A0A096MQV1_PAPAN Loading...

Dynein axonemal assembly factor 6

AlphaFold DB , UniProt , Accession A0A096MQV1, Species PAPAN (Papio anubis, Olive baboon), Gene DNAAF6, Length 209 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
1M36.3Very low39.5Very low229 Ų229162.2 Ų162.2100%1.12885%0.845SS**  0123.20-81.2167.6170.800106.1
2E35.9Very low39.5Very low192 Ų192163.5 Ų163.590%0.89784%0.844SS**  trans60.7139.2172.8-74.814792.600116.3
3S37.8Very low40Very low111 Ų111159.8 Ų159.878%0.77683%0.834SS**  cis-150.6131.331.943.70000111.1
4E39.8Very low40Very low183 Ų183162.4 Ų162.486%0.85584%0.835SS**  trans-81.1124.9173.3-155171.9123.100108.6
5N41.1Very low40.2Very low150 Ų150160.1 Ų160.180%0.80283%0.825SS**  trans-78.3117.6173.7-102.5-11.6000108.8
6M43.3Very low40.4Very low159 Ų159161.4 Ų161.478%0.78383%0.829SS**  trans-110.5101.1163.1-78.9176.282.600108.3S8M6-S8 PolarHBondContact O-N 3.06Å
7D37.3Very low40.3Very low152 Ų152159.8 Ų159.881%0.81382%0.823SS**  trans-70.3118.3164-76.3-62.6000108.5
8S42.5Very low40.6Very low112 Ų112161.1 Ų161.178%0.78382%0.822SS**  trans-99.3101.1174.4-52.60000108M6 N10M6-S8 PolarHBondContact O-N 3.06Å; S8-N10 PolarHBondContact O-N 2.71Å
9E40.3Very low40.9Very low181 Ų181160.9 Ų160.985%0.84682%0.817SS**  trans-69.4109.9170.7-73.5-171.2125.100109.5M11E9-M11 PolarHBondContact O-N 2.83Å
10N38.2Very low41.7Very low148 Ų148157.7 Ų157.779%0.79181%0.81SS**  trans-78.798.6171.7-173.123.2000108.6S8 E12S8-N10 PolarHBondContact O-N 2.71Å; N10-E12 PolarHBondContact O-N 3.1Å
11M42.4Very low42.3Very low167 Ų167155.1 Ų155.182%0.82380%0.801SS**  trans-76.3104166.6-81.9-171.9177.800108.9E9 T13E9-M11 PolarHBondContact O-N 2.83Å; M11-T13 PolarHBondContact O-N 3.18Å
12E39Very low43.4Very low178 Ų178147.9 Ų147.983%0.83277%0.774SS**  trans-62.2100.8171.8-164.6169.6123.100109.5N10 K14N10-E12 PolarHBondContact O-N 3.1Å; E12-K14 PolarHBondContact O-N 3.38Å; E12-K14 VanDerWaalsContact O-N 3.17Å
13T46.5Very low45.2Very low116 Ų116141.2 Ų141.271%0.71275%0.748SS**  trans-70.6107.2170.939.80000108.7M11 N15M11-T13 PolarHBondContact O-N 3.18Å; T13-N15 PolarHBondContact O-N 3.17Å
14K39.3Very low47.1Very low195 Ų195141.6 Ų141.685%0.84875%0.745SS**  trans-63.896.9171.5-168.6172-176.1170.20108.6E12 M16E12-K14 PolarHBondContact O-N 3.38Å; E12-K14 VanDerWaalsContact O-N 3.17Å; K14-M16 PolarHBondContact O-N 3.49Å
15N43Very low49Very low128 Ų128137.5 Ų137.568%0.68473%0.733SS**  trans-57.1110.1166.2-65.6-56.6000107.1T13 D17T13-N15 PolarHBondContact O-N 3.17Å; N15-D17 VanDerWaalsContact C-N 3.3Å; N15-D17 PolarHBondContact O-N 3.01Å; N15-D17 VanDerWaalsContact O-N 3.1Å
16M44.3Very low51.2Low181 Ų181132.4 Ų132.489%0.89271%0.712SS**  trans-72.598.3161.9-7817585.700105.3K14 F18K14-M16 PolarHBondContact O-N 3.49Å; M16-F18 PolarHBondContact O-N 3.28Å
17D39Very low53.2Low135 Ų135129.6 Ų129.672%0.72270%0.699SS**  trans-50.2112167.7-63.2-53.9000107.7N15 E19N15-D17 VanDerWaalsContact C-N 3.3Å; N15-D17 PolarHBondContact O-N 3.01Å; N15-D17 VanDerWaalsContact O-N 3.1Å; D17-E19 PolarHBondContact O-N 2.86Å
18F45.9Very low55.5Low183 Ų183127.1 Ų127.180%0.80368%0.683SS**  trans-69.583.2160.389.1-78000104.8M16 S20M16-F18 PolarHBondContact O-N 3.28Å; F18-S20 PolarHBondContact O-N 3.06Å
19E46.2Very low57.5Low157 Ų157124.6 Ų124.673%0.73467%0.669SS**  trans-72.985.5173.3-124.3178.6176.600106.8D17 V21D17-E19 PolarHBondContact O-N 2.86Å; E19-V21 HydrophobicContact CB-CG2 4.3Å; E19-V21 HydrophobicContact CG-CG1 4.24Å; E19-V21 PolarHBondContact O-N 3.38Å
20S56.2Low59.5Low97 Ų97120.8 Ų120.868%0.67865%0.654SS**  trans-61.677.4158.7-174.80000108F18F18-S20 PolarHBondContact O-N 3.06Å
21V53.9Low61.8Low103 Ų103117.2 Ų117.262%0.62464%0.64SS**  trans-116.666.6165.9-68.90000107.6E19 S23E19-V21 HydrophobicContact CB-CG2 4.3Å; E19-V21 HydrophobicContact CG-CG1 4.24Å; E19-V21 PolarHBondContact O-N 3.38Å; V21-S23 PolarHBondContact O-N 3.33Å
22S58.9Low63.9Low78 Ų78115.5 Ų115.555%0.54563%0.628SS.*  trans-58.993.3148.7-174.30000105.9V24S22-V24 PolarHBondContact O-N 2.85Å
23S74.9Confident66.1Low52 Ų52114 Ų11436%0.36463%0.625SS.*  trans-56.1130.1-178.163.20000108V21 T25 A26 L27V21-S23 PolarHBondContact O-N 3.33Å; S23-T25 VanDerWaalsContact CB-OG1 3.32Å; S23-T25 WeakPolarHBondContact CB-OG1 3.33Å; S23-T25 PolarHBondContact O-N 2.89Å; S23-T25 PolarHBondContact OG-OG1 3.27Å; S23-T25 VanDerWaalsContact OG-OG1 3.08Å; S23-A26 WeakPolarHBondContact O-CA 3.46Å; S23-A26 WeakPolarHBondContact O-CB 3.47Å; S23-A26 PolarHBondContact O-N 3.21Å; S23-A26 VanDerWaalsContact OG-CB 3.3Å; S23-A26 WeakPolarHBondContact OG-CB 3.23Å; S23-A26 PolarHBondContact OG-N 2.84Å; S23-L27 PolarHBondContact O-N 3.47Å
24V77.1Confident68.1Low119 Ų119115.2 Ų115.272%0.72163%0.627SS**Hα-helixtrans-54.1-29.6179.6-179.40000110.7S22 L27 E28S22-V24 PolarHBondContact O-N 2.85Å; V24-L27 PolarHBondContact O-N 2.84Å; V24-E28 WeakPolarHBondContact O-CB 3.49Å; V24-E28 PolarHBondContact O-N 3.43Å
25T80.4Confident69.9Low97 Ų97112.1 Ų112.160%0.59562%0.619SS**Hα-helixtrans-63.3-37.3171.946.90000114.2S23 E28 A29S23-T25 VanDerWaalsContact CB-OG1 3.32Å; S23-T25 WeakPolarHBondContact CB-OG1 3.33Å; S23-T25 PolarHBondContact O-N 2.89Å; S23-T25 PolarHBondContact OG-OG1 3.27Å; S23-T25 VanDerWaalsContact OG-OG1 3.08Å; T25-E28 PolarHBondContact O-N 2.86Å; T25-A29 WeakPolarHBondContact O-CB 3.26Å; T25-A29 PolarHBondContact O-N 3.18Å
26A86.8Confident71.5Confident43 Ų43110.5 Ų110.536%0.35562%0.616SS.*Hα-helixtrans-70-39.1175.400000111.5S23 A29 L30S23-A26 WeakPolarHBondContact O-CA 3.46Å; S23-A26 WeakPolarHBondContact O-CB 3.47Å; S23-A26 PolarHBondContact O-N 3.21Å; S23-A26 VanDerWaalsContact OG-CB 3.3Å; S23-A26 WeakPolarHBondContact OG-CB 3.23Å; S23-A26 PolarHBondContact OG-N 2.84Å; A26-A29 PolarHBondContact O-N 3.42Å; A26-L30 WeakPolarHBondContact O-CG 3.23Å; A26-L30 PolarHBondContact O-N 3.2Å; A26-L30 VanDerWaalsContact O-N 3.08Å
27L85.9Confident72.4Confident100 Ų100110.8 Ų110.852%0.52462%0.615SS.*Hα-helixtrans-66.2-38173.7-72.5173.5000112S23 V24 L30 S31S23-L27 PolarHBondContact O-N 3.47Å; V24-L27 PolarHBondContact O-N 2.84Å; L27-L30 PolarHBondContact O-N 3.15Å; L27-S31 WeakPolarHBondContact O-CB 3.46Å; L27-S31 PolarHBondContact O-N 3.49Å
28E84.2Confident73.5Confident100 Ų100113.4 Ų113.447%0.46762%0.623SS.*Hα-helixtrans-67.1-39.6175.4-164.1-171.6156.400112.2V24 T25 S31 K32V24-E28 WeakPolarHBondContact O-CB 3.49Å; V24-E28 PolarHBondContact O-N 3.43Å; T25-E28 PolarHBondContact O-N 2.86Å; E28-S31 WeakPolarHBondContact O-CB 3.38Å; E28-S31 PolarHBondContact O-N 3.3Å; E28-K32 WeakPolarHBondContact O-CG 3.42Å; E28-K32 PolarHBondContact O-N 3.25Å; E28-K32 VanDerWaalsContact O-N 3.11Å; E28-K32 WeakPolarHBondContact OE1-CE 3.4Å; E28-K32 IonicContact OE1-NZ 2.83Å; E28-K32 PolarHBondContact OE1-NZ 3.35Å
29A85.5Confident73.9Confident59 Ų59113 Ų11349%0.48862%0.623SS.*Hα-helixtrans-62.9-41.4175.100000112T25 A26 K32 L33T25-A29 WeakPolarHBondContact O-CB 3.26Å; T25-A29 PolarHBondContact O-N 3.18Å; A26-A29 PolarHBondContact O-N 3.42Å; A29-K32 PolarHBondContact O-N 3.2Å; A29-L33 PolarHBondContact O-N 2.99Å
30L82.5Confident74Confident100 Ų100112.2 Ų112.252%0.52462%0.624SS.*Hα-helixtrans-66.4-39.8175-74169.9000112.2A26 L27 K32 L33 L34A26-L30 WeakPolarHBondContact O-CG 3.23Å; A26-L30 PolarHBondContact O-N 3.2Å; A26-L30 VanDerWaalsContact O-N 3.08Å; L27-L30 PolarHBondContact O-N 3.15Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.89Å; L30-L33 PolarHBondContact O-N 2.98Å; L30-L33 VanDerWaalsContact O-N 3.15Å; L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 2.85Å
31S86.1Confident73.5Confident73 Ų73115 Ų11551%0.5163%0.631SS.*Hα-helixtrans-57.2-41.5174.8176.10000112.1L27 E28 L33 N35L27-S31 WeakPolarHBondContact O-CB 3.46Å; L27-S31 PolarHBondContact O-N 3.49Å; E28-S31 WeakPolarHBondContact O-CB 3.38Å; E28-S31 PolarHBondContact O-N 3.3Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-N35 WeakPolarHBondContact O-CB 3.49Å; S31-N35 PolarHBondContact O-N 3.19Å; S31-N35 VanDerWaalsContact O-N 3.11Å
