPolyproline II helixtrans-52.2125171.6-91.154.4000108.7E23E23-H25 PolarHBondContact O-N 3.19Å
26P52.1Low51.6Low110 Ų110132.5 Ų132.571%0.71476%0.763SS**PPolyproline II helixtrans-61136.9173.925.1-31.2000107.8
27P59.3Low51.6Low104 Ų104128.9 Ų128.968%0.67575%0.749SS**PPolyproline II helixtrans-55.5148172.525.2-33.2000108.8L29P27-L29 PolarHBondContact O-N 3.22Å
28P55Low51.6Low125 Ų125126.4 Ų126.481%0.81273%0.734SS**PPolyproline II helixtrans-52.5120176.821.4-30.9000108.1
29L52.6Low51.3Low157 Ų157130.2 Ų130.282%0.82273%0.734SS**PPolyproline II helixtrans-49.7127.4-179.7-75.1159.6000108.1P27 L31P27-L29 PolarHBondContact O-N 3.22Å; L29-L31 PolarHBondContact O-N 2.84Å
30P56.3Low51.2Low112 Ų112132.3 Ų132.373%0.72774%0.736SS**PPolyproline II helixtrans-57.3129.116823.3-29.5000106.9
31L59Low51Low141 Ų141129.2 Ų129.274%0.73872%0.715SS**  trans-42.2129.5171.4-72164.4000107.8L29 P125L29-L31 PolarHBondContact O-N 2.84Å; L31-P125 HydrophobicContact CD1-CG 4.44Å
32P53Low51.5Low111 Ų111128.3 Ų128.372%0.72170%0.703SS**  trans-54.9135.1-171.520.8-31.3000109.1F34P32-F34 PolarHBondContact O-N 3.37Å
33P48.4Very low52.8Low104 Ų104120.9 Ų120.968%0.67567%0.67SS**  trans-55.9136.4176.224-31.7000108L35P33-L35 PolarHBondContact O-N 3.04Å
34F49.6Very low54.2Low143 Ų143115.6 Ų115.663%0.62765%0.65SS**  trans-52.7102.1175.3-72.8-86.6000108.9P32 A36 W190P32-F34 PolarHBondContact O-N 3.37Å; F34-A36 PolarHBondContact O-N 2.98Å; F34-W190 HydrophobicContact CE1-CZ2 4.34Å; F34-W190 HydrophobicContact CZ-CZ2 4.38Å
35L46.6Very low56.3Low161 Ų161111.3 Ų111.384%0.84362%0.62SS**  trans-70.4114.6168.2-70.6171.1000106.5P33P33-L35 PolarHBondContact O-N 3.04Å
36A49Very low58.2Low91 Ų91103.6 Ų103.675%0.75259%0.585SS**SBendtrans-89.3152.6-179.700000111.6F34F34-A36 PolarHBondContact O-N 2.98Å
37P52Low60Low82 Ų82100.6 Ų100.653%0.53257%0.565SS.*  cis-123.6111.7-3.634.4-16.1000113.1W39P37-W39 HydrophobicContact CB-CD2 4.08Å; P37-W39 HydrophobicContact CB-CG 3.86Å; P37-W39 HydrophobicContact CB-CZ2 4.3Å; P37-W39 PolarHBondContact O-N 2.84Å
38E50.5Low61.4Low95 Ų9598.2 Ų98.244%0.44455%0.546SS..  trans-70.854.9161.4159.4165.4165.600110.1D40 L41 R178E38-D40 PolarHBondContact O-N 2.86Å; E38-L41 HydrophobicContact CB-CD1 4.43Å; E38-L41 VanDerWaalsContact CD-CB 3.43Å; E38-L41 HydrophobicContact CG-CB 3.35Å; E38-L41 HydrophobicContact CG-CD1 3.39Å; E38-L41 HydrophobicContact CG-CG 3.64Å; E38-L41 PolarHBondContact O-N 3.44Å; E38-L41 WeakPolarHBondContact OE1-CB 3.41Å; E38-L41 WeakPolarHBondContact OE1-CD1 3.49Å; E38-L41 WeakPolarHBondContact OE1-CG 3.37Å; E38-L41 WeakPolarHBondContact OE2-CD1 3.43Å; E38-R178 IonicContact OE1-CZ 2.75Å; E38-R178 IonicContact OE1-NH1 3.73Å; E38-R178 PolarHBondContact OE1-NH1 2.68Å; E38-R178 IonicContact OE2-NH1 2.75Å
39W40.7Very low63Low190 Ų19094.1 Ų94.172%0.7252%0.52SS*.G310 helixtrans-63.6-26.2175.2-63.9126.1000111.6P37 L41 L42P37-W39 HydrophobicContact CB-CD2 4.08Å; P37-W39 HydrophobicContact CB-CG 3.86Å; P37-W39 HydrophobicContact CB-CZ2 4.3Å; P37-W39 PolarHBondContact O-N 2.84Å; W39-L41 VanDerWaalsContact C-N 3.29Å; W39-L41 PolarHBondContact O-N 3.47Å; W39-L42 HydrophobicContact CE3-CD1 3.91Å; W39-L42 HydrophobicContact CZ3-CD1 4.16Å
40D46.1Very low64.7Low161 Ų16194.4 Ų94.486%0.86151%0.51SS*.G310 helixtrans-74.2-11.1-177.8-67.5-35.8000115E38E38-D40 PolarHBondContact O-N 2.86Å
41L49.8Very low66.2Low62 Ų6290.8 Ų90.833%0.32549%0.494SS..G310 helixtrans-114.3-1.9-178.5-56.1160.8000112.2E38 W39 S43 W192E38-L41 HydrophobicContact CB-CD1 4.43Å; E38-L41 VanDerWaalsContact CD-CB 3.43Å; E38-L41 HydrophobicContact CG-CB 3.35Å; E38-L41 HydrophobicContact CG-CD1 3.39Å; E38-L41 HydrophobicContact CG-CG 3.64Å; E38-L41 PolarHBondContact O-N 3.44Å; E38-L41 WeakPolarHBondContact OE1-CB 3.41Å; E38-L41 WeakPolarHBondContact OE1-CD1 3.49Å; E38-L41 WeakPolarHBondContact OE1-CG 3.37Å; E38-L41 WeakPolarHBondContact OE2-CD1 3.43Å; W39-L41 VanDerWaalsContact C-N 3.29Å; W39-L41 PolarHBondContact O-N 3.47Å; L41-S43 PolarHBondContact O-N 3.44Å; L41-W192 HydrophobicContact CD2-CH2 4.39Å; L41-W192 HydrophobicContact CD2-CZ2 4.01Å
42L62.7Low67.5Low96 Ų9688 Ų8850%0.50348%0.482SS..SBendtrans-84.591.2167.7-69.5167.2000108.1W39W39-L42 HydrophobicContact CE3-CD1 3.91Å; W39-L42 HydrophobicContact CZ3-CD1 4.16Å
43S74.7Confident69.1Low30 Ų3084 Ų8421%0.2146%0.457CS..  trans-52.1131.7167.2-176.70000108.5L41 R45 V46 V177L41-S43 PolarHBondContact O-N 3.44Å; S43-R45 PolarHBondContact O-N 3.19Å; S43-R45 PolarHBondContact OG-N 2.87Å; S43-V46 PolarHBondContact O-N 3.45Å; S43-V177 WeakPolarHBondContact OG-CG1 3.43Å
44P83Confident70.6Confident62 Ų6282.9 Ų82.940%0.40346%0.456SS..THydrogen-bonded Turntrans-60-9.1177.323.9-33.7000112.6P57 L59P44-P57 HydrophobicContact CB-CB 4.33Å; P44-P57 WeakPolarHBondContact O-CB 3.32Å; P44-P57 WeakPolarHBondContact O-CG 3.35Å; P44-L59 HydrophobicContact CG-CD2 4.05Å
45R89.9Confident72.1Confident24 Ų2477 Ų779%0.09144%0.436CS..THydrogen-bonded Turntrans-89.1-1176.2-61179.4174.9-93.97.6114.1S43 F60 F136 F137 T139 V177 I195 T197S43-R45 PolarHBondContact O-N 3.19Å; S43-R45 PolarHBondContact OG-N 2.87Å; R45-F60 HydrophobicContact CG-CE2 4.3Å; R45-F60 HydrophobicContact CG-CZ 4.35Å; R45-F60 VanDerWaalsContact NH2-CZ 3.28Å; R45-F136 CarbonylContact O-C 3.32Å; R45-F136 WeakPolarHBondContact O-CA 3.47Å; R45-F137 HydrophobicContact CB-CB 4.1Å; R45-F137 HydrophobicContact CG-CB 4.37Å; R45-F137 PolarHBondContact NH1-O 2.92Å; R45-F137 PolarHBondContact O-N 2.98Å; R45-T139 PolarHBondContact NH1-OG1 3.22Å; R45-V177 HydrophobicContact CB-CG1 4.44Å; R45-I195 HydrophobicContact CB-CD1 4.04Å; R45-T197 PolarHBondContact NH2-O 3.18Å
46V91.3Very high74Confident15 Ų1570.1 Ų70.19%0.09140%0.401CS..EExtended strand (participates in β ladder)trans-123.7128.1176.5-172.60000109.4S43 Y135 F136 V177S43-V46 PolarHBondContact O-N 3.45Å; V46-Y135 WeakPolarHBondContact CA-O 3.29Å; V46-F136 HydrophobicContact CG1-CD1 4.37Å; V46-F136 HydrophobicContact CG1-CE1 4.04Å; V46-F136 HydrophobicContact CG2-CD1 3.84Å; V46-F136 HydrophobicContact CG2-CE1 4Å; V46-V177 HydrophobicContact CG2-CB 3.59Å; V46-V177 HydrophobicContact CG2-CG1 4.16Å; V46-V177 HydrophobicContact CG2-CG2 3.67Å
47V91Very high75.7Confident47 Ų4766.6 Ų66.629%0.28537%0.37SS..EExtended strand (participates in β ladder)trans-127.1133.6176.5165.80000109.6P53 W103 Y135V47-P53 HydrophobicContact CB-CG 4.22Å; V47-P53 HydrophobicContact CG1-CG 3.97Å; V47-W103 HydrophobicContact CB-CH2 4.07Å; V47-W103 HydrophobicContact CB-CZ3 4.11Å; V47-W103 HydrophobicContact CG2-CH2 3.54Å; V47-W103 HydrophobicContact CG2-CZ2 4.41Å; V47-W103 HydrophobicContact CG2-CZ3 4.06Å; V47-Y135 PolarHBondContact N-O 2.75Å; V47-Y135 PolarHBondContact O-N 3.02Å
48L89.3Confident77Confident54 Ų5468.4 Ų68.428%0.28338%0.375SS..EExtended strand (participates in β ladder)trans-97.1112.2166.5-54.9-178.4000108.2V124 L132 R133 Q134 W190L48-V124 HydrophobicContact CD2-CG2 4.01Å; L48-L132 HydrophobicContact CB-CB 4.41Å; L48-L132 HydrophobicContact CB-CD1 4.14Å; L48-R133 WeakPolarHBondContact CA-O 3.37Å; L48-Q134 HydrophobicContact CD2-CB 4.21Å; L48-Q134 HydrophobicContact CD2-CG 3.62Å; L48-W190 HydrophobicContact CD1-CH2 3.92Å
49S88.6Confident78.3Confident38 Ų3868.1 Ų68.127%0.26638%0.376SS..EExtended strand (participates in β ladder)trans-150.4159-176.7174.30000111.4G51 R133 Y135S49-G51 WeakPolarHBondContact CB-O 3.46Å; S49-G51 PolarHBondContact OG-N 3.11Å; S49-G51 PolarHBondContact OG-O 2.87Å; S49-R133 PolarHBondContact N-O 3.24Å; S49-R133 PolarHBondContact O-N 2.88Å; S49-Y135 WeakPolarHBondContact O-CE2 3.48Å
50R87.9Confident79.8Confident163 Ų16359.6 Ų59.662%0.61534%0.344SS*.SBendtrans-75.2-29.4173.7-65.2-179.2176125.61112.6S130 L132R50-S130 PolarHBondContact NE-OG 2.83Å; R50-S130 PolarHBondContact NH2-OG 2.84Å; R50-L132 HydrophobicContact CG-CD2 3.68Å
51G86.6Confident81Confident37 Ų3753.6 Ų53.638%0.38131%0.311SS..SBendtrans-126.5157179.200000111.8S49 Y135S49-G51 WeakPolarHBondContact CB-O 3.46Å; S49-G51 PolarHBondContact OG-N 3.11Å; S49-G51 PolarHBondContact OG-O 2.87Å; G51-Y135 VanDerWaalsContact O-CE2 3.27Å; G51-Y135 WeakPolarHBondContact O-CE2 3.45Å
52T86.3Confident82Confident81 Ų8155.7 Ų55.750%0.49732%0.322SS..  trans-58.1130.4175.6-51.20000109.8A54 W103 T105 Y135T52-A54 PolarHBondContact O-N 2.88Å; T52-W103 HydrophobicContact CG2-CB 4.28Å; T52-T105 HydrophobicContact CG2-CG2 3.74Å; T52-Y135 PolarHBondContact N-OH 2.9Å
53P86.8Confident82.2Confident29 Ų2956.2 Ų56.219%0.18832%0.322CS..  trans-62.3137.3178.3-19.731.4000111.5V47 G55 W103 Y135V47-P53 HydrophobicContact CB-CG 4.22Å; V47-P53 HydrophobicContact CG1-CG 3.97Å; P53-G55 VanDerWaalsContact C-N 3.31Å; P53-G55 PolarHBondContact O-N 3.2Å; P53-W103 HydrophobicContact CB-CD2 4.24Å; P53-W103 HydrophobicContact CB-CZ2 3.82Å; P53-W103 HydrophobicContact CG-CD2 3.93Å; P53-W103 HydrophobicContact CG-CE3 4.21Å; P53-W103 HydrophobicContact CG-CG 4.48Å; P53-W103 HydrophobicContact CG-CH2 4.16Å; P53-W103 HydrophobicContact CG-CZ2 3.88Å; P53-W103 HydrophobicContact CG-CZ3 4.31Å; P53-Y135 HydrophobicContact CG-CD2 4.36Å
54A81Confident81.5Confident79 Ų7956.4 Ų56.465%0.65333%0.326SS*.SBendtrans-73.3-17.7-171.700000114.5T52 A71 G72T52-A54 PolarHBondContact O-N 2.88Å; A54-A71 HydrophobicContact CB-CB 4.18Å; A54-A71 CarbonylContact O-C 3.3Å; A54-A71 VanDerWaalsContact O-C 3.3Å; A54-A71 WeakPolarHBondContact O-CB 3.47Å; A54-G72 PolarHBondContact O-N 2.97Å
55G81.2Confident80.3Confident20 Ų2056.7 Ų56.721%0.20634%0.34CS..SBendtrans-149.8169.4-176.700000112P53 W103P53-G55 VanDerWaalsContact C-N 3.31Å; P53-G55 PolarHBondContact O-N 3.2Å; G55-W103 PolarHBondContact O-NE1 3.41Å
56P84.8Confident78.7Confident17 Ų1757.7 Ų57.711%0.1135%0.349CS..SBendtrans-61.2158.6175.931.5-38.6000110.9L58 F60 L61 A75 F137P56-L58 PolarHBondContact O-N 2.81Å; P56-F60 HydrophobicContact CB-CB 4.27Å; P56-L61 HydrophobicContact CG-CD1 4.47Å; P56-L61 HydrophobicContact CG-CD2 3.52Å; P56-L61 HydrophobicContact CG-CG 3.87Å; P56-A75 HydrophobicContact CB-CB 3.66Å; P56-A75 HydrophobicContact CG-CB 3.88Å; P56-F137 HydrophobicContact CB-CE1 4.32Å; P56-F137 HydrophobicContact CB-CE2 3.76Å; P56-F137 HydrophobicContact CB-CZ 3.5Å
