A0A093HZX2_STRCA Loading...

Gremlin-2

AlphaFold DB , UniProt , Accession A0A093HZX2, Species STRCA (Struthio camelus australis), Gene n/a, Length 168 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
1M58.2Low56.6Low215 Ų215135.5 Ų135.5100%1.05967%0.668SS**  012.90-75.6-172.3-90.200114.5
2I53.4Low56.6Low148 Ų148134.6 Ų134.676%0.75966%0.663SS**  trans-97.5-27.2-174.8-62.5159.6000112.1K4 F5 A6I2-K4 VanDerWaalsContact C-N 3.32Å; I2-K4 PolarHBondContact O-N 3.34Å; I2-F5 PolarHBondContact O-N 3.12Å; I2-A6 PolarHBondContact O-N 2.98Å
3W46.4Very low56.5Low212 Ų212128.5 Ų128.580%0.80365%0.647SS**Hα-helixtrans-68.3-27.8-178.3-162.52.2000113.8F5 A6 L7W3-F5 VanDerWaalsContact C-N 3.34Å; W3-F5 PolarHBondContact O-N 3.34Å; W3-A6 PolarHBondContact O-N 3.47Å; W3-L7 PolarHBondContact O-N 3.29Å; W3-L7 VanDerWaalsContact O-N 3.12Å
4K55Low56.4Low174 Ų174123.8 Ų123.876%0.75764%0.638SS**Hα-helixtrans-66.8-34.5176.8-67.7-171.3172-173.80112.4I2 S8I2-K4 VanDerWaalsContact C-N 3.32Å; I2-K4 PolarHBondContact O-N 3.34Å; K4-S8 PolarHBondContact O-N 3.45Å
5F55.2Low56.2Low152 Ų152124.6 Ų124.667%0.66764%0.643SS**Hα-helixtrans-73.5-36.8175.4-75.4-76.2000111.9I2 W3 L7 S8 V9I2-F5 PolarHBondContact O-N 3.12Å; W3-F5 VanDerWaalsContact C-N 3.34Å; W3-F5 PolarHBondContact O-N 3.34Å; F5-L7 VanDerWaalsContact C-N 3.34Å; F5-L7 PolarHBondContact O-N 3.22Å; F5-S8 PolarHBondContact O-N 3.38Å; F5-V9 WeakPolarHBondContact O-CG2 3.35Å; F5-V9 PolarHBondContact O-N 3.26Å
6A59.1Low55.8Low50 Ų50124.1 Ų124.141%0.41365%0.647SS.*Hα-helixtrans-62.7-39.717500000112.3I2 W3 F10I2-A6 PolarHBondContact O-N 2.98Å; W3-A6 PolarHBondContact O-N 3.47Å; A6-F10 WeakPolarHBondContact O-CB 3.47Å; A6-F10 PolarHBondContact O-N 3.44Å
7L59.1Low55.1Low96 Ų96129.9 Ų129.950%0.50366%0.658SS.*Hα-helixtrans-66.7-38.6174.9-107.6113.4000112.7W3 F5 F10 L11W3-L7 PolarHBondContact O-N 3.29Å; W3-L7 VanDerWaalsContact O-N 3.12Å; F5-L7 VanDerWaalsContact C-N 3.34Å; F5-L7 PolarHBondContact O-N 3.22Å; L7-F10 PolarHBondContact O-N 3.02Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.42Å
8S59.3Low54.5Low68 Ų68129.7 Ų129.748%0.47667%0.665SS.*Hα-helixtrans-67.5-39.9177.9175.40000112.3K4 F5 L11 M12K4-S8 PolarHBondContact O-N 3.45Å; F5-S8 PolarHBondContact O-N 3.38Å; S8-L11 PolarHBondContact O-N 3.13Å; S8-M12 WeakPolarHBondContact O-CG 3.48Å; S8-M12 PolarHBondContact O-N 3.06Å; S8-M12 VanDerWaalsContact O-N 3.13Å
9V59.6Low53.9Low101 Ų101129.3 Ų129.361%0.61267%0.669SS**Hα-helixtrans-68.2-37.1175.5174.90000111.2F5 A13F5-V9 WeakPolarHBondContact O-CG2 3.35Å; F5-V9 PolarHBondContact O-N 3.26Å; V9-A13 WeakPolarHBondContact O-CB 3.43Å; V9-A13 PolarHBondContact O-N 2.99Å
10F58.4Low53.2Low163 Ų163128.3 Ų128.372%0.71567%0.665SS**Hα-helixtrans-67.7-38.8174.9-107-88.8000113.3A6 L7 A13 A14A6-F10 WeakPolarHBondContact O-CB 3.47Å; A6-F10 PolarHBondContact O-N 3.44Å; L7-F10 PolarHBondContact O-N 3.02Å; F10-A13 PolarHBondContact O-N 3.36Å; F10-A14 PolarHBondContact O-N 3.42Å
11L58.7Low52.4Low112 Ų112129 Ų12959%0.58668%0.675SS**Hα-helixtrans-66-37.2176.3-97.1149.6000112.5L7 S8 A14 L15L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.42Å; S8-L11 PolarHBondContact O-N 3.13Å; L11-A14 PolarHBondContact O-N 3.45Å; L11-L15 PolarHBondContact O-N 3.07Å
12M57Low51.5Low124 Ų124127.9 Ų127.961%0.61166%0.659SS**Hα-helixtrans-74.5-31.7175.1-66.8-61.4-7800112.6S8 A14 L15S8-M12 WeakPolarHBondContact O-CG 3.48Å; S8-M12 PolarHBondContact O-N 3.06Å; S8-M12 VanDerWaalsContact O-N 3.13Å; M12-A14 VanDerWaalsContact C-N 3.32Å; M12-L15 PolarHBondContact O-N 3.48Å; M12-L15 HydrophobicContact SD-CD1 4.36Å
13A55Low50.7Low55 Ų55130.5 Ų130.546%0.45567%0.665SS.*Hα-helixtrans-68.8-29.9173.400000112.9V9 F10V9-A13 WeakPolarHBondContact O-CB 3.43Å; V9-A13 PolarHBondContact O-N 2.99Å; F10-A13 PolarHBondContact O-N 3.36Å
14A55.4Low50.3Low63 Ų63127.7 Ų127.752%0.52167%0.666SS.*Hα-helixtrans-70.9-31.5175.900000112.8F10 L11 M12F10-A14 PolarHBondContact O-N 3.42Å; L11-A14 PolarHBondContact O-N 3.45Å; M12-A14 VanDerWaalsContact C-N 3.32Å
15L53.4Low49.7Very low136 Ų136130.4 Ų130.471%0.71267%0.671SS**Hα-helixtrans-76.8-17.6179.3-69.3172.3000114L11 M12L11-L15 PolarHBondContact O-N 3.07Å; M12-L15 PolarHBondContact O-N 3.48Å; M12-L15 HydrophobicContact SD-CD1 4.36Å
16V48.9Very low48.9Very low116 Ų116128.7 Ų128.770%0.70368%0.675SS**Hα-helixtrans-88.1-15.4179.1178.90000113
17R45.4Very low48.2Very low223 Ų223131.1 Ų131.184%0.84270%0.695SS**SBendtrans-92.93.4-174.3-72.2-83.9-177.6126.5-0.9115.3T19R17-T19 PolarHBondContact O-N 3.44Å
18V44.4Very low47.1Very low127 Ų127129.9 Ų129.977%0.7771%0.705SS**  trans-100.267.7174.8-169.90000110.3
19T42.3Very low46Very low121 Ų121131.3 Ų131.374%0.74272%0.721SS**SBendtrans-112.794.3157.855.50000108.4R17R17-T19 PolarHBondContact O-N 3.44Å
20D39.9Very low45.2Very low110 Ų110134 Ų13459%0.58873%0.73SS**  trans47.878.5139.2-143.1-6.1000115.3R22D20-R22 PolarHBondContact O-N 2.88Å; D20-R22 WeakPolarHBondContact OD1-CG 3.44Å; D20-R22 IonicContact OD2-CZ 2.68Å; D20-R22 IonicContact OD2-NE 3.89Å; D20-R22 PolarHBondContact OD2-NE 2.93Å; D20-R22 VanDerWaalsContact OD2-NE 3.11Å; D20-R22 IonicContact OD2-NH2 2.86Å; D20-R22 PolarHBondContact OD2-NH2 2.95Å
21T36.6Very low44.2Very low144 Ų144131.7 Ų131.788%0.88373%0.732SS**  trans-68.579.2158.349.90000108.7K23T21-K23 VanDerWaalsContact C-N 3.32Å; T21-K23 PolarHBondContact O-N 3.11Å
22R39.3Very low43.3Very low191 Ų191130 Ų13072%0.72173%0.73SS**  trans-6697.5163.9-70.2-172.6-176.5178.10.1107.6D20 N24D20-R22 PolarHBondContact O-N 2.88Å; D20-R22 WeakPolarHBondContact OD1-CG 3.44Å; D20-R22 IonicContact OD2-CZ 2.68Å; D20-R22 IonicContact OD2-NE 3.89Å; D20-R22 PolarHBondContact OD2-NE 2.93Å; D20-R22 VanDerWaalsContact OD2-NE 3.11Å; D20-R22 IonicContact OD2-NH2 2.86Å; D20-R22 PolarHBondContact OD2-NH2 2.95Å; R22-N24 PolarHBondContact O-N 3.19Å
23K35.9Very low42.7Very low203 Ų203130.1 Ų130.188%0.88374%0.74SS**  trans-55.499.7168.7-169.4172.5-174.3173.50107.8T21 R25T21-K23 VanDerWaalsContact C-N 3.32Å; T21-K23 PolarHBondContact O-N 3.11Å; K23-R25 PolarHBondContact O-N 2.94Å
24N38.1Very low42.3Very low153 Ų153137.1 Ų137.182%0.81876%0.756SS**  trans-57.5107.3173-79.1-33.5000107.9R22R22-N24 PolarHBondContact O-N 3.19Å
25R43Very low41.4Very low230 Ų230143.3 Ų143.387%0.86877%0.771SS**  trans-61.5129.1171-169.5176-174.3150.71.9106.7K23 A27K23-R25 PolarHBondContact O-N 2.94Å; R25-A27 PolarHBondContact O-N 3.43Å
26P38Very low40.8Very low116 Ų116144.5 Ų144.575%0.75378%0.778SS**  trans-58128.9176.922.2-29.7000108G28P26-G28 PolarHBondContact O-N 3.47Å
27A44.6Very low40.7Very low102 Ų102144.6 Ų144.684%0.84378%0.784SS**  trans-58108.2175.600000107.5R25 A29R25-A27 PolarHBondContact O-N 3.43Å; A27-A29 PolarHBondContact O-N 2.83Å; A27-A29 VanDerWaalsContact O-N 3.11Å
28G35.1Very low40.5Very low69 Ų69139 Ų13971%0.71178%0.778SS**  trans-62.4114.7172.300000107.8P26 I30P26-G28 PolarHBondContact O-N 3.47Å; G28-I30 PolarHBondContact O-N 3.11Å
29A37.1Very low40.8Very low98 Ų98137.8 Ų137.881%0.8178%0.776SS**PPolyproline II helixtrans-64.9122.6173.200000108.6A27A27-A29 PolarHBondContact O-N 2.83Å; A27-A29 VanDerWaalsContact O-N 3.11Å
30I43.6Very low40.9Very low157 Ų157137.5 Ų137.581%0.80577%0.77SS**PPolyproline II helixtrans-84.2126166.1-59.8172.9000105.8G28 S32G28-I30 PolarHBondContact O-N 3.11Å; I30-S32 PolarHBondContact O-N 3.05Å
31P36.8Very low41.4Very low115 Ų115139.9 Ų139.975%0.74778%0.782SS**PPolyproline II helixtrans-67.1128.5-18028-33000109.7
32S38.7Very low41.9Very low78 Ų78137.4 Ų137.455%0.54577%0.771SS.*PPolyproline II helixtrans-65.2136.2169.8177.40000109.6I30 Y34I30-S32 PolarHBondContact O-N 3.05Å; S32-Y34 WeakPolarHBondContact CB-O 3.49Å; S32-Y34 PolarHBondContact O-N 3.42Å; S32-Y34 PolarHBondContact OG-N 3.3Å; S32-Y34 PolarHBondContact OG-O 3.36Å
33P46.1Very low42.3Very low125 Ų125134.2 Ų134.281%0.81277%0.765SS**SBendtrans-69.8-9.1172.428.7-32.1000112.8