32K86.5Confident73.2Confident132 Ų132114.8 Ų114.857%0.57464%0.635SS**Hα-helixtrans-71.9-27.3178.6-70.7173.7-175.6165.80112.9E28 A29 L30 N35E28-K32 WeakPolarHBondContact O-CG 3.42Å; E28-K32 PolarHBondContact O-N 3.25Å; E28-K32 VanDerWaalsContact O-N 3.11Å; E28-K32 WeakPolarHBondContact OE1-CE 3.4Å; E28-K32 IonicContact OE1-NZ 2.83Å; E28-K32 PolarHBondContact OE1-NZ 3.35Å; A29-K32 PolarHBondContact O-N 3.2Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.89Å; K32-N35 CarbonylContact O-C 3.54Å
33L85.2Confident72.2Confident146 Ų146118 Ų11876%0.76465%0.646SS**Hα-helixtrans-77.2-39.1177.5-150.2103000112.3A29 L30 S31A29-L33 PolarHBondContact O-N 2.99Å; L30-L33 PolarHBondContact O-N 2.98Å; L30-L33 VanDerWaalsContact O-N 3.15Å; S31-L33 VanDerWaalsContact C-N 3.33Å
34L88.2Confident70.7Confident142 Ų142127 Ų12774%0.74367%0.673SS**Hα-helixtrans-77.8-26.9-179.8-71.6168.9000112.6L30 P36L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 2.85Å; L34-P36 VanDerWaalsContact C-CD 3.49Å; L34-P36 WeakPolarHBondContact O-CD 3.38Å
35N76.9Confident68.8Low129 Ų129124.4 Ų124.469%0.6967%0.671SS**SBendtrans-122.674.9177.4-120.340.4000108.8S31 K32 E37S31-N35 WeakPolarHBondContact O-CB 3.49Å; S31-N35 PolarHBondContact O-N 3.19Å; S31-N35 VanDerWaalsContact O-N 3.11Å; K32-N35 CarbonylContact O-C 3.54Å; N35-E37 PolarHBondContact O-N 2.96Å
36P76.3Confident67.1Low95 Ų95128.5 Ų128.562%0.61768%0.684SS**  trans-58.412717025.6-31.9000107.9L34 E38L34-P36 VanDerWaalsContact C-CD 3.49Å; L34-P36 WeakPolarHBondContact O-CD 3.38Å; P36-E38 PolarHBondContact O-N 2.95Å; P36-E38 VanDerWaalsContact O-N 3.08Å
37E64.9Low65Low187 Ų187131.8 Ų131.887%0.87470%0.699SS**  trans-59.3116.9169.6-69.2-178.6170.900106.6N35 E39N35-E37 PolarHBondContact O-N 2.96Å; E37-E39 PolarHBondContact O-N 2.66Å
38E61.1Low62.8Low189 Ų189134.3 Ų134.388%0.88371%0.713SS**  trans-60.6103172.3-65.7-17617300106.8P36 D40P36-E38 PolarHBondContact O-N 2.95Å; P36-E38 VanDerWaalsContact O-N 3.08Å; E38-D40 PolarHBondContact O-N 2.8Å
39E55.1Low60.5Low174 Ų174133.3 Ų133.381%0.81373%0.73SS**  trans-59.8111.8160.1-68.6-166.5168.600105.8E37 D41E37-E39 PolarHBondContact O-N 2.66Å; E39-D41 PolarHBondContact O-N 2.82Å
40D48.2Very low58.3Low142 Ų142138.4 Ų138.476%0.75975%0.748SS**  trans-67.266.7-179.7-1616.6000109.7E38 S42E38-D40 PolarHBondContact O-N 2.8Å; D40-S42 PolarHBondContact O-N 2.68Å
41D45.7Very low56.3Low154 Ų154138.6 Ų138.682%0.82476%0.758SS**  trans-79.973.7168-94.9-10.3000108.4E39 D43E39-D41 PolarHBondContact O-N 2.82Å; D41-D43 PolarHBondContact O-N 2.88Å; D41-D43 VanDerWaalsContact O-N 3.11Å
42S46.5Very low54.3Low100 Ų100141.6 Ų141.670%0.69977%0.773SS**  trans-71.988.8163.449.90000110.1D40D40-S42 PolarHBondContact O-N 2.68Å
43D37.5Very low52.7Low145 Ų145143.3 Ų143.378%0.77579%0.787SS**  trans-141.897153.3-155.53.4000112.5D41 G45D41-D43 PolarHBondContact O-N 2.88Å; D41-D43 VanDerWaalsContact O-N 3.11Å; D43-G45 PolarHBondContact O-N 2.85Å
44Y44.3Very low50.9Low240 Ų240139.7 Ų139.794%0.94179%0.785SS**  trans-72.197.1162.6-91.2-98.6000108.8
45G38Very low49.3Very low65 Ų65138 Ų13867%0.6779%0.791SS**  trans-142.480.2-179.300000113.8D43D43-G45 PolarHBondContact O-N 2.85Å
46Q43.7Very low48.5Very low184 Ų184140.3 Ų140.386%0.8680%0.8SS**  trans-67.9144.3166.6-159.6172.6-11.800110.2
47T42Very low48Very low112 Ų112138 Ų13869%0.68779%0.794SS**  trans84112.5167.777.40000116.8
48N40.3Very low47.7Very low152 Ų152136 Ų13681%0.81380%0.797SS**  -173.1111.6111.2-83.6-23.9000110.7L50N48-L50 PolarHBondContact O-N 2.81Å
49G35.6Very low47.6Very low80 Ų80130.8 Ų130.883%0.82579%0.794SS**  trans-65.3117168.900000110.5S51G49-S51 VanDerWaalsContact C-N 3.3Å; G49-S51 PolarHBondContact O-N 3.49Å
50L40Very low47.9Very low166 Ų166128.3 Ų128.387%0.86979%0.787SS**  trans-85.576.5163.2-103.7145.4000108.1N48N48-L50 PolarHBondContact O-N 2.81Å
51S41Very low48.5Very low104 Ų104129.7 Ų129.773%0.72779%0.792SS**  trans-9299.7163.4-66.50000108.5G49 I53G49-S51 VanDerWaalsContact C-N 3.3Å; G49-S51 PolarHBondContact O-N 3.49Å; S51-I53 PolarHBondContact O-N 3.46Å
52T44.1Very low49Very low135 Ų135124.9 Ų124.983%0.82878%0.779SS**  trans-62101.216534.20000109.4
53I51.3Low50Low168 Ų168126 Ų12686%0.86278%0.784SS**  trans-81.3124.8165.4-72.6165.3000107.9S51S51-I53 PolarHBondContact O-N 3.46Å
54G47.4Very low51.1Low71 Ų71124.6 Ų124.673%0.73278%0.783SS**  trans17385.1166.800000117.2
55A55.7Low51.7Low105 Ų105121.8 Ų121.887%0.86878%0.778SS**  trans70.483.5150.800000119.2
56M60.3Low52.3Low178 Ų178125.2 Ų125.288%0.87778%0.78SS**  trans-108.5117.2154.3-72.9-177.1165.100109.2
57G65.9Low53Low47 Ų47125.3 Ų125.349%0.48578%0.78SS.*  trans-84.1161168.300000111.1G59 N60G57-G59 PolarHBondContact O-N 3.12Å; G57-N60 PolarHBondContact O-N 3.18Å
58P57.4Low53.2Low144 Ų144128.2 Ų128.294%0.93579%0.786SS**THydrogen-bonded Turntrans-65.11.5-174.626-34000115.3
59G59.5Low53.4Low80 Ų80128.7 Ų128.783%0.82579%0.788SS**THydrogen-bonded Turntrans-100.710.1177.300000115.5G57G57-G59 PolarHBondContact O-N 3.12Å
60N61.3Low54.1Low123 Ų123133.6 Ų133.666%0.65879%0.786SS**  trans-11021.3-174.6-138.893.3000114.5G57 G62G57-N60 PolarHBondContact O-N 3.18Å; N60-G62 PolarHBondContact O-N 3.11Å
61I60.8Low54Low170 Ų170131.4 Ų131.487%0.87278%0.78SS**  trans-90.699.9171.5-59.4-166000108.5
62G55.2Low54.4Low54 Ų54131.7 Ų131.756%0.55777%0.772SS**SBendtrans162.5127.3169.200000112.2N60N60-G62 PolarHBondContact O-N 3.11Å
63P68.5Low54.4Low122 Ų122130.5 Ų130.579%0.79277%0.766SS**  trans-58.2144.3164.3-17.729.7000110.2Q65P63-Q65 PolarHBondContact O-N 2.84Å
64P60.3Low54Low117 Ų117130.8 Ų130.876%0.7676%0.764SS**  trans-57.7130.7171.124.3-31.3000109.3I66P64-I66 PolarHBondContact O-N 3.37Å
65Q58.2Low53.9Low181 Ų181133 Ų13385%0.84676%0.763SS**  trans-56.4105.4176.5-73.5177.52.500109.8P63P63-Q65 PolarHBondContact O-N 2.84Å
66I50.1Low53.8Low136 Ų136132.7 Ų132.770%0.69776%0.755SS**  trans-104.9107.9152.1-61.4172.6000103.5P64 E68P64-I66 PolarHBondContact O-N 3.37Å; I66-E68 PolarHBondContact O-N 3.27Å
67E57.9Low53.7Low187 Ų187132.4 Ų132.487%0.87475%0.752SS**  trans-66.286.2168.2-70.4-176.5163.500107.8
68E46.2Very low53.3Low173 Ų173138.3 Ų138.381%0.80877%0.767SS**  trans-101.4120.7159.1-123.9178.212100107.6I66 K70I66-E68 PolarHBondContact O-N 3.27Å; E68-K70 PolarHBondContact O-N 2.99Å
69L45Very low53.4Low162 Ų162139.5 Ų139.585%0.84877%0.765SS**  trans-54.1133.9-174.8-73.1160.1000110.6V71L69-V71 PolarHBondContact O-N 2.54Å
70K49.5Very low53.5Low182 Ų182140.6 Ų140.679%0.79175%0.752SS**  trans-47.395.7164.3-171.8-179.7-170.4-1730110.2E68 I72E68-K70 PolarHBondContact O-N 2.99Å; K70-I72 HydrophobicContact CG-CG1 4.19Å
71V39.2Very low54Low121 Ų121142.6 Ų142.673%0.73376%0.763SS**  trans-10089.7157.3-175.40000105.3L69L69-V71 PolarHBondContact O-N 2.54Å
72I49Very low54.6Low109 Ų109139.7 Ų139.756%0.55975%0.749SS**  trans-48.5129146.3-60.2156.7000103.8K70 E74K70-I72 HydrophobicContact CG-CG1 4.19Å; I72-E74 PolarHBondContact O-N 2.76Å
73P42.6Very low55.7Low110 Ų110144 Ų14471%0.71476%0.758SS**  trans-60.4101.5168.325.8-28.4000104.8T75P73-T75 VanDerWaalsContact C-N 3.34Å; P73-T75 PolarHBondContact O-N 2.81Å
74E43.2Very low56.1Low175 Ų175145.9 Ų145.982%0.81875%0.749SS**  trans-53.6112.7163.1-70.3-176.1163.800103.3I72 S76I72-E74 PolarHBondContact O-N 2.76Å; E74-S76 VanDerWaalsContact C-N 3.26Å; E74-S76 PolarHBondContact O-N 2.86Å
75T46.5Very low56.8Low116 Ų116145.4 Ų145.471%0.71274%0.74SS**  trans-47.7106.3158.646.60000104.4P73 E77P73-T75 VanDerWaalsContact C-N 3.34Å; P73-T75 PolarHBondContact O-N 2.81Å; T75-E77 PolarHBondContact O-N 2.77Å
76S53.4Low57.3Low100 Ų100142 Ų14270%0.69974%0.736SS**  trans-57.6102167.345.60000104.6E74 E78E74-S76 VanDerWaalsContact C-N 3.26Å; E74-S76 PolarHBondContact O-N 2.86Å; S76-E78 PolarHBondContact O-N 3.26Å
77E57.1Low58.1Low172 Ų172144 Ų14480%0.80474%0.743SS**  trans-63.177.8164.4-67.5-177.2171.200105.8T75 N79T75-E77 PolarHBondContact O-N 2.77Å; E77-N79 PolarHBondContact O-N 2.76Å
78E58.9Low58.5Low171 Ų171140.3 Ų140.380%0.79973%0.726SS**  trans-58.9118151.5-92.4-174.1125.200105S76 N80S76-E78 PolarHBondContact O-N 3.26Å; E78-N80 PolarHBondContact O-N 2.84Å
79N59.6Low59.4Low169 Ų169136 Ų13690%0.90471%0.711SS**  trans-6179.3168.8-84.6-84.1000108.3E77E77-N79 PolarHBondContact O-N 2.76Å