57P86.4Confident76.7Confident16 Ų1664.6 Ų64.610%0.10438%0.378CS..  trans-56.3142.3177.2-17.627.1000110.9P44 L59 F60 W103 F137P44-P57 HydrophobicContact CB-CB 4.33Å; P44-P57 WeakPolarHBondContact O-CB 3.32Å; P44-P57 WeakPolarHBondContact O-CG 3.35Å; P57-L59 PolarHBondContact O-N 2.84Å; P57-L59 VanDerWaalsContact O-N 3.08Å; P57-F60 HydrophobicContact CB-CD2 3.9Å; P57-F60 HydrophobicContact CB-CE2 4.4Å; P57-F60 HydrophobicContact CG-CD2 3.89Å; P57-F60 HydrophobicContact CG-CE2 4.17Å; P57-F60 WeakPolarHBondContact O-CB 3.43Å; P57-F60 PolarHBondContact O-N 2.94Å; P57-W103 HydrophobicContact CG-CH2 3.91Å; P57-W103 HydrophobicContact CG-CZ2 3.81Å; P57-F137 VanDerWaalsContact CD-CG 3.5Å; P57-F137 HydrophobicContact CG-CB 3.99Å; P57-F137 HydrophobicContact CG-CD1 3.91Å; P57-F137 HydrophobicContact CG-CD2 4.32Å; P57-F137 HydrophobicContact CG-CE1 4.5Å; P57-F137 HydrophobicContact CG-CG 3.8Å
58L78.1Confident74.7Confident121 Ų12166 Ų6663%0.63440%0.402SS*.Hα-helixtrans-51.8-40.1-172.1-66.5-179.7000113.2P56 F60 L61 L62P56-L58 PolarHBondContact O-N 2.81Å; L58-F60 PolarHBondContact O-N 2.79Å; L58-F60 VanDerWaalsContact O-N 3.15Å; L58-L61 HydrophobicContact CD2-CD1 4.17Å; L58-L61 WeakPolarHBondContact O-CA 3.4Å; L58-L61 WeakPolarHBondContact O-CB 3.41Å; L58-L61 PolarHBondContact O-N 2.88Å; L58-L62 HydrophobicContact CB-CD1 4.49Å; L58-L62 WeakPolarHBondContact O-CD1 3.33Å; L58-L62 PolarHBondContact O-N 3.25Å
59L77.6Confident73Confident89 Ų8969.3 Ų69.347%0.46642%0.416SS..Hα-helixtrans-52.5-37.8176.3-17663.2000112.6P44 P57 L62 E63P44-L59 HydrophobicContact CG-CD2 4.05Å; P57-L59 PolarHBondContact O-N 2.84Å; P57-L59 VanDerWaalsContact O-N 3.08Å; L59-L62 PolarHBondContact O-N 2.87Å; L59-E63 WeakPolarHBondContact O-CG 3.06Å; L59-E63 PolarHBondContact O-N 3.01Å
60F73.6Confident71.1Confident10 Ų1072.4 Ų72.44%0.04444%0.435CS..Hα-helixtrans-71.2-31.5177.8-73.1-99.9000112.8R45 P56 P57 L58 A64 R77 F137R45-F60 HydrophobicContact CG-CE2 4.3Å; R45-F60 HydrophobicContact CG-CZ 4.35Å; R45-F60 VanDerWaalsContact NH2-CZ 3.28Å; P56-F60 HydrophobicContact CB-CB 4.27Å; P57-F60 HydrophobicContact CB-CD2 3.9Å; P57-F60 HydrophobicContact CB-CE2 4.4Å; P57-F60 HydrophobicContact CG-CD2 3.89Å; P57-F60 HydrophobicContact CG-CE2 4.17Å; P57-F60 WeakPolarHBondContact O-CB 3.43Å; P57-F60 PolarHBondContact O-N 2.94Å; L58-F60 PolarHBondContact O-N 2.79Å; L58-F60 VanDerWaalsContact O-N 3.15Å; F60-A64 VanDerWaalsContact O-CB 3.25Å; F60-A64 WeakPolarHBondContact O-CB 3.2Å; F60-A64 PolarHBondContact O-N 3.16Å; F60-R77 VanDerWaalsContact CE1-NH2 3.35Å; F60-F137 AromaticContact CD1-CE1 3.82Å; F60-F137 HydrophobicContact CD1-CE1 3.82Å; F60-F137 HydrophobicContact CD2-CD1 4.3Å; F60-F137 HydrophobicContact CD2-CE1 4.14Å; F60-F137 HydrophobicContact CE1-CD1 4.3Å; F60-F137 AromaticContact CE1-CE1 3.92Å; F60-F137 HydrophobicContact CE1-CE1 3.92Å; F60-F137 HydrophobicContact CE2-CD1 4.08Å; F60-F137 HydrophobicContact CE2-CE1 4.26Å; F60-F137 AromaticContact CG-CE1 3.96Å; F60-F137 HydrophobicContact CG-CE1 3.96Å; F60-F137 HydrophobicContact CZ-CD1 4.11Å; F60-F137 HydrophobicContact CZ-CE1 4.18Å
61L71.1Confident69.2Low35 Ų3568.2 Ų68.218%0.18344%0.435CS..Hα-helixtrans-70.5-37.5175.1-64.4173.3000111.1P56 L58 A64 G65 T66P56-L61 HydrophobicContact CG-CD1 4.47Å; P56-L61 HydrophobicContact CG-CD2 3.52Å; P56-L61 HydrophobicContact CG-CG 3.87Å; L58-L61 HydrophobicContact CD2-CD1 4.17Å; L58-L61 WeakPolarHBondContact O-CA 3.4Å; L58-L61 WeakPolarHBondContact O-CB 3.41Å; L58-L61 PolarHBondContact O-N 2.88Å; L61-A64 PolarHBondContact O-N 2.78Å; L61-G65 PolarHBondContact O-N 3.22Å; L61-G65 VanDerWaalsContact O-N 3.12Å; L61-T66 PolarHBondContact O-N 2.93Å; L61-T66 VanDerWaalsContact O-N 3.08Å
62L70.7Confident67.3Low107 Ų10769.5 Ų69.556%0.5645%0.449SS*.Hα-helixtrans-66.6-46.9174.2-82.178.1000111.1L58 L59 A64 G65 F67L58-L62 HydrophobicContact CB-CD1 4.49Å; L58-L62 WeakPolarHBondContact O-CD1 3.33Å; L58-L62 PolarHBondContact O-N 3.25Å; L59-L62 PolarHBondContact O-N 2.87Å; L62-A64 VanDerWaalsContact C-N 3.26Å; L62-A64 PolarHBondContact O-N 3.4Å; L62-G65 PolarHBondContact O-N 2.72Å; L62-G65 VanDerWaalsContact O-N 3.13Å; L62-F67 HydrophobicContact CD1-CD2 3.96Å; L62-F67 HydrophobicContact CD1-CE2 4.27Å
63E66.8Low65.7Low106 Ų10672.6 Ų72.650%0.49545%0.451SS..Hα-helixtrans-58.7-37.1175.3-75.6179.8172.500112.4L59 G65 R77L59-E63 WeakPolarHBondContact O-CG 3.06Å; L59-E63 PolarHBondContact O-N 3.01Å; E63-G65 VanDerWaalsContact C-N 3.33Å; E63-R77 IonicContact OE2-NE 3Å; E63-R77 IonicContact OE2-NH2 3.87Å; E63-R77 PolarHBondContact OE2-NH2 2.96Å
64A60.7Low64.1Low34 Ų3475.1 Ų75.128%0.28147%0.468SS..Hα-helixtrans-81.2-11.1179.700000113.6F60 L61 L62 T66F60-A64 VanDerWaalsContact O-CB 3.25Å; F60-A64 WeakPolarHBondContact O-CB 3.2Å; F60-A64 PolarHBondContact O-N 3.16Å; L61-A64 PolarHBondContact O-N 2.78Å; L62-A64 VanDerWaalsContact C-N 3.26Å; L62-A64 PolarHBondContact O-N 3.4Å; A64-T66 HydrophobicContact CB-CG2 3.96Å; A64-T66 PolarHBondContact O-N 3.31Å
65G56Low62.9Low68 Ų6872.5 Ų72.570%0.70145%0.446SS*.THydrogen-bonded Turntrans64.619.5-17300000113.7L61 L62 E63L61-G65 PolarHBondContact O-N 3.22Å; L61-G65 VanDerWaalsContact O-N 3.12Å; L62-G65 PolarHBondContact O-N 2.72Å; L62-G65 VanDerWaalsContact O-N 3.13Å; E63-G65 VanDerWaalsContact C-N 3.33Å
66T57.2Low61.7Low45 Ų4573.2 Ų73.228%0.27645%0.445SS..  trans-10227.5-175.661.70000112.4L61 A64 G68 E69L61-T66 PolarHBondContact O-N 2.93Å; L61-T66 VanDerWaalsContact O-N 3.08Å; A64-T66 HydrophobicContact CB-CG2 3.96Å; A64-T66 PolarHBondContact O-N 3.31Å; T66-G68 PolarHBondContact O-N 3.12Å; T66-E69 PolarHBondContact O-N 2.86Å
67F49.4Very low60.2Low161 Ų16177.7 Ų77.771%0.70646%0.46SS*.THydrogen-bonded Turntrans-63.6104.6179.4-167.7-94.6000109.5L62L62-F67 HydrophobicContact CD1-CD2 3.96Å; L62-F67 HydrophobicContact CD1-CE2 4.27Å
68G49.9Very low58.5Low77 Ų7778.2 Ų78.279%0.79446%0.464SS*.THydrogen-bonded Turntrans121.9-6.9-176.900000115.9T66T66-G68 PolarHBondContact O-N 3.12Å
69E53.5Low57.4Low122 Ų12277.7 Ų77.757%0.5745%0.454SS*.SBendtrans-79.3148174.6-76.7-73104.800112.2T66 A71T66-E69 PolarHBondContact O-N 2.86Å; E69-A71 PolarHBondContact O-N 3.09Å
70P47.4Very low56Low104 Ų10480.1 Ų80.168%0.67546%0.457SS*.  trans-60.4133.8-172.421.1-31.2000113.2G72P70-G72 PolarHBondContact O-N 2.9Å
71A47.9Very low54.7Low74 Ų7483.8 Ų83.861%0.61250%0.497SS*.THydrogen-bonded Turntrans-64.8115.217600000110.1A54 E69A54-A71 HydrophobicContact CB-CB 4.18Å; A54-A71 CarbonylContact O-C 3.3Å; A54-A71 VanDerWaalsContact O-C 3.3Å; A54-A71 WeakPolarHBondContact O-CB 3.47Å; E69-A71 PolarHBondContact O-N 3.09Å
72G46.8Very low53.4Low65 Ų6584.1 Ų84.167%0.6751%0.505SS*.THydrogen-bonded Turntrans148.6-12.9178.400000114.9A54 P70A54-G72 PolarHBondContact O-N 2.97Å; P70-G72 PolarHBondContact O-N 2.9Å
73R53Low52.1Low145 Ų14582.5 Ų82.555%0.54750%0.502SS..SBendtrans-87.4133.7175-145.2165.9175-169.9-2.6109.9A75 E84R73-A75 PolarHBondContact O-N 3.4Å; R73-E84 IonicContact NH2-OE1 2.63Å; R73-E84 PolarHBondContact NH2-OE1 3.5Å
74P53.1Low51.3Low83 Ų8382.4 Ų82.454%0.53950%0.502SS..  trans-57.6131.1175.222.1-31.5000109.3N76 V100 S101P74-N76 PolarHBondContact O-N 2.89Å; P74-V100 HydrophobicContact CB-CG1 4.41Å; P74-S101 WeakPolarHBondContact CB-O 3.4Å
75A55.5Low50.6Low23 Ų2386.8 Ų86.819%0.1953%0.525CS..  trans-70.497.5178.400000108.7P56 R73 S101 F137P56-A75 HydrophobicContact CB-CB 3.66Å; P56-A75 HydrophobicContact CG-CB 3.88Å; R73-A75 PolarHBondContact O-N 3.4Å; A75-S101 WeakPolarHBondContact O-CB 3.3Å; A75-S101 PolarHBondContact O-N 2.87Å; A75-S101 PolarHBondContact O-OG 3.2Å; A75-F137 HydrophobicContact CB-CZ 3.96Å
76N55.8Low50.5Low36 Ų3684.6 Ų84.619%0.19350%0.501CS..  trans-90.8109.1170.9-172.7-8.9000108.2P74 S78 R79 A99P74-N76 PolarHBondContact O-N 2.89Å; N76-S78 VanDerWaalsContact CG-OG 3.31Å; N76-S78 PolarHBondContact ND2-OG 2.96Å; N76-S78 VanDerWaalsContact ND2-OG 3.14Å; N76-S78 PolarHBondContact O-N 3.34Å; N76-S78 WeakPolarHBondContact OD1-CB 3.3Å; N76-S78 PolarHBondContact OD1-N 3.48Å; N76-S78 PolarHBondContact OD1-OG 2.87Å; N76-R79 HydrophobicContact CB-CB 4.4Å; N76-R79 HydrophobicContact CB-CG 4.1Å; N76-R79 PolarHBondContact O-N 3.11Å; N76-R79 VanDerWaalsContact O-N 3.13Å; N76-A99 PolarHBondContact OD1-O 3.02Å
77R54.3Low50.4Low110 Ų11086.3 Ų86.342%0.41551%0.513SS..THydrogen-bonded Turntrans-56.4-17.7174.3-83.3-174.5172.7156.3-9.5113.3F60 E63 T197F60-R77 VanDerWaalsContact CE1-NH2 3.35Å; E63-R77 IonicContact OE2-NE 3Å; E63-R77 IonicContact OE2-NH2 3.87Å; E63-R77 PolarHBondContact OE2-NH2 2.96Å; R77-T197 PolarHBondContact NH1-O 2.99Å
78S51.3Low50.9Low28 Ų2881.6 Ų81.620%0.19650%0.504CS..THydrogen-bonded Turntrans-88.51.2179.779.80000115.2N76N76-S78 VanDerWaalsContact CG-OG 3.31Å; N76-S78 PolarHBondContact ND2-OG 2.96Å; N76-S78 VanDerWaalsContact ND2-OG 3.14Å; N76-S78 PolarHBondContact O-N 3.34Å; N76-S78 WeakPolarHBondContact OD1-CB 3.3Å; N76-S78 PolarHBondContact OD1-N 3.48Å; N76-S78 PolarHBondContact OD1-OG 2.87Å
79R53.2Low51.2Low110 Ų11083.2 Ų83.242%0.41550%0.503SS..  trans-109.763.9-173.8-72.8-174.6170-170.6-8.6113.2N76 G81 E84N76-R79 HydrophobicContact CB-CB 4.4Å; N76-R79 HydrophobicContact CB-CG 4.1Å; N76-R79 PolarHBondContact O-N 3.11Å; N76-R79 VanDerWaalsContact O-N 3.13Å; R79-G81 PolarHBondContact O-N 3.26Å; R79-G81 VanDerWaalsContact O-N 3.13Å; R79-E84 IonicContact CZ-OE1 3.37Å; R79-E84 IonicContact CZ-OE2 3.59Å; R79-E84 IonicContact NH1-OE1 2.96Å; R79-E84 PolarHBondContact NH1-OE1 2.75Å; R79-E84 IonicContact NH2-OE1 3.13Å; R79-E84 PolarHBondContact NH2-OE1 3Å; R79-E84 IonicContact NH2-OE2 3.38Å; R79-E84 PolarHBondContact NH2-OE2 2.85Å
80R49.2Very low51.3Low140 Ų14087.2 Ų87.253%0.52851%0.512SS..SBendtrans-74.196.7160.3-75.1-165.3-112.2-157-1.7109.2A82 E93R80-A82 PolarHBondContact O-N 2.95Å; R80-E93 IonicContact CZ-OE1 2.68Å; R80-E93 IonicContact CZ-OE2 3.76Å; R80-E93 IonicContact NE-OE2 3.54Å; R80-E93 IonicContact NH1-OE1 3.83Å; R80-E93 IonicContact NH2-OE1 2.7Å; R80-E93 IonicContact NH2-OE2 3.66Å; R80-E93 PolarHBondContact NH2-OE2 3.4Å
81G46Very low52Low87 Ų8785.7 Ų85.790%0.89749%0.493SS*.SBendtrans62.432.2148.400000119.9R79R79-G81 PolarHBondContact O-N 3.26Å; R79-G81 VanDerWaalsContact O-N 3.13Å
82A43.1Very low53.1Low41 Ų4185.2 Ų85.234%0.33950%0.495SS..  trans-135.4135.2174.300000113.7R80 E84 R91R80-A82 PolarHBondContact O-N 2.95Å; A82-E84 PolarHBondContact O-N 3.42Å; A82-R91 HydrophobicContact CB-CB 3.89Å; A82-R91 HydrophobicContact CB-CG 3.69Å