34Y46.5Very low42.7Very low203 Ų203134.6 Ų134.680%0.79676%0.761SS**  trans-126.399.2169.8-76.8-89.9000108.5S32S32-Y34 WeakPolarHBondContact CB-O 3.49Å; S32-Y34 PolarHBondContact O-N 3.42Å; S32-Y34 PolarHBondContact OG-N 3.3Å; S32-Y34 PolarHBondContact OG-O 3.36Å
35K36.3Very low42.9Very low193 Ų193137.9 Ų137.984%0.83976%0.761SS**  trans-101.195.7167.6-176-178.7-178.9-175.50106.6
36D40.5Very low43Very low161 Ų161133.9 Ų133.986%0.86175%0.753SS**  trans-116.8133.8155.4-97.4-34.8000109.9S38D36-S38 PolarHBondContact O-N 2.75Å
37S46.1Very low43.5Very low118 Ų118135 Ų13583%0.82575%0.747SS**  trans-71.5113.8-170149.40000111.2
38S41.4Very low43.5Very low104 Ų104136.7 Ų136.773%0.72774%0.741SS**  trans-166.1124.8149.3-174.90000110.7D36D36-S38 PolarHBondContact O-N 2.75Å
39S51.8Low44Very low102 Ų102138.5 Ų138.571%0.71374%0.735SS**  trans-80.8125.6-178.1116.80000110.3
40N44Very low44.5Very low116 Ų116140.9 Ų140.962%0.6273%0.727SS**  trans-145.5119.8158.4-91.4-32.9000111.3S42N40-S42 PolarHBondContact O-N 3.18Å
41N49.6Very low44.7Very low159 Ų159142 Ų14285%0.8573%0.729SS**THydrogen-bonded Turntrans-69.30.4-173.3-86.7-47.4000115.1
42S48.5Very low45.4Very low93 Ų93137.7 Ų137.765%0.6570%0.701SS**THydrogen-bonded Turntrans-83.6-19.9179.255.40000114N40 R44N40-S42 PolarHBondContact O-N 3.18Å; S42-R44 VanDerWaalsContact C-N 3.34Å; S42-R44 PolarHBondContact O-N 3.25Å
43E47.1Very low46.2Very low124 Ų124137.3 Ų137.358%0.57969%0.692SS**THydrogen-bonded Turntrans-77.3-18-173.9-64.9-168.9151.600114R45 Q46 H47E43-R45 PolarHBondContact O-N 3.21Å; E43-Q46 PolarHBondContact O-N 3.23Å; E43-Q46 VanDerWaalsContact O-N 3.09Å; E43-H47 PolarHBondContact O-N 3.12Å; E43-H47 VanDerWaalsContact O-N 3.12Å
44R44.7Very low46.5Very low211 Ų211135 Ų13580%0.79668%0.683SS**Hα-helixtrans-63.6-28.2-176.8-163.8170.8-177.1171.20.7113S42S42-R44 VanDerWaalsContact C-N 3.34Å; S42-R44 PolarHBondContact O-N 3.25Å
45R41.3Very low46.7Very low221 Ų221125.8 Ų125.883%0.83465%0.649SS**Hα-helixtrans-79.3-30175.2-95.6-179.9165.5170.1-4.1113.1E43E43-R45 PolarHBondContact O-N 3.21Å
46Q46.3Very low47.5Very low147 Ų147117.2 Ų117.269%0.68761%0.613SS**Hα-helixtrans-76.3-29176.9-76.8-177.9-16.900112.2E43 N49E43-Q46 PolarHBondContact O-N 3.23Å; E43-Q46 VanDerWaalsContact O-N 3.09Å; Q46-N49 PolarHBondContact O-N 3.44Å
47H46.5Very low48.4Very low138 Ų138114.2 Ų114.264%0.63959%0.594SS**Hα-helixtrans-75.6-27.7-175.9-136.2-91.3000114.4E43 N49 K50E43-H47 PolarHBondContact O-N 3.12Å; E43-H47 VanDerWaalsContact O-N 3.12Å; H47-N49 VanDerWaalsContact C-N 3.27Å; H47-N49 PolarHBondContact O-N 2.82Å; H47-K50 PolarHBondContact O-N 3.09Å
48L46.2Very low48.7Very low138 Ų138113.8 Ų113.872%0.72358%0.579SS**G310 helixtrans-65.1-29.1174.4-103.5146.1000112.8K50L48-K50 VanDerWaalsContact C-N 3.27Å; L48-K50 PolarHBondContact O-N 3.26Å
49N45Very low49.2Very low108 Ų108108.9 Ų108.958%0.57855%0.545SS*.G310 helixtrans-81.2-6.4179.3-72.8-31.6000113.5Q46 H47 V52 R65Q46-N49 PolarHBondContact O-N 3.44Å; H47-N49 VanDerWaalsContact C-N 3.27Å; H47-N49 PolarHBondContact O-N 2.82Å; N49-V52 VanDerWaalsContact O-CG2 3.29Å; N49-V52 WeakPolarHBondContact O-CG2 2.96Å; N49-R65 PolarHBondContact O-NH1 3.11Å; N49-R65 VanDerWaalsContact O-NH1 3.14Å
50K46.5Very low49.3Very low147 Ų147108 Ų10864%0.63953%0.532SS*.G310 helixtrans-102.19-170.1-134.1175.4-174.9177.60114.2H47 L48 V52H47-K50 PolarHBondContact O-N 3.09Å; L48-K50 VanDerWaalsContact C-N 3.27Å; L48-K50 PolarHBondContact O-N 3.26Å; K50-V52 PolarHBondContact O-N 2.96Å
51E48.8Very low49.9Very low182 Ų182108.8 Ų108.885%0.8554%0.54SS*.  trans-77.452.6162.9-67.6-166.7167.900110.7
52V52.2Low50.6Low24 Ų24104.8 Ų104.815%0.14552%0.521CS..  trans-106.8125.2178.8-178.70000106.7N49 K50 Q57 R65N49-V52 VanDerWaalsContact O-CG2 3.29Å; N49-V52 WeakPolarHBondContact O-CG2 2.96Å; K50-V52 PolarHBondContact O-N 2.96Å; V52-Q57 HydrophobicContact CB-CG 3.92Å; V52-Q57 HydrophobicContact CG1-CG 3.81Å; V52-Q57 PolarHBondContact O-NE2 2.81Å; V52-R65 VanDerWaalsContact CG2-NH1 3.28Å
53L55Low51.4Low69 Ų69102.6 Ų102.636%0.36150%0.504SS..  trans-52.9147.1178.6-63.5170.8000109.9S55 S56 Q57 D71 C157L53-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact O-N 3.16Å; L53-S56 CarbonylContact O-C 3.59Å; L53-S56 WeakPolarHBondContact O-CA 3.39Å; L53-S56 WeakPolarHBondContact O-CB 3.2Å; L53-S56 PolarHBondContact O-N 2.83Å; L53-Q57 PolarHBondContact O-N 3.44Å; L53-D71 HydrophobicContact CD1-CB 4.02Å; L53-D71 WeakPolarHBondContact CD1-OD2 3.5Å; L53-C157 HydrophobicContact CD1-CB 4.13Å
54A51.9Low52.2Low76 Ų76101.8 Ų101.863%0.62850%0.5SS*.Hα-helixtrans-53.6-39.4-178.500000112.6S56 Q57A54-S56 VanDerWaalsContact C-N 3.35Å; A54-S56 PolarHBondContact O-N 3.45Å; A54-Q57 PolarHBondContact O-N 3.37Å
55S51.9Low53.2Low11 Ų1197.8 Ų97.88%0.07749%0.485CS..Hα-helixtrans-67.1-32.1173.7170.60000113.1L53 A59 S119L53-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact O-N 3.16Å; S55-A59 PolarHBondContact O-N 2.82Å; S55-S119 PolarHBondContact OG-OG 2.87Å
56S53Low54.5Low13 Ų1393.8 Ų93.89%0.09147%0.474CS..Hα-helixtrans-81.7-18178.4-550000113.6L53 A54 A59 L60L53-S56 CarbonylContact O-C 3.59Å; L53-S56 WeakPolarHBondContact O-CA 3.39Å; L53-S56 WeakPolarHBondContact O-CB 3.2Å; L53-S56 PolarHBondContact O-N 2.83Å; A54-S56 VanDerWaalsContact C-N 3.35Å; A54-S56 PolarHBondContact O-N 3.45Å; S56-A59 PolarHBondContact O-N 3.4Å; S56-L60 WeakPolarHBondContact O-CB 3.38Å; S56-L60 PolarHBondContact O-N 2.84Å
57Q57.7Low55.4Low97 Ų9794.3 Ų94.345%0.45347%0.47SS..Hα-helixtrans-70.7-41.9176.1-70.9177.925.700111.1V52 L53 A54 L60V52-Q57 HydrophobicContact CB-CG 3.92Å; V52-Q57 HydrophobicContact CG1-CG 3.81Å; V52-Q57 PolarHBondContact O-NE2 2.81Å; L53-Q57 PolarHBondContact O-N 3.44Å; A54-Q57 PolarHBondContact O-N 3.37Å; Q57-L60 WeakPolarHBondContact O-CB 3.25Å; Q57-L60 PolarHBondContact O-N 2.96Å
58E52.2Low56.7Low110 Ų11089.2 Ų89.251%0.51445%0.448SS..Hα-helixtrans-66.4-41.1171-69.6178.4177.300110.8L60 V61 V62 F117E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 2.98Å; E58-V61 WeakPolarHBondContact O-CB 3.25Å; E58-V61 PolarHBondContact O-N 2.8Å; E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 2.96Å; E58-F117 HydrophobicContact CB-CZ 4.33Å; E58-F117 WeakPolarHBondContact OE2-CE2 3.05Å
59A52.5Low58.3Low1 Ų191 Ų911%0.00845%0.45CS..Hα-helixtrans-64.1-29.9176.500000113.7S55 S56 V61 V62 T63 L68 F104S55-A59 PolarHBondContact O-N 2.82Å; S56-A59 PolarHBondContact O-N 3.4Å; A59-V61 PolarHBondContact O-N 3.44Å; A59-V62 CarbonylContact O-C 3.57Å; A59-V62 PolarHBondContact O-N 2.88Å; A59-T63 PolarHBondContact O-N 3.12Å; A59-L68 HydrophobicContact CB-CD1 4.38Å; A59-F104 HydrophobicContact CB-CD1 4.47Å; A59-F104 HydrophobicContact CB-CD2 4.01Å; A59-F104 HydrophobicContact CB-CE1 4.18Å; A59-F104 HydrophobicContact CB-CE2 3.68Å; A59-F104 HydrophobicContact CB-CG 4.4Å; A59-F104 HydrophobicContact CB-CZ 3.78Å
60L53.8Low60.1Low84 Ų8491.4 Ų91.444%0.4446%0.461SS..Hα-helixtrans-62.6-29.6172.6-17867.9000112.2S56 Q57 E58 V62 R65S56-L60 WeakPolarHBondContact O-CB 3.38Å; S56-L60 PolarHBondContact O-N 2.84Å; Q57-L60 WeakPolarHBondContact O-CB 3.25Å; Q57-L60 PolarHBondContact O-N 2.96Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 2.98Å; L60-V62 VanDerWaalsContact C-N 3.33Å; L60-R65 HydrophobicContact CD1-CB 3.92Å
61V57.8Low62.2Low132 Ų13286.1 Ų86.180%0.844%0.44SS*.Hα-helixtrans-75-27.3173.2-177.30000110.8E58 A59E58-V61 WeakPolarHBondContact O-CB 3.25Å; E58-V61 PolarHBondContact O-N 2.8Å; A59-V61 PolarHBondContact O-N 3.44Å
62V62.9Low64.2Low74 Ų7481.8 Ų81.845%0.44842%0.416SS..Hα-helixtrans-92.2-34-176.6-174.10000113.8E58 A59 L60 I106E58-V62 WeakPolarHBondContact O-CG2 3.33Å; E58-V62 PolarHBondContact O-N 2.96Å; A59-V62 CarbonylContact O-C 3.57Å; A59-V62 PolarHBondContact O-N 2.88Å; L60-V62 VanDerWaalsContact C-N 3.33Å; V62-I106 HydrophobicContact CB-CD1 3.92Å; V62-I106 HydrophobicContact CG1-CB 4.33Å; V62-I106 HydrophobicContact CG1-CD1 3.26Å; V62-I106 HydrophobicContact CG1-CG1 3.47Å; V62-I106 VanDerWaalsContact CG1-CG1 3.47Å; V62-I106 HydrophobicContact CG1-CG2 4.04Å; V62-I106 HydrophobicContact CG2-CD1 4.02Å