80N61.7Low60.2Low103 Ų103132.5 Ų132.555%0.55170%0.698SS**  trans-109.8127.6158.2-169.9-16.6000105.4E78 D82E78-N80 PolarHBondContact O-N 2.84Å; N80-D82 HydrophobicContact CB-CB 4.39Å; N80-D82 PolarHBondContact ND2-OD2 2.84Å; N80-D82 PolarHBondContact O-N 3.33Å; N80-D82 PolarHBondContact OD1-N 2.72Å; N80-D82 PolarHBondContact OD1-OD2 2.93Å
81D72.2Confident60.7Low165 Ų165133.4 Ų133.488%0.88271%0.705SS**  trans-65.88.8174.4-66-49.8000112.2I83D81-I83 PolarHBondContact O-N 2.83Å
82D73.3Confident61.6Low108 Ų108130.6 Ų130.658%0.57870%0.701SS**  trans-69.2117.7171.1-90.9-41000111.2N80 W84N80-D82 HydrophobicContact CB-CB 4.39Å; N80-D82 PolarHBondContact ND2-OD2 2.84Å; N80-D82 PolarHBondContact O-N 3.33Å; N80-D82 PolarHBondContact OD1-N 2.72Å; N80-D82 PolarHBondContact OD1-OD2 2.93Å; D82-W84 PolarHBondContact O-N 2.76Å
83I77.5Confident61.8Low145 Ų145127.8 Ų127.874%0.74469%0.694SS**SBendtrans-66.3-16.5176.7-63.6174.4000111.5D81D81-I83 PolarHBondContact O-N 2.83Å
84W76.3Confident62.5Low161 Ų161130.1 Ų130.161%0.6170%0.695SS**SBendtrans-129.6130.7-175.2-57.5105.6000111.2D82 E88 V89D82-W84 PolarHBondContact O-N 2.76Å; W84-E88 HydrophobicContact CE3-CG 4.42Å; W84-V89 HydrophobicContact CB-CG2 4.39Å
85N74.8Confident63.1Low107 Ų107125.5 Ų125.557%0.57267%0.673SS**  trans-82.7146.7169.5-67.6-76000110.2E87 E88N85-E87 PolarHBondContact O-N 2.79Å; N85-E88 HydrophobicContact CB-CB 4.27Å; N85-E88 WeakPolarHBondContact O-CB 3.17Å; N85-E88 PolarHBondContact O-N 2.79Å
86S69.1Low63.6Low109 Ų109125.8 Ų125.876%0.76267%0.67SS**THydrogen-bonded Turntrans-59.2-32.1179.7-54.50000112.8E88S86-E88 VanDerWaalsContact C-N 3.35Å
87E68Low64.1Low179 Ų179125.1 Ų125.184%0.83666%0.659SS**THydrogen-bonded Turntrans-74.2-15171.7-79.674.8-164.700115.2N85N85-E87 PolarHBondContact O-N 2.79Å
88E66.5Low64.2Low110 Ų110124.7 Ų124.751%0.51466%0.659SS.*THydrogen-bonded Turntrans-88.5-17.9-179.1-170.1173.5-178.800112.6W84 N85 S86 P90W84-E88 HydrophobicContact CE3-CG 4.42Å; N85-E88 HydrophobicContact CB-CB 4.27Å; N85-E88 WeakPolarHBondContact O-CB 3.17Å; N85-E88 PolarHBondContact O-N 2.79Å; S86-E88 VanDerWaalsContact C-N 3.35Å; E88-P90 WeakPolarHBondContact O-CD 3.39Å
89V64.4Low64.3Low81 Ų81127.9 Ų127.949%0.49166%0.664SS.*SBendtrans-89.6111.1173.3-175.20000108.2W84 E91W84-V89 HydrophobicContact CB-CG2 4.39Å; V89-E91 PolarHBondContact O-N 3.29Å; V89-E91 VanDerWaalsContact O-N 3.1Å
90P61.4Low64.8Low90 Ų90122 Ų12258%0.58463%0.632SS**  trans-61.6118.6176.4-17.230.2000109.6E88 G92 A93E88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-G92 PolarHBondContact O-N 2.92Å; P90-G92 VanDerWaalsContact O-N 3.13Å; P90-A93 HydrophobicContact CB-CB 4.17Å; P90-A93 HydrophobicContact CG-CB 4.47Å; P90-A93 PolarHBondContact O-N 3.48Å; P90-A93 VanDerWaalsContact O-N 3.15Å
91E60.9Low65.4Low201 Ų201124 Ų12494%0.93965%0.648SS**THydrogen-bonded Turntrans-56.8118.5171.5-72.3-175.7167.800109V89V89-E91 PolarHBondContact O-N 3.29Å; V89-E91 VanDerWaalsContact O-N 3.1Å
92G56.2Low65.9Low62 Ų62119.7 Ų119.764%0.63962%0.619SS**THydrogen-bonded Turntrans102.5-2.7-179.500000116.3P90 E94P90-G92 PolarHBondContact O-N 2.92Å; P90-G92 VanDerWaalsContact O-N 3.13Å; G92-E94 VanDerWaalsContact C-N 3.26Å; G92-E94 PolarHBondContact O-N 2.93Å
93A54.2Low66.4Low50 Ų50121.3 Ų121.341%0.41362%0.623SS.*G310 helixtrans-82.20.6171.800000113.8P90 H95 D96P90-A93 HydrophobicContact CB-CB 4.17Å; P90-A93 HydrophobicContact CG-CB 4.47Å; P90-A93 PolarHBondContact O-N 3.48Å; P90-A93 VanDerWaalsContact O-N 3.15Å; A93-H95 PolarHBondContact O-N 3.32Å; A93-D96 PolarHBondContact O-N 3.01Å
94E57.8Low66.8Low158 Ų158120.4 Ų120.474%0.73862%0.618SS**G310 helixtrans-62-14.4-178.655.5173.8178.900114.6G92G92-E94 VanDerWaalsContact C-N 3.26Å; G92-E94 PolarHBondContact O-N 2.93Å
95H56.2Low67.5Low79 Ų79112.9 Ų112.937%0.36659%0.59SS.*G310 helixtrans-120.9-9.9-175.9-59.9-30.7000113.7A93 D97 L170A93-H95 PolarHBondContact O-N 3.32Å; H95-D97 PolarHBondContact O-N 2.76Å; H95-L170 HydrophobicContact CB-CD2 3.79Å
96D56.9Low68.4Low122 Ų122113.7 Ų113.765%0.65259%0.591SS**  trans-90.889.1178.3-145.9-46.6000108.7A93 M98A93-D96 PolarHBondContact O-N 3.01Å; D96-M98 PolarHBondContact O-N 3.05Å
97D62.2Low69.5Low86 Ų86113.8 Ų113.846%0.4658%0.575SS.*  trans-73.176.1173.5-93.6-35.3000109.4H95 W99 D100 K168H95-D97 PolarHBondContact O-N 2.76Å; D97-W99 PolarHBondContact O-N 3.15Å; D97-D100 HydrophobicContact CB-CB 3.76Å; D97-D100 PolarHBondContact O-N 3.49Å; D97-K168 IonicContact OD2-NZ 3.15Å; D97-K168 PolarHBondContact OD2-NZ 3.13Å
98M60.4Low70.8Confident163 Ų163110.7 Ų110.780%0.80356%0.561SS**THydrogen-bonded Turntrans-55.1-13.8173.1-73.3-171.167.400113.4D96D96-M98 PolarHBondContact O-N 3.05Å
99W60.8Low72.1Confident238 Ų238108 Ų10890%0.90255%0.549SS*.THydrogen-bonded Turntrans-102.8-4.9-178.6-53.997.3000113.9D97D97-W99 PolarHBondContact O-N 3.15Å
100D69.5Low73.5Confident45 Ų45106.5 Ų106.524%0.24154%0.538CS..  trans-87.1117177-162.3-23.1000110.3D97 R102 K168D97-D100 HydrophobicContact CB-CB 3.76Å; D97-D100 PolarHBondContact O-N 3.49Å; D100-R102 PolarHBondContact O-N 3.4Å; D100-R102 WeakPolarHBondContact OD1-CB 3.35Å; D100-R102 WeakPolarHBondContact OD1-CG 3.29Å; D100-R102 IonicContact OD1-CZ 3.89Å; D100-R102 PolarHBondContact OD1-N 2.77Å; D100-R102 IonicContact OD1-NE 2.95Å; D100-R102 PolarHBondContact OD1-NE 2.87Å; D100-R102 IonicContact OD1-NH2 2.87Å; D100-R102 IonicContact OD2-CZ 3.2Å; D100-R102 IonicContact OD2-NE 2.96Å; D100-R102 PolarHBondContact OD2-NE 2.87Å; D100-R102 IonicContact OD2-NH2 2.76Å; D100-R102 PolarHBondContact OD2-NH2 3.05Å; D100-K168 WeakPolarHBondContact OD2-CD 3.44Å
101V74.2Confident75Confident144 Ų144105.5 Ų105.587%0.87353%0.525SS*.  trans-77.1-7.5-178.4-168.50000111.5
102R82.8Confident76.5Confident76 Ų76100.7 Ų100.729%0.28750%0.498SS..SBendtrans-70.5133.7-178.2-70-179.8-72.8-175.4-5111.2D100 T164 Q166 K168D100-R102 PolarHBondContact O-N 3.4Å; D100-R102 WeakPolarHBondContact OD1-CB 3.35Å; D100-R102 WeakPolarHBondContact OD1-CG 3.29Å; D100-R102 IonicContact OD1-CZ 3.89Å; D100-R102 PolarHBondContact OD1-N 2.77Å; D100-R102 IonicContact OD1-NE 2.95Å; D100-R102 PolarHBondContact OD1-NE 2.87Å; D100-R102 IonicContact OD1-NH2 2.87Å; D100-R102 IonicContact OD2-CZ 3.2Å; D100-R102 IonicContact OD2-NE 2.96Å; D100-R102 PolarHBondContact OD2-NE 2.87Å; D100-R102 IonicContact OD2-NH2 2.76Å; D100-R102 PolarHBondContact OD2-NH2 3.05Å; R102-T164 PolarHBondContact NH1-O 2.71Å; R102-Q166 WeakPolarHBondContact CB-O 3.43Å; R102-K168 HydrophobicContact CB-CB 4.12Å
103E83.6Confident78.1Confident141 Ų141100 Ų10066%0.65948%0.478SS*.BIsolated β-bridgetrans-70.3141.5177-66-176.3159.600110.9K167 K168E103-K167 VanDerWaalsContact O-CA 3.23Å; E103-K167 WeakPolarHBondContact O-CA 3.42Å; E103-K167 VanDerWaalsContact O-CB 3.26Å; E103-K167 WeakPolarHBondContact O-CB 3.21Å; E103-K167 WeakPolarHBondContact O-CG 3.2Å; E103-K168 PolarHBondContact O-N 2.88Å
104I87.6Confident79.6Confident126 Ų126104 Ų10465%0.64649%0.488SS*.PPolyproline II helixtrans-75.5122.5172.9-57.2172.5000107.9L169I104-L169 HydrophobicContact CG2-CD1 3.62Å
105P91.1Very high81Confident3 Ų3100.1 Ų100.12%0.01948%0.475CS..PPolyproline II helixtrans-68.8154.7177.428.7-31.9000111.2Y107 I141 K142 L143 K167 K168 L169P105-Y107 PolarHBondContact O-N 2.76Å; P105-I141 HydrophobicContact CB-CG2 3.83Å; P105-I141 HydrophobicContact CG-CG2 3.65Å; P105-K142 WeakPolarHBondContact CB-O 3.41Å; P105-L143 HydrophobicContact CB-CD2 3.92Å; P105-L143 HydrophobicContact CG-CD2 4.18Å; P105-K167 HydrophobicContact CB-CD 3.9Å; P105-K167 HydrophobicContact CG-CB 4.49Å; P105-K168 VanDerWaalsContact CD-O 3.29Å; P105-K168 WeakPolarHBondContact CD-O 3.17Å; P105-L169 HydrophobicContact CG-CB 3.79Å; P105-L169 HydrophobicContact CG-CD1 4.42Å; P105-L169 HydrophobicContact CG-CD2 4.33Å; P105-L169 HydrophobicContact CG-CG 4.42Å
106E92.2Very high82.5Confident125 Ų12597.4 Ų97.458%0.58447%0.469SS*.PPolyproline II helixtrans-67.5126.9169.9-170.6-170.1149.900109.1K142E106-K142 HydrophobicContact CB-CB 4.38Å; E106-K142 HydrophobicContact CB-CD 4.28Å; E106-K142 HydrophobicContact CG-CD 4.42Å; E106-K142 PolarHBondContact O-N 3.1Å; E106-K142 IonicContact OE1-NZ 2.71Å; E106-K142 PolarHBondContact OE1-NZ 2.69Å; E106-K142 WeakPolarHBondContact OE2-CD 3.46Å; E106-K142 IonicContact OE2-NZ 3.06Å; E106-K142 PolarHBondContact OE2-NZ 2.95Å