83S45.2Very low54.5Low73 Ų7388 Ų8851%0.5149%0.491SS..  trans-47.1136.4176.7-179.50000111.4T85 A86 R91S83-T85 PolarHBondContact O-N 3Å; S83-T85 PolarHBondContact OG-OG1 3.41Å; S83-A86 PolarHBondContact O-N 2.85Å; S83-R91 VanDerWaalsContact O-CZ 3.25Å; S83-R91 PolarHBondContact O-NH1 2.92Å
84E48.5Very low55.8Low105 Ų10585.3 Ų85.349%0.49149%0.487SS..THydrogen-bonded Turntrans-59.4-10-179.9-68.4-165.9-156.800113.7R73 R79 A82 R91R73-E84 IonicContact NH2-OE1 2.63Å; R73-E84 PolarHBondContact NH2-OE1 3.5Å; R79-E84 IonicContact CZ-OE1 3.37Å; R79-E84 IonicContact CZ-OE2 3.59Å; R79-E84 IonicContact NH1-OE1 2.96Å; R79-E84 PolarHBondContact NH1-OE1 2.75Å; R79-E84 IonicContact NH2-OE1 3.13Å; R79-E84 PolarHBondContact NH2-OE1 3Å; R79-E84 IonicContact NH2-OE2 3.38Å; R79-E84 PolarHBondContact NH2-OE2 2.85Å; A82-E84 PolarHBondContact O-N 3.42Å; E84-R91 VanDerWaalsContact CA-NH1 3.33Å; E84-R91 PolarHBondContact O-NH1 2.88Å; E84-R91 PolarHBondContact O-NH2 2.81Å
85T46.4Very low57.4Low125 Ų12582.9 Ų82.977%0.76747%0.474SS*.THydrogen-bonded Turntrans-109.9-3.1179.754.10000114.7S83S83-T85 PolarHBondContact O-N 3Å; S83-T85 PolarHBondContact OG-OG1 3.41Å
86A54.5Low59Low23 Ų2385.1 Ų85.119%0.1949%0.485CS..SBendtrans-73.1146.5-179.600000112.1S83 R91S83-A86 PolarHBondContact O-N 2.85Å; A86-R91 HydrophobicContact CB-CG 4.26Å; A86-R91 PolarHBondContact O-NE 2.98Å; A86-R91 PolarHBondContact O-NH2 3.29Å
87P55.2Low60.7Low80 Ų8083.8 Ų83.852%0.51948%0.479SS..  trans-61.2146.8171.524.5-32.5000111.1S89 R90P87-S89 PolarHBondContact O-N 2.83Å; P87-R90 PolarHBondContact O-N 2.94Å
88A58.1Low62.3Low63 Ų6379.9 Ų79.952%0.52147%0.466SS..G310 helixtrans-53.5-30.5-175.200000113.8R90 R91 L94A88-R90 PolarHBondContact O-N 3.4Å; A88-R91 PolarHBondContact O-N 2.75Å; A88-R91 VanDerWaalsContact O-N 3.17Å; A88-L94 HydrophobicContact CB-CD1 4.3Å
89S56.7Low64Low110 Ų11079 Ų7977%0.76946%0.46SS*.G310 helixtrans-62.5-18.8176.955.90000114.7P87P87-S89 PolarHBondContact O-N 2.83Å
90R56.6Low65.7Low206 Ų20676.9 Ų76.978%0.77746%0.459SS*.G310 helixtrans-110.76.2178.3-63.1-172.6-179-126.32.2113.3P87 A88P87-R90 PolarHBondContact O-N 2.94Å; A88-R90 PolarHBondContact O-N 3.4Å
91R61.2Low67.6Low73 Ų7370.3 Ų70.328%0.27544%0.435SS..SBendtrans-91.33.6-174.9-72.4-162.9-166.6-143.16.8115.8A82 S83 E84 A86 A88 L94A82-R91 HydrophobicContact CB-CB 3.89Å; A82-R91 HydrophobicContact CB-CG 3.69Å; S83-R91 VanDerWaalsContact O-CZ 3.25Å; S83-R91 PolarHBondContact O-NH1 2.92Å; E84-R91 VanDerWaalsContact CA-NH1 3.33Å; E84-R91 PolarHBondContact O-NH1 2.88Å; E84-R91 PolarHBondContact O-NH2 2.81Å; A86-R91 HydrophobicContact CB-CG 4.26Å; A86-R91 PolarHBondContact O-NE 2.98Å; A86-R91 PolarHBondContact O-NH2 3.29Å; A88-R91 PolarHBondContact O-N 2.75Å; A88-R91 VanDerWaalsContact O-N 3.17Å; R91-L94 HydrophobicContact CB-CD2 4.35Å
92G71.3Confident69.8Low63 Ų6367.5 Ų67.565%0.64941%0.406SS*.  trans71.3-142.7-175.100000111.8
93E75.8Confident72.1Confident125 Ų12567.7 Ų67.758%0.58440%0.398SS*.PPolyproline II helixtrans-75.3131.5-177.8-63.1170.8-149.200111.9R80R80-E93 IonicContact CZ-OE1 2.68Å; R80-E93 IonicContact CZ-OE2 3.76Å; R80-E93 IonicContact NE-OE2 3.54Å; R80-E93 IonicContact NH1-OE1 3.83Å; R80-E93 IonicContact NH2-OE1 2.7Å; R80-E93 IonicContact NH2-OE2 3.66Å; R80-E93 PolarHBondContact NH2-OE2 3.4Å
94L81.1Confident74.5Confident87 Ų8765.2 Ų65.246%0.45538%0.38SS..PPolyproline II helixtrans-102.8133.9174-62.2176.9000110.2A88 R91A88-L94 HydrophobicContact CB-CD1 4.3Å; R91-L94 HydrophobicContact CB-CD2 4.35Å
95A85.8Confident76.5Confident32 Ų3263.8 Ų63.826%0.26438%0.378SS..PPolyproline II helixtrans-65.5148.1173.800000111C97 R159A95-C97 VanDerWaalsContact C-N 3.33Å; A95-C97 WeakPolarHBondContact CB-O 3.26Å; A95-R159 WeakPolarHBondContact O-CD 3.04Å; A95-R159 PolarHBondContact O-NH1 3.48Å
96V90.4Very high78.6Confident70 Ų7063.5 Ų63.542%0.42437%0.372SS..SBendtrans-69.3-36.2174.1173.90000111.1G152 C158 R159 C201V96-G152 WeakPolarHBondContact O-CA 3.42Å; V96-C158 HydrophobicContact CG1-CB 3.6Å; V96-R159 WeakPolarHBondContact O-CB 3.48Å; V96-R159 PolarHBondContact O-N 3.13Å; V96-C201 HydrophobicContact CG1-CB 3.61Å
97C90.4Very high80.5Confident9 Ų964.8 Ų64.86%0.06137%0.372CS..SBendtrans-128.6131.5172.6-64.20000109A95 G152 C170 C199A95-C97 VanDerWaalsContact C-N 3.33Å; A95-C97 WeakPolarHBondContact CB-O 3.26Å; C97-G152 CarbonylContact C-O 3.44Å; C97-G152 WeakPolarHBondContact CA-O 3.4Å; C97-C170 VanDerWaalsContact CA-SG 3.6Å; C97-C170 HydrophobicContact CB-CB 3.74Å; C97-C170 WeakPolarHBondContact CB-SG 3.37Å; C97-C170 VanDerWaalsContact SG-CA 3.51Å; C97-C170 WeakPolarHBondContact SG-CB 3.31Å; C97-C170 CovalentContact SG-SG 2.03Å; C97-C170 PolarHBondContact SG-SG 2.84Å; C97-C199 HydrophobicContact CB-CB 4.3Å; C97-C199 VanDerWaalsContact CB-SG 3.54Å
98D88.1Confident82.4Confident27 Ų2770.3 Ų70.314%0.14438%0.382CS..  trans-75.3137.1176.1-65.3-34.1000109.7K142 G152 R159D98-K142 HydrophobicContact CB-CB 3.91Å; D98-K142 HydrophobicContact CB-CD 4.05Å; D98-K142 PolarHBondContact O-N 3.1Å; D98-G152 PolarHBondContact N-O 2.87Å; D98-R159 IonicContact OD1-CZ 3.93Å; D98-R159 IonicContact OD1-NH1 3.27Å; D98-R159 PolarHBondContact OD1-NH1 2.77Å; D98-R159 IonicContact OD1-NH2 3.38Å; D98-R159 PolarHBondContact OD1-NH2 3.32Å; D98-R159 IonicContact OD2-CZ 2.82Å; D98-R159 IonicContact OD2-NH1 3.03Å; D98-R159 IonicContact OD2-NH2 3.32Å; D98-R159 PolarHBondContact OD2-NH2 3.21Å
99A87.6Confident84.2Confident9 Ų970.8 Ų70.87%0.07438%0.379CS..EExtended strand (participates in β ladder)trans-131.6151.3-176.300000111N76 T139 R140 C199N76-A99 PolarHBondContact OD1-O 3.02Å; A99-T139 HydrophobicContact CB-CG2 3.86Å; A99-R140 CarbonylContact C-O 3.59Å; A99-R140 VanDerWaalsContact CA-O 3.27Å; A99-R140 WeakPolarHBondContact CA-O 3.49Å; A99-C199 HydrophobicContact CB-CB 3.82Å
100V88.3Confident86.1Confident67 Ų6765.9 Ų65.941%0.40635%0.345SS..EExtended strand (participates in β ladder)trans-123.6129.8173.7-175.80000108P74 T139 R140 K142P74-V100 HydrophobicContact CB-CG1 4.41Å; V100-T139 CarbonylContact O-C 3.58Å; V100-T139 WeakPolarHBondContact O-CA 3.22Å; V100-R140 PolarHBondContact N-O 2.88Å; V100-R140 PolarHBondContact O-N 2.88Å; V100-K142 HydrophobicContact CG2-CB 3.99Å; V100-K142 HydrophobicContact CG2-CG 4.04Å
101S89.8Confident88Confident2 Ų257.3 Ų57.31%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-114.9145.8174.5-37.20000111.4P74 A75 F137 E138 T139P74-S101 WeakPolarHBondContact CB-O 3.4Å; A75-S101 WeakPolarHBondContact O-CB 3.3Å; A75-S101 PolarHBondContact O-N 2.87Å; A75-S101 PolarHBondContact O-OG 3.2Å; S101-F137 VanDerWaalsContact CB-CZ 3.46Å; S101-E138 CarbonylContact C-O 3.59Å; S101-E138 WeakPolarHBondContact CA-O 3.42Å; S101-T139 WeakPolarHBondContact CB-OG1 3.36Å; S101-T139 VanDerWaalsContact OG-CG2 3.29Å; S101-T139 WeakPolarHBondContact OG-CG2 3.38Å; S101-T139 PolarHBondContact OG-OG1 3.31Å
102G91.6Very high89.7Confident28 Ų2854 Ų5429%0.28930%0.304SS..EExtended strand (participates in β ladder)trans-168.6166.8179.100000112.9E138G102-E138 PolarHBondContact N-O 2.9Å; G102-E138 PolarHBondContact O-N 2.75Å
103W92.4Very high90.8Very high44 Ų4456 Ų5617%0.16730%0.299CS..EExtended strand (participates in β ladder)trans-78.3124.3172.8-67.8107.2000110.5V47 T52 P53 G55 P57 F136 F137V47-W103 HydrophobicContact CB-CH2 4.07Å; V47-W103 HydrophobicContact CB-CZ3 4.11Å; V47-W103 HydrophobicContact CG2-CH2 3.54Å; V47-W103 HydrophobicContact CG2-CZ2 4.41Å; V47-W103 HydrophobicContact CG2-CZ3 4.06Å; T52-W103 HydrophobicContact CG2-CB 4.28Å; P53-W103 HydrophobicContact CB-CD2 4.24Å; P53-W103 HydrophobicContact CB-CZ2 3.82Å; P53-W103 HydrophobicContact CG-CD2 3.93Å; P53-W103 HydrophobicContact CG-CE3 4.21Å; P53-W103 HydrophobicContact CG-CG 4.48Å; P53-W103 HydrophobicContact CG-CH2 4.16Å; P53-W103 HydrophobicContact CG-CZ2 3.88Å; P53-W103 HydrophobicContact CG-CZ3 4.31Å; G55-W103 PolarHBondContact O-NE1 3.41Å; P57-W103 HydrophobicContact CG-CH2 3.91Å; P57-W103 HydrophobicContact CG-CZ2 3.81Å; W103-F136 CarbonylContact C-O 3.48Å; W103-F136 WeakPolarHBondContact CA-O 3.27Å; W103-F137 HydrophobicContact CD2-CB 4.29Å; W103-F137 AromaticContact CD2-CD2 3.8Å; W103-F137 HydrophobicContact CD2-CD2 3.8Å; W103-F137 AromaticContact CE2-CD2 3.72Å; W103-F137 HydrophobicContact CE3-CB 3.9Å; W103-F137 HydrophobicContact CE3-CD2 4.27Å; W103-F137 HydrophobicContact CG-CD2 4.1Å; W103-F137 HydrophobicContact CH2-CB 3.98Å; W103-F137 HydrophobicContact CZ2-CB 4.36Å; W103-F137 HydrophobicContact CZ2-CD2 4.14Å; W103-F137 HydrophobicContact CZ3-CB 3.74Å; W103-F137 AromaticContact NE1-CD2 3.93Å
104V93.8Very high91.6Very high22 Ų2259.7 Ų59.713%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-92.5121.7170.2-177.20000107.9R107 F136 E138V104-R107 HydrophobicContact CG1-CB 3.91Å; V104-F136 HydrophobicContact CB-CB 4.45Å; V104-F136 PolarHBondContact N-O 3.14Å; V104-F136 PolarHBondContact O-N 2.84Å; V104-E138 HydrophobicContact CG2-CB 3.89Å; V104-E138 HydrophobicContact CG2-CG 3.69Å
105T91.7Very high92.3Very high74 Ų7458 Ų5845%0.45431%0.31SS..  trans-108.5-12.8-172.157.80000113.2T52 Y135T52-T105 HydrophobicContact CG2-CG2 3.74Å; T105-Y135 HydrophobicContact CG2-CD1 3.73Å; T105-Y135 HydrophobicContact CG2-CE1 3.76Å
106D91Very high92.8Very high120 Ų12061 Ų6164%0.64232%0.315SS*.  trans-124.921.6-168.264.4-24.4000112.6R108D106-R108 PolarHBondContact O-N 3.47Å
107R93.7Very high93.1Very high50 Ų5064.1 Ų64.119%0.18933%0.325CS..  trans-69.1115.6177.8177.8160.3-105.6-137.6-1.2110.6V104 V120 F136 E138 R194V104-R107 HydrophobicContact CG1-CB 3.91Å; R107-V120 HydrophobicContact CG-CB 4.39Å; R107-V120 HydrophobicContact CG-CG2 4.14Å; R107-F136 HydrophobicContact CB-CD2 4.03Å; R107-F136 HydrophobicContact CB-CE2 4.25Å; R107-F136 HydrophobicContact CG-CD2 4.4Å; R107-F136 HydrophobicContact CG-CE2 4.42Å; R107-E138 IonicContact CZ-OE1 3.93Å; R107-E138 VanDerWaalsContact CZ-OE1 3.24Å; R107-E138 IonicContact NE-OE1 3.87Å; R107-E138 PolarHBondContact NE-OE1 2.82Å; R107-E138 VanDerWaalsContact NE-OE1 3.11Å; R107-E138 IonicContact NH1-OE1 3.48Å; R107-E138 IonicContact NH2-OE1 3.24Å; R107-E138 PolarHBondContact NH2-OE1 3.24Å; R107-R194 PolarHBondContact NH1-O 3.34Å