63T65.2Low66.4Low47 Ų4782.1 Ų82.129%0.28842%0.419SS..SBendtrans-145.4151.1179.5-171.80000111.3A59 L68A59-T63 PolarHBondContact O-N 3.12Å; T63-L68 HydrophobicContact CG2-CD2 3.66Å; T63-L68 HydrophobicContact CG2-CG 4.09Å
64E64.1Low68.4Low108 Ų10883.6 Ų83.651%0.50542%0.422SS..  trans-63.5142.8178.9-65.1179.9-116.900111.8K66 Y67E64-K66 HydrophobicContact CB-CD 4.42Å; E64-K66 HydrophobicContact CB-CG 4.04Å; E64-K66 VanDerWaalsContact CD-CE 3.49Å; E64-K66 PolarHBondContact O-N 3.49Å; E64-K66 WeakPolarHBondContact OE1-CE 3.48Å; E64-K66 IonicContact OE1-NZ 3.47Å; E64-K66 PolarHBondContact OE1-NZ 2.86Å; E64-K66 WeakPolarHBondContact OE2-CD 3.48Å; E64-K66 WeakPolarHBondContact OE2-CE 3.38Å; E64-K66 IonicContact OE2-NZ 3.71Å; E64-K66 PolarHBondContact OE2-NZ 2.92Å; E64-Y67 HydrophobicContact CB-CD2 4.01Å; E64-Y67 HydrophobicContact CB-CE2 4.25Å; E64-Y67 PolarHBondContact O-N 2.78Å
65R66.6Low70.6Confident127 Ų12781.7 Ų81.748%0.47940%0.403SS..G310 helixtrans-54-26.2179.4-167.7175-175.2136.70.9114N49 V52 L60 Y67 L68N49-R65 PolarHBondContact O-NH1 3.11Å; N49-R65 VanDerWaalsContact O-NH1 3.14Å; V52-R65 VanDerWaalsContact CG2-NH1 3.28Å; L60-R65 HydrophobicContact CD1-CB 3.92Å; R65-Y67 PolarHBondContact O-N 2.92Å; R65-L68 WeakPolarHBondContact O-CB 3.49Å; R65-L68 PolarHBondContact O-N 3.29Å
66K67.5Low72.8Confident137 Ų13785 Ų8560%0.59642%0.417SS*.G310 helixtrans-64-25.7178.672.5-169.8-177.1-153.80113.4E64E64-K66 HydrophobicContact CB-CD 4.42Å; E64-K66 HydrophobicContact CB-CG 4.04Å; E64-K66 VanDerWaalsContact CD-CE 3.49Å; E64-K66 PolarHBondContact O-N 3.49Å; E64-K66 WeakPolarHBondContact OE1-CE 3.48Å; E64-K66 IonicContact OE1-NZ 3.47Å; E64-K66 PolarHBondContact OE1-NZ 2.86Å; E64-K66 WeakPolarHBondContact OE2-CD 3.48Å; E64-K66 WeakPolarHBondContact OE2-CE 3.38Å; E64-K66 IonicContact OE2-NZ 3.71Å; E64-K66 PolarHBondContact OE2-NZ 2.92Å
67Y67Low74.9Confident157 Ų15788.1 Ų88.162%0.61644%0.437SS*.G310 helixtrans-88.7-12.3175.8-58.6-61.7000112.4E64 R65E64-Y67 HydrophobicContact CB-CD2 4.01Å; E64-Y67 HydrophobicContact CB-CE2 4.25Å; E64-Y67 PolarHBondContact O-N 2.78Å; R65-Y67 PolarHBondContact O-N 2.92Å
68L73.1Confident76.8Confident32 Ų3287.8 Ų87.817%0.16844%0.438CS..  trans-88.6109178.8-60.5-177.4000110.4A59 T63 R65 F104A59-L68 HydrophobicContact CB-CD1 4.38Å; T63-L68 HydrophobicContact CG2-CD2 3.66Å; T63-L68 HydrophobicContact CG2-CG 4.09Å; R65-L68 WeakPolarHBondContact O-CB 3.49Å; R65-L68 PolarHBondContact O-N 3.29Å; L68-F104 HydrophobicContact CD2-CE1 3.38Å; L68-F104 HydrophobicContact CD2-CZ 3.45Å; L68-F104 VanDerWaalsContact CD2-CZ 3.45Å
69K80.1Confident79Confident175 Ų17591.3 Ų91.376%0.76145%0.447SS*.PPolyproline II helixtrans-72.5145.9167.4-70.6-173.4179.5178.30109.9D71 N102K69-D71 PolarHBondContact O-N 2.82Å; K69-N102 PolarHBondContact O-ND2 2.84Å
70S82.8Confident81.1Confident116 Ų11694.7 Ų94.781%0.81146%0.462SS*.PPolyproline II helixtrans-69.5126.9177-64.80000110.3
71D89.6Confident83.2Confident36 Ų3694.7 Ų94.719%0.19347%0.466CS..PPolyproline II helixtrans-64.4152.2170.9-72.8-27000111.3L53 K69 C101 N102L53-D71 HydrophobicContact CD1-CB 4.02Å; L53-D71 WeakPolarHBondContact CD1-OD2 3.5Å; K69-D71 PolarHBondContact O-N 2.82Å; D71-C101 VanDerWaalsContact OD1-C 3.3Å; D71-C101 VanDerWaalsContact OD1-CA 3.3Å; D71-C101 WeakPolarHBondContact OD1-CA 2.94Å; D71-N102 VanDerWaalsContact CG-N 3.33Å; D71-N102 VanDerWaalsContact CG-ND2 3.27Å; D71-N102 WeakPolarHBondContact OD1-CB 3.33Å; D71-N102 PolarHBondContact OD1-N 2.83Å; D71-N102 PolarHBondContact OD1-ND2 3.5Å; D71-N102 PolarHBondContact OD1-OD1 2.03Å; D71-N102 PolarHBondContact OD2-N 3.18Å; D71-N102 PolarHBondContact OD2-ND2 3.14Å
72W92.4Very high85Confident91 Ų9188.7 Ų88.735%0.34543%0.429SS..EExtended strand (participates in β ladder)trans-138.9135167.967.6-89.1000110.3K74 Y98 G99 Q100W72-K74 HydrophobicContact CE3-CD 3.94Å; W72-K74 HydrophobicContact CE3-CG 3.88Å; W72-K74 HydrophobicContact CZ3-CB 4.36Å; W72-K74 HydrophobicContact CZ3-CD 3.78Å; W72-K74 HydrophobicContact CZ3-CG 4Å; W72-Y98 AromaticContact CH2-CD2 3.51Å; W72-Y98 HydrophobicContact CH2-CD2 3.51Å; W72-Y98 AromaticContact CH2-CE2 3.45Å; W72-Y98 HydrophobicContact CH2-CE2 3.45Å; W72-Y98 VanDerWaalsContact CH2-CE2 3.45Å; W72-Y98 AromaticContact CZ3-CD2 3.49Å; W72-Y98 HydrophobicContact CZ3-CD2 3.49Å; W72-Y98 VanDerWaalsContact CZ3-CD2 3.49Å; W72-Y98 AromaticContact CZ3-CE2 3.32Å; W72-Y98 HydrophobicContact CZ3-CE2 3.32Å; W72-G99 CarbonylContact O-C 3.24Å; W72-G99 WeakPolarHBondContact O-CA 3.35Å; W72-Q100 HydrophobicContact CZ2-CB 4.43Å; W72-Q100 HydrophobicContact CZ2-CG 3.86Å; W72-Q100 PolarHBondContact N-O 2.79Å; W72-Q100 PolarHBondContact O-N 3.01Å; W72-Q100 VanDerWaalsContact O-O 3.12Å
73C96.6Very high86.6Confident32 Ų3288.3 Ų88.322%0.21643%0.43CS..EExtended strand (participates in β ladder)trans-139122.1176.6173.90000108.5C123 C155 R156C73-C123 HydrophobicContact CB-CB 3.83Å; C73-C123 WeakPolarHBondContact CB-SG 3.27Å; C73-C123 VanDerWaalsContact SG-CA 3.53Å; C73-C123 WeakPolarHBondContact SG-CB 3.03Å; C73-C123 CovalentContact SG-SG 2.04Å; C73-C123 PolarHBondContact SG-SG 3.33Å; C73-C155 VanDerWaalsContact SG-CB 3.57Å; C73-R156 VanDerWaalsContact SG-CA 3.57Å; C73-R156 PolarHBondContact SG-N 3.18Å; C73-R156 VanDerWaalsContact SG-N 3.45Å
74K97.3Very high88Confident100 Ų10089 Ų8944%0.43543%0.43SS..EExtended strand (participates in β ladder)trans-108.2148.7-174.5-73.7176.2-176.5175.80110.6W72 C97 Y98W72-K74 HydrophobicContact CE3-CD 3.94Å; W72-K74 HydrophobicContact CE3-CG 3.88Å; W72-K74 HydrophobicContact CZ3-CB 4.36Å; W72-K74 HydrophobicContact CZ3-CD 3.78Å; W72-K74 HydrophobicContact CZ3-CG 4Å; K74-C97 WeakPolarHBondContact O-CA 3.44Å; K74-Y98 HydrophobicContact CB-CD1 4.28Å; K74-Y98 HydrophobicContact CB-CE1 3.83Å; K74-Y98 HydrophobicContact CB-CE2 4.37Å; K74-Y98 HydrophobicContact CD-CE1 4.46Å; K74-Y98 HydrophobicContact CD-CE2 4.03Å; K74-Y98 VanDerWaalsContact CD-OH 3.23Å; K74-Y98 WeakPolarHBondContact CD-OH 3.02Å; K74-Y98 PolarHBondContact N-O 2.88Å; K74-Y98 PolarHBondContact O-N 3.48Å
75T98.3Very high89.4Confident36 Ų3692.8 Ų92.822%0.22145%0.448CS..EExtended strand (participates in β ladder)trans-112.9117.9170.2-50.30000107.5R95 F96 V152 C155T75-R95 HydrophobicContact CG2-CB 3.62Å; T75-R95 VanDerWaalsContact CG2-CD 3.42Å; T75-R95 HydrophobicContact CG2-CG 4.02Å; T75-F96 WeakPolarHBondContact CA-O 3.38Å; T75-V152 HydrophobicContact CG2-CG1 4.27Å; T75-C155 VanDerWaalsContact OG1-CB 3.27Å; T75-C155 WeakPolarHBondContact OG1-CB 3.39Å; T75-C155 PolarHBondContact OG1-N 3.32Å; T75-C155 PolarHBondContact OG1-SG 3.31Å
76Q98.2Very high90.7Very high79 Ų7988.6 Ų88.637%0.36945%0.445SS..EExtended strand (participates in β ladder)trans-120.7145.8-179.3-74.2-58.8-58.300111.9R95 F96 Y98Q76-R95 CarbonylContact O-C 3.54Å; Q76-R95 WeakPolarHBondContact O-CA 3.48Å; Q76-R95 VanDerWaalsContact O-CB 3.3Å; Q76-R95 WeakPolarHBondContact O-CB 3.43Å; Q76-F96 HydrophobicContact CB-CD1 4.05Å; Q76-F96 HydrophobicContact CB-CE1 3.46Å; Q76-F96 VanDerWaalsContact CB-CE1 3.46Å; Q76-F96 HydrophobicContact CB-CZ 3.75Å; Q76-F96 PolarHBondContact N-O 3.14Å; Q76-F96 WeakPolarHBondContact O-CD1 3.06Å; Q76-F96 PolarHBondContact O-N 2.02Å; Q76-Y98 HydrophobicContact CB-CE1 4.16Å; Q76-Y98 HydrophobicContact CG-CD1 4.36Å; Q76-Y98 HydrophobicContact CG-CE1 3.42Å; Q76-Y98 VanDerWaalsContact CG-CE1 3.42Å
77P97.8Very high92.1Very high79 Ų7983 Ų8351%0.51342%0.422SS..EExtended strand (participates in β ladder)trans-67.4144.1176.629.6-33.5000111.4I93 N94P77-I93 HydrophobicContact CB-CG2 3.92Å; P77-N94 CarbonylContact C-O 3.59Å; P77-N94 WeakPolarHBondContact CA-O 3.23Å