107Y93.4Very high84Confident111 Ų11196.4 Ų96.444%0.43547%0.467SS..EExtended strand (participates in β ladder)trans-131.7152.6-179.570.5-86.2000111.6P105 I109 K140 L169 I171P105-Y107 PolarHBondContact O-N 2.76Å; Y107-I109 HydrophobicContact CD2-CG1 4.27Å; Y107-I109 HydrophobicContact CE2-CD1 4.38Å; Y107-I109 HydrophobicContact CE2-CG1 4.45Å; Y107-K140 CarbonylContact C-O 3.49Å; Y107-K140 VanDerWaalsContact CA-O 3.25Å; Y107-K140 WeakPolarHBondContact CA-O 2.96Å; Y107-L169 HydrophobicContact CD1-CD1 3.49Å; Y107-L169 VanDerWaalsContact CD1-CD1 3.49Å; Y107-L169 HydrophobicContact CD1-CD2 4.22Å; Y107-L169 HydrophobicContact CE1-CD1 3.77Å; Y107-L169 HydrophobicContact CG-CD1 4.16Å; Y107-L169 HydrophobicContact CG-CD2 4.08Å; Y107-I171 HydrophobicContact CD2-CD1 3.96Å; Y107-I171 HydrophobicContact CE1-CG2 4.11Å; Y107-I171 HydrophobicContact CE2-CD1 4Å; Y107-I171 HydrophobicContact CE2-CG2 4.14Å
108E94.6Very high85.3Confident113 Ų11396.6 Ų96.653%0.52847%0.465SS..EExtended strand (participates in β ladder)trans-135133.9176.7-173.2-175.2-171.400108.7I110 A139 K140E108-I110 HydrophobicContact CG-CD1 4.31Å; E108-I110 HydrophobicContact CG-CG1 3.94Å; E108-A139 CarbonylContact O-C 3.59Å; E108-A139 WeakPolarHBondContact O-CA 3.25Å; E108-K140 HydrophobicContact CB-CB 4.44Å; E108-K140 PolarHBondContact N-O 3.23Å; E108-K140 PolarHBondContact O-N 3.39Å
109I93.9Very high86.4Confident53 Ų5390 Ų9027%0.27243%0.433SS..EExtended strand (participates in β ladder)trans-107.6123.6175.4-57.3176.9000108.1Y107 L137 I171Y107-I109 HydrophobicContact CD2-CG1 4.27Å; Y107-I109 HydrophobicContact CE2-CD1 4.38Å; Y107-I109 HydrophobicContact CE2-CG1 4.45Å; I109-L137 HydrophobicContact CG2-CD1 3.47Å; I109-L137 VanDerWaalsContact CG2-CD1 3.47Å; I109-L137 HydrophobicContact CG2-CD2 4.23Å; I109-L137 HydrophobicContact CG2-CG 3.93Å; I109-I171 HydrophobicContact CD1-CD1 4.05Å; I109-I171 HydrophobicContact CG1-CD1 4.47Å
110I93.9Very high87.6Confident50 Ų5084.2 Ų84.226%0.25642%0.418SS..EExtended strand (participates in β ladder)trans-122.3131.8-175.8-57.3169.8000109E108 V138 K140E108-I110 HydrophobicContact CG-CD1 4.31Å; E108-I110 HydrophobicContact CG-CG1 3.94Å; I110-V138 HydrophobicContact CB-CB 4.39Å; I110-V138 PolarHBondContact N-O 3.08Å; I110-V138 PolarHBondContact O-N 3.22Å; I110-K140 HydrophobicContact CD1-CD 3.68Å; I110-K140 HydrophobicContact CD1-CG 4.26Å
111F92.9Very high88.3Confident69 Ų6989.8 Ų89.830%0.30344%0.441SS..EExtended strand (participates in β ladder)trans-86.9124.8170.5-64.1-89.1000109.5T131 C134 L137 P174 E175 M199F111-T131 HydrophobicContact CB-CG2 4.22Å; F111-T131 HydrophobicContact CD1-CG2 4.44Å; F111-T131 HydrophobicContact CD2-CG2 3.77Å; F111-T131 HydrophobicContact CE2-CG2 4.24Å; F111-T131 HydrophobicContact CG-CG2 3.89Å; F111-C134 HydrophobicContact CB-CB 3.87Å; F111-L137 HydrophobicContact CD1-CD1 3.61Å; F111-L137 HydrophobicContact CE1-CD1 3.46Å; F111-L137 VanDerWaalsContact CE1-CD1 3.46Å; F111-L137 HydrophobicContact CE2-CD1 4.4Å; F111-L137 HydrophobicContact CG-CD1 4.17Å; F111-L137 HydrophobicContact CZ-CD1 3.88Å; F111-P174 HydrophobicContact CE1-CG 4.39Å; F111-P174 HydrophobicContact CZ-CB 4.41Å; F111-P174 HydrophobicContact CZ-CG 3.78Å; F111-E175 HydrophobicContact CE1-CG 4.47Å; F111-M199 HydrophobicContact CD1-CE 3.67Å; F111-M199 HydrophobicContact CD1-SD 3.9Å; F111-M199 HydrophobicContact CE1-CE 4.28Å; F111-M199 HydrophobicContact CE1-SD 3.88Å
112R92.1Very high88.9Confident101 Ų10188.5 Ų88.538%0.38143%0.428SS..EExtended strand (participates in β ladder)trans-111.6127.1-179.7-171.9172.986.7-169.65.6110.4S135 E136 V138R112-S135 PolarHBondContact O-N 2.92Å; R112-E136 HydrophobicContact CB-CB 4.17Å; R112-E136 IonicContact CZ-OE1 3.95Å; R112-E136 IonicContact CZ-OE2 2.66Å; R112-E136 PolarHBondContact N-O 2.97Å; R112-E136 IonicContact NE-OE2 2.54Å; R112-E136 PolarHBondContact NE-OE2 3.26Å; R112-E136 IonicContact NH2-OE1 3.26Å; R112-E136 PolarHBondContact NH2-OE1 3.19Å; R112-E136 IonicContact NH2-OE2 3.14Å; R112-E136 PolarHBondContact NH2-OE2 3.39Å; R112-E136 PolarHBondContact O-N 3.24Å; R112-V138 HydrophobicContact CB-CG2 3.94Å
113Q89.9Confident88.9Confident48 Ų4887.4 Ų87.422%0.22444%0.441CS..  trans-98.2129.2174.8-175.9174.4-39.400110.5V115 K127 D128Q113-V115 HydrophobicContact CG-CG1 3.9Å; Q113-V115 PolarHBondContact O-N 3.37Å; Q113-K127 HydrophobicContact CG-CD 4.3Å; Q113-K127 VanDerWaalsContact NE2-CB 3.3Å; Q113-D128 PolarHBondContact OE1-O 3.44Å
114Q86.6Confident88.7Confident133 Ų13386.6 Ų86.662%0.62144%0.44SS*.  trans-78.1109.6168.9-174.7176-9.100109.1K127Q114-K127 PolarHBondContact O-NZ 2.83Å
115V87Confident88.1Confident77 Ų7782.1 Ų82.147%0.46742%0.42SS..  trans-107.5128.8177.3-67.60000111.5Q113 D119 I120Q113-V115 HydrophobicContact CG-CG1 3.9Å; Q113-V115 PolarHBondContact O-N 3.37Å; V115-D119 WeakPolarHBondContact CA-OD2 3.35Å; V115-D119 HydrophobicContact CB-CB 4.41Å; V115-I120 HydrophobicContact CB-CG1 4.45Å; V115-I120 HydrophobicContact CG2-CD1 4.12Å
116G87.4Confident87.5Confident22 Ų2292.3 Ų92.323%0.22746%0.458CS..  trans-89.8171.9172.400000112.5E118 D119 I120G116-E118 PolarHBondContact O-N 3.27Å; G116-D119 PolarHBondContact N-OD2 2.85Å; G116-D119 WeakPolarHBondContact O-CB 3.48Å; G116-D119 PolarHBondContact O-N 3.17Å; G116-I120 PolarHBondContact O-N 2.82Å
117T88.9Confident87.1Confident101 Ų10189.4 Ų89.462%0.6244%0.444SS*.Hα-helixtrans-64.9-31.4170.145.90000111.8D119 I120 F121T117-D119 VanDerWaalsContact C-N 3.26Å; T117-D119 PolarHBondContact O-N 2.94Å; T117-I120 PolarHBondContact O-N 2.98Å; T117-F121 HydrophobicContact CG2-CD2 4.44Å; T117-F121 HydrophobicContact CG2-CE2 4.42Å; T117-F121 WeakPolarHBondContact O-CB 3.4Å; T117-F121 WeakPolarHBondContact O-CD2 3.46Å; T117-F121 PolarHBondContact O-N 3.49Å
118E87.6Confident86.6Confident90 Ų9088 Ų8842%0.42144%0.444SS..Hα-helixtrans-64.4-32.4174.168.5-86.6-162.600112.5G116 L122 G123G116-E118 PolarHBondContact O-N 3.27Å; E118-L122 HydrophobicContact CB-CD1 4.39Å; E118-L122 CarbonylContact O-C 3.52Å; E118-L122 VanDerWaalsContact O-CA 3.31Å; E118-L122 WeakPolarHBondContact O-CA 3.49Å; E118-L122 VanDerWaalsContact O-CB 3.32Å; E118-L122 WeakPolarHBondContact O-CB 3.22Å; E118-L122 PolarHBondContact O-N 3.43Å; E118-G123 PolarHBondContact O-N 3.05Å
119D84.1Confident86.2Confident25 Ų2588.9 Ų88.913%0.13446%0.462CS..Hα-helixtrans-69.8-46.3179.3-59.5-21.1000110.5V115 G116 T117 G123 S125 K127V115-D119 WeakPolarHBondContact CA-OD2 3.35Å; V115-D119 HydrophobicContact CB-CB 4.41Å; G116-D119 PolarHBondContact N-OD2 2.85Å; G116-D119 WeakPolarHBondContact O-CB 3.48Å; G116-D119 PolarHBondContact O-N 3.17Å; T117-D119 VanDerWaalsContact C-N 3.26Å; T117-D119 PolarHBondContact O-N 2.94Å; D119-G123 PolarHBondContact O-N 2.72Å; D119-S125 WeakPolarHBondContact OD1-CB 3.28Å; D119-K127 IonicContact OD2-NZ 3.83Å; D119-K127 PolarHBondContact OD2-NZ 2.8Å
120I85.7Confident85.8Confident115 Ų11587.9 Ų87.959%0.5946%0.46SS*.Hα-helixtrans-76-42.3-175.1-60.9170.3000111.4V115 G116 T117V115-I120 HydrophobicContact CB-CG1 4.45Å; V115-I120 HydrophobicContact CG2-CD1 4.12Å; G116-I120 PolarHBondContact O-N 2.82Å; T117-I120 PolarHBondContact O-N 2.98Å
121F85.7Confident85.3Confident162 Ų16289.2 Ų89.271%0.71147%0.471SS*.Hα-helixtrans-98.3-30.5-171.6-69.4-79.9000114T117T117-F121 HydrophobicContact CG2-CD2 4.44Å; T117-F121 HydrophobicContact CG2-CE2 4.42Å; T117-F121 WeakPolarHBondContact O-CB 3.4Å; T117-F121 WeakPolarHBondContact O-CD2 3.46Å; T117-F121 PolarHBondContact O-N 3.49Å
122L86.1Confident84.9Confident117 Ų11789.5 Ų89.561%0.61348%0.481SS*.THydrogen-bonded Turntrans-114.8-16.3-173.1-53.6176.6000113.3E118 L124E118-L122 HydrophobicContact CB-CD1 4.39Å; E118-L122 CarbonylContact O-C 3.52Å; E118-L122 VanDerWaalsContact O-CA 3.31Å; E118-L122 WeakPolarHBondContact O-CA 3.49Å; E118-L122 VanDerWaalsContact O-CB 3.32Å; E118-L122 WeakPolarHBondContact O-CB 3.22Å; E118-L122 PolarHBondContact O-N 3.43Å; L122-L124 HydrophobicContact CB-CD1 3.89Å; L122-L124 HydrophobicContact CB-CG 3.7Å; L122-L124 HydrophobicContact CD1-CD1 3.93Å; L122-L124 PolarHBondContact O-N 3.29Å