108R94.4Very high93.5Very high195 Ų19564 Ų6474%0.73632%0.324SS*.  trans-106.5-27.1-179.9-60.4-171.4-176.9-167.1-0.6114.3D106 E119 V120D106-R108 PolarHBondContact O-N 3.47Å; R108-E119 CarbonylContact O-C 3.5Å; R108-E119 WeakPolarHBondContact O-CA 2.91Å; R108-V120 PolarHBondContact O-N 3.24Å
109T96.1Very high93.9Very high74 Ų7468.6 Ų68.645%0.45434%0.344SS..EExtended strand (participates in β ladder)trans-130.9151.6-179.961.50000110.2V118T109-V118 WeakPolarHBondContact CA-O 3.42Å
110A96.7Very high94.3Very high6 Ų668.4 Ų68.45%0.0534%0.342CS..EExtended strand (participates in β ladder)trans-151.9174.3171.200000109.6E117 V118 V120 I193A110-E117 WeakPolarHBondContact O-CA 3.05Å; A110-V118 PolarHBondContact N-O 3.5Å; A110-V118 WeakPolarHBondContact O-CG2 3.42Å; A110-V118 PolarHBondContact O-N 3.34Å; A110-V120 HydrophobicContact CB-CG2 3.65Å; A110-I193 HydrophobicContact CB-CB 3.72Å; A110-I193 HydrophobicContact CB-CD1 3.68Å; A110-I193 HydrophobicContact CB-CG1 4.27Å; A110-I193 HydrophobicContact CB-CG2 3.89Å
111V97.4Very high94.5Very high26 Ų2667 Ų6716%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-114.3129.3175.3-177.70000109.5G115 R116 I193 R194V111-G115 WeakPolarHBondContact CG1-O 3.4Å; V111-R116 WeakPolarHBondContact CA-O 3.29Å; V111-I193 WeakPolarHBondContact O-CA 3.36Å; V111-R194 HydrophobicContact CB-CG 4.25Å; V111-R194 VanDerWaalsContact CG2-NH2 3.28Å; V111-R194 PolarHBondContact O-N 3.48Å
112D95.5Very high94.2Very high5 Ų569.2 Ų69.23%0.02736%0.356CS..BIsolated β-bridgetrans-74.7172-178.478.94.7000112.2R114 G115 R116 V118 W192D112-R114 PolarHBondContact O-N 3.43Å; D112-R114 VanDerWaalsContact O-N 3.09Å; D112-R114 VanDerWaalsContact OD1-C 3.29Å; D112-R114 VanDerWaalsContact OD1-CA 3.26Å; D112-R114 WeakPolarHBondContact OD1-CA 3.49Å; D112-R114 VanDerWaalsContact OD1-CB 3.32Å; D112-R114 WeakPolarHBondContact OD1-CB 3.34Å; D112-R114 PolarHBondContact OD1-N 3.02Å; D112-G115 PolarHBondContact O-N 2.85Å; D112-G115 PolarHBondContact OD1-N 3.37Å; D112-G115 VanDerWaalsContact OD1-N 3.12Å; D112-R116 PolarHBondContact N-O 3.15Å; D112-R116 PolarHBondContact OD1-N 2.86Å; D112-R116 IonicContact OD1-NE 3.11Å; D112-R116 IonicContact OD2-CZ 3.44Å; D112-R116 IonicContact OD2-NE 2.83Å; D112-R116 PolarHBondContact OD2-NE 2.8Å; D112-R116 VanDerWaalsContact OD2-NE 3.11Å; D112-R116 IonicContact OD2-NH2 3.42Å; D112-R116 PolarHBondContact OD2-NH2 3.45Å; D112-V118 HydrophobicContact CB-CG1 4.07Å; D112-V118 HydrophobicContact CB-CG2 4.31Å; D112-W192 CarbonylContact C-O 3.4Å; D112-W192 WeakPolarHBondContact CA-O 3.36Å
113L94.8Very high94Very high105 Ų10572.8 Ų72.855%0.5537%0.365SS..THydrogen-bonded Turntrans-57.1-21.5176.3-170.367.7000113.7G115 Y176 W192L113-G115 VanDerWaalsContact C-N 3.31Å; L113-Y176 HydrophobicContact CB-CD1 4.48Å; L113-Y176 HydrophobicContact CB-CE1 4.18Å; L113-Y176 HydrophobicContact CD1-CD1 3.99Å; L113-Y176 HydrophobicContact CD1-CD2 3.8Å; L113-Y176 HydrophobicContact CD1-CE1 3.77Å; L113-Y176 HydrophobicContact CD1-CE2 3.56Å; L113-Y176 HydrophobicContact CD1-CG 4Å; L113-W192 HydrophobicContact CB-CB 4.13Å; L113-W192 PolarHBondContact N-O 2.63Å
114R94.1Very high93.6Very high201 Ų20170.9 Ų70.976%0.75836%0.359SS*.THydrogen-bonded Turntrans-91.46.5178-56.1-177.7-178.9-164-0.3112.2D112 R116D112-R114 PolarHBondContact O-N 3.43Å; D112-R114 VanDerWaalsContact O-N 3.09Å; D112-R114 VanDerWaalsContact OD1-C 3.29Å; D112-R114 VanDerWaalsContact OD1-CA 3.26Å; D112-R114 WeakPolarHBondContact OD1-CA 3.49Å; D112-R114 VanDerWaalsContact OD1-CB 3.32Å; D112-R114 WeakPolarHBondContact OD1-CB 3.34Å; D112-R114 PolarHBondContact OD1-N 3.02Å; R114-R116 VanDerWaalsContact C-N 3.28Å; R114-R116 HydrophobicContact CB-CG 4.35Å; R114-R116 PolarHBondContact O-N 2.91Å
115G95.2Very high93.1Very high51 Ų5173.7 Ų73.753%0.52638%0.377SS..SBendtrans76.512.1-179.300000114.2V111 D112 L113V111-G115 WeakPolarHBondContact CG1-O 3.4Å; D112-G115 PolarHBondContact O-N 2.85Å; D112-G115 PolarHBondContact OD1-N 3.37Å; D112-G115 VanDerWaalsContact OD1-N 3.12Å; L113-G115 VanDerWaalsContact C-N 3.31Å
116R96.1Very high92.5Very high96 Ų9671.6 Ų71.636%0.36237%0.367SS..  trans-95.3140.2-179-57.4178.2-59.5165.58.4111V111 D112 R114V111-R116 WeakPolarHBondContact CA-O 3.29Å; D112-R116 PolarHBondContact N-O 3.15Å; D112-R116 PolarHBondContact OD1-N 2.86Å; D112-R116 IonicContact OD1-NE 3.11Å; D112-R116 IonicContact OD2-CZ 3.44Å; D112-R116 IonicContact OD2-NE 2.83Å; D112-R116 PolarHBondContact OD2-NE 2.8Å; D112-R116 VanDerWaalsContact OD2-NE 3.11Å; D112-R116 IonicContact OD2-NH2 3.42Å; D112-R116 PolarHBondContact OD2-NH2 3.45Å; R114-R116 VanDerWaalsContact C-N 3.28Å; R114-R116 HydrophobicContact CB-CG 4.35Å; R114-R116 PolarHBondContact O-N 2.91Å
117E97.3Very high91.7Very high136 Ų13670.4 Ų70.464%0.63637%0.374SS*.EExtended strand (participates in β ladder)trans-67.9134171.7-167.5171.5168.600110.5A110A110-E117 WeakPolarHBondContact O-CA 3.05Å
118V97.2Very high90.4Very high5 Ų572.5 Ų72.53%0.0341%0.411CS..EExtended strand (participates in β ladder)trans-135.8147.2-179.8-65.10000109.6T109 A110 D112 T181 I193T109-V118 WeakPolarHBondContact CA-O 3.42Å; A110-V118 PolarHBondContact N-O 3.5Å; A110-V118 WeakPolarHBondContact O-CG2 3.42Å; A110-V118 PolarHBondContact O-N 3.34Å; D112-V118 HydrophobicContact CB-CG1 4.07Å; D112-V118 HydrophobicContact CB-CG2 4.31Å; V118-T181 HydrophobicContact CG2-CG2 3.97Å; V118-I193 HydrophobicContact CG2-CG2 3.88Å
119E97.4Very high89.4Confident124 Ų12465.2 Ų65.258%0.57940%0.397SS*.EExtended strand (participates in β ladder)trans-82.7129.3175.4-171.7-179.4177.600109.4R108 T181 A182R108-E119 CarbonylContact O-C 3.5Å; R108-E119 WeakPolarHBondContact O-CA 2.91Å; E119-T181 CarbonylContact O-C 3.56Å; E119-T181 WeakPolarHBondContact O-CA 3.5Å; E119-T181 WeakPolarHBondContact O-CB 3.4Å; E119-A182 HydrophobicContact CB-CB 4.37Å; E119-A182 PolarHBondContact N-O 3.18Å; E119-A182 PolarHBondContact O-N 2.94Å
120V96.1Very high88.7Confident5 Ų564.6 Ų64.63%0.0340%0.395CS..EExtended strand (participates in β ladder)trans-88.9121175.4-179.90000108.1R107 R108 A110 G122 F136 T181 I193R107-V120 HydrophobicContact CG-CB 4.39Å; R107-V120 HydrophobicContact CG-CG2 4.14Å; R108-V120 PolarHBondContact O-N 3.24Å; A110-V120 HydrophobicContact CB-CG2 3.65Å; V120-G122 PolarHBondContact O-N 3.28Å; V120-F136 HydrophobicContact CG1-CE2 3.76Å; V120-F136 HydrophobicContact CG1-CZ 3.77Å; V120-T181 HydrophobicContact CG2-CG2 4.24Å; V120-I193 HydrophobicContact CG2-CD1 4.03Å
121L92.3Very high88.2Confident37 Ų3767.2 Ų67.219%0.19441%0.412CS..PPolyproline II helixtrans-69.1125.8-179-79.877.9000109.6E123 Q134 L180 T181 A182 V188L121-E123 PolarHBondContact O-N 3.29Å; L121-Q134 PolarHBondContact O-NE2 3.37Å; L121-L180 HydrophobicContact CD1-CG 4.46Å; L121-L180 HydrophobicContact CD2-CD2 3.95Å; L121-L180 HydrophobicContact CD2-CG 4.29Å; L121-L180 PolarHBondContact N-O 3.25Å; L121-L180 VanDerWaalsContact N-O 3.16Å; L121-T181 VanDerWaalsContact CD1-CA 3.42Å; L121-A182 HydrophobicContact CD1-CB 4.01Å; L121-A182 VanDerWaalsContact CD1-N 3.26Å; L121-V188 HydrophobicContact CD1-CG1 4.28Å; L121-V188 HydrophobicContact CD2-CG1 3.82Å; L121-V188 HydrophobicContact CD2-CG2 4.25Å
122G84.4Confident87.9Confident50 Ų5067.8 Ų67.852%0.51541%0.414SS..SBendtrans-65.9-28.617500000112.9V120 R133V120-G122 PolarHBondContact O-N 3.28Å; G122-R133 WeakPolarHBondContact O-CA 2.83Å; G122-R133 WeakPolarHBondContact O-CG 2.99Å
123E85.6Confident87.6Confident102 Ų10273.7 Ų73.748%0.47744%0.436SS..EExtended strand (participates in β ladder)trans-127.3135-178-67-172.817800111.6L121 P131 L132L121-E123 PolarHBondContact O-N 3.29Å; E123-P131 HydrophobicContact CB-CB 4Å; E123-P131 HydrophobicContact CG-CB 4.27Å; E123-P131 WeakPolarHBondContact OE2-CG 3.26Å; E123-L132 CarbonylContact C-O 3.59Å; E123-L132 VanDerWaalsContact CA-O 3.3Å; E123-L132 WeakPolarHBondContact CA-O 3.26Å
124V85.4Confident87.4Confident5 Ų569.1 Ų69.13%0.0341%0.412CS..EExtended strand (participates in β ladder)trans-108.8123.9176.7178.90000107.7L48 A126 L132 Q134 L180L48-V124 HydrophobicContact CD2-CG2 4.01Å; V124-A126 PolarHBondContact O-N 2.03Å; V124-L132 HydrophobicContact CB-CB 4.45Å; V124-L132 PolarHBondContact N-O 3.43Å; V124-L132 PolarHBondContact O-N 3.45Å; V124-Q134 HydrophobicContact CG2-CG 3.39Å; V124-L180 HydrophobicContact CB-CD2 4.28Å; V124-L180 HydrophobicContact CG1-CD2 4.06Å; V124-L180 HydrophobicContact CG2-CB 4.2Å; V124-L180 HydrophobicContact CG2-CD2 3.94Å
125P82.3Confident87.4Confident81 Ų8159.7 Ų59.753%0.52638%0.376SS..  trans-65.1123.3175.226.2-31.8000109.6L31L31-P125 HydrophobicContact CD1-CG 4.44Å
126A79.4Confident87.3Confident29 Ų2957.3 Ų57.324%0.2435%0.352CS..  trans-94.1138.7173.500000109.8V124 G128 G129 L132V124-A126 PolarHBondContact O-N 2.03Å; A126-G128 PolarHBondContact O-N 3.49Å; A126-G129 PolarHBondContact O-N 3.49Å; A126-L132 HydrophobicContact CB-CD1 4.17Å; A126-L132 HydrophobicContact CB-CG 4.11Å
127A74.4Confident87.2Confident96 Ų9652.9 Ų52.979%0.79334%0.335SS*.THydrogen-bonded Turntrans-60.3110.6175.600000109.8G129A127-G129 PolarHBondContact O-N 2.85Å
128G66.3Low87Confident93 Ų9346.6 Ų46.696%0.95931%0.306SS*.THydrogen-bonded Turntrans73.622.6173.900000116A126A126-G128 PolarHBondContact O-N 3.49Å
129G74.3Confident86.8Confident43 Ų4346.4 Ų46.444%0.44330%0.304SS..SBendtrans-151.7-178.3-178.300000114.9A126 A127A126-G129 PolarHBondContact O-N 3.49Å; A127-G129 PolarHBondContact O-N 2.85Å
130S80.6Confident86.5Confident60 Ų6046.3 Ų46.342%0.4230%0.298SS..SBendtrans-63148.5174.553.70000112.2R50R50-S130 PolarHBondContact NE-OG 2.83Å; R50-S130 PolarHBondContact NH2-OG 2.84Å
131P86.9Confident86.2Confident62 Ų6247.3 Ų47.340%0.40331%0.306SS..PPolyproline II helixtrans-57143.2-18021.8-32.2000111.9E123E123-P131 HydrophobicContact CB-CB 4Å; E123-P131 HydrophobicContact CG-CB 4.27Å; E123-P131 WeakPolarHBondContact OE2-CG 3.26Å
132L89.4Confident86Confident38 Ų3850.5 Ų50.520%0.19932%0.318CS..EExtended strand (participates in β ladder)trans-98.5151.5174.3-61.5175.4000109.8L48 R50 E123 V124 A126L48-L132 HydrophobicContact CB-CB 4.41Å; L48-L132 HydrophobicContact CB-CD1 4.14Å; R50-L132 HydrophobicContact CG-CD2 3.68Å; E123-L132 CarbonylContact C-O 3.59Å; E123-L132 VanDerWaalsContact CA-O 3.3Å; E123-L132 WeakPolarHBondContact CA-O 3.26Å; V124-L132 HydrophobicContact CB-CB 4.45Å; V124-L132 PolarHBondContact N-O 3.43Å; V124-L132 PolarHBondContact O-N 3.45Å; A126-L132 HydrophobicContact CB-CD1 4.17Å; A126-L132 HydrophobicContact CB-CG 4.11Å