78L97.3Very high93.5Very high90 Ų9080 Ų8047%0.47142%0.416SS..EExtended strand (participates in β ladder)trans-136.2139.3174.2170.466.8000109.2Q80 I93 N94 F96L78-Q80 PolarHBondContact O-N 3.17Å; L78-I93 WeakPolarHBondContact O-CA 3.29Å; L78-N94 PolarHBondContact N-O 2.78Å; L78-N94 PolarHBondContact O-N 3.12Å; L78-F96 HydrophobicContact CB-CD1 3.93Å
79R97.4Very high94.7Very high185 Ų18581.7 Ų81.770%0.69843%0.43SS*.EExtended strand (participates in β ladder)trans-79.5115.2168.5-62.7-176.574.2176.81.4108.3T91 I92 I93R79-T91 HydrophobicContact CB-CG2 3.91Å; R79-T91 HydrophobicContact CG-CG2 4.45Å; R79-I92 WeakPolarHBondContact CA-O 3.49Å; R79-I93 HydrophobicContact CG-CD1 3.78Å
80Q97.3Very high95.5Very high71 Ų7179.9 Ų79.933%0.33242%0.419SS..EExtended strand (participates in β ladder)trans-111.8131.5177.1177.3-177.9-1.900108.4L78 T91 I92 N94L78-Q80 PolarHBondContact O-N 3.17Å; Q80-T91 WeakPolarHBondContact O-CA 3.26Å; Q80-I92 HydrophobicContact CB-CD1 4.47Å; Q80-I92 HydrophobicContact CB-CG1 4.02Å; Q80-I92 PolarHBondContact N-O 2.84Å; Q80-I92 VanDerWaalsContact O-CG1 3.27Å; Q80-I92 WeakPolarHBondContact O-CG1 3.11Å; Q80-I92 PolarHBondContact O-N 3.14Å; Q80-N94 HydrophobicContact CB-CB 4.27Å; Q80-N94 PolarHBondContact OE1-ND2 3.17Å
81T97.3Very high96.1Very high85 Ų8577.4 Ų77.452%0.52140%0.399SS..EExtended strand (participates in β ladder)trans-89.8130.6173.5-55.10000109.4
82V96.9Very high96.5Very high5 Ų576.5 Ų76.53%0.0339%0.394CS..EExtended strand (participates in β ladder)trans-106.5116.5173.4-1760000107.4S89 R90 I92 L135 K147 I149V82-S89 WeakPolarHBondContact O-CA 3.39Å; V82-R90 PolarHBondContact N-O 3.42Å; V82-R90 PolarHBondContact O-N 2.79Å; V82-I92 HydrophobicContact CG2-CD1 3.64Å; V82-I92 HydrophobicContact CG2-CG1 4Å; V82-I92 HydrophobicContact CG2-CG2 4.41Å; V82-L135 HydrophobicContact CG1-CD1 4.25Å; V82-L135 HydrophobicContact CG1-CD2 4.37Å; V82-K147 HydrophobicContact CG1-CB 4.33Å; V82-K147 HydrophobicContact CG1-CD 3.66Å; V82-K147 HydrophobicContact CG1-CG 4.06Å; V82-I149 HydrophobicContact CG1-CG2 4.38Å; V82-I149 HydrophobicContact CG2-CG2 4.06Å
83S95.3Very high96.7Very high67 Ų6776.2 Ų76.247%0.46940%0.398SS..  trans-117151178.654.70000111S89 K147S83-S89 VanDerWaalsContact CB-OG 3.27Å; S83-S89 WeakPolarHBondContact CB-OG 3.38Å; S83-K147 PolarHBondContact O-NZ 3.03Å
84E95Very high96.7Very high62 Ų6275.3 Ų75.329%0.2939%0.391SS..  trans-148.6144.9172.7-173.5165.9167.500107.5C87 L135 R145E84-C87 HydrophobicContact CB-CB 4.09Å; E84-C87 PolarHBondContact O-N 2.84Å; E84-C87 VanDerWaalsContact O-N 3.14Å; E84-L135 HydrophobicContact CB-CD1 3.54Å; E84-R145 WeakPolarHBondContact OE1-CB 3.34Å; E84-R145 WeakPolarHBondContact OE1-CD 3.12Å; E84-R145 VanDerWaalsContact OE1-CG 3.29Å; E84-R145 WeakPolarHBondContact OE1-CG 3.45Å; E84-R145 WeakPolarHBondContact OE2-CB 3.3Å
85E94.3Very high96.8Very high186 Ų18674.9 Ų74.987%0.86939%0.387SS*.THydrogen-bonded Turntrans-63.2136.1-178.8-68.3177.2-174.700110.4C87E85-C87 PolarHBondContact O-N 2.99Å
86G93.9Very high96.7Very high40 Ų4077.4 Ų77.441%0.41240%0.395SS..THydrogen-bonded Turntrans72.57.4-175.300000114.9C137G86-C137 WeakPolarHBondContact O-CA 3.27Å; G86-C137 WeakPolarHBondContact O-CB 3.29Å
87C96.7Very high96.7Very high18 Ų1875.1 Ų75.112%0.12239%0.388CS..SBendtrans-124.7150.1-178.5-55.40000113.1E84 E85 S89 L135 E136 C137E84-C87 HydrophobicContact CB-CB 4.09Å; E84-C87 PolarHBondContact O-N 2.84Å; E84-C87 VanDerWaalsContact O-N 3.14Å; E85-C87 PolarHBondContact O-N 2.99Å; C87-S89 PolarHBondContact O-N 2.92Å; C87-L135 HydrophobicContact CB-CB 4.05Å; C87-L135 HydrophobicContact CB-CD1 4.37Å; C87-E136 CarbonylContact C-O 3.48Å; C87-E136 WeakPolarHBondContact CA-O 3.38Å; C87-C137 HydrophobicContact CB-CB 3.97Å; C87-C137 WeakPolarHBondContact CB-SG 3.49Å; C87-C137 WeakPolarHBondContact SG-CB 3.09Å; C87-C137 CovalentContact SG-SG 2.03Å; C87-C137 PolarHBondContact SG-SG 3.49Å
88I96.9Very high96.7Very high96 Ų9675.5 Ų75.549%0.49238%0.379SS..  trans-72.6124.2175.2-57.5173.7000109.1E136 P138I88-E136 HydrophobicContact CD1-CB 4.48Å; I88-E136 PolarHBondContact N-O 3.48Å; I88-P138 HydrophobicContact CD1-CG 4.16Å
89S97.1Very high96.6Very high67 Ų6772.7 Ų72.747%0.46937%0.372SS..  trans-66.9137-179.5-69.70000112V82 S83 C87V82-S89 WeakPolarHBondContact O-CA 3.39Å; S83-S89 VanDerWaalsContact CB-OG 3.27Å; S83-S89 WeakPolarHBondContact CB-OG 3.38Å; C87-S89 PolarHBondContact O-N 2.92Å
90R96.1Very high96.5Very high136 Ų13670.1 Ų70.151%0.51337%0.368SS..EExtended strand (participates in β ladder)trans-119.5132.4-178.7-171.5174.2176.7175.34.6111.4V82 Q134 L135V82-R90 PolarHBondContact N-O 3.42Å; V82-R90 PolarHBondContact O-N 2.79Å; R90-Q134 PolarHBondContact NH1-O 3.32Å; R90-L135 HydrophobicContact CB-CD2 3.71Å
91T97.1Very high96.2Very high65 Ų6568.2 Ų68.240%0.39936%0.362SS..EExtended strand (participates in β ladder)trans-86.9131.1173.5-58.80000110.9R79 Q80R79-T91 HydrophobicContact CB-CG2 3.91Å; R79-T91 HydrophobicContact CG-CG2 4.45Å; Q80-T91 WeakPolarHBondContact O-CA 3.26Å
92I96.4Very high95.7Very high16 Ų1665.8 Ų65.88%0.08235%0.346CS..EExtended strand (participates in β ladder)trans-121.3158.1175.562.7171.1000110.5R79 Q80 V82 V133 I149R79-I92 WeakPolarHBondContact CA-O 3.49Å; Q80-I92 HydrophobicContact CB-CD1 4.47Å; Q80-I92 HydrophobicContact CB-CG1 4.02Å; Q80-I92 PolarHBondContact N-O 2.84Å; Q80-I92 VanDerWaalsContact O-CG1 3.27Å; Q80-I92 WeakPolarHBondContact O-CG1 3.11Å; Q80-I92 PolarHBondContact O-N 3.14Å; V82-I92 HydrophobicContact CG2-CD1 3.64Å; V82-I92 HydrophobicContact CG2-CG1 4Å; V82-I92 HydrophobicContact CG2-CG2 4.41Å; I92-V133 HydrophobicContact CG2-CG1 4.46Å; I92-V133 HydrophobicContact CG2-CG2 4.04Å; I92-I149 HydrophobicContact CD1-CD1 3.11Å; I92-I149 HydrophobicContact CD1-CG1 4.41Å
93I96.9Very high95.2Very high86 Ų8669.4 Ų69.444%0.44137%0.371SS..EExtended strand (participates in β ladder)trans-90.4113.2167.6-53.8-56.1000109.3P77 L78 R79 K151P77-I93 HydrophobicContact CB-CG2 3.92Å; L78-I93 WeakPolarHBondContact O-CA 3.29Å; R79-I93 HydrophobicContact CG-CD1 3.78Å; I93-K151 WeakPolarHBondContact O-CE 3.45Å; I93-K151 PolarHBondContact O-NZ 2.99Å
94N97.4Very high94.6Very high13 Ų1368 Ų687%0.0736%0.357CS..EExtended strand (participates in β ladder)trans-107-170.1166.2-155.1-9000109.9P77 L78 Q80 Q150 K151 V152P77-N94 CarbonylContact C-O 3.59Å; P77-N94 WeakPolarHBondContact CA-O 3.23Å; L78-N94 PolarHBondContact N-O 2.78Å; L78-N94 PolarHBondContact O-N 3.12Å; Q80-N94 HydrophobicContact CB-CB 4.27Å; Q80-N94 PolarHBondContact OE1-ND2 3.17Å; N94-Q150 PolarHBondContact ND2-O 2.71Å; N94-K151 VanDerWaalsContact OD1-CA 3.3Å; N94-K151 WeakPolarHBondContact OD1-CA 3.47Å; N94-V152 PolarHBondContact OD1-N 3.05Å
95R98.2Very high94Very high90 Ų9072.1 Ų72.134%0.3437%0.371SS..EExtended strand (participates in β ladder)trans-134.5150.2175.2-62.4176.1-178705.6111.1T75 Q76 V152T75-R95 HydrophobicContact CG2-CB 3.62Å; T75-R95 VanDerWaalsContact CG2-CD 3.42Å; T75-R95 HydrophobicContact CG2-CG 4.02Å; Q76-R95 CarbonylContact O-C 3.54Å; Q76-R95 WeakPolarHBondContact O-CA 3.48Å; Q76-R95 VanDerWaalsContact O-CB 3.3Å; Q76-R95 WeakPolarHBondContact O-CB 3.43Å; R95-V152 HydrophobicContact CB-CB 4.03Å; R95-V152 HydrophobicContact CB-CG1 4.22Å; R95-V152 WeakPolarHBondContact CD-O 3.26Å; R95-V152 PolarHBondContact NH1-O 3.31Å; R95-V152 WeakPolarHBondContact O-CB 3.37Å; R95-V152 WeakPolarHBondContact O-CG2 3.44Å