123G82.1Confident84.4Confident53 Ų5386.1 Ų86.155%0.54647%0.473SS..  trans61.426.4179.700000114E118 D119E118-G123 PolarHBondContact O-N 3.05Å; D119-G123 PolarHBondContact O-N 2.72Å
124L80.3Confident84.4Confident124 Ų12484.3 Ų84.365%0.64947%0.465SS*.THydrogen-bonded Turntrans-80.7-31.5-170.8-65.1177.2000113.6L122 R126L122-L124 HydrophobicContact CB-CD1 3.89Å; L122-L124 HydrophobicContact CB-CG 3.7Å; L122-L124 HydrophobicContact CD1-CD1 3.93Å; L122-L124 PolarHBondContact O-N 3.29Å; L124-R126 PolarHBondContact O-N 2.78Å
125S74.7Confident84.5Confident32 Ų3279.2 Ų79.222%0.22445%0.445CS..THydrogen-bonded Turntrans-81.45-173.7-1620000114.3D119 K127D119-S125 WeakPolarHBondContact OD1-CB 3.28Å; S125-K127 PolarHBondContact O-N 2.84Å; S125-K127 WeakPolarHBondContact OG-CE 3.44Å
126R78.4Confident84.7Confident217 Ų21777.2 Ų77.282%0.81943%0.43SS*.  trans50.415.1179.9-63.5-175.9175.5-1771.3115.7L124 D128L124-R126 PolarHBondContact O-N 2.78Å; R126-D128 PolarHBondContact O-N 2.75Å
127K84.9Confident85Confident65 Ų6576.1 Ų76.128%0.28342%0.419SS..  trans-66.5131.4176.8-62.8177.9-174153.10109.7Q113 Q114 D119 S125 C133Q113-K127 HydrophobicContact CG-CD 4.3Å; Q113-K127 VanDerWaalsContact NE2-CB 3.3Å; Q114-K127 PolarHBondContact O-NZ 2.83Å; D119-K127 IonicContact OD2-NZ 3.83Å; D119-K127 PolarHBondContact OD2-NZ 2.8Å; S125-K127 PolarHBondContact O-N 2.84Å; S125-K127 WeakPolarHBondContact OG-CE 3.44Å; K127-C133 HydrophobicContact CB-CB 4.2Å; K127-C133 HydrophobicContact CG-CB 4.49Å
128D82.7Confident85.2Confident81 Ų8171.6 Ų71.643%0.43339%0.391SS..  trans-108.3175.9174.675-59.5000110.6Q113 R126 S130 C133Q113-D128 PolarHBondContact OE1-O 3.44Å; R126-D128 PolarHBondContact O-N 2.75Å; D128-S130 PolarHBondContact O-N 3.26Å; D128-S130 PolarHBondContact OD1-OG 3.22Å; D128-S130 WeakPolarHBondContact OD2-CB 3.46Å; D128-S130 PolarHBondContact OD2-N 2.97Å; D128-S130 VanDerWaalsContact OD2-N 3.08Å; D128-S130 PolarHBondContact OD2-OG 2.89Å; D128-C133 PolarHBondContact N-SG 2.79Å; D128-C133 PolarHBondContact OD1-SG 2.87Å
129S84.5Confident85.5Confident131 Ų13167.3 Ų67.392%0.91637%0.371SS*.SBendtrans-78.48.9-179.7-53.10000113.7
130S85.8Confident86.1Confident32 Ų3269.6 Ų69.622%0.22438%0.38CS..SBendtrans-69.7155.9174.768.30000112.2D128 S132 C133D128-S130 PolarHBondContact O-N 3.26Å; D128-S130 PolarHBondContact OD1-OG 3.22Å; D128-S130 WeakPolarHBondContact OD2-CB 3.46Å; D128-S130 PolarHBondContact OD2-N 2.97Å; D128-S130 VanDerWaalsContact OD2-N 3.08Å; D128-S130 PolarHBondContact OD2-OG 2.89Å; S130-S132 PolarHBondContact O-N 2.72Å; S130-S132 WeakPolarHBondContact OG-CB 3.4Å; S130-S132 PolarHBondContact OG-N 3.44Å; S130-C133 PolarHBondContact O-N 3.42Å
131T84.9Confident86.5Confident78 Ų7864.1 Ų64.148%0.47935%0.352SS..G310 helixtrans-63.9-20168.851.50000112.3F111 C133 C134 R201F111-T131 HydrophobicContact CB-CG2 4.22Å; F111-T131 HydrophobicContact CD1-CG2 4.44Å; F111-T131 HydrophobicContact CD2-CG2 3.77Å; F111-T131 HydrophobicContact CE2-CG2 4.24Å; F111-T131 HydrophobicContact CG-CG2 3.89Å; T131-C133 VanDerWaalsContact C-N 3.27Å; T131-C133 PolarHBondContact O-N 2.87Å; T131-C134 WeakPolarHBondContact O-CB 3.35Å; T131-C134 PolarHBondContact O-N 3.43Å; T131-R201 PolarHBondContact O-NH2 2.86Å
132S82.7Confident86.9Confident75 Ų7560.9 Ų60.952%0.52434%0.338SS..G310 helixtrans-65.1-29.1176.3-52.90000112.8S130S130-S132 PolarHBondContact O-N 2.72Å; S130-S132 WeakPolarHBondContact OG-CB 3.4Å; S130-S132 PolarHBondContact OG-N 3.44Å
133C83.2Confident87.1Confident30 Ų3055.3 Ų55.320%0.20331%0.309CS..G310 helixtrans-89.6-2.2176.2-76.20000114K127 D128 S130 T131K127-C133 HydrophobicContact CB-CB 4.2Å; K127-C133 HydrophobicContact CG-CB 4.49Å; D128-C133 PolarHBondContact N-SG 2.79Å; D128-C133 PolarHBondContact OD1-SG 2.87Å; S130-C133 PolarHBondContact O-N 3.42Å; T131-C133 VanDerWaalsContact C-N 3.27Å; T131-C133 PolarHBondContact O-N 2.87Å
134C88.4Confident87.3Confident10 Ų1054.9 Ų54.97%0.06830%0.296CS..  trans-83120.7-178.3-680000110.9F111 T131 M199 R201F111-C134 HydrophobicContact CB-CB 3.87Å; T131-C134 WeakPolarHBondContact O-CB 3.35Å; T131-C134 PolarHBondContact O-N 3.43Å; C134-M199 HydrophobicContact CB-CE 4.07Å; C134-M199 WeakPolarHBondContact O-CE 3.44Å; C134-R201 PolarHBondContact O-NH1 2.97Å; C134-R201 PolarHBondContact O-NH2 2.93Å
135S88.5Confident87.5Confident27 Ų2755.2 Ų55.219%0.18930%0.299CS..  trans-84.2-24.4-179.649.90000113.9R112 M199R112-S135 PolarHBondContact O-N 2.92Å; S135-M199 PolarHBondContact O-N 3.08Å
136E91.8Very high88Confident34 Ų3454.3 Ų54.316%0.15929%0.292CS..EExtended strand (participates in β ladder)trans-123.2142.2-171-64.1174.3119.500111.2R112 T196 M197 M199R112-E136 HydrophobicContact CB-CB 4.17Å; R112-E136 IonicContact CZ-OE1 3.95Å; R112-E136 IonicContact CZ-OE2 2.66Å; R112-E136 PolarHBondContact N-O 2.97Å; R112-E136 IonicContact NE-OE2 2.54Å; R112-E136 PolarHBondContact NE-OE2 3.26Å; R112-E136 IonicContact NH2-OE1 3.26Å; R112-E136 PolarHBondContact NH2-OE1 3.19Å; R112-E136 IonicContact NH2-OE2 3.14Å; R112-E136 PolarHBondContact NH2-OE2 3.39Å; R112-E136 PolarHBondContact O-N 3.24Å; E136-T196 HydrophobicContact CB-CG2 4.34Å; E136-M197 CarbonylContact C-O 3.36Å; E136-M197 WeakPolarHBondContact CA-O 3.34Å; E136-M199 WeakPolarHBondContact O-CE 3.1Å
137L93.2Very high88.3Confident0 Ų048.8 Ų48.80%028%0.278CS..EExtended strand (participates in β ladder)trans-106.8133.7171.8-168.974.3000108.3I109 F111 L173 P174 V177 T196 M197 M199I109-L137 HydrophobicContact CG2-CD1 3.47Å; I109-L137 VanDerWaalsContact CG2-CD1 3.47Å; I109-L137 HydrophobicContact CG2-CD2 4.23Å; I109-L137 HydrophobicContact CG2-CG 3.93Å; F111-L137 HydrophobicContact CD1-CD1 3.61Å; F111-L137 HydrophobicContact CE1-CD1 3.46Å; F111-L137 VanDerWaalsContact CE1-CD1 3.46Å; F111-L137 HydrophobicContact CE2-CD1 4.4Å; F111-L137 HydrophobicContact CG-CD1 4.17Å; F111-L137 HydrophobicContact CZ-CD1 3.88Å; L137-L173 HydrophobicContact CD2-CD2 3.96Å; L137-P174 HydrophobicContact CD1-CG 4.47Å; L137-V177 HydrophobicContact CD2-CG1 4.25Å; L137-T196 CarbonylContact O-C 3.56Å; L137-T196 WeakPolarHBondContact O-CA 3.33Å; L137-M197 HydrophobicContact CB-CG 3.73Å; L137-M197 HydrophobicContact CB-SD 4.45Å; L137-M197 HydrophobicContact CD2-CG 4.26Å; L137-M197 HydrophobicContact CD2-SD 3.88Å; L137-M197 HydrophobicContact CG-CG 4.42Å; L137-M197 PolarHBondContact N-O 2.8Å; L137-M197 WeakPolarHBondContact O-CG 3.48Å; L137-M197 PolarHBondContact O-N 2.81Å; L137-M199 HydrophobicContact CB-CE 4.2Å; L137-M199 HydrophobicContact CB-CG 4.09Å; L137-M199 HydrophobicContact CB-SD 4.34Å; L137-M199 HydrophobicContact CD1-SD 4.5Å
138V94.3Very high88.3Confident5 Ų549 Ų493%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-123.7111.7-178.4-177.10000109I110 R112 K140 E194 I195 T196I110-V138 HydrophobicContact CB-CB 4.39Å; I110-V138 PolarHBondContact N-O 3.08Å; I110-V138 PolarHBondContact O-N 3.22Å; R112-V138 HydrophobicContact CB-CG2 3.94Å; V138-K140 HydrophobicContact CG1-CG 4.33Å; V138-E194 HydrophobicContact CG1-CG 3.43Å; V138-E194 VanDerWaalsContact CG1-CG 3.43Å; V138-I195 CarbonylContact C-O 3.58Å; V138-I195 VanDerWaalsContact CA-O 3.28Å; V138-I195 WeakPolarHBondContact CA-O 3.3Å; V138-T196 HydrophobicContact CG2-CG2 4.26Å
139A94.7Very high88.5Confident1 Ų150.6 Ų50.61%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-94.7119.617300000109.8E108 L160 E194 I195 M197E108-A139 CarbonylContact O-C 3.59Å; E108-A139 WeakPolarHBondContact O-CA 3.25Å; A139-L160 HydrophobicContact CB-CD2 4.01Å; A139-E194 WeakPolarHBondContact O-CA 3.43Å; A139-I195 HydrophobicContact CB-CB 4.37Å; A139-I195 PolarHBondContact N-O 2.89Å; A139-I195 PolarHBondContact O-N 3.08Å; A139-M197 HydrophobicContact CB-CE 4.48Å