133R90.1Very high85.7Confident128 Ų12852 Ų5248%0.48333%0.325SS..EExtended strand (participates in β ladder)trans-101.6149172.3-65.9-172.1174.3177.8-1111.2L48 S49 G122 Y135L48-R133 WeakPolarHBondContact CA-O 3.37Å; S49-R133 PolarHBondContact N-O 3.24Å; S49-R133 PolarHBondContact O-N 2.88Å; G122-R133 WeakPolarHBondContact O-CA 2.83Å; G122-R133 WeakPolarHBondContact O-CG 2.99Å; R133-Y135 HydrophobicContact CB-CE1 4.33Å; R133-Y135 HydrophobicContact CB-CE2 3.8Å
134Q91.6Very high84.8Confident9 Ų949.4 Ų49.44%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-92.3121.4174-50.6-169.684.400109.6L48 L121 V124 F136 L180L48-Q134 HydrophobicContact CD2-CB 4.21Å; L48-Q134 HydrophobicContact CD2-CG 3.62Å; L121-Q134 PolarHBondContact O-NE2 3.37Å; V124-Q134 HydrophobicContact CG2-CG 3.39Å; Q134-F136 HydrophobicContact CB-CE2 3.94Å; Q134-F136 HydrophobicContact CB-CZ 3.92Å; Q134-L180 PolarHBondContact NE2-O 3.24Å
135Y92.4Very high83.4Confident3 Ų354.9 Ų54.91%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-113.1137175-58.4-74.3000110V46 V47 S49 G51 T52 P53 T105 R133V46-Y135 WeakPolarHBondContact CA-O 3.29Å; V47-Y135 PolarHBondContact N-O 2.75Å; V47-Y135 PolarHBondContact O-N 3.02Å; S49-Y135 WeakPolarHBondContact O-CE2 3.48Å; G51-Y135 VanDerWaalsContact O-CE2 3.27Å; G51-Y135 WeakPolarHBondContact O-CE2 3.45Å; T52-Y135 PolarHBondContact N-OH 2.9Å; P53-Y135 HydrophobicContact CG-CD2 4.36Å; T105-Y135 HydrophobicContact CG2-CD1 3.73Å; T105-Y135 HydrophobicContact CG2-CE1 3.76Å; R133-Y135 HydrophobicContact CB-CE1 4.33Å; R133-Y135 HydrophobicContact CB-CE2 3.8Å
136F94.3Very high82Confident2 Ų254.9 Ų54.91%0.00935%0.352CS..EExtended strand (participates in β ladder)trans-115.3126-178.2-57.5-84.3000110.4R45 V46 W103 V104 R107 V120 Q134 E138 V177 A179 I193 I195R45-F136 CarbonylContact O-C 3.32Å; R45-F136 WeakPolarHBondContact O-CA 3.47Å; V46-F136 HydrophobicContact CG1-CD1 4.37Å; V46-F136 HydrophobicContact CG1-CE1 4.04Å; V46-F136 HydrophobicContact CG2-CD1 3.84Å; V46-F136 HydrophobicContact CG2-CE1 4Å; W103-F136 CarbonylContact C-O 3.48Å; W103-F136 WeakPolarHBondContact CA-O 3.27Å; V104-F136 HydrophobicContact CB-CB 4.45Å; V104-F136 PolarHBondContact N-O 3.14Å; V104-F136 PolarHBondContact O-N 2.84Å; R107-F136 HydrophobicContact CB-CD2 4.03Å; R107-F136 HydrophobicContact CB-CE2 4.25Å; R107-F136 HydrophobicContact CG-CD2 4.4Å; R107-F136 HydrophobicContact CG-CE2 4.42Å; V120-F136 HydrophobicContact CG1-CE2 3.76Å; V120-F136 HydrophobicContact CG1-CZ 3.77Å; Q134-F136 HydrophobicContact CB-CE2 3.94Å; Q134-F136 HydrophobicContact CB-CZ 3.92Å; F136-E138 HydrophobicContact CB-CG 4.3Å; F136-E138 PolarHBondContact O-N 3.5Å; F136-V177 HydrophobicContact CD1-CG2 4.14Å; F136-V177 HydrophobicContact CE1-CG2 4.29Å; F136-A179 HydrophobicContact CE1-CB 3.82Å; F136-A179 HydrophobicContact CZ-CB 3.84Å; F136-I193 HydrophobicContact CE1-CD1 3.86Å; F136-I193 HydrophobicContact CZ-CD1 4.1Å; F136-I195 HydrophobicContact CD1-CG2 4.22Å
137F93.4Very high80.7Confident3 Ų363.6 Ų63.61%0.01339%0.388CS..EExtended strand (participates in β ladder)trans-89.892.1175.3-164.9-105.4000110.2R45 P56 P57 F60 A75 S101 W103R45-F137 HydrophobicContact CB-CB 4.1Å; R45-F137 HydrophobicContact CG-CB 4.37Å; R45-F137 PolarHBondContact NH1-O 2.92Å; R45-F137 PolarHBondContact O-N 2.98Å; P56-F137 HydrophobicContact CB-CE1 4.32Å; P56-F137 HydrophobicContact CB-CE2 3.76Å; P56-F137 HydrophobicContact CB-CZ 3.5Å; P57-F137 VanDerWaalsContact CD-CG 3.5Å; P57-F137 HydrophobicContact CG-CB 3.99Å; P57-F137 HydrophobicContact CG-CD1 3.91Å; P57-F137 HydrophobicContact CG-CD2 4.32Å; P57-F137 HydrophobicContact CG-CE1 4.5Å; P57-F137 HydrophobicContact CG-CG 3.8Å; F60-F137 AromaticContact CD1-CE1 3.82Å; F60-F137 HydrophobicContact CD1-CE1 3.82Å; F60-F137 HydrophobicContact CD2-CD1 4.3Å; F60-F137 HydrophobicContact CD2-CE1 4.14Å; F60-F137 HydrophobicContact CE1-CD1 4.3Å; F60-F137 AromaticContact CE1-CE1 3.92Å; F60-F137 HydrophobicContact CE1-CE1 3.92Å; F60-F137 HydrophobicContact CE2-CD1 4.08Å; F60-F137 HydrophobicContact CE2-CE1 4.26Å; F60-F137 AromaticContact CG-CE1 3.96Å; F60-F137 HydrophobicContact CG-CE1 3.96Å; F60-F137 HydrophobicContact CZ-CD1 4.11Å; F60-F137 HydrophobicContact CZ-CE1 4.18Å; A75-F137 HydrophobicContact CB-CZ 3.96Å; S101-F137 VanDerWaalsContact CB-CZ 3.46Å; W103-F137 HydrophobicContact CD2-CB 4.29Å; W103-F137 AromaticContact CD2-CD2 3.8Å; W103-F137 HydrophobicContact CD2-CD2 3.8Å; W103-F137 AromaticContact CE2-CD2 3.72Å; W103-F137 HydrophobicContact CE3-CB 3.9Å; W103-F137 HydrophobicContact CE3-CD2 4.27Å; W103-F137 HydrophobicContact CG-CD2 4.1Å; W103-F137 HydrophobicContact CH2-CB 3.98Å; W103-F137 HydrophobicContact CZ2-CB 4.36Å; W103-F137 HydrophobicContact CZ2-CD2 4.14Å; W103-F137 HydrophobicContact CZ3-CB 3.74Å; W103-F137 AromaticContact NE1-CD2 3.93Å
138E93.9Very high79.5Confident4 Ų467.5 Ų67.52%0.01939%0.39CS..EExtended strand (participates in β ladder)trans-93.2149.2-178.2-62.5-168.5-170.600111.3S101 G102 V104 R107 F136 R140 I195 D196S101-E138 CarbonylContact C-O 3.59Å; S101-E138 WeakPolarHBondContact CA-O 3.42Å; G102-E138 PolarHBondContact N-O 2.9Å; G102-E138 PolarHBondContact O-N 2.75Å; V104-E138 HydrophobicContact CG2-CB 3.89Å; V104-E138 HydrophobicContact CG2-CG 3.69Å; R107-E138 IonicContact CZ-OE1 3.93Å; R107-E138 VanDerWaalsContact CZ-OE1 3.24Å; R107-E138 IonicContact NE-OE1 3.87Å; R107-E138 PolarHBondContact NE-OE1 2.82Å; R107-E138 VanDerWaalsContact NE-OE1 3.11Å; R107-E138 IonicContact NH1-OE1 3.48Å; R107-E138 IonicContact NH2-OE1 3.24Å; R107-E138 PolarHBondContact NH2-OE1 3.24Å; F136-E138 HydrophobicContact CB-CG 4.3Å; F136-E138 PolarHBondContact O-N 3.5Å; E138-R140 IonicContact OE2-CZ 2.83Å; E138-R140 IonicContact OE2-NE 3.65Å; E138-R140 PolarHBondContact OE2-NE 2.88Å; E138-R140 VanDerWaalsContact OE2-NE 3.13Å; E138-R140 IonicContact OE2-NH2 3.11Å; E138-R140 PolarHBondContact OE2-NH2 2.99Å; E138-I195 HydrophobicContact CG-CB 4.19Å; E138-D196 CarbonylContact C-O 3.58Å; E138-D196 VanDerWaalsContact CA-O 3.26Å; E138-D196 WeakPolarHBondContact CA-O 3.35Å
139T91.7Very high78.9Confident0 Ų065.1 Ų65.10%037%0.365CS..EExtended strand (participates in β ladder)trans-125.8114.5172.6-55.10000108.6R45 A99 V100 S101 D196 T197 A198R45-T139 PolarHBondContact NH1-OG1 3.22Å; A99-T139 HydrophobicContact CB-CG2 3.86Å; V100-T139 CarbonylContact O-C 3.58Å; V100-T139 WeakPolarHBondContact O-CA 3.22Å; S101-T139 WeakPolarHBondContact CB-OG1 3.36Å; S101-T139 VanDerWaalsContact OG-CG2 3.29Å; S101-T139 WeakPolarHBondContact OG-CG2 3.38Å; S101-T139 PolarHBondContact OG-OG1 3.31Å; T139-D196 PolarHBondContact N-O 3.31Å; T139-D196 CarbonylContact O-C 3.56Å; T139-D196 WeakPolarHBondContact O-CB 3.2Å; T139-T197 WeakPolarHBondContact CB-O 3.41Å; T139-A198 PolarHBondContact O-N 3.08Å
140R91.4Very high78.2Confident122 Ų12264 Ų6446%0.4635%0.353SS..EExtended strand (participates in β ladder)trans-111.6160.1-178.3-59.2-173.2-175.3171.52.2110.9A99 V100 E138 D196A99-R140 CarbonylContact C-O 3.59Å; A99-R140 VanDerWaalsContact CA-O 3.27Å; A99-R140 WeakPolarHBondContact CA-O 3.49Å; V100-R140 PolarHBondContact N-O 2.88Å; V100-R140 PolarHBondContact O-N 2.88Å; E138-R140 IonicContact OE2-CZ 2.83Å; E138-R140 IonicContact OE2-NE 3.65Å; E138-R140 PolarHBondContact OE2-NE 2.88Å; E138-R140 VanDerWaalsContact OE2-NE 3.13Å; E138-R140 IonicContact OE2-NH2 3.11Å; E138-R140 PolarHBondContact OE2-NH2 2.99Å; R140-D196 HydrophobicContact CG-CB 4.08Å; R140-D196 IonicContact NE-OD2 3.81Å
141C90.2Very high77.2Confident27 Ų2764.3 Ų64.318%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-63.8136168.9-64.40000109.8A143 K171 A172 C199C141-A143 PolarHBondContact O-N 3.04Å; C141-K171 PolarHBondContact SG-O 3.48Å; C141-A172 PolarHBondContact SG-N 3.01Å; C141-C199 WeakPolarHBondContact CA-SG 3.22Å; C141-C199 HydrophobicContact CB-CB 3.9Å; C141-C199 WeakPolarHBondContact CB-SG 3.39Å; C141-C199 WeakPolarHBondContact SG-CB 3.37Å; C141-C199 CovalentContact SG-SG 2.03Å; C141-C199 PolarHBondContact SG-SG 2.72Å
142K87.4Confident76.1Confident103 Ų10361.4 Ų61.445%0.44834%0.335SS..PPolyproline II helixtrans-66.4122.2173.9-174.9-177.9174.4-168.30108D98 V100 G153 G154D98-K142 HydrophobicContact CB-CB 3.91Å; D98-K142 HydrophobicContact CB-CD 4.05Å; D98-K142 PolarHBondContact O-N 3.1Å; V100-K142 HydrophobicContact CG2-CB 3.99Å; V100-K142 HydrophobicContact CG2-CG 4.04Å; K142-G153 CarbonylContact O-C 3.58Å; K142-G154 PolarHBondContact O-N 2.81Å
143A79.3Confident75.1Confident81 Ų8159.8 Ų59.867%0.66933%0.327SS*.BIsolated β-bridgetrans-60.2140.3176.700000110.8C141 S145C141-A143 PolarHBondContact O-N 3.04Å; A143-S145 PolarHBondContact O-N 3.04Å
144D66.9Low73.7Confident48 Ų4854.9 Ų54.926%0.25732%0.317SS..PPolyproline II helixtrans-69.5121.9170.4-93-42000109.4T146 G149 G150 G153D144-T146 VanDerWaalsContact C-N 3.25Å; D144-G149 VanDerWaalsContact OD2-CA 3.31Å; D144-G149 WeakPolarHBondContact OD2-CA 3.35Å; D144-G150 PolarHBondContact OD1-N 3Å; D144-G150 PolarHBondContact OD2-N 3.34Å; D144-G153 WeakPolarHBondContact OD1-CA 3Å; D144-G153 WeakPolarHBondContact OD2-CA 3.45Å
145S54.8Low72.2Confident121 Ų12157 Ų5785%0.84634%0.342SS*.SBendtrans-85.12.4176.755.30000113.1A143A143-S145 PolarHBondContact O-N 3.04Å
146T54Low71.2Confident81 Ų8157.3 Ų57.350%0.49735%0.345SS..SBendtrans-122.5131.8-177.424.50000109.4D144 E148 G149D144-T146 VanDerWaalsContact C-N 3.25Å; T146-E148 WeakPolarHBondContact CB-O 3.03Å; T146-E148 CarbonylContact O-C 3.44Å; T146-E148 VanDerWaalsContact O-C 3.32Å; T146-E148 PolarHBondContact O-N 3.45Å; T146-E148 PolarHBondContact OG1-O 2.76Å; T146-G149 PolarHBondContact O-N 3.41Å
147E51.3Low70.7Confident211 Ų21158.3 Ų58.399%0.98636%0.356SS*.SBendtrans-61.5-22.6179.3-60.7-160.9162.300112.8
148E50.2Low70.6Confident179 Ų17958.2 Ų58.284%0.83636%0.356SS*.SBendtrans-92.397.2157.3-72.7-175.6144.600108.5T146 G150T146-E148 WeakPolarHBondContact CB-O 3.03Å; T146-E148 CarbonylContact O-C 3.44Å; T146-E148 VanDerWaalsContact O-C 3.32Å; T146-E148 PolarHBondContact O-N 3.45Å; T146-E148 PolarHBondContact OG1-O 2.76Å; E148-G150 PolarHBondContact O-N 3.35Å; E148-G150 VanDerWaalsContact O-N 3.1Å