96F97.8Very high93.3Very high89 Ų8965.3 Ų65.339%0.3934%0.34SS..EExtended strand (participates in β ladder)trans-118.6160.517173.3-79.1000110.7T75 Q76 L78 Y98T75-F96 WeakPolarHBondContact CA-O 3.38Å; Q76-F96 HydrophobicContact CB-CD1 4.05Å; Q76-F96 HydrophobicContact CB-CE1 3.46Å; Q76-F96 VanDerWaalsContact CB-CE1 3.46Å; Q76-F96 HydrophobicContact CB-CZ 3.75Å; Q76-F96 PolarHBondContact N-O 3.14Å; Q76-F96 WeakPolarHBondContact O-CD1 3.06Å; Q76-F96 PolarHBondContact O-N 2.02Å; L78-F96 HydrophobicContact CB-CD1 3.93Å; F96-Y98 HydrophobicContact CD2-CD1 4.14Å; F96-Y98 AromaticContact CE2-CD1 3.48Å; F96-Y98 HydrophobicContact CE2-CD1 3.48Å; F96-Y98 VanDerWaalsContact CE2-CD1 3.48Å; F96-Y98 HydrophobicContact CE2-CE1 4.1Å; F96-Y98 HydrophobicContact CE2-CG 4.27Å; F96-Y98 HydrophobicContact CZ-CD1 4.1Å; F96-Y98 HydrophobicContact CZ-CE1 4.26Å
97C98.3Very high92.7Very high32 Ų3268 Ų6822%0.21635%0.35CS..EExtended strand (participates in β ladder)trans-107.6135-180-55.80000110K74 C155K74-C97 WeakPolarHBondContact O-CA 3.44Å; C97-C155 WeakPolarHBondContact CA-SG 3.34Å; C97-C155 HydrophobicContact CB-CB 3.62Å; C97-C155 WeakPolarHBondContact CB-SG 3.48Å; C97-C155 WeakPolarHBondContact SG-CB 3.3Å; C97-C155 CovalentContact SG-SG 2.02Å; C97-C155 PolarHBondContact SG-SG 3.44Å
98Y97.4Very high91.7Very high87 Ų8773.1 Ų73.134%0.34137%0.367SS..EExtended strand (participates in β ladder)trans-149.3149.7165.673.6-82.1000110.1W72 K74 Q76 F96 C123W72-Y98 AromaticContact CH2-CD2 3.51Å; W72-Y98 HydrophobicContact CH2-CD2 3.51Å; W72-Y98 AromaticContact CH2-CE2 3.45Å; W72-Y98 HydrophobicContact CH2-CE2 3.45Å; W72-Y98 VanDerWaalsContact CH2-CE2 3.45Å; W72-Y98 AromaticContact CZ3-CD2 3.49Å; W72-Y98 HydrophobicContact CZ3-CD2 3.49Å; W72-Y98 VanDerWaalsContact CZ3-CD2 3.49Å; W72-Y98 AromaticContact CZ3-CE2 3.32Å; W72-Y98 HydrophobicContact CZ3-CE2 3.32Å; K74-Y98 HydrophobicContact CB-CD1 4.28Å; K74-Y98 HydrophobicContact CB-CE1 3.83Å; K74-Y98 HydrophobicContact CB-CE2 4.37Å; K74-Y98 HydrophobicContact CD-CE1 4.46Å; K74-Y98 HydrophobicContact CD-CE2 4.03Å; K74-Y98 VanDerWaalsContact CD-OH 3.23Å; K74-Y98 WeakPolarHBondContact CD-OH 3.02Å; K74-Y98 PolarHBondContact N-O 2.88Å; K74-Y98 PolarHBondContact O-N 3.48Å; Q76-Y98 HydrophobicContact CB-CE1 4.16Å; Q76-Y98 HydrophobicContact CG-CD1 4.36Å; Q76-Y98 HydrophobicContact CG-CE1 3.42Å; Q76-Y98 VanDerWaalsContact CG-CE1 3.42Å; F96-Y98 HydrophobicContact CD2-CD1 4.14Å; F96-Y98 AromaticContact CE2-CD1 3.48Å; F96-Y98 HydrophobicContact CE2-CD1 3.48Å; F96-Y98 VanDerWaalsContact CE2-CD1 3.48Å; F96-Y98 HydrophobicContact CE2-CE1 4.1Å; F96-Y98 HydrophobicContact CE2-CG 4.27Å; F96-Y98 HydrophobicContact CZ-CD1 4.1Å; F96-Y98 HydrophobicContact CZ-CE1 4.26Å; Y98-C123 PolarHBondContact O-SG 2.88Å
99G96Very high90.1Very high31 Ų3177.9 Ų77.932%0.3239%0.387SS..EExtended strand (participates in β ladder)trans-179.7175.7-173.200000112.9W72W72-G99 CarbonylContact O-C 3.24Å; W72-G99 WeakPolarHBondContact O-CA 3.35Å
100Q93.6Very high88.2Confident131 Ų13180.8 Ų80.861%0.61240%0.402SS*.EExtended strand (participates in β ladder)trans-120.5119.3167.4-66.9173.4-30.500106.7W72W72-Q100 HydrophobicContact CZ2-CB 4.43Å; W72-Q100 HydrophobicContact CZ2-CG 3.86Å; W72-Q100 PolarHBondContact N-O 2.79Å; W72-Q100 PolarHBondContact O-N 3.01Å; W72-Q100 VanDerWaalsContact O-O 3.12Å
101C91.8Very high86.3Confident30 Ų3083.7 Ų83.720%0.20342%0.418CS..  trans-118.2147.6179.7-560000109D71 A121 C123 C157D71-C101 VanDerWaalsContact OD1-C 3.3Å; D71-C101 VanDerWaalsContact OD1-CA 3.3Å; D71-C101 WeakPolarHBondContact OD1-CA 2.94Å; C101-A121 HydrophobicContact CB-CB 3.91Å; C101-A121 VanDerWaalsContact CB-O 3.3Å; C101-A121 WeakPolarHBondContact CB-O 3.3Å; C101-C123 PolarHBondContact SG-N 2.04Å; C101-C157 VanDerWaalsContact CA-SG 3.59Å; C101-C157 HydrophobicContact CB-CB 3.76Å; C101-C157 WeakPolarHBondContact CB-SG 3.49Å; C101-C157 VanDerWaalsContact SG-CA 3.52Å; C101-C157 WeakPolarHBondContact SG-CB 3.38Å; C101-C157 CovalentContact SG-SG 2.04Å; C101-C157 PolarHBondContact SG-SG 2.95Å
102N87.8Confident84.2Confident34 Ų3490 Ų9018%0.18244%0.439CS..  trans-71.7149.5-179.7-72.7-45.7000111.3K69 D71 F104 A121K69-N102 PolarHBondContact O-ND2 2.84Å; D71-N102 VanDerWaalsContact CG-N 3.33Å; D71-N102 VanDerWaalsContact CG-ND2 3.27Å; D71-N102 WeakPolarHBondContact OD1-CB 3.33Å; D71-N102 PolarHBondContact OD1-N 2.83Å; D71-N102 PolarHBondContact OD1-ND2 3.5Å; D71-N102 PolarHBondContact OD1-OD1 2.03Å; D71-N102 PolarHBondContact OD2-N 3.18Å; D71-N102 PolarHBondContact OD2-ND2 3.14Å; N102-F104 HydrophobicContact CB-CE2 3.74Å; N102-F104 HydrophobicContact CB-CZ 3.72Å; N102-A121 PolarHBondContact O-N 3.38Å
103S86.4Confident82.4Confident81 Ų8198.4 Ų98.457%0.56648%0.479SS*.EExtended strand (participates in β ladder)trans-137.3150.516757.80000109.6S119S103-S119 CarbonylContact C-O 3.47Å; S103-S119 WeakPolarHBondContact CA-O 3.01Å
104F81.2Confident80.6Confident37 Ų37101.1 Ų101.116%0.16249%0.489CS..EExtended strand (participates in β ladder)trans-136.3139.1-175.7-55.2-81000110.4A59 L68 N102 I106 Q118 S119A59-F104 HydrophobicContact CB-CD1 4.47Å; A59-F104 HydrophobicContact CB-CD2 4.01Å; A59-F104 HydrophobicContact CB-CE1 4.18Å; A59-F104 HydrophobicContact CB-CE2 3.68Å; A59-F104 HydrophobicContact CB-CG 4.4Å; A59-F104 HydrophobicContact CB-CZ 3.78Å; L68-F104 HydrophobicContact CD2-CE1 3.38Å; L68-F104 HydrophobicContact CD2-CZ 3.45Å; L68-F104 VanDerWaalsContact CD2-CZ 3.45Å; N102-F104 HydrophobicContact CB-CE2 3.74Å; N102-F104 HydrophobicContact CB-CZ 3.72Å; F104-I106 HydrophobicContact CB-CD1 4.03Å; F104-Q118 WeakPolarHBondContact O-CA 3.27Å; F104-S119 PolarHBondContact N-O 3.3Å; F104-S119 PolarHBondContact O-N 3.33Å
105Y83.6Confident79.3Confident149 Ų149107.6 Ų107.658%0.58452%0.519SS*.EExtended strand (participates in β ladder)trans-126.9120.5167.9178.2-87.8000107.8P107 Q118Y105-P107 HydrophobicContact CD1-CG 4.38Å; Y105-P107 HydrophobicContact CE1-CG 3.91Å; Y105-Q118 HydrophobicContact CD2-CG 3.72Å; Y105-Q118 HydrophobicContact CE2-CG 4.07Å
106I79.1Confident78.3Confident43 Ų43105 Ų10522%0.22152%0.515CS..EExtended strand (participates in β ladder)trans-125.5112.3-179-67.9127.1000108.8V62 F104 R108 F117V62-I106 HydrophobicContact CB-CD1 3.92Å; V62-I106 HydrophobicContact CG1-CB 4.33Å; V62-I106 HydrophobicContact CG1-CD1 3.26Å; V62-I106 HydrophobicContact CG1-CG1 3.47Å; V62-I106 VanDerWaalsContact CG1-CG1 3.47Å; V62-I106 HydrophobicContact CG1-CG2 4.04Å; V62-I106 HydrophobicContact CG2-CD1 4.02Å; F104-I106 HydrophobicContact CB-CD1 4.03Å; I106-R108 PolarHBondContact O-N 2.97Å; I106-F117 HydrophobicContact CB-CB 4.28Å; I106-F117 HydrophobicContact CB-CD1 4.3Å; I106-F117 HydrophobicContact CD1-CD1 3.46Å; I106-F117 VanDerWaalsContact CD1-CD1 3.46Å; I106-F117 HydrophobicContact CD1-CE1 3.85Å; I106-F117 HydrophobicContact CG1-CD1 4.47Å; I106-F117 PolarHBondContact N-O 2.98Å; I106-F117 PolarHBondContact O-N 3.06Å
107P81.4Confident77.3Confident97 Ų97102.5 Ų102.563%0.6350%0.504SS*.PPolyproline II helixtrans-59.8133.9170.5-17.127.6000110.5Y105Y105-P107 HydrophobicContact CD1-CG 4.38Å; Y105-P107 HydrophobicContact CE1-CG 3.91Å
108R74.6Confident76.4Confident125 Ų125105.6 Ų105.647%0.47252%0.515SS..PPolyproline II helixtrans-98.6143169.1-68.8-172.9177-176.55.3109.7I106 E114I106-R108 PolarHBondContact O-N 2.97Å; R108-E114 IonicContact CZ-OE2 3.11Å; R108-E114 IonicContact NH1-OE2 2.75Å; R108-E114 PolarHBondContact NH1-OE2 3.4Å
109H63.7Low75.6Confident196 Ų196102 Ų10291%0.90750%0.503SS*.PPolyproline II helixtrans-86.1125.2174.9-126.672.3000109.6
110V57.6Low75.1Confident129 Ų129102 Ų10278%0.78250%0.498SS*.PPolyproline II helixtrans-57.3130.5-165.1-79.80000116.9
111K55.5Low74.9Confident197 Ų19796.2 Ų96.286%0.85747%0.472SS*.SBend-134.6127.4123.3-72.7-172.4179.8175.70107
112K54.1Low75Confident196 Ų196100.4 Ų100.485%0.85249%0.487SS*.THydrogen-bonded Turntrans-4.9123.4-178.2-78.8177.4170.1-179.20116.8
113E58.6Low75.3Confident194 Ų194100.1 Ų100.191%0.90749%0.487SS*.THydrogen-bonded Turntrans95.8-6160.4-59.4172.4-168.600119.8
114E58.6Low75.8Confident142 Ų14299.8 Ų99.866%0.66448%0.476SS*.PPolyproline II helixtrans-92.5122.7173.2-71.6-166.9178.200113.5R108R108-E114 IonicContact CZ-OE2 3.11Å; R108-E114 IonicContact NH1-OE2 2.75Å; R108-E114 PolarHBondContact NH1-OE2 3.4Å