140K95.1Very high88.7Confident73 Ų7348.2 Ų48.232%0.31728%0.281SS..EExtended strand (participates in β ladder)trans-104.9120.5174.7-67.8-174.6179.41740109.3Y107 E108 I110 V138 T192 L193 E194Y107-K140 CarbonylContact C-O 3.49Å; Y107-K140 VanDerWaalsContact CA-O 3.25Å; Y107-K140 WeakPolarHBondContact CA-O 2.96Å; E108-K140 HydrophobicContact CB-CB 4.44Å; E108-K140 PolarHBondContact N-O 3.23Å; E108-K140 PolarHBondContact O-N 3.39Å; I110-K140 HydrophobicContact CD1-CD 3.68Å; I110-K140 HydrophobicContact CD1-CG 4.26Å; V138-K140 HydrophobicContact CG1-CG 4.33Å; K140-T192 HydrophobicContact CB-CG2 4.14Å; K140-L193 CarbonylContact C-O 3.59Å; K140-L193 WeakPolarHBondContact CA-O 3.5Å; K140-E194 HydrophobicContact CG-CG 4.34Å
141I94.8Very high88.9Confident0 Ų048 Ų480%028%0.277CS..EExtended strand (participates in β ladder)trans-124.6120.9-174.3-56.1160.7000108.1P105 L143 L160 L162 L169 T192 L193 I195P105-I141 HydrophobicContact CB-CG2 3.83Å; P105-I141 HydrophobicContact CG-CG2 3.65Å; I141-L143 HydrophobicContact CG2-CD2 4.01Å; I141-L143 HydrophobicContact CG2-CG 4.07Å; I141-L143 PolarHBondContact O-N 2.8Å; I141-L160 HydrophobicContact CD1-CD2 4.19Å; I141-L162 HydrophobicContact CD1-CD1 3.78Å; I141-L162 HydrophobicContact CG2-CD1 4.44Å; I141-L169 HydrophobicContact CD1-CD2 3.67Å; I141-L169 HydrophobicContact CG1-CD2 3.82Å; I141-L169 HydrophobicContact CG2-CD2 4.08Å; I141-T192 WeakPolarHBondContact O-CA 3.4Å; I141-L193 PolarHBondContact N-O 2.79Å; I141-L193 PolarHBondContact O-N 3.11Å; I141-I195 HydrophobicContact CD1-CD1 3.88Å
142K93.6Very high89.2Confident94 Ų9450.7 Ų50.741%0.40928%0.284SS..EExtended strand (participates in β ladder)trans-81.8116.9179.1-66.6-178.2-174.8164.60110.2P105 E106 P144P105-K142 WeakPolarHBondContact CB-O 3.41Å; E106-K142 HydrophobicContact CB-CB 4.38Å; E106-K142 HydrophobicContact CB-CD 4.28Å; E106-K142 HydrophobicContact CG-CD 4.42Å; E106-K142 PolarHBondContact O-N 3.1Å; E106-K142 IonicContact OE1-NZ 2.71Å; E106-K142 PolarHBondContact OE1-NZ 2.69Å; E106-K142 WeakPolarHBondContact OE2-CD 3.46Å; E106-K142 IonicContact OE2-NZ 3.06Å; E106-K142 PolarHBondContact OE2-NZ 2.95Å; K142-P144 VanDerWaalsContact C-CD 3.42Å; K142-P144 WeakPolarHBondContact O-CD 3.48Å
143L90.8Very high89.7Confident0 Ų049.6 Ų49.60%027%0.272CS..  trans-123.468.6-177.7-63.4174000110.4P105 I141 T146 I151 L162 T164 K167 E191 L193P105-L143 HydrophobicContact CB-CD2 3.92Å; P105-L143 HydrophobicContact CG-CD2 4.18Å; I141-L143 HydrophobicContact CG2-CD2 4.01Å; I141-L143 HydrophobicContact CG2-CG 4.07Å; I141-L143 PolarHBondContact O-N 2.8Å; L143-T146 WeakPolarHBondContact O-CB 3.2Å; L143-T146 PolarHBondContact O-N 2.89Å; L143-I151 HydrophobicContact CD1-CD1 3.86Å; L143-I151 HydrophobicContact CD1-CG1 4.43Å; L143-L162 HydrophobicContact CD1-CD1 4.07Å; L143-L162 HydrophobicContact CD1-CD2 4.4Å; L143-L162 HydrophobicContact CD2-CD2 4.08Å; L143-T164 HydrophobicContact CD1-CG2 4.41Å; L143-T164 HydrophobicContact CD2-CG2 4.37Å; L143-K167 HydrophobicContact CD2-CD 4.41Å; L143-E191 CarbonylContact C-O 3.46Å; L143-E191 PolarHBondContact N-O 3.44Å; L143-L193 HydrophobicContact CD1-CB 3.94Å; L143-L193 HydrophobicContact CD1-CD2 4.19Å
144P87.2Confident90.1Very high44 Ų4452 Ų5229%0.28628%0.283SS..THydrogen-bonded Turntrans-61.6143.6179.226.8-36.6000111.5K142 T146 K167 E191K142-P144 VanDerWaalsContact C-CD 3.42Å; K142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-T146 PolarHBondContact O-N 3.29Å; P144-T146 VanDerWaalsContact O-N 3.17Å; P144-T146 PolarHBondContact O-OG1 3.37Å; P144-K167 VanDerWaalsContact CG-NZ 3.34Å; P144-E191 VanDerWaalsContact CA-OE2 3.23Å; P144-E191 WeakPolarHBondContact CA-OE2 3.22Å; P144-E191 WeakPolarHBondContact CB-OE2 3.49Å
145N83.3Confident90.3Very high131 Ų13153.1 Ų53.170%0.70129%0.288SS*.THydrogen-bonded Turntrans56.723.8179.1-51.9-78000115.1E191N145-E191 PolarHBondContact N-OE1 2.99Å
146T84.4Confident90.4Very high13 Ų1356.2 Ų56.28%0.0830%0.299CS..  trans-105.7134.6179.3-57.30000110.6L143 P144 I151 T164 Y186L143-T146 WeakPolarHBondContact O-CB 3.2Å; L143-T146 PolarHBondContact O-N 2.89Å; P144-T146 PolarHBondContact O-N 3.29Å; P144-T146 VanDerWaalsContact O-N 3.17Å; P144-T146 PolarHBondContact O-OG1 3.37Å; T146-I151 HydrophobicContact CG2-CD1 4.43Å; T146-I151 HydrophobicContact CG2-CG1 4Å; T146-T164 HydrophobicContact CG2-CG2 4.02Å; T146-Y186 PolarHBondContact O-OH 2.96Å
147N86.3Confident90.4Very high100 Ų10058.9 Ų58.954%0.53531%0.312SS..  trans-79.2139.7172.8-57.2-64.4000110.1S149 D150N147-S149 PolarHBondContact O-N 3.45Å; N147-D150 WeakPolarHBondContact CB-OD2 3.16Å; N147-D150 PolarHBondContact ND2-OD2 3.15Å; N147-D150 VanDerWaalsContact ND2-OD2 3.15Å; N147-D150 PolarHBondContact O-N 3.01Å; N147-D150 VanDerWaalsContact O-N 3.12Å
148P84.1Confident90.3Very high71 Ų7162 Ų6246%0.46133%0.331SS..G310 helixtrans-62.8-26.4179.724.5-33.9000113.6D150 I151 Y186P148-D150 VanDerWaalsContact C-N 3.29Å; P148-D150 PolarHBondContact O-N 3.02Å; P148-I151 PolarHBondContact O-N 2.69Å; P148-Y186 HydrophobicContact CB-CD1 3.79Å; P148-Y186 HydrophobicContact CB-CE1 4.34Å; P148-Y186 HydrophobicContact CB-CG 4.04Å; P148-Y186 HydrophobicContact CG-CD1 4.16Å; P148-Y186 HydrophobicContact CG-CE1 4.41Å
149S87.2Confident90.1Very high114 Ų11463 Ų6380%0.79734%0.336SS*.G310 helixtrans-72.9-20.1178.8-57.80000114N147 I151N147-S149 PolarHBondContact O-N 3.45Å; S149-I151 VanDerWaalsContact C-N 3.35Å
150D88Confident90Very high81 Ų8163 Ų6343%0.43334%0.336SS..G310 helixtrans-93.42.1-178.9-60.8-40.6000112.1N147 P148 P165N147-D150 WeakPolarHBondContact CB-OD2 3.16Å; N147-D150 PolarHBondContact ND2-OD2 3.15Å; N147-D150 VanDerWaalsContact ND2-OD2 3.15Å; N147-D150 PolarHBondContact O-N 3.01Å; N147-D150 VanDerWaalsContact O-N 3.12Å; P148-D150 VanDerWaalsContact C-N 3.29Å; P148-D150 PolarHBondContact O-N 3.02Å; D150-P165 HydrophobicContact CB-CG 3.94Å
151I90.9Very high89.9Confident28 Ų2860.4 Ų60.414%0.14433%0.325CS..  trans-88.4117.4-178.1-52.8177.5000109.1L143 T146 P148 S149 I153 L162 T164 Y186 L193L143-I151 HydrophobicContact CD1-CD1 3.86Å; L143-I151 HydrophobicContact CD1-CG1 4.43Å; T146-I151 HydrophobicContact CG2-CD1 4.43Å; T146-I151 HydrophobicContact CG2-CG1 4Å; P148-I151 PolarHBondContact O-N 2.69Å; S149-I151 VanDerWaalsContact C-N 3.35Å; I151-I153 HydrophobicContact CG2-CD1 4.15Å; I151-I153 HydrophobicContact CG2-CG1 3.77Å; I151-L162 HydrophobicContact CG2-CD1 4.2Å; I151-L162 HydrophobicContact CG2-CG 4.45Å; I151-T164 HydrophobicContact CG1-CG2 4.24Å; I151-T164 HydrophobicContact CG2-CG2 4.4Å; I151-Y186 HydrophobicContact CD1-CD2 3.93Å; I151-Y186 HydrophobicContact CD1-CE2 4.24Å; I151-L193 HydrophobicContact CG2-CD2 4.1Å
152Q91.6Very high89.8Confident134 Ų13460.4 Ų60.463%0.62633%0.325SS*.EExtended strand (participates in β ladder)trans-105.5128.7169.4-173.7175.410.600109.2R163Q152-R163 HydrophobicContact CB-CB 4.4Å; Q152-R163 PolarHBondContact N-O 3.28Å; Q152-R163 PolarHBondContact O-N 2.93Å
153I92.2Very high89.6Confident51 Ų5161 Ų6126%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-125.8127-179.1-47.7169.1000107.6I151 I155 L160 D161 A184 L193 I195I151-I153 HydrophobicContact CG2-CD1 4.15Å; I151-I153 HydrophobicContact CG2-CG1 3.77Å; I153-I155 HydrophobicContact CG2-CD1 4.08Å; I153-I155 HydrophobicContact CG2-CG1 3.77Å; I153-L160 HydrophobicContact CG2-CD1 3.96Å; I153-D161 WeakPolarHBondContact CA-O 3.45Å; I153-A184 HydrophobicContact CD1-CB 3.71Å; I153-L193 HydrophobicContact CD1-CD1 4.25Å; I153-L193 HydrophobicContact CD1-CD2 3.69Å; I153-L193 HydrophobicContact CD1-CG 4.49Å; I153-L193 HydrophobicContact CG1-CD2 4.29Å; I153-I195 HydrophobicContact CD1-CD1 4.31Å; I153-I195 HydrophobicContact CG2-CD1 4.01Å
154D92Very high89.5Confident81 Ų8161.2 Ų61.243%0.43333%0.326SS..EExtended strand (participates in β ladder)trans-118125.9169-165.870.6000108.4Q156 D161D154-Q156 PolarHBondContact OD2-NE2 3.24Å; D154-D161 HydrophobicContact CB-CB 4.25Å; D154-D161 PolarHBondContact N-O 2.8Å; D154-D161 PolarHBondContact O-N 2.85Å
155I91.9Very high89.5Confident34 Ų3463.6 Ų63.617%0.17434%0.341CS..EExtended strand (participates in β ladder)trans-120.8114.7-175.8-54176.6000107.8I153 L160 V177 C179 A182 I195I153-I155 HydrophobicContact CG2-CD1 4.08Å; I153-I155 HydrophobicContact CG2-CG1 3.77Å; I155-L160 HydrophobicContact CD1-CD1 4.48Å; I155-L160 HydrophobicContact CG1-CD1 3.81Å; I155-V177 HydrophobicContact CG2-CG2 4.31Å; I155-C179 PolarHBondContact O-SG 3.27Å; I155-A182 HydrophobicContact CD1-CB 3.52Å; I155-A182 HydrophobicContact CG2-CB 4.45Å; I155-I195 HydrophobicContact CD1-CG2 3.71Å