149G53.3Low70.3Confident42 Ų4261 Ų6143%0.43337%0.366SS..PPolyproline II helixtrans-47.9117.2-17700000112.5D144 T146D144-G149 VanDerWaalsContact OD2-CA 3.31Å; D144-G149 WeakPolarHBondContact OD2-CA 3.35Å; T146-G149 PolarHBondContact O-N 3.41Å
150G58.4Low70.2Confident20 Ų2065 Ų6521%0.20641%0.407CS..PPolyproline II helixtrans-70.3151.1-179.500000110.6D144 E148 G152 G153D144-G150 PolarHBondContact OD1-N 3Å; D144-G150 PolarHBondContact OD2-N 3.34Å; E148-G150 PolarHBondContact O-N 3.35Å; E148-G150 VanDerWaalsContact O-N 3.1Å; G150-G152 PolarHBondContact O-N 2.97Å; G150-G152 VanDerWaalsContact O-N 3.08Å; G150-G153 PolarHBondContact O-N 3.43Å; G150-G153 VanDerWaalsContact O-N 3.15Å
151P60.7Low70.3Confident67 Ų6760.7 Ų60.744%0.43539%0.394SS..THydrogen-bonded Turntrans-60.6119.1179.921.6-30.3000111.7G157 R159P151-G157 WeakPolarHBondContact CA-O 3.44Å; P151-R159 PolarHBondContact O-NH2 3.23Å; P151-R159 VanDerWaalsContact O-NH2 3.14Å
152G62.9Low70.4Confident0 Ų062.7 Ų62.70%040%0.403CS..THydrogen-bonded Turntrans970.117900000115.7V96 C97 D98 G150 G157V96-G152 WeakPolarHBondContact O-CA 3.42Å; C97-G152 CarbonylContact C-O 3.44Å; C97-G152 WeakPolarHBondContact CA-O 3.4Å; D98-G152 PolarHBondContact N-O 2.87Å; G150-G152 PolarHBondContact O-N 2.97Å; G150-G152 VanDerWaalsContact O-N 3.08Å; G152-G157 PolarHBondContact N-O 2.02Å
153G69.6Low70.5Confident4 Ų465 Ų654%0.04141%0.409CS..SBendtrans-79.916516900000113.4K142 D144 G150 G155 G156 C170K142-G153 CarbonylContact O-C 3.58Å; D144-G153 WeakPolarHBondContact OD1-CA 3Å; D144-G153 WeakPolarHBondContact OD2-CA 3.45Å; G150-G153 PolarHBondContact O-N 3.43Å; G150-G153 VanDerWaalsContact O-N 3.15Å; G153-G155 PolarHBondContact O-N 2.88Å; G153-G156 PolarHBondContact O-N 2.94Å; G153-G156 VanDerWaalsContact O-N 3.14Å; G153-C170 WeakPolarHBondContact O-CB 3.42Å
154G60.1Low71Confident25 Ų2570.9 Ų70.926%0.25841%0.414SS..BIsolated β-bridgetrans-66.7124.9-178.400000111.6K142 G156K142-G154 PolarHBondContact O-N 2.81Å; G154-G156 PolarHBondContact O-N 2.79Å
155G60.4Low72.2Confident55 Ų5573.3 Ų73.357%0.56742%0.424SS*.THydrogen-bonded Turntrans82.2-14.7-172.900000114.6G153 C170G153-G155 PolarHBondContact O-N 2.88Å; G155-C170 PolarHBondContact N-O 2.97Å
156G70.8Confident74Confident8 Ų872.6 Ų72.68%0.08240%0.403CS..SBendtrans-83.6168.2173.900000113.9G153 G154 C170G153-G156 PolarHBondContact O-N 2.94Å; G153-G156 VanDerWaalsContact O-N 3.14Å; G154-G156 PolarHBondContact O-N 2.79Å; G156-C170 PolarHBondContact O-N 2.98Å
157G84.3Confident75.8Confident23 Ų2372.6 Ų72.624%0.23740%0.402CS..PPolyproline II helixtrans-67.3137.7174.300000112P151 G152 S168P151-G157 WeakPolarHBondContact CA-O 3.44Å; G152-G157 PolarHBondContact N-O 2.02Å; G157-S168 WeakPolarHBondContact CA-O 3.37Å
158C90.8Very high77.8Confident1 Ų163.4 Ų63.41%0.00736%0.361CS..PPolyproline II helixtrans-65.4144.6-177.5-55.50000113.1V96 G160 V161 S168 C201V96-C158 HydrophobicContact CG1-CB 3.6Å; C158-G160 PolarHBondContact O-N 2.99Å; C158-V161 HydrophobicContact CB-CB 4.38Å; C158-V161 HydrophobicContact CB-CG2 3.58Å; C158-S168 PolarHBondContact N-OG 2.75Å; C158-C201 HydrophobicContact CB-CB 3.85Å; C158-C201 WeakPolarHBondContact CB-SG 3.06Å; C158-C201 WeakPolarHBondContact SG-CA 3.49Å; C158-C201 WeakPolarHBondContact SG-CB 3.25Å; C158-C201 CovalentContact SG-SG 2.02Å; C158-C201 PolarHBondContact SG-SG 2.67Å
159R89Confident79.7Confident64 Ų6458.5 Ų58.524%0.24234%0.338CS..THydrogen-bonded Turntrans-65.8130.8177.8-176.3180-59.7136.94.6111.2A95 V96 D98 P151 V161A95-R159 WeakPolarHBondContact O-CD 3.04Å; A95-R159 PolarHBondContact O-NH1 3.48Å; V96-R159 WeakPolarHBondContact O-CB 3.48Å; V96-R159 PolarHBondContact O-N 3.13Å; D98-R159 IonicContact OD1-CZ 3.93Å; D98-R159 IonicContact OD1-NH1 3.27Å; D98-R159 PolarHBondContact OD1-NH1 2.77Å; D98-R159 IonicContact OD1-NH2 3.38Å; D98-R159 PolarHBondContact OD1-NH2 3.32Å; D98-R159 IonicContact OD2-CZ 2.82Å; D98-R159 IonicContact OD2-NH1 3.03Å; D98-R159 IonicContact OD2-NH2 3.32Å; D98-R159 PolarHBondContact OD2-NH2 3.21Å; P151-R159 PolarHBondContact O-NH2 3.23Å; P151-R159 VanDerWaalsContact O-NH2 3.14Å; R159-V161 VanDerWaalsContact C-N 3.28Å; R159-V161 PolarHBondContact O-N 2.03Å
160G89.5Confident81.5Confident84 Ų8456.7 Ų56.787%0.86632%0.319SS*.THydrogen-bonded Turntrans79.70.7175.700000115.5C158C158-G160 PolarHBondContact O-N 2.99Å
161V92.3Very high83.1Confident30 Ų3060 Ų6018%0.18233%0.328CS..  trans-781351751750000110.8C158 R159 R163 W166 L203C158-V161 HydrophobicContact CB-CB 4.38Å; C158-V161 HydrophobicContact CB-CG2 3.58Å; R159-V161 VanDerWaalsContact C-N 3.28Å; R159-V161 PolarHBondContact O-N 2.03Å; V161-R163 PolarHBondContact O-N 2.91Å; V161-R163 VanDerWaalsContact O-N 3.07Å; V161-W166 HydrophobicContact CG1-CB 3.71Å; V161-W166 HydrophobicContact CG1-CG 4.36Å; V161-L203 HydrophobicContact CB-CD2 4.4Å; V161-L203 HydrophobicContact CG1-CD2 3.69Å; V161-L203 HydrophobicContact CG2-CD2 3.79Å
162D92.3Very high84.6Confident70 Ų7059 Ų5937%0.37433%0.325SS..  trans-71.8100.9174.8-175.92.1000111.7R164 H165 W166D162-R164 PolarHBondContact O-N 3.37Å; D162-R164 VanDerWaalsContact OD1-CB 3.22Å; D162-R164 WeakPolarHBondContact OD1-CB 3.49Å; D162-R164 WeakPolarHBondContact OD1-CG 3.45Å; D162-R164 PolarHBondContact OD1-N 2.77Å; D162-H165 PolarHBondContact O-N 3.37Å; D162-H165 IonicContact OD2-CE1 3.96Å; D162-H165 PolarHBondContact OD2-CE1 3.15Å; D162-H165 IonicContact OD2-CG 2.79Å; D162-H165 IonicContact OD2-ND1 3.27Å; D162-H165 PolarHBondContact OD2-ND1 2.98Å; D162-W166 PolarHBondContact O-N 3.08Å
163R88.9Confident86.1Confident150 Ų15064.8 Ų64.857%0.56635%0.35SS*.THydrogen-bonded Turntrans-66.1-13.1180-59.5-176.4-178.9126.5-6.4114V161 H165 W166 R206V161-R163 PolarHBondContact O-N 2.91Å; V161-R163 VanDerWaalsContact O-N 3.07Å; R163-H165 VanDerWaalsContact C-N 3.34Å; R163-W166 WeakPolarHBondContact CA-O 3.26Å; R163-R206 PolarHBondContact O-NH1 2.91Å
164R90.1Very high87.3Confident206 Ų20669 Ų6978%0.77737%0.369SS*.THydrogen-bonded Turntrans-69.2-36.4174.7-61.7178.8178.7-170.20.4111.1D162D162-R164 PolarHBondContact O-N 3.37Å; D162-R164 VanDerWaalsContact OD1-CB 3.22Å; D162-R164 WeakPolarHBondContact OD1-CB 3.49Å; D162-R164 WeakPolarHBondContact OD1-CG 3.45Å; D162-R164 PolarHBondContact OD1-N 2.77Å
165H91.8Very high88.9Confident99 Ų9970.6 Ų70.646%0.45838%0.376SS..THydrogen-bonded Turntrans-109.3-23.2-174.2-57.5107.2000113.1D162 R163 R206D162-H165 PolarHBondContact O-N 3.37Å; D162-H165 IonicContact OD2-CE1 3.96Å; D162-H165 PolarHBondContact OD2-CE1 3.15Å; D162-H165 IonicContact OD2-CG 2.79Å; D162-H165 IonicContact OD2-ND1 3.27Å; D162-H165 PolarHBondContact OD2-ND1 2.98Å; R163-H165 VanDerWaalsContact C-N 3.34Å; H165-R206 WeakPolarHBondContact O-CB 3.5Å; H165-R206 PolarHBondContact O-N 3.01Å
166W93.2Very high90.5Very high106 Ų10672.1 Ų72.140%0.40237%0.365SS..EExtended strand (participates in β ladder)trans-128.9138.8-171.2-56.395.8000112.7V161 D162 R163 L203 L204V161-W166 HydrophobicContact CG1-CB 3.71Å; V161-W166 HydrophobicContact CG1-CG 4.36Å; D162-W166 PolarHBondContact O-N 3.08Å; R163-W166 WeakPolarHBondContact CA-O 3.26Å; W166-L203 HydrophobicContact CB-CD2 4.45Å; W166-L203 HydrophobicContact CE3-CB 3.91Å; W166-L203 HydrophobicContact CZ3-CB 4.39Å; W166-L204 CarbonylContact C-O 3.58Å; W166-L204 WeakPolarHBondContact CA-O 3.4Å
167V92.1Very high91.7Very high81 Ų8171.8 Ų71.849%0.49136%0.361SS..EExtended strand (participates in β ladder)trans-92.7129.2158.4-177.90000106.8L203 L204 R206V167-L203 CarbonylContact O-C 3.55Å; V167-L204 HydrophobicContact CB-CB 4.32Å; V167-L204 PolarHBondContact N-O 3.02Å; V167-L204 PolarHBondContact O-N 3.5Å; V167-R206 HydrophobicContact CG2-CG 3.83Å
168S92.7Very high92.1Very high17 Ų1774 Ų7412%0.11936%0.363CS..EExtended strand (participates in β ladder)trans-130.3150.7-175.766.10000112.4G157 C158 T202G157-S168 WeakPolarHBondContact CA-O 3.37Å; C158-S168 PolarHBondContact N-OG 2.75Å; S168-T202 CarbonylContact C-O 3.55Å; S168-T202 WeakPolarHBondContact CA-O 3.36Å
169E91.4Very high92.2Very high76 Ų7674 Ų7436%0.35536%0.362SS..EExtended strand (participates in β ladder)trans-149.2131.7-177.8-167.3-173.5158.800110.8K171 T202E169-K171 HydrophobicContact CG-CG 4.31Å; E169-K171 WeakPolarHBondContact OE1-CE 3.27Å; E169-K171 IonicContact OE1-NZ 3.84Å; E169-K171 WeakPolarHBondContact OE2-CE 3.17Å; E169-K171 IonicContact OE2-NZ 3.83Å; E169-K171 PolarHBondContact OE2-NZ 3.27Å; E169-T202 PolarHBondContact N-O 3.14Å; E169-T202 PolarHBondContact O-N 2.96Å; E169-T202 PolarHBondContact O-OG1 2.71Å
170C91.4Very high92.4Very high4 Ų471.6 Ų71.63%0.02735%0.354CS..EExtended strand (participates in β ladder)trans-80.5117.1173.3-690000111.3C97 G153 G155 G156 V200C97-C170 VanDerWaalsContact CA-SG 3.6Å; C97-C170 HydrophobicContact CB-CB 3.74Å; C97-C170 WeakPolarHBondContact CB-SG 3.37Å; C97-C170 VanDerWaalsContact SG-CA 3.51Å; C97-C170 WeakPolarHBondContact SG-CB 3.31Å; C97-C170 CovalentContact SG-SG 2.03Å; C97-C170 PolarHBondContact SG-SG 2.84Å; G153-C170 WeakPolarHBondContact O-CB 3.42Å; G155-C170 PolarHBondContact N-O 2.97Å; G156-C170 PolarHBondContact O-N 2.98Å; C170-V200 CarbonylContact C-O 3.57Å; C170-V200 WeakPolarHBondContact CA-O 3.01Å
171K91.8Very high92.7Very high90 Ų9067.6 Ų67.639%0.39131%0.313SS..EExtended strand (participates in β ladder)trans-123.7148.9-178-66.4-168.5176.7173.70112.8C141 E169 K173 C199 V200 T202C141-K171 PolarHBondContact SG-O 3.48Å; E169-K171 HydrophobicContact CG-CG 4.31Å; E169-K171 WeakPolarHBondContact OE1-CE 3.27Å; E169-K171 IonicContact OE1-NZ 3.84Å; E169-K171 WeakPolarHBondContact OE2-CE 3.17Å; E169-K171 IonicContact OE2-NZ 3.83Å; E169-K171 PolarHBondContact OE2-NZ 3.27Å; K171-K173 PolarHBondContact O-N 2.87Å; K171-C199 WeakPolarHBondContact O-CA 3.48Å; K171-V200 PolarHBondContact N-O 3.08Å; K171-V200 PolarHBondContact O-N 2.79Å; K171-T202 HydrophobicContact CB-CG2 4.41Å; K171-T202 HydrophobicContact CD-CG2 4.2Å; K171-T202 HydrophobicContact CG-CG2 4.4Å
172A92.2Very high92.9Very high46 Ų4666.6 Ų66.638%0.3831%0.308SS..EExtended strand (participates in β ladder)trans-68.5128.3171.400000110.2C141 D196 A198C141-A172 PolarHBondContact SG-N 3.01Å; A172-D196 HydrophobicContact CB-CB 4.4Å; A172-A198 CarbonylContact C-O 3.59Å; A172-A198 WeakPolarHBondContact CA-O 3.38Å