115E70.5Confident76.5Confident150 Ų150100.9 Ų100.970%0.70149%0.487SS*.PPolyproline II helixtrans-66.8152.4174.8-62.2-177.8165.400112
116S76.6Confident77.1Confident35 Ų3597.7 Ų97.725%0.24548%0.477CS..PPolyproline II helixtrans-50.7144172.657.80000111.3Q118S116-Q118 PolarHBondContact O-N 2.04Å; S116-Q118 PolarHBondContact OG-NE2 3.35Å
117F77Confident77.9Confident37 Ų37101.6 Ų101.616%0.16249%0.492CS..EExtended strand (participates in β ladder)trans-75.5123.9174.1175.6-92.1000110.1E58 I106E58-F117 HydrophobicContact CB-CZ 4.33Å; E58-F117 WeakPolarHBondContact OE2-CE2 3.05Å; I106-F117 HydrophobicContact CB-CB 4.28Å; I106-F117 HydrophobicContact CB-CD1 4.3Å; I106-F117 HydrophobicContact CD1-CD1 3.46Å; I106-F117 VanDerWaalsContact CD1-CD1 3.46Å; I106-F117 HydrophobicContact CD1-CE1 3.85Å; I106-F117 HydrophobicContact CG1-CD1 4.47Å; I106-F117 PolarHBondContact N-O 2.98Å; I106-F117 PolarHBondContact O-N 3.06Å
118Q78.8Confident78.6Confident96 Ų96100.1 Ų100.145%0.44948%0.481SS..EExtended strand (participates in β ladder)trans-130.6128.1178.2-55.8-173.316.800109.2F104 Y105 S116 L162F104-Q118 WeakPolarHBondContact O-CA 3.27Å; Y105-Q118 HydrophobicContact CD2-CG 3.72Å; Y105-Q118 HydrophobicContact CE2-CG 4.07Å; S116-Q118 PolarHBondContact O-N 2.04Å; S116-Q118 PolarHBondContact OG-NE2 3.35Å; Q118-L162 HydrophobicContact CB-CD1 3.49Å; Q118-L162 VanDerWaalsContact CB-CD1 3.49Å
119S80.8Confident79.7Confident11 Ų1196.3 Ų96.38%0.07747%0.472CS..EExtended strand (participates in β ladder)trans-131.5121.6175.8-166.60000108.9S55 S103 F104S55-S119 PolarHBondContact OG-OG 2.87Å; S103-S119 CarbonylContact C-O 3.47Å; S103-S119 WeakPolarHBondContact CA-O 3.01Å; F104-S119 PolarHBondContact N-O 3.3Å; F104-S119 PolarHBondContact O-N 3.33Å
120C86.1Confident81.3Confident33 Ų3390.5 Ų90.522%0.22345%0.453CS..EExtended strand (participates in β ladder)trans-124128.7177-68.20000109.1S159 V160 L162C120-S159 CarbonylContact O-C 3.59Å; C120-S159 WeakPolarHBondContact O-CA 3.43Å; C120-V160 HydrophobicContact CB-CG2 3.93Å; C120-V160 WeakPolarHBondContact O-CG2 3.38Å; C120-V160 PolarHBondContact O-N 2.72Å; C120-L162 HydrophobicContact CB-CD2 4.22Å
121A89.4Confident83Confident9 Ų986.2 Ų86.27%0.07443%0.429CS..EExtended strand (participates in β ladder)trans-110.8142170.700000111.3C101 N102 C157 M158C101-A121 HydrophobicContact CB-CB 3.91Å; C101-A121 VanDerWaalsContact CB-O 3.3Å; C101-A121 WeakPolarHBondContact CB-O 3.3Å; N102-A121 PolarHBondContact O-N 3.38Å; A121-C157 HydrophobicContact CB-CB 4.43Å; A121-M158 CarbonylContact C-O 3.48Å; A121-M158 VanDerWaalsContact CA-O 3.26Å; A121-M158 WeakPolarHBondContact CA-O 3.19Å
122F92.8Very high85Confident118 Ų11881.1 Ų81.152%0.51841%0.414SS..EExtended strand (participates in β ladder)trans-122.1144.6174-60.7-66.5000111.1K124 M158 V160F122-K124 PolarHBondContact O-N 2.86Å; F122-K124 VanDerWaalsContact O-N 3.09Å; F122-M158 PolarHBondContact N-O 2.78Å; F122-M158 PolarHBondContact O-N 3.36Å; F122-M158 VanDerWaalsContact O-N 3.07Å; F122-V160 HydrophobicContact CD2-CB 4.2Å; F122-V160 HydrophobicContact CD2-CG1 3.49Å; F122-V160 VanDerWaalsContact CD2-CG1 3.49Å; F122-V160 HydrophobicContact CD2-CG2 3.68Å; F122-V160 HydrophobicContact CE2-CB 4.15Å; F122-V160 HydrophobicContact CE2-CG1 3.86Å; F122-V160 HydrophobicContact CE2-CG2 3.3Å; F122-V160 HydrophobicContact CZ-CG2 4.33Å
123C95.6Very high87Confident27 Ų2772.2 Ų72.218%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-76.495.9172.8179.40000109C73 Y98 C101C73-C123 HydrophobicContact CB-CB 3.83Å; C73-C123 WeakPolarHBondContact CB-SG 3.27Å; C73-C123 VanDerWaalsContact SG-CA 3.53Å; C73-C123 WeakPolarHBondContact SG-CB 3.03Å; C73-C123 CovalentContact SG-SG 2.04Å; C73-C123 PolarHBondContact SG-SG 3.33Å; Y98-C123 PolarHBondContact O-SG 2.88Å; C101-C123 PolarHBondContact SG-N 2.04Å
124K95.4Very high88.8Confident75 Ų7567.8 Ų67.833%0.32636%0.356SS..EExtended strand (participates in β ladder)trans-128.1166.4-175.570.4178.9179.5-177.20112.1F122 H126 C155 R156 M158F122-K124 PolarHBondContact O-N 2.86Å; F122-K124 VanDerWaalsContact O-N 3.09Å; K124-H126 PolarHBondContact O-N 3.45Å; K124-H126 VanDerWaalsContact O-N 3.17Å; K124-C155 VanDerWaalsContact O-CA 3.32Å; K124-C155 WeakPolarHBondContact O-CA 3.45Å; K124-R156 PolarHBondContact N-O 3.46Å; K124-R156 PolarHBondContact O-N 2.95Å; K124-R156 VanDerWaalsContact O-N 3.12Å; K124-M158 HydrophobicContact CD-CB 4.45Å; K124-M158 HydrophobicContact CG-CB 4.21Å; K124-M158 HydrophobicContact CG-CG 4.47Å; K124-M158 HydrophobicContact CG-SD 4.03Å
125P96.9Very high90.7Very high60 Ų6061.1 Ų61.139%0.3933%0.325SS..EExtended strand (participates in β ladder)trans-59.2119.1176.7-24.435000111.5V128 V152P125-V128 HydrophobicContact CB-CG2 3.61Å; P125-V152 HydrophobicContact CB-CG1 4.2Å; P125-V152 HydrophobicContact CB-CG2 4.26Å; P125-V152 HydrophobicContact CG-CG1 4.4Å; P125-V152 HydrophobicContact CG-CG2 3.99Å
126H95.2Very high92Very high82 Ų8260.4 Ų60.438%0.3832%0.322SS..EExtended strand (participates in β ladder)trans-87.3-35.7173.2174.3-104.4000111.3K124 Q154 R156 M158K124-H126 PolarHBondContact O-N 3.45Å; K124-H126 VanDerWaalsContact O-N 3.17Å; H126-Q154 PolarHBondContact N-O 2.96Å; H126-R156 HydrophobicContact CB-CB 4.04Å; H126-R156 HydrophobicContact CB-CG 3.91Å; H126-R156 PolarHBondContact CE1-NH1 3.28Å; H126-R156 PolarHBondContact NE2-NH1 2.81Å; H126-M158 HydrophobicContact CB-SD 4.2Å
127K96.4Very high93Very high125 Ų12558.8 Ų58.854%0.54331%0.31SS..EExtended strand (participates in β ladder)trans-131.7123.6176.7-169.5170.1-174.6170.40110.2K153 Q154K127-K153 HydrophobicContact CB-CB 4.21Å; K127-K153 HydrophobicContact CG-CB 4.19Å; K127-K153 WeakPolarHBondContact O-CB 3.33Å; K127-K153 PolarHBondContact O-N 2.78Å; K127-Q154 HydrophobicContact CB-CB 4.21Å; K127-Q154 PolarHBondContact N-O 2.9Å; K127-Q154 VanDerWaalsContact N-O 3.11Å; K127-Q154 PolarHBondContact O-N 3.37Å
128V97.3Very high93.9Very high66 Ų6661.6 Ų61.640%0.433%0.332SS..EExtended strand (participates in β ladder)trans-121.3143.4175.8-175.80000108.1P125 Q150 K151P125-V128 HydrophobicContact CB-CG2 3.61Å; V128-Q150 HydrophobicContact CG1-CB 3.88Å; V128-Q150 HydrophobicContact CG1-CG 4.22Å; V128-K151 WeakPolarHBondContact CA-O 3.47Å
129T97Very high94.6Very high45 Ų4565.3 Ų65.328%0.27635%0.35SS..EExtended strand (participates in β ladder)trans-127.9143.6173.654.60000109.2K151 K153T129-K151 PolarHBondContact N-O 2.86Å; T129-K151 PolarHBondContact O-N 2.68Å; T129-K151 PolarHBondContact OG1-O 3.33Å; T129-K153 HydrophobicContact CG2-CD 4.43Å; T129-K153 HydrophobicContact CG2-CG 3.73Å; T129-K153 WeakPolarHBondContact OG1-CE 3.12Å
130S96.3Very high95.3Very high73 Ų7367.5 Ų67.551%0.5136%0.36SS..EExtended strand (participates in β ladder)trans-78.6139167.4-59.40000110.6K148 I149S130-K148 VanDerWaalsContact OG-CE 3.26Å; S130-K148 WeakPolarHBondContact OG-CE 3.32Å; S130-I149 WeakPolarHBondContact CA-O 3.12Å
131S95Very high95.7Very high40 Ų4073.2 Ų73.228%0.2839%0.388SS..EExtended strand (participates in β ladder)trans-127.8138.4170.7-175.60000107.8I149S131-I149 PolarHBondContact N-O 3.42Å; S131-I149 WeakPolarHBondContact O-CG1 3.48Å; S131-I149 PolarHBondContact O-N 3.39Å
132T96.9Very high95.9Very high89 Ų8975.5 Ų75.555%0.54640%0.402SS..EExtended strand (participates in β ladder)trans-93.2129.4172.2-53.20000108.2L146T132-L146 HydrophobicContact CG2-CB 3.84Å; T132-L146 HydrophobicContact CG2-CD2 4.08Å; T132-L146 HydrophobicContact CG2-CG 4.39Å
133V96.6Very high96.1Very high10 Ų1073.6 Ų73.66%0.06140%0.402CS..EExtended strand (participates in β ladder)trans-111.9122.2174.6177.40000107.3I92 L135 K147 I149I92-V133 HydrophobicContact CG2-CG1 4.46Å; I92-V133 HydrophobicContact CG2-CG2 4.04Å; V133-L135 HydrophobicContact CG1-CD2 4.06Å; V133-K147 PolarHBondContact N-O 3.41Å; V133-K147 PolarHBondContact O-N 3.09Å; V133-I149 HydrophobicContact CG2-CD1 3.52Å; V133-I149 HydrophobicContact CG2-CG1 3.89Å