156Q91.8Very high89.6Confident92 Ų9263 Ų6343%0.4333%0.334SS..  trans-105.3175.9173.7-56.8-173.6-10.600109.8D154 T158 I159 V177D154-Q156 PolarHBondContact OD2-NE2 3.24Å; Q156-T158 PolarHBondContact O-N 3.33Å; Q156-I159 HydrophobicContact CB-CB 4.19Å; Q156-I159 PolarHBondContact N-O 3.37Å; Q156-V177 WeakPolarHBondContact O-CG2 3.35Å
157E90.6Very high89.7Confident90 Ų9063.7 Ų63.742%0.42134%0.336SS..SBendtrans-62.4-31.7-177.6-68.4-170.6131.300112.5L176 V177 K200E157-L176 HydrophobicContact CB-CD2 4.15Å; E157-L176 WeakPolarHBondContact O-CA 3.43Å; E157-V177 PolarHBondContact O-N 2.95Å; E157-K200 IonicContact OE1-NZ 2.75Å; E157-K200 PolarHBondContact OE1-NZ 3.28Å
158T90.6Very high89.9Confident66 Ų6659.9 Ų59.941%0.40532%0.315SS..SBendtrans-127.4-1.5-177.753.20000113.9Q156 T172 L173 L176Q156-T158 PolarHBondContact O-N 3.33Å; T158-T172 CarbonylContact O-C 3.55Å; T158-T172 VanDerWaalsContact O-CA 3.3Å; T158-T172 WeakPolarHBondContact O-CA 3.46Å; T158-L173 PolarHBondContact O-N 3.2Å; T158-L176 HydrophobicContact CG2-CD2 3.31Å; T158-L176 HydrophobicContact CG2-CG 4.48Å
159I92Very high90.2Very high26 Ų2656.6 Ų56.613%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-132.7136.2-172-58.9176.9000109.4Q156 L170 T172Q156-I159 HydrophobicContact CB-CB 4.19Å; Q156-I159 PolarHBondContact N-O 3.37Å; I159-L170 HydrophobicContact CG2-CD1 3.51Å; I159-L170 HydrophobicContact CG2-CG 4.48Å; I159-T172 HydrophobicContact CG1-CG2 4.43Å
160L92.6Very high90.4Very high0 Ų053.7 Ų53.70%027%0.269CS..EExtended strand (participates in β ladder)trans-116.2112.9170174.965.9000108.8A139 I141 I153 I155 L170 I171 L173 I195A139-L160 HydrophobicContact CB-CD2 4.01Å; I141-L160 HydrophobicContact CD1-CD2 4.19Å; I153-L160 HydrophobicContact CG2-CD1 3.96Å; I155-L160 HydrophobicContact CD1-CD1 4.48Å; I155-L160 HydrophobicContact CG1-CD1 3.81Å; L160-L170 WeakPolarHBondContact O-CA 3.47Å; L160-I171 HydrophobicContact CB-CG1 3.91Å; L160-I171 HydrophobicContact CD2-CD1 4.04Å; L160-I171 HydrophobicContact CD2-CG1 4.19Å; L160-I171 HydrophobicContact CG-CG1 4.41Å; L160-I171 PolarHBondContact N-O 3.09Å; L160-I171 PolarHBondContact O-N 3Å; L160-L173 HydrophobicContact CB-CD2 4.09Å; L160-L173 HydrophobicContact CB-CG 4.38Å; L160-I195 HydrophobicContact CD1-CD1 3.9Å; L160-I195 HydrophobicContact CD2-CD1 4.14Å
161D92.1Very high90.6Very high18 Ų1850.6 Ų50.610%0.09625%0.252CS..EExtended strand (participates in β ladder)trans-106.7117.9172.8-171.3-6.8000109.3I153 D154 R163 L169 L170I153-D161 WeakPolarHBondContact CA-O 3.45Å; D154-D161 HydrophobicContact CB-CB 4.25Å; D154-D161 PolarHBondContact N-O 2.8Å; D154-D161 PolarHBondContact O-N 2.85Å; D161-R163 VanDerWaalsContact OD1-CG 3.22Å; D161-R163 WeakPolarHBondContact OD1-CG 3.47Å; D161-R163 IonicContact OD1-NE 2.71Å; D161-R163 PolarHBondContact OD1-NE 3.23Å; D161-R163 IonicContact OD2-CZ 3.76Å; D161-R163 IonicContact OD2-NE 2.8Å; D161-R163 PolarHBondContact OD2-NE 3.41Å; D161-R163 IonicContact OD2-NH2 3Å; D161-R163 PolarHBondContact OD2-NH2 3.17Å; D161-L169 CarbonylContact C-O 3.59Å; D161-L169 WeakPolarHBondContact CA-O 3.41Å; D161-L170 HydrophobicContact CB-CD1 3.64Å
162L92.1Very high90.6Very high0 Ų053.8 Ų53.80%027%0.273CS..EExtended strand (participates in β ladder)trans-116.5124.2172.3176147.8000109.2I141 L143 I151 T164 K168 L169 L193I141-L162 HydrophobicContact CD1-CD1 3.78Å; I141-L162 HydrophobicContact CG2-CD1 4.44Å; L143-L162 HydrophobicContact CD1-CD1 4.07Å; L143-L162 HydrophobicContact CD1-CD2 4.4Å; L143-L162 HydrophobicContact CD2-CD2 4.08Å; I151-L162 HydrophobicContact CG2-CD1 4.2Å; I151-L162 HydrophobicContact CG2-CG 4.45Å; L162-T164 HydrophobicContact CD2-CG2 3.83Å; L162-K168 WeakPolarHBondContact O-CA 3.31Å; L162-L169 HydrophobicContact CB-CB 4.21Å; L162-L169 HydrophobicContact CD2-CB 4.39Å; L162-L169 PolarHBondContact N-O 3.2Å; L162-L169 PolarHBondContact O-N 3.15Å; L162-L193 HydrophobicContact CD1-CD2 3.26Å
163R89.4Confident90.6Very high106 Ų10648.1 Ų48.140%0.425%0.247SC..EExtended strand (participates in β ladder)trans-122.2127.2179-59.4-175.4-175.3-178.81.2110Q152 D161Q152-R163 HydrophobicContact CB-CB 4.4Å; Q152-R163 PolarHBondContact N-O 3.28Å; Q152-R163 PolarHBondContact O-N 2.93Å; D161-R163 VanDerWaalsContact OD1-CG 3.22Å; D161-R163 WeakPolarHBondContact OD1-CG 3.47Å; D161-R163 IonicContact OD1-NE 2.71Å; D161-R163 PolarHBondContact OD1-NE 3.23Å; D161-R163 IonicContact OD2-CZ 3.76Å; D161-R163 IonicContact OD2-NE 2.8Å; D161-R163 PolarHBondContact OD2-NE 3.41Å; D161-R163 IonicContact OD2-NH2 3Å; D161-R163 PolarHBondContact OD2-NH2 3.17Å
164T89.3Confident90.5Very high5 Ų549.3 Ų49.33%0.03126%0.258CS..  trans-128.7167.816970.30000108.8R102 L143 T146 I151 L162 Q166 K167R102-T164 PolarHBondContact NH1-O 2.71Å; L143-T164 HydrophobicContact CD1-CG2 4.41Å; L143-T164 HydrophobicContact CD2-CG2 4.37Å; T146-T164 HydrophobicContact CG2-CG2 4.02Å; I151-T164 HydrophobicContact CG1-CG2 4.24Å; I151-T164 HydrophobicContact CG2-CG2 4.4Å; L162-T164 HydrophobicContact CD2-CG2 3.83Å; T164-Q166 PolarHBondContact O-N 3.11Å; T164-K167 WeakPolarHBondContact CA-O 3.32Å; T164-K167 PolarHBondContact N-O 3.37Å; T164-K167 WeakPolarHBondContact OG1-CA 3.35Å; T164-K167 WeakPolarHBondContact OG1-CB 3.41Å; T164-K167 PolarHBondContact OG1-N 3.38Å; T164-K167 PolarHBondContact OG1-O 3Å
165P86.3Confident90.3Very high94 Ų9449.4 Ų49.461%0.6126%0.256SS*.SBendtrans-60.2-30.4177.9-25.935.4000113.7D150D150-P165 HydrophobicContact CB-CG 3.94Å
166Q85.8Confident90.2Very high118 Ų11851.4 Ų51.455%0.55127%0.267SS*.SBendtrans-107.4-28.2-174.3-64.3-176.8-400113.5R102 T164R102-Q166 WeakPolarHBondContact CB-O 3.43Å; T164-Q166 PolarHBondContact O-N 3.11Å
167K87.9Confident90.1Very high28 Ų2847 Ų4712%0.12225%0.246CC..BIsolated β-bridgetrans-132.6145.7-171.5-60.8-169.9180179.40111.7E103 P105 L143 P144 T164E103-K167 VanDerWaalsContact O-CA 3.23Å; E103-K167 WeakPolarHBondContact O-CA 3.42Å; E103-K167 VanDerWaalsContact O-CB 3.26Å; E103-K167 WeakPolarHBondContact O-CB 3.21Å; E103-K167 WeakPolarHBondContact O-CG 3.2Å; P105-K167 HydrophobicContact CB-CD 3.9Å; P105-K167 HydrophobicContact CG-CB 4.49Å; L143-K167 HydrophobicContact CD2-CD 4.41Å; P144-K167 VanDerWaalsContact CG-NZ 3.34Å; T164-K167 WeakPolarHBondContact CA-O 3.32Å; T164-K167 PolarHBondContact N-O 3.37Å; T164-K167 WeakPolarHBondContact OG1-CA 3.35Å; T164-K167 WeakPolarHBondContact OG1-CB 3.41Å; T164-K167 PolarHBondContact OG1-N 3.38Å; T164-K167 PolarHBondContact OG1-O 3Å
168K90.3Very high90.2Very high20 Ų2047.7 Ų47.79%0.08725%0.25CC..EExtended strand (participates in β ladder)trans-130.2138.4174.1177.9179.8173.5176.90108.7D97 D100 R102 E103 P105 L162D97-K168 IonicContact OD2-NZ 3.15Å; D97-K168 PolarHBondContact OD2-NZ 3.13Å; D100-K168 WeakPolarHBondContact OD2-CD 3.44Å; R102-K168 HydrophobicContact CB-CB 4.12Å; E103-K168 PolarHBondContact O-N 2.88Å; P105-K168 VanDerWaalsContact CD-O 3.29Å; P105-K168 WeakPolarHBondContact CD-O 3.17Å; L162-K168 WeakPolarHBondContact O-CA 3.31Å
169L90.8Very high90.1Very high2 Ų247.3 Ų47.31%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-132.7118.5172-177.669.4000108.1I104 P105 Y107 I141 D161 L162 I171I104-L169 HydrophobicContact CG2-CD1 3.62Å; P105-L169 HydrophobicContact CG-CB 3.79Å; P105-L169 HydrophobicContact CG-CD1 4.42Å; P105-L169 HydrophobicContact CG-CD2 4.33Å; P105-L169 HydrophobicContact CG-CG 4.42Å; Y107-L169 HydrophobicContact CD1-CD1 3.49Å; Y107-L169 VanDerWaalsContact CD1-CD1 3.49Å; Y107-L169 HydrophobicContact CD1-CD2 4.22Å; Y107-L169 HydrophobicContact CE1-CD1 3.77Å; Y107-L169 HydrophobicContact CG-CD1 4.16Å; Y107-L169 HydrophobicContact CG-CD2 4.08Å; I141-L169 HydrophobicContact CD1-CD2 3.67Å; I141-L169 HydrophobicContact CG1-CD2 3.82Å; I141-L169 HydrophobicContact CG2-CD2 4.08Å; D161-L169 CarbonylContact C-O 3.59Å; D161-L169 WeakPolarHBondContact CA-O 3.41Å; L162-L169 HydrophobicContact CB-CB 4.21Å; L162-L169 HydrophobicContact CD2-CB 4.39Å; L162-L169 PolarHBondContact N-O 3.2Å; L162-L169 PolarHBondContact O-N 3.15Å; L169-I171 HydrophobicContact CD1-CG2 3.54Å; L169-I171 HydrophobicContact CD2-CD1 4.33Å; L169-I171 HydrophobicContact CD2-CG2 4.49Å; L169-I171 HydrophobicContact CG-CG2 3.87Å