173K94.4Very high93Very high121 Ų12163.9 Ų63.953%0.52629%0.293SS..EExtended strand (participates in β ladder)trans-94.7127.1170.4-178-174.9178.6-178.40109.2K171 T197 A198 V200K171-K173 PolarHBondContact O-N 2.87Å; K173-T197 PolarHBondContact O-N 2.88Å; K173-T197 PolarHBondContact O-OG1 3.29Å; K173-A198 HydrophobicContact CB-CB 4.27Å; K173-A198 PolarHBondContact N-O 3.14Å; K173-A198 PolarHBondContact O-N 3Å; K173-V200 HydrophobicContact CB-CG1 3.91Å; K173-V200 HydrophobicContact CB-CG2 4.04Å; K173-V200 HydrophobicContact CD-CG1 4.1Å
174Q95.2Very high93.2Very high94 Ų9461.2 Ų61.244%0.43930%0.304SS..EExtended strand (participates in β ladder)trans-94.9149.8179-61.3-171.5-36.100111.8R194 I195 D196Q174-R194 HydrophobicContact CB-CB 4.38Å; Q174-R194 VanDerWaalsContact OE1-CD 3.24Å; Q174-I195 VanDerWaalsContact CA-O 3.26Å; Q174-I195 WeakPolarHBondContact CA-O 3.43Å; Q174-D196 VanDerWaalsContact CG-OD1 3.26Å; Q174-D196 WeakPolarHBondContact CG-OD1 3.17Å; Q174-D196 PolarHBondContact NE2-OD1 2.82Å
175S93.4Very high93.4Very high57 Ų5757.2 Ų57.240%0.39929%0.294SS..EExtended strand (participates in β ladder)trans-139.2159.7169.2-169.70000109.5R194 I195S175-R194 WeakPolarHBondContact O-CA 3.29Å; S175-I195 PolarHBondContact N-O 3.22Å; S175-I195 PolarHBondContact O-N 3.13Å
176Y94.3Very high93.4Very high87 Ų8755 Ų5534%0.34130%0.298SS..EExtended strand (participates in β ladder)trans-86.6138.7177.2-68.7-79.8000111.8L113 W192 I193 R194L113-Y176 HydrophobicContact CB-CD1 4.48Å; L113-Y176 HydrophobicContact CB-CE1 4.18Å; L113-Y176 HydrophobicContact CD1-CD1 3.99Å; L113-Y176 HydrophobicContact CD1-CD2 3.8Å; L113-Y176 HydrophobicContact CD1-CE1 3.77Å; L113-Y176 HydrophobicContact CD1-CE2 3.56Å; L113-Y176 HydrophobicContact CD1-CG 4Å; Y176-W192 HydrophobicContact CD1-CB 4.2Å; Y176-I193 CarbonylContact C-O 3.54Å; Y176-I193 VanDerWaalsContact CA-O 3.29Å; Y176-I193 WeakPolarHBondContact CA-O 3.44Å; Y176-R194 HydrophobicContact CD1-CB 4.19Å; Y176-R194 HydrophobicContact CE1-CB 3.9Å
177V93.9Very high93.4Very high1 Ų156.6 Ų56.61%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-132.4156.6170.5-61.90000110.1S43 R45 V46 F136 W192 I193 I195S43-V177 WeakPolarHBondContact OG-CG1 3.43Å; R45-V177 HydrophobicContact CB-CG1 4.44Å; V46-V177 HydrophobicContact CG2-CB 3.59Å; V46-V177 HydrophobicContact CG2-CG1 4.16Å; V46-V177 HydrophobicContact CG2-CG2 3.67Å; F136-V177 HydrophobicContact CD1-CG2 4.14Å; F136-V177 HydrophobicContact CE1-CG2 4.29Å; V177-W192 VanDerWaalsContact C-CE3 3.46Å; V177-W192 WeakPolarHBondContact O-CA 3.45Å; V177-I193 HydrophobicContact CG2-CD1 4.49Å; V177-I193 HydrophobicContact CG2-CG1 3.93Å; V177-I193 PolarHBondContact N-O 3.13Å; V177-I193 PolarHBondContact O-N 3.12Å; V177-I195 HydrophobicContact CB-CD1 4.34Å; V177-I195 HydrophobicContact CB-CG1 4.46Å; V177-I195 HydrophobicContact CG1-CD1 3.5Å; V177-I195 HydrophobicContact CG1-CG1 3.77Å; V177-I195 HydrophobicContact CG2-CB 4.47Å; V177-I195 HydrophobicContact CG2-CD1 3.89Å; V177-I195 HydrophobicContact CG2-CG1 3.86Å; V177-I195 HydrophobicContact CG2-CG2 3.8Å
178R93Very high93.5Very high71 Ų7156.8 Ų56.827%0.26831%0.306SS..EExtended strand (participates in β ladder)trans-85.3130.3179.4-156.3152-163.4-173.75.1110.3E38 W190 R191 W192E38-R178 IonicContact OE1-CZ 2.75Å; E38-R178 IonicContact OE1-NH1 3.73Å; E38-R178 PolarHBondContact OE1-NH1 2.68Å; E38-R178 IonicContact OE2-NH1 2.75Å; R178-W190 HydrophobicContact CG-CB 4.4Å; R178-W190 HydrophobicContact CG-CE3 4.02Å; R178-R191 WeakPolarHBondContact CA-O 3.49Å; R178-W192 HydrophobicContact CB-CE3 4.46Å; R178-W192 HydrophobicContact CB-CZ3 4.37Å
179A93.6Very high93.5Very high0 Ų056.8 Ų56.80%031%0.308CS..EExtended strand (participates in β ladder)trans-143.6150.9179.300000110.9F136 T181 W190 R191 I193F136-A179 HydrophobicContact CE1-CB 3.82Å; F136-A179 HydrophobicContact CZ-CB 3.84Å; A179-T181 HydrophobicContact CB-CG2 4.16Å; A179-W190 VanDerWaalsContact C-CE3 3.42Å; A179-W190 WeakPolarHBondContact O-CA 2.99Å; A179-R191 PolarHBondContact N-O 3.38Å; A179-R191 PolarHBondContact O-N 3.23Å; A179-I193 HydrophobicContact CB-CD1 3.49Å; A179-I193 VanDerWaalsContact CB-CD1 3.49Å; A179-I193 HydrophobicContact CB-CG1 3.77Å
180L93.4Very high93.5Very high13 Ų1357.4 Ų57.47%0.06831%0.307CS..EExtended strand (participates in β ladder)trans-78.2121.7168.6-168.370.4000108.9L121 V124 Q134 V188 W190L121-L180 HydrophobicContact CD1-CG 4.46Å; L121-L180 HydrophobicContact CD2-CD2 3.95Å; L121-L180 HydrophobicContact CD2-CG 4.29Å; L121-L180 PolarHBondContact N-O 3.25Å; L121-L180 VanDerWaalsContact N-O 3.16Å; V124-L180 HydrophobicContact CB-CD2 4.28Å; V124-L180 HydrophobicContact CG1-CD2 4.06Å; V124-L180 HydrophobicContact CG2-CB 4.2Å; V124-L180 HydrophobicContact CG2-CD2 3.94Å; Q134-L180 PolarHBondContact NE2-O 3.24Å; L180-V188 HydrophobicContact CD1-CG1 3.86Å; L180-V188 HydrophobicContact CD2-CG1 4.26Å; L180-V188 HydrophobicContact CG-CG1 3.99Å; L180-W190 HydrophobicContact CB-CE3 4.32Å; L180-W190 HydrophobicContact CB-CH2 4.25Å; L180-W190 HydrophobicContact CB-CZ2 4.47Å; L180-W190 HydrophobicContact CB-CZ3 4.2Å; L180-W190 HydrophobicContact CD1-CD2 4.24Å; L180-W190 HydrophobicContact CD1-CG 4.39Å
181T95.7Very high93.6Very high0 Ų060 Ų600%032%0.316CS..EExtended strand (participates in β ladder)trans-137.4157.2-173.960.30000111.5V118 E119 V120 L121 A179 V188 G189 R191 I193V118-T181 HydrophobicContact CG2-CG2 3.97Å; E119-T181 CarbonylContact O-C 3.56Å; E119-T181 WeakPolarHBondContact O-CA 3.5Å; E119-T181 WeakPolarHBondContact O-CB 3.4Å; V120-T181 HydrophobicContact CG2-CG2 4.24Å; L121-T181 VanDerWaalsContact CD1-CA 3.42Å; A179-T181 HydrophobicContact CB-CG2 4.16Å; T181-V188 CarbonylContact O-C 3.56Å; T181-V188 WeakPolarHBondContact O-CA 3.47Å; T181-G189 PolarHBondContact N-O 3.43Å; T181-G189 PolarHBondContact O-N 2.7Å; T181-G189 VanDerWaalsContact O-O 3.12Å; T181-G189 PolarHBondContact OG1-O 3.21Å; T181-R191 WeakPolarHBondContact OG1-CB 3.35Å; T181-R191 VanDerWaalsContact OG1-CD 3.29Å; T181-R191 WeakPolarHBondContact OG1-CD 3.34Å; T181-R191 VanDerWaalsContact OG1-CG 3.3Å; T181-R191 WeakPolarHBondContact OG1-CG 3.39Å; T181-I193 HydrophobicContact CG2-CG2 3.76Å
182A95.9Very high93.7Very high10 Ų1060 Ų608%0.08331%0.314CS..EExtended strand (participates in β ladder)trans-107.2133.6166.500000109.1E119 L121 V188E119-A182 HydrophobicContact CB-CB 4.37Å; E119-A182 PolarHBondContact N-O 3.18Å; E119-A182 PolarHBondContact O-N 2.94Å; L121-A182 HydrophobicContact CD1-CB 4.01Å; L121-A182 VanDerWaalsContact CD1-N 3.26Å; A182-V188 HydrophobicContact CB-CG2 4.3Å
183D94.6Very high93.9Very high12 Ų1257.9 Ų57.96%0.06430%0.296CS..  trans-80.7176.1171.168.415.8000111.7Q185 G186 R187 R191D183-Q185 PolarHBondContact O-N 2.7Å; D183-Q185 WeakPolarHBondContact OD1-CA 2.89Å; D183-Q185 WeakPolarHBondContact OD1-CB 2.96Å; D183-Q185 PolarHBondContact OD1-N 3.03Å; D183-Q185 PolarHBondContact OD1-OE1 2.94Å; D183-Q185 PolarHBondContact OD2-OE1 3.03Å; D183-G186 WeakPolarHBondContact O-CA 3.47Å; D183-G186 PolarHBondContact O-N 3.15Å; D183-G186 PolarHBondContact OD1-N 2.97Å; D183-R187 PolarHBondContact N-O 3.39Å; D183-R187 WeakPolarHBondContact OD1-CB 3.19Å; D183-R187 PolarHBondContact OD1-N 3.07Å; D183-R187 IonicContact OD1-NE 3.74Å; D183-R187 IonicContact OD2-CZ 3.3Å; D183-R187 VanDerWaalsContact OD2-CZ 3.3Å; D183-R187 IonicContact OD2-NE 2.86Å; D183-R187 PolarHBondContact OD2-NE 3.06Å; D183-R187 IonicContact OD2-NH2 2.84Å; D183-R187 PolarHBondContact OD2-NH2 3.13Å; D183-R191 IonicContact OD2-NH2 3.87Å; D183-R191 PolarHBondContact OD2-NH2 3.4Å
184A93.2Very high94Very high95 Ų9556 Ų5679%0.78529%0.286SS*.THydrogen-bonded Turntrans-60.5-15.7178.400000114.2G186A184-G186 VanDerWaalsContact C-N 3.35Å
185Q93.8Very high94.1Very high121 Ų12151.5 Ų51.557%0.56527%0.265SS*.THydrogen-bonded Turntrans-93.96.9174.2-63.478.130.600112.2D183 R187D183-Q185 PolarHBondContact O-N 2.7Å; D183-Q185 WeakPolarHBondContact OD1-CA 2.89Å; D183-Q185 WeakPolarHBondContact OD1-CB 2.96Å; D183-Q185 PolarHBondContact OD1-N 3.03Å; D183-Q185 PolarHBondContact OD1-OE1 2.94Å; D183-Q185 PolarHBondContact OD2-OE1 3.03Å; Q185-R187 HydrophobicContact CB-CG 4.4Å; Q185-R187 PolarHBondContact O-N 2.91Å
186G92.7Very high94.2Very high54 Ų5450 Ų5056%0.55725%0.252SS*.  trans73.89.9-177.800000114.1D183 A184 V188D183-G186 WeakPolarHBondContact O-CA 3.47Å; D183-G186 PolarHBondContact O-N 3.15Å; D183-G186 PolarHBondContact OD1-N 2.97Å; A184-G186 VanDerWaalsContact C-N 3.35Å; G186-V188 PolarHBondContact O-N 3.32Å
187R93.3Very high94.1Very high138 Ų13846.4 Ų46.452%0.52124%0.239SC..  trans-78.2112.4179.8-61.8178.5-64.5-133.4-7.8109.6D183 Q185D183-R187 PolarHBondContact N-O 3.39Å; D183-R187 WeakPolarHBondContact OD1-CB 3.19Å; D183-R187 PolarHBondContact OD1-N 3.07Å; D183-R187 IonicContact OD1-NE 3.74Å; D183-R187 IonicContact OD2-CZ 3.3Å; D183-R187 VanDerWaalsContact OD2-CZ 3.3Å; D183-R187 IonicContact OD2-NE 2.86Å; D183-R187 PolarHBondContact OD2-NE 3.06Å; D183-R187 IonicContact OD2-NH2 2.84Å; D183-R187 PolarHBondContact OD2-NH2 3.13Å; Q185-R187 HydrophobicContact CB-CG 4.4Å; Q185-R187 PolarHBondContact O-N 2.91Å
188V93.7Very high94.1Very high86 Ų8647.1 Ų47.152%0.52125%0.245SC..EExtended strand (participates in β ladder)trans-77.4134177.1-178.50000110.2L121 L180 T181 A182 G186L121-V188 HydrophobicContact CD1-CG1 4.28Å; L121-V188 HydrophobicContact CD2-CG1 3.82Å; L121-V188 HydrophobicContact CD2-CG2 4.25Å; L180-V188 HydrophobicContact CD1-CG1 3.86Å; L180-V188 HydrophobicContact CD2-CG1 4.26Å; L180-V188 HydrophobicContact CG-CG1 3.99Å; T181-V188 CarbonylContact O-C 3.56Å; T181-V188 WeakPolarHBondContact O-CA 3.47Å; A182-V188 HydrophobicContact CB-CG2 4.3Å; G186-V188 PolarHBondContact O-N 3.32Å
189G91.9Very high94.1Very high16 Ų1644.6 Ų44.617%0.16524%0.238CC..EExtended strand (participates in β ladder)trans-176.6165.6172.600000113.4T181 R191T181-G189 PolarHBondContact N-O 3.43Å; T181-G189 PolarHBondContact O-N 2.7Å; T181-G189 VanDerWaalsContact O-O 3.12Å; T181-G189 PolarHBondContact OG1-O 3.21Å; G189-R191 PolarHBondContact O-N 3.27Å