134Q96.6Very high96.1Very high100 Ų10076.2 Ų76.247%0.46741%0.41SS..EExtended strand (participates in β ladder)trans-81.8126.9169-172.8175.4-9.700109.2R90 F144 R145 L146R90-Q134 PolarHBondContact NH1-O 3.32Å; Q134-F144 HydrophobicContact CG-CB 4.12Å; Q134-F144 HydrophobicContact CG-CD2 4.31Å; Q134-R145 CarbonylContact C-O 3.45Å; Q134-R145 WeakPolarHBondContact CA-O 3.39Å; Q134-L146 HydrophobicContact CB-CD2 3.76Å; Q134-L146 HydrophobicContact CG-CD2 3.91Å
135L97.4Very high96.1Very high2 Ų277.4 Ų77.41%0.0141%0.413CS..EExtended strand (participates in β ladder)trans-105.6144.2171.3-58.9178000108.7V82 E84 C87 R90 V133 F144 R145 K147V82-L135 HydrophobicContact CG1-CD1 4.25Å; V82-L135 HydrophobicContact CG1-CD2 4.37Å; E84-L135 HydrophobicContact CB-CD1 3.54Å; C87-L135 HydrophobicContact CB-CB 4.05Å; C87-L135 HydrophobicContact CB-CD1 4.37Å; R90-L135 HydrophobicContact CB-CD2 3.71Å; V133-L135 HydrophobicContact CG1-CD2 4.06Å; L135-F144 CarbonylContact O-C 3.58Å; L135-F144 WeakPolarHBondContact O-CA 3.46Å; L135-F144 WeakPolarHBondContact O-CB 3.3Å; L135-R145 PolarHBondContact N-O 3.18Å; L135-R145 PolarHBondContact O-N 2.96Å; L135-K147 HydrophobicContact CD1-CB 4.47Å; L135-K147 HydrophobicContact CD1-CD 4.37Å
136E97.6Very high96.1Very high136 Ų13679.7 Ų79.764%0.63642%0.421SS*.EExtended strand (participates in β ladder)trans-91.2130.6175.9-70.4168.3-157.600108.8C87 I88C87-E136 CarbonylContact C-O 3.48Å; C87-E136 WeakPolarHBondContact CA-O 3.38Å; I88-E136 HydrophobicContact CD1-CB 4.48Å; I88-E136 PolarHBondContact N-O 3.48Å
137C97.1Very high96.1Very high0 Ų079.4 Ų79.40%042%0.419CS..  trans-133.583.2-172.8-43.40000109.2G86 C87 E139 L140 P143 R145G86-C137 WeakPolarHBondContact O-CA 3.27Å; G86-C137 WeakPolarHBondContact O-CB 3.29Å; C87-C137 HydrophobicContact CB-CB 3.97Å; C87-C137 WeakPolarHBondContact CB-SG 3.49Å; C87-C137 WeakPolarHBondContact SG-CB 3.09Å; C87-C137 CovalentContact SG-SG 2.03Å; C87-C137 PolarHBondContact SG-SG 3.49Å; C137-E139 PolarHBondContact O-N 3.16Å; C137-E139 VanDerWaalsContact O-N 3.14Å; C137-L140 HydrophobicContact CB-CB 3.97Å; C137-L140 HydrophobicContact CB-CD1 3.73Å; C137-L140 HydrophobicContact CB-CG 3.97Å; C137-L140 PolarHBondContact O-N 2.96Å; C137-P143 PolarHBondContact N-O 2.81Å; C137-P143 CarbonylContact O-C 3.47Å; C137-P143 VanDerWaalsContact O-CA 3.25Å; C137-P143 WeakPolarHBondContact O-CA 3.07Å; C137-R145 VanDerWaalsContact SG-CG 3.52Å; C137-R145 PolarHBondContact SG-N 3.07Å
138P96.3Very high96.1Very high97 Ų9780.9 Ų80.963%0.6343%0.425SS*.THydrogen-bonded Turntrans-60.4-26.6-170.5-24.434.2000114.6I88I88-P138 HydrophobicContact CD1-CG 4.16Å
139E94.7Very high96Very high174 Ų17478.4 Ų78.481%0.81341%0.409SS*.THydrogen-bonded Turntrans-95.70.7-175.2-60.8179-179.700113.2C137C137-E139 PolarHBondContact O-N 3.16Å; C137-E139 VanDerWaalsContact O-N 3.14Å
140L94.4Very high96Very high56 Ų5683.3 Ų83.329%0.29343%0.429SS..SBendtrans-110.2154.5-178.5-60.7-177.5000111.6C137 P142 P143 R145C137-L140 HydrophobicContact CB-CB 3.97Å; C137-L140 HydrophobicContact CB-CD1 3.73Å; C137-L140 HydrophobicContact CB-CG 3.97Å; C137-L140 PolarHBondContact O-N 2.96Å; L140-P142 CarbonylContact C-O 3.51Å; L140-P142 CarbonylContact O-C 3.56Å; L140-P142 VanDerWaalsContact O-C 3.24Å; L140-P143 VanDerWaalsContact O-CA 3.25Å; L140-P143 WeakPolarHBondContact O-CA 3.03Å; L140-R145 HydrophobicContact CD1-CG 4.21Å
141D94.1Very high96Very high153 Ų15381.7 Ų81.782%0.81841%0.413SS*.SBendtrans-117.8116.8168.1-173.829.8000109.8
142P94.2Very high96.2Very high57 Ų5780.7 Ų80.737%0.3741%0.405SS..SBendcis-68.8159-2.630.9-36.5000112.7L140 F144L140-P142 CarbonylContact C-O 3.51Å; L140-P142 CarbonylContact O-C 3.56Å; L140-P142 VanDerWaalsContact O-C 3.24Å; P142-F144 HydrophobicContact CB-CD1 4.04Å; P142-F144 HydrophobicContact CB-CE1 3.75Å; P142-F144 HydrophobicContact CB-CZ 4.39Å; P142-F144 HydrophobicContact CG-CE1 4.23Å; P142-F144 HydrophobicContact CG-CZ 4.42Å; P142-F144 PolarHBondContact O-N 3.41Å
143P96.2Very high96.2Very high78 Ų7881.3 Ų81.351%0.50640%0.4SS..SBendtrans-76.828.9-172.932.8-37.9000114C137 L140C137-P143 PolarHBondContact N-O 2.81Å; C137-P143 CarbonylContact O-C 3.47Å; C137-P143 VanDerWaalsContact O-CA 3.25Å; C137-P143 WeakPolarHBondContact O-CA 3.07Å; L140-P143 VanDerWaalsContact O-CA 3.25Å; L140-P143 WeakPolarHBondContact O-CA 3.03Å
144F96.3Very high96.2Very high82 Ų8284.2 Ų84.236%0.3641%0.413SS..EExtended strand (participates in β ladder)trans-152.1153.8177.467.9-88.4000111.9Q134 L135 P142 L146Q134-F144 HydrophobicContact CG-CB 4.12Å; Q134-F144 HydrophobicContact CG-CD2 4.31Å; L135-F144 CarbonylContact O-C 3.58Å; L135-F144 WeakPolarHBondContact O-CA 3.46Å; L135-F144 WeakPolarHBondContact O-CB 3.3Å; P142-F144 HydrophobicContact CB-CD1 4.04Å; P142-F144 HydrophobicContact CB-CE1 3.75Å; P142-F144 HydrophobicContact CB-CZ 4.39Å; P142-F144 HydrophobicContact CG-CE1 4.23Å; P142-F144 HydrophobicContact CG-CZ 4.42Å; P142-F144 PolarHBondContact O-N 3.41Å; F144-L146 HydrophobicContact CD2-CD2 4.38Å; F144-L146 HydrophobicContact CD2-CG 4.28Å; F144-L146 HydrophobicContact CE2-CG 4.24Å
145R96.2Very high96.2Very high101 Ų10179.8 Ų79.838%0.38139%0.393SS..EExtended strand (participates in β ladder)trans-126.8142.8171.8-70.1-71.4-177.6-169.7-1.9110.9E84 Q134 L135 C137 L140E84-R145 WeakPolarHBondContact OE1-CB 3.34Å; E84-R145 WeakPolarHBondContact OE1-CD 3.12Å; E84-R145 VanDerWaalsContact OE1-CG 3.29Å; E84-R145 WeakPolarHBondContact OE1-CG 3.45Å; E84-R145 WeakPolarHBondContact OE2-CB 3.3Å; Q134-R145 CarbonylContact C-O 3.45Å; Q134-R145 WeakPolarHBondContact CA-O 3.39Å; L135-R145 PolarHBondContact N-O 3.18Å; L135-R145 PolarHBondContact O-N 2.96Å; C137-R145 VanDerWaalsContact SG-CG 3.52Å; C137-R145 PolarHBondContact SG-N 3.07Å; L140-R145 HydrophobicContact CD1-CG 4.21Å
146L95.9Very high96.1Very high107 Ų10785.1 Ų85.156%0.5641%0.413SS*.EExtended strand (participates in β ladder)trans-105.4109.4178-65-179.9000109.4T132 Q134 F144T132-L146 HydrophobicContact CG2-CB 3.84Å; T132-L146 HydrophobicContact CG2-CD2 4.08Å; T132-L146 HydrophobicContact CG2-CG 4.39Å; Q134-L146 HydrophobicContact CB-CD2 3.76Å; Q134-L146 HydrophobicContact CG-CD2 3.91Å; F144-L146 HydrophobicContact CD2-CD2 4.38Å; F144-L146 HydrophobicContact CD2-CG 4.28Å; F144-L146 HydrophobicContact CE2-CG 4.24Å
147K95.4Very high95.9Very high77 Ų7779.3 Ų79.334%0.33539%0.387SS..EExtended strand (participates in β ladder)trans-104.4121-179.1-168149.1178.61660111.2V82 S83 V133 L135 I149V82-K147 HydrophobicContact CG1-CB 4.33Å; V82-K147 HydrophobicContact CG1-CD 3.66Å; V82-K147 HydrophobicContact CG1-CG 4.06Å; S83-K147 PolarHBondContact O-NZ 3.03Å; V133-K147 PolarHBondContact N-O 3.41Å; V133-K147 PolarHBondContact O-N 3.09Å; L135-K147 HydrophobicContact CD1-CB 4.47Å; L135-K147 HydrophobicContact CD1-CD 4.37Å; K147-I149 HydrophobicContact CG-CG2 4.49Å
148K96.3Very high95.4Very high155 Ų15582.4 Ų82.467%0.67440%0.403SS*.EExtended strand (participates in β ladder)trans-83.1120.8175.3-163.8176.6-177.11760109.5S130S130-K148 VanDerWaalsContact OG-CE 3.26Å; S130-K148 WeakPolarHBondContact OG-CE 3.32Å
149I96Very high94.9Very high14 Ų1480.8 Ų80.87%0.07239%0.394CS..EExtended strand (participates in β ladder)trans-116.5149.8179.755.1158.1000110.5V82 I92 S130 S131 V133 K147 K151V82-I149 HydrophobicContact CG1-CG2 4.38Å; V82-I149 HydrophobicContact CG2-CG2 4.06Å; I92-I149 HydrophobicContact CD1-CD1 3.11Å; I92-I149 HydrophobicContact CD1-CG1 4.41Å; S130-I149 WeakPolarHBondContact CA-O 3.12Å; S131-I149 PolarHBondContact N-O 3.42Å; S131-I149 WeakPolarHBondContact O-CG1 3.48Å; S131-I149 PolarHBondContact O-N 3.39Å; V133-I149 HydrophobicContact CG2-CD1 3.52Å; V133-I149 HydrophobicContact CG2-CG1 3.89Å; K147-I149 HydrophobicContact CG-CG2 4.49Å; I149-K151 HydrophobicContact CD1-CD 4.1Å; I149-K151 HydrophobicContact CD1-CG 3.85Å; I149-K151 HydrophobicContact CG1-CG 4.42Å