190W91.9Very high94.1Very high89 Ų8947 Ų4734%0.33725%0.253SS..EExtended strand (participates in β ladder)trans-68.8123.9174.7-67.5100.4000110.4F34 L48 R178 A179 L180F34-W190 HydrophobicContact CE1-CZ2 4.34Å; F34-W190 HydrophobicContact CZ-CZ2 4.38Å; L48-W190 HydrophobicContact CD1-CH2 3.92Å; R178-W190 HydrophobicContact CG-CB 4.4Å; R178-W190 HydrophobicContact CG-CE3 4.02Å; A179-W190 VanDerWaalsContact C-CE3 3.42Å; A179-W190 WeakPolarHBondContact O-CA 2.99Å; L180-W190 HydrophobicContact CB-CE3 4.32Å; L180-W190 HydrophobicContact CB-CH2 4.25Å; L180-W190 HydrophobicContact CB-CZ2 4.47Å; L180-W190 HydrophobicContact CB-CZ3 4.2Å; L180-W190 HydrophobicContact CD1-CD2 4.24Å; L180-W190 HydrophobicContact CD1-CG 4.39Å
191R93.5Very high94.2Very high60 Ų6048.4 Ų48.423%0.22626%0.263CS..EExtended strand (participates in β ladder)trans-131.8155177.3-63.2-171.7-168.4-30.94.9110.7R178 A179 T181 D183 G189R178-R191 WeakPolarHBondContact CA-O 3.49Å; A179-R191 PolarHBondContact N-O 3.38Å; A179-R191 PolarHBondContact O-N 3.23Å; T181-R191 WeakPolarHBondContact OG1-CB 3.35Å; T181-R191 VanDerWaalsContact OG1-CD 3.29Å; T181-R191 WeakPolarHBondContact OG1-CD 3.34Å; T181-R191 VanDerWaalsContact OG1-CG 3.3Å; T181-R191 WeakPolarHBondContact OG1-CG 3.39Å; D183-R191 IonicContact OD2-NH2 3.87Å; D183-R191 PolarHBondContact OD2-NH2 3.4Å; G189-R191 PolarHBondContact O-N 3.27Å
192W94.9Very high94.1Very high90 Ų9050.8 Ų50.834%0.34128%0.278SS..EExtended strand (participates in β ladder)trans-81.4116.4167.7-71.6104.1000108.4L41 D112 L113 Y176 V177 R178L41-W192 HydrophobicContact CD2-CH2 4.39Å; L41-W192 HydrophobicContact CD2-CZ2 4.01Å; D112-W192 CarbonylContact C-O 3.4Å; D112-W192 WeakPolarHBondContact CA-O 3.36Å; L113-W192 HydrophobicContact CB-CB 4.13Å; L113-W192 PolarHBondContact N-O 2.63Å; Y176-W192 HydrophobicContact CD1-CB 4.2Å; V177-W192 VanDerWaalsContact C-CE3 3.46Å; V177-W192 WeakPolarHBondContact O-CA 3.45Å; R178-W192 HydrophobicContact CB-CE3 4.46Å; R178-W192 HydrophobicContact CB-CZ3 4.37Å
193I96.2Very high94Very high0 Ų054.3 Ų54.30%030%0.295CS..EExtended strand (participates in β ladder)trans-114.5148.1176.962.5165.3000110.5A110 V111 V118 V120 F136 Y176 V177 A179 T181 I195A110-I193 HydrophobicContact CB-CB 3.72Å; A110-I193 HydrophobicContact CB-CD1 3.68Å; A110-I193 HydrophobicContact CB-CG1 4.27Å; A110-I193 HydrophobicContact CB-CG2 3.89Å; V111-I193 WeakPolarHBondContact O-CA 3.36Å; V118-I193 HydrophobicContact CG2-CG2 3.88Å; V120-I193 HydrophobicContact CG2-CD1 4.03Å; F136-I193 HydrophobicContact CE1-CD1 3.86Å; F136-I193 HydrophobicContact CZ-CD1 4.1Å; Y176-I193 CarbonylContact C-O 3.54Å; Y176-I193 VanDerWaalsContact CA-O 3.29Å; Y176-I193 WeakPolarHBondContact CA-O 3.44Å; V177-I193 HydrophobicContact CG2-CD1 4.49Å; V177-I193 HydrophobicContact CG2-CG1 3.93Å; V177-I193 PolarHBondContact N-O 3.13Å; V177-I193 PolarHBondContact O-N 3.12Å; A179-I193 HydrophobicContact CB-CD1 3.49Å; A179-I193 VanDerWaalsContact CB-CD1 3.49Å; A179-I193 HydrophobicContact CB-CG1 3.77Å; T181-I193 HydrophobicContact CG2-CG2 3.76Å; I193-I195 HydrophobicContact CD1-CG2 4.49Å
194R96.1Very high93.9Very high82 Ų8259.7 Ų59.731%0.30932%0.323SS..EExtended strand (participates in β ladder)trans-83.8132.8175.671.8-167.2-173.2-140.4-2.7112R107 V111 Q174 S175 Y176R107-R194 PolarHBondContact NH1-O 3.34Å; V111-R194 HydrophobicContact CB-CG 4.25Å; V111-R194 VanDerWaalsContact CG2-NH2 3.28Å; V111-R194 PolarHBondContact O-N 3.48Å; Q174-R194 HydrophobicContact CB-CB 4.38Å; Q174-R194 VanDerWaalsContact OE1-CD 3.24Å; S175-R194 WeakPolarHBondContact O-CA 3.29Å; Y176-R194 HydrophobicContact CD1-CB 4.19Å; Y176-R194 HydrophobicContact CE1-CB 3.9Å
195I96.2Very high94Very high0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-126.9155.2171.860.2160.5000109.7R45 F136 E138 Q174 S175 V177 I193 T197R45-I195 HydrophobicContact CB-CD1 4.04Å; F136-I195 HydrophobicContact CD1-CG2 4.22Å; E138-I195 HydrophobicContact CG-CB 4.19Å; Q174-I195 VanDerWaalsContact CA-O 3.26Å; Q174-I195 WeakPolarHBondContact CA-O 3.43Å; S175-I195 PolarHBondContact N-O 3.22Å; S175-I195 PolarHBondContact O-N 3.13Å; V177-I195 HydrophobicContact CB-CD1 4.34Å; V177-I195 HydrophobicContact CB-CG1 4.46Å; V177-I195 HydrophobicContact CG1-CD1 3.5Å; V177-I195 HydrophobicContact CG1-CG1 3.77Å; V177-I195 HydrophobicContact CG2-CB 4.47Å; V177-I195 HydrophobicContact CG2-CD1 3.89Å; V177-I195 HydrophobicContact CG2-CG1 3.86Å; V177-I195 HydrophobicContact CG2-CG2 3.8Å; I193-I195 HydrophobicContact CD1-CG2 4.49Å; I195-T197 HydrophobicContact CD1-CG2 3.97Å; I195-T197 HydrophobicContact CG1-CG2 3.78Å
196D95.9Very high93.7Very high25 Ų2558.9 Ų58.913%0.13430%0.3CS..EExtended strand (participates in β ladder)trans-74.3127.3173.5-62.4-20.6000109.7E138 T139 R140 A172 Q174E138-D196 CarbonylContact C-O 3.58Å; E138-D196 VanDerWaalsContact CA-O 3.26Å; E138-D196 WeakPolarHBondContact CA-O 3.35Å; T139-D196 PolarHBondContact N-O 3.31Å; T139-D196 CarbonylContact O-C 3.56Å; T139-D196 WeakPolarHBondContact O-CB 3.2Å; R140-D196 HydrophobicContact CG-CB 4.08Å; R140-D196 IonicContact NE-OD2 3.81Å; A172-D196 HydrophobicContact CB-CB 4.4Å; Q174-D196 VanDerWaalsContact CG-OD1 3.26Å; Q174-D196 WeakPolarHBondContact CG-OD1 3.17Å; Q174-D196 PolarHBondContact NE2-OD1 2.82Å
197T93.6Very high93.1Very high12 Ų1261.2 Ų61.27%0.07430%0.304CS..EExtended strand (participates in β ladder)trans-127-11.9-171.657.90000114.7R45 R77 T139 K173 I195R45-T197 PolarHBondContact NH2-O 3.18Å; R77-T197 PolarHBondContact NH1-O 2.99Å; T139-T197 WeakPolarHBondContact CB-O 3.41Å; K173-T197 PolarHBondContact O-N 2.88Å; K173-T197 PolarHBondContact O-OG1 3.29Å; I195-T197 HydrophobicContact CD1-CG2 3.97Å; I195-T197 HydrophobicContact CG1-CG2 3.78Å
198A92.4Very high91.6Very high16 Ų1658 Ų5813%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-159.4164.6172.100000110.8T139 A172 K173 V200T139-A198 PolarHBondContact O-N 3.08Å; A172-A198 CarbonylContact C-O 3.59Å; A172-A198 WeakPolarHBondContact CA-O 3.38Å; K173-A198 HydrophobicContact CB-CB 4.27Å; K173-A198 PolarHBondContact N-O 3.14Å; K173-A198 PolarHBondContact O-N 3Å; A198-V200 HydrophobicContact CB-CG1 4.32Å
199C93.3Very high90Very high18 Ų1864.2 Ų64.212%0.12233%0.328CS..EExtended strand (participates in β ladder)trans-106.4125.2161-1710000108.5C97 A99 C141 K171C97-C199 HydrophobicContact CB-CB 4.3Å; C97-C199 VanDerWaalsContact CB-SG 3.54Å; A99-C199 HydrophobicContact CB-CB 3.82Å; C141-C199 WeakPolarHBondContact CA-SG 3.22Å; C141-C199 HydrophobicContact CB-CB 3.9Å; C141-C199 WeakPolarHBondContact CB-SG 3.39Å; C141-C199 WeakPolarHBondContact SG-CB 3.37Å; C141-C199 CovalentContact SG-SG 2.03Å; C141-C199 PolarHBondContact SG-SG 2.72Å; K171-C199 WeakPolarHBondContact O-CA 3.48Å
200V94.4Very high88Confident51 Ų5171.9 Ų71.931%0.30939%0.39SS..EExtended strand (participates in β ladder)trans-123154-176.2-61.70000110.7C170 K171 K173 A198C170-V200 CarbonylContact C-O 3.57Å; C170-V200 WeakPolarHBondContact CA-O 3.01Å; K171-V200 PolarHBondContact N-O 3.08Å; K171-V200 PolarHBondContact O-N 2.79Å; K173-V200 HydrophobicContact CB-CG1 3.91Å; K173-V200 HydrophobicContact CB-CG2 4.04Å; K173-V200 HydrophobicContact CD-CG1 4.1Å; A198-V200 HydrophobicContact CB-CG1 4.32Å
201C94.2Very high87.8Confident41 Ų4171 Ų7128%0.27739%0.392SS..EExtended strand (participates in β ladder)trans-88.5129.6172.7-176.50000110.6V96 C158V96-C201 HydrophobicContact CG1-CB 3.61Å; C158-C201 HydrophobicContact CB-CB 3.85Å; C158-C201 WeakPolarHBondContact CB-SG 3.06Å; C158-C201 WeakPolarHBondContact SG-CA 3.49Å; C158-C201 WeakPolarHBondContact SG-CB 3.25Å; C158-C201 CovalentContact SG-SG 2.02Å; C158-C201 PolarHBondContact SG-SG 2.67Å
202T94.6Very high87.5Confident51 Ų5171.6 Ų71.631%0.31340%0.401SS..EExtended strand (participates in β ladder)trans-104.2144.1169.359.40000109.7S168 E169 K171S168-T202 CarbonylContact C-O 3.55Å; S168-T202 WeakPolarHBondContact CA-O 3.36Å; E169-T202 PolarHBondContact N-O 3.14Å; E169-T202 PolarHBondContact O-N 2.96Å; E169-T202 PolarHBondContact O-OG1 2.71Å; K171-T202 HydrophobicContact CB-CG2 4.41Å; K171-T202 HydrophobicContact CD-CG2 4.2Å; K171-T202 HydrophobicContact CG-CG2 4.4Å
203L93.9Very high87.1Confident84 Ų8470.6 Ų70.644%0.4441%0.405SS..EExtended strand (participates in β ladder)trans-125.4138.2-176.2-60.1179.7000110.2V161 W166 V167V161-L203 HydrophobicContact CB-CD2 4.4Å; V161-L203 HydrophobicContact CG1-CD2 3.69Å; V161-L203 HydrophobicContact CG2-CD2 3.79Å; W166-L203 HydrophobicContact CB-CD2 4.45Å; W166-L203 HydrophobicContact CE3-CB 3.91Å; W166-L203 HydrophobicContact CZ3-CB 4.39Å; V167-L203 CarbonylContact O-C 3.55Å
204L93.2Very high86.6Confident124 Ų12474.7 Ų74.765%0.64943%0.428SS*.EExtended strand (participates in β ladder)trans-127.1126171.2-67.8173.1000108.5W166 V167W166-L204 CarbonylContact C-O 3.58Å; W166-L204 WeakPolarHBondContact CA-O 3.4Å; V167-L204 HydrophobicContact CB-CB 4.32Å; V167-L204 PolarHBondContact N-O 3.02Å; V167-L204 PolarHBondContact O-N 3.5Å
205S93.3Very high86Confident39 Ų3974.3 Ų74.327%0.27344%0.436SS..EExtended strand (participates in β ladder)trans-68.2134.1177.8177.90000110.3T207S205-T207 PolarHBondContact O-N 3.04Å; S205-T207 PolarHBondContact OG-N 3.18Å; S205-T207 PolarHBondContact OG-OG1 2.95Å
206R87.6Confident85.3Confident161 Ų16179.2 Ų79.261%0.60847%0.465SS*.THydrogen-bonded Turntrans-72-18.9174.1-67.4-175.177.5166.33.7112.6R163 H165 V167R163-R206 PolarHBondContact O-NH1 2.91Å; H165-R206 WeakPolarHBondContact O-CB 3.5Å; H165-R206 PolarHBondContact O-N 3.01Å; V167-R206 HydrophobicContact CG2-CG 3.83Å
207T81.7Confident84.6Confident102 Ų10283.1 Ų83.163%0.62649%0.488SS*.THydrogen-bonded Turntrans-95.48.1-17554.70000114S205 R209S205-T207 PolarHBondContact O-N 3.04Å; S205-T207 PolarHBondContact OG-N 3.18Å; S205-T207 PolarHBondContact OG-OG1 2.95Å; T207-R209 PolarHBondContact O-N 3.17Å
208G61.2Low83.9Confident72 Ų7288.5 Ų88.574%0.74252%0.52SS*.  trans63.6717100000116
209R59.3Low83.2Confident215 Ų21594.6 Ų94.681%0.81155%0.553SS**  trans-92.5111171.2-67.6-172.3-170.1-174.62.7108.7T207T207-R209 PolarHBondContact O-N 3.17Å
210A51.3Low82.3Confident177 Ų177101.5 Ų101.5100%1.46359%0.592SS**  trans-76.20166.400000110.3

Retrieved 210 of 210 residues in 146.9 ms (Link to these results)