150Q96.2Very high94.2Very high148 Ų14874.3 Ų74.369%0.69237%0.366SS*.EExtended strand (participates in β ladder)trans-88.5123.5169.7-71.3-174.9-26.400110.1N94 V128N94-Q150 PolarHBondContact ND2-O 2.71Å; V128-Q150 HydrophobicContact CG1-CB 3.88Å; V128-Q150 HydrophobicContact CG1-CG 4.22Å
151K96.9Very high92.9Very high39 Ų3978 Ų7817%0.1739%0.386CS..EExtended strand (participates in β ladder)trans-106.8121.8174.3-64.6-162.2113.2170.80111I93 N94 V128 T129 I149 K153I93-K151 WeakPolarHBondContact O-CE 3.45Å; I93-K151 PolarHBondContact O-NZ 2.99Å; N94-K151 VanDerWaalsContact OD1-CA 3.3Å; N94-K151 WeakPolarHBondContact OD1-CA 3.47Å; V128-K151 WeakPolarHBondContact CA-O 3.47Å; T129-K151 PolarHBondContact N-O 2.86Å; T129-K151 PolarHBondContact O-N 2.68Å; T129-K151 PolarHBondContact OG1-O 3.33Å; I149-K151 HydrophobicContact CD1-CD 4.1Å; I149-K151 HydrophobicContact CD1-CG 3.85Å; I149-K151 HydrophobicContact CG1-CG 4.42Å; K151-K153 PolarHBondContact O-N 3.01Å
152V98.2Very high91.5Very high19 Ų1973.4 Ų73.412%0.11536%0.361CS..EExtended strand (participates in β ladder)trans-72.2127.9171.6178.80000108.6T75 N94 R95 P125T75-V152 HydrophobicContact CG2-CG1 4.27Å; N94-V152 PolarHBondContact OD1-N 3.05Å; R95-V152 HydrophobicContact CB-CB 4.03Å; R95-V152 HydrophobicContact CB-CG1 4.22Å; R95-V152 WeakPolarHBondContact CD-O 3.26Å; R95-V152 PolarHBondContact NH1-O 3.31Å; R95-V152 WeakPolarHBondContact O-CB 3.37Å; R95-V152 WeakPolarHBondContact O-CG2 3.44Å; P125-V152 HydrophobicContact CB-CG1 4.2Å; P125-V152 HydrophobicContact CB-CG2 4.26Å; P125-V152 HydrophobicContact CG-CG1 4.4Å; P125-V152 HydrophobicContact CG-CG2 3.99Å
153K97.4Very high89.8Confident102 Ų10277.3 Ų77.344%0.44338%0.379SS..EExtended strand (participates in β ladder)trans-103.5-41176.7-67-66.9-177.61680111.9K127 T129 K151K127-K153 HydrophobicContact CB-CB 4.21Å; K127-K153 HydrophobicContact CG-CB 4.19Å; K127-K153 WeakPolarHBondContact O-CB 3.33Å; K127-K153 PolarHBondContact O-N 2.78Å; T129-K153 HydrophobicContact CG2-CD 4.43Å; T129-K153 HydrophobicContact CG2-CG 3.73Å; T129-K153 WeakPolarHBondContact OG1-CE 3.12Å; K151-K153 PolarHBondContact O-N 3.01Å
154Q97Very high87.6Confident72 Ų7280.1 Ų80.134%0.33639%0.39SS..EExtended strand (participates in β ladder)trans-150.9142.6-176.7-172.9176.117.100110.5H126 K127H126-Q154 PolarHBondContact N-O 2.96Å; K127-Q154 HydrophobicContact CB-CB 4.21Å; K127-Q154 PolarHBondContact N-O 2.9Å; K127-Q154 VanDerWaalsContact N-O 3.11Å; K127-Q154 PolarHBondContact O-N 3.37Å
155C97Very high85.3Confident6 Ų680.8 Ų80.84%0.04140%0.404CS..EExtended strand (participates in β ladder)trans-113.2148.9173.5-49.10000109.9C73 T75 C97 K124C73-C155 VanDerWaalsContact SG-CB 3.57Å; T75-C155 VanDerWaalsContact OG1-CB 3.27Å; T75-C155 WeakPolarHBondContact OG1-CB 3.39Å; T75-C155 PolarHBondContact OG1-N 3.32Å; T75-C155 PolarHBondContact OG1-SG 3.31Å; C97-C155 WeakPolarHBondContact CA-SG 3.34Å; C97-C155 HydrophobicContact CB-CB 3.62Å; C97-C155 WeakPolarHBondContact CB-SG 3.48Å; C97-C155 WeakPolarHBondContact SG-CB 3.3Å; C97-C155 CovalentContact SG-SG 2.02Å; C97-C155 PolarHBondContact SG-SG 3.44Å; K124-C155 VanDerWaalsContact O-CA 3.32Å; K124-C155 WeakPolarHBondContact O-CA 3.45Å
156R94.7Very high82.8Confident114 Ų11479.5 Ų79.543%0.4342%0.423SS..EExtended strand (participates in β ladder)trans-146.8157.3172.3-68-173.8174.2168.7-11.6110.2C73 K124 H126 M158C73-R156 VanDerWaalsContact SG-CA 3.57Å; C73-R156 PolarHBondContact SG-N 3.18Å; C73-R156 VanDerWaalsContact SG-N 3.45Å; K124-R156 PolarHBondContact N-O 3.46Å; K124-R156 PolarHBondContact O-N 2.95Å; K124-R156 VanDerWaalsContact O-N 3.12Å; H126-R156 HydrophobicContact CB-CB 4.04Å; H126-R156 HydrophobicContact CB-CG 3.91Å; H126-R156 PolarHBondContact CE1-NH1 3.28Å; H126-R156 PolarHBondContact NE2-NH1 2.81Å; R156-M158 HydrophobicContact CB-CG 4.27Å; R156-M158 PolarHBondContact O-N 2.87Å
157C93Very high80.1Confident14 Ų1483.9 Ų83.910%0.09544%0.438CS..EExtended strand (participates in β ladder)trans-68.8121.4163.6-69.10000108.5L53 C101 A121L53-C157 HydrophobicContact CD1-CB 4.13Å; C101-C157 VanDerWaalsContact CA-SG 3.59Å; C101-C157 HydrophobicContact CB-CB 3.76Å; C101-C157 WeakPolarHBondContact CB-SG 3.49Å; C101-C157 VanDerWaalsContact SG-CA 3.52Å; C101-C157 WeakPolarHBondContact SG-CB 3.38Å; C101-C157 CovalentContact SG-SG 2.04Å; C101-C157 PolarHBondContact SG-SG 2.95Å; A121-C157 HydrophobicContact CB-CB 4.43Å
158M88.1Confident77.2Confident65 Ų6592.1 Ų92.132%0.3248%0.484SS..EExtended strand (participates in β ladder)trans-134.5137.7-176.3-66.9179.770.700109.4A121 F122 K124 H126 R156A121-M158 CarbonylContact C-O 3.48Å; A121-M158 VanDerWaalsContact CA-O 3.26Å; A121-M158 WeakPolarHBondContact CA-O 3.19Å; F122-M158 PolarHBondContact N-O 2.78Å; F122-M158 PolarHBondContact O-N 3.36Å; F122-M158 VanDerWaalsContact O-N 3.07Å; K124-M158 HydrophobicContact CD-CB 4.45Å; K124-M158 HydrophobicContact CG-CB 4.21Å; K124-M158 HydrophobicContact CG-CG 4.47Å; K124-M158 HydrophobicContact CG-SD 4.03Å; H126-M158 HydrophobicContact CB-SD 4.2Å; R156-M158 HydrophobicContact CB-CG 4.27Å; R156-M158 PolarHBondContact O-N 2.87Å
159S84.9Confident76.2Confident63 Ų6389 Ų8944%0.44147%0.474SS..EExtended strand (participates in β ladder)trans-63.6148.9176.549.10000111.7C120C120-S159 CarbonylContact O-C 3.59Å; C120-S159 WeakPolarHBondContact O-CA 3.43Å
160V79.5Confident75.2Confident39 Ų3992.9 Ų92.924%0.23650%0.495CS..EExtended strand (participates in β ladder)trans-113.9145.1166.6-73.80000110.4C120 F122 L162C120-V160 HydrophobicContact CB-CG2 3.93Å; C120-V160 WeakPolarHBondContact O-CG2 3.38Å; C120-V160 PolarHBondContact O-N 2.72Å; F122-V160 HydrophobicContact CD2-CB 4.2Å; F122-V160 HydrophobicContact CD2-CG1 3.49Å; F122-V160 VanDerWaalsContact CD2-CG1 3.49Å; F122-V160 HydrophobicContact CD2-CG2 3.68Å; F122-V160 HydrophobicContact CE2-CB 4.15Å; F122-V160 HydrophobicContact CE2-CG1 3.86Å; F122-V160 HydrophobicContact CE2-CG2 3.3Å; F122-V160 HydrophobicContact CZ-CG2 4.33Å; V160-L162 HydrophobicContact CG2-CD2 4.23Å; V160-L162 PolarHBondContact O-N 3.23Å
161N68.1Low74Confident132 Ų13289.8 Ų89.871%0.70648%0.484SS*.  trans-81.4112.5169.5-67.9-28000108N163 N164N161-N163 PolarHBondContact O-N 3.45Å; N161-N164 PolarHBondContact O-N 3.06Å
162L63.8Low72.7Confident58 Ų5892.8 Ų92.830%0.30450%0.503SS..G310 helixtrans-68.3-17.1-178.8-64.1168.7000112.6Q118 C120 V160 N164 S165Q118-L162 HydrophobicContact CB-CD1 3.49Å; Q118-L162 VanDerWaalsContact CB-CD1 3.49Å; C120-L162 HydrophobicContact CB-CD2 4.22Å; V160-L162 HydrophobicContact CG2-CD2 4.23Å; V160-L162 PolarHBondContact O-N 3.23Å; L162-N164 PolarHBondContact O-N 3.47Å; L162-S165 PolarHBondContact O-N 2.75Å; L162-S165 PolarHBondContact O-OG 3Å
163N57.9Low71.1Confident138 Ų13897.4 Ų97.474%0.73853%0.527SS*.G310 helixtrans-68.7-13.2178.6-6519.1000114.5N161N161-N163 PolarHBondContact O-N 3.45Å
164N50.5Low69.3Low137 Ų13797.1 Ų97.173%0.73353%0.533SS*.G310 helixtrans-104.89.4-178.1-84.618.9000114.2N161 L162 G166N161-N164 PolarHBondContact O-N 3.06Å; L162-N164 PolarHBondContact O-N 3.47Å; N164-G166 PolarHBondContact O-N 3.07Å
165S48.3Very low67.3Low96 Ų9698.9 Ų98.967%0.67155%0.547SS*.THydrogen-bonded Turntrans-72.72.5-174-42.10000114.5L162L162-S165 PolarHBondContact O-N 2.75Å; L162-S165 PolarHBondContact O-OG 3Å
166G44.7Very low65.1Low75 Ų75106.1 Ų106.177%0.77359%0.586SS**THydrogen-bonded Turntrans-102.413.1-176.700000116.2N164N164-G166 PolarHBondContact O-N 3.07Å
167K37.7Very low62.6Low199 Ų199105.4 Ų105.487%0.86560%0.599SS**  trans-13487.2170.7-78.7-173.8-180178.70110.3
168L34.6Very low59.8Low249 Ų249113.7 Ų113.7100%1.30465%0.645SS**  trans-121.40148.8-146.299.8000107.6

Retrieved 168 of 168 residues in 241.6 ms (Link to these results)