170L91.1Very high90Very high53 Ų5350.6 Ų50.628%0.27728%0.28SS..EExtended strand (participates in β ladder)trans-121.7111170.1-178.268.3000106.5H95 I159 L160 D161H95-L170 HydrophobicContact CB-CD2 3.79Å; I159-L170 HydrophobicContact CG2-CD1 3.51Å; I159-L170 HydrophobicContact CG2-CG 4.48Å; L160-L170 WeakPolarHBondContact O-CA 3.47Å; D161-L170 HydrophobicContact CB-CD1 3.64Å
171I91Very high89.7Confident16 Ų1651.9 Ų51.98%0.08229%0.289CS..EExtended strand (participates in β ladder)trans-128.9145-179.462.2175000110.6Y107 I109 L160 L169Y107-I171 HydrophobicContact CD2-CD1 3.96Å; Y107-I171 HydrophobicContact CE1-CG2 4.11Å; Y107-I171 HydrophobicContact CE2-CD1 4Å; Y107-I171 HydrophobicContact CE2-CG2 4.14Å; I109-I171 HydrophobicContact CD1-CD1 4.05Å; I109-I171 HydrophobicContact CG1-CD1 4.47Å; L160-I171 HydrophobicContact CB-CG1 3.91Å; L160-I171 HydrophobicContact CD2-CD1 4.04Å; L160-I171 HydrophobicContact CD2-CG1 4.19Å; L160-I171 HydrophobicContact CG-CG1 4.41Å; L160-I171 PolarHBondContact N-O 3.09Å; L160-I171 PolarHBondContact O-N 3Å; L169-I171 HydrophobicContact CD1-CG2 3.54Å; L169-I171 HydrophobicContact CD2-CD1 4.33Å; L169-I171 HydrophobicContact CD2-CG2 4.49Å; L169-I171 HydrophobicContact CG-CG2 3.87Å
172T91.6Very high89.6Confident96 Ų9652.4 Ų52.459%0.58930%0.296SS*.EExtended strand (participates in β ladder)trans-83.3132.8167.650.10000109.3T158 I159T158-T172 CarbonylContact O-C 3.55Å; T158-T172 VanDerWaalsContact O-CA 3.3Å; T158-T172 WeakPolarHBondContact O-CA 3.46Å; I159-T172 HydrophobicContact CG1-CG2 4.43Å
173L91.6Very high89.6Confident14 Ų1459.9 Ų59.97%0.07333%0.328CS..  trans-80.2143.1178.1-61.4173.2000109.4L137 T158 L160 E175 V177 M197L137-L173 HydrophobicContact CD2-CD2 3.96Å; T158-L173 PolarHBondContact O-N 3.2Å; L160-L173 HydrophobicContact CB-CD2 4.09Å; L160-L173 HydrophobicContact CB-CG 4.38Å; L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.47Å; L173-V177 HydrophobicContact CD1-CB 4.43Å; L173-V177 HydrophobicContact CD1-CG1 4.02Å; L173-V177 HydrophobicContact CD1-CG2 3.54Å; L173-M197 HydrophobicContact CD1-SD 3.56Å; L173-M197 VanDerWaalsContact CD1-SD 3.56Å; L173-M197 HydrophobicContact CD2-CE 4.44Å; L173-M197 HydrophobicContact CD2-SD 4.12Å; L173-M197 HydrophobicContact CG-SD 4.5Å
174P89.8Confident89.8Confident77 Ų7757.5 Ų57.550%0.533%0.331SS..SBendtrans-69.8-25.4-17927.5-34.7000113.2F111 L137F111-P174 HydrophobicContact CE1-CG 4.39Å; F111-P174 HydrophobicContact CZ-CB 4.41Å; F111-P174 HydrophobicContact CZ-CG 3.78Å; L137-P174 HydrophobicContact CD1-CG 4.47Å
175E87.4Confident90Very high82 Ų8263.8 Ų63.838%0.38336%0.358SS..SBendtrans-130.9155.4-177.5-78.7-71.8-177.900109.9F111 L173 M199F111-E175 HydrophobicContact CE1-CG 4.47Å; L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 PolarHBondContact O-N 3.47Å; E175-M199 HydrophobicContact CB-CG 4.09Å; E175-M199 HydrophobicContact CB-SD 3.83Å; E175-M199 HydrophobicContact CG-SD 3.98Å
176L89.7Confident90.3Very high76 Ų7661.2 Ų61.240%0.39834%0.337SS..  trans-68.3138174.4-68.5167.8000110.2E157 T158 M199 K200E157-L176 HydrophobicContact CB-CD2 4.15Å; E157-L176 WeakPolarHBondContact O-CA 3.43Å; T158-L176 HydrophobicContact CG2-CD2 3.31Å; T158-L176 HydrophobicContact CG2-CG 4.48Å; L176-M199 CarbonylContact O-C 3.51Å; L176-M199 WeakPolarHBondContact O-CA 3.47Å; L176-K200 HydrophobicContact CB-CB 4.36Å; L176-K200 PolarHBondContact O-N 3.07Å
177V91.1Very high90.6Very high0 Ų057.3 Ų57.30%032%0.319CS..EExtended strand (participates in β ladder)trans-125.3150.8-178.9-56.80000112.6L137 I155 Q156 E157 L173 C179 M197 T198 M199L137-V177 HydrophobicContact CD2-CG1 4.25Å; I155-V177 HydrophobicContact CG2-CG2 4.31Å; Q156-V177 WeakPolarHBondContact O-CG2 3.35Å; E157-V177 PolarHBondContact O-N 2.95Å; L173-V177 HydrophobicContact CD1-CB 4.43Å; L173-V177 HydrophobicContact CD1-CG1 4.02Å; L173-V177 HydrophobicContact CD1-CG2 3.54Å; V177-C179 PolarHBondContact O-N 2.75Å; V177-M197 HydrophobicContact CB-CB 4.23Å; V177-M197 HydrophobicContact CB-CG 4.07Å; V177-M197 HydrophobicContact CB-SD 4.01Å; V177-M197 HydrophobicContact CG1-CB 4.44Å; V177-M197 HydrophobicContact CG1-CG 3.76Å; V177-M197 HydrophobicContact CG1-SD 3.64Å; V177-M197 HydrophobicContact CG2-CG 4.45Å; V177-M197 HydrophobicContact CG2-SD 3.83Å; V177-T198 WeakPolarHBondContact CA-O 3.37Å; V177-M199 HydrophobicContact CG1-CG 4.38Å
178E91.3Very high90.7Very high105 Ų10559.9 Ų59.949%0.49134%0.339SS..EExtended strand (participates in β ladder)trans-86.6105.6174-177.9169-133.200110.4A180 S181 T198E178-A180 HydrophobicContact CG-CB 4.33Å; E178-A180 PolarHBondContact O-N 2.73Å; E178-A180 VanDerWaalsContact O-N 3.15Å; E178-S181 WeakPolarHBondContact O-CB 3.38Å; E178-S181 PolarHBondContact O-N 3.21Å; E178-S181 PolarHBondContact O-OG 2.71Å; E178-T198 PolarHBondContact N-O 3Å
179C89.1Confident90.7Very high57 Ų5766.7 Ų66.739%0.38537%0.371SS..EExtended strand (participates in β ladder)trans-54.1-36.3-178.6-54.90000113.3I155 V177 S181 A182I155-C179 PolarHBondContact O-SG 3.27Å; V177-C179 PolarHBondContact O-N 2.75Å; C179-S181 VanDerWaalsContact C-N 3.27Å; C179-S181 PolarHBondContact O-N 2.98Å; C179-A182 WeakPolarHBondContact O-CB 3.4Å; C179-A182 PolarHBondContact O-N 3.32Å
180A89.2Confident90.7Very high96 Ų9670.6 Ų70.679%0.79340%0.395SS*.EExtended strand (participates in β ladder)trans-69.3-23.9-178.900000113.6E178 A182E178-A180 HydrophobicContact CG-CB 4.33Å; E178-A180 PolarHBondContact O-N 2.73Å; E178-A180 VanDerWaalsContact O-N 3.15Å; A180-A182 VanDerWaalsContact C-N 3.35Å
181S86.9Confident90.6Very high26 Ų2671.5 Ų71.518%0.18240%0.398CS..EExtended strand (participates in β ladder)trans-85.1-10.318075.40000113.3E178 C179 T198E178-S181 WeakPolarHBondContact O-CB 3.38Å; E178-S181 PolarHBondContact O-N 3.21Å; E178-S181 PolarHBondContact O-OG 2.71Å; C179-S181 VanDerWaalsContact C-N 3.27Å; C179-S181 PolarHBondContact O-N 2.98Å; S181-T198 WeakPolarHBondContact CB-OG1 3.42Å; S181-T198 VanDerWaalsContact OG-CB 3.22Å; S181-T198 WeakPolarHBondContact OG-CB 3.42Å; S181-T198 PolarHBondContact OG-N 2.85Å; S181-T198 PolarHBondContact OG-OG1 3.1Å
182A90.4Very high90.7Very high30 Ų3071.6 Ų71.625%0.24840%0.399CS..EExtended strand (participates in β ladder)trans-68.7135.2-170.600000112.4I155 C179 A180 T196 M197I155-A182 HydrophobicContact CD1-CB 3.52Å; I155-A182 HydrophobicContact CG2-CB 4.45Å; C179-A182 WeakPolarHBondContact O-CB 3.4Å; C179-A182 PolarHBondContact O-N 3.32Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A182-T196 CarbonylContact C-O 3.55Å; A182-T196 WeakPolarHBondContact CA-O 3.43Å; A182-M197 HydrophobicContact CB-CB 4.32Å
183K93Very high90.8Very high157 Ų15767.2 Ų67.268%0.68337%0.372SS*.EExtended strand (participates in β ladder)trans-130.7125.6178.8-66.6174.5-174168.90108.9I195 T196K183-I195 CarbonylContact O-C 3.58Å; K183-I195 WeakPolarHBondContact O-CA 3.49Å; K183-T196 PolarHBondContact N-O 2.81Å; K183-T196 PolarHBondContact O-N 3.26Å
184A92.9Very high91Very high56 Ų5668.8 Ų68.846%0.46338%0.379SS..EExtended strand (participates in β ladder)trans-108.7135.5174.800000110.4I153 L193 E194 I195I153-A184 HydrophobicContact CD1-CB 3.71Å; A184-L193 HydrophobicContact CB-CD1 4.43Å; A184-E194 CarbonylContact C-O 3.52Å; A184-E194 WeakPolarHBondContact CA-O 3.41Å; A184-I195 HydrophobicContact CB-CG1 4.27Å
185F92.6Very high91.2Very high136 Ų13665.1 Ų65.160%0.59636%0.355SS*.EExtended strand (participates in β ladder)trans-133.1125.4176.6-172.9-104.9000109.9I187 E194F185-I187 HydrophobicContact CD1-CD1 4.45Å; F185-I187 HydrophobicContact CD1-CG1 3.59Å; F185-I187 HydrophobicContact CE1-CG1 3.69Å; F185-E194 PolarHBondContact N-O 3.28Å; F185-E194 PolarHBondContact O-N 3.38Å
186Y93.1Very high91.6Very high41 Ų4162 Ų6216%0.16134%0.342CS..EExtended strand (participates in β ladder)trans-96122.5175.4-177.3-103.1000109.9T146 P148 I151 P188 L193T146-Y186 PolarHBondContact O-OH 2.96Å; P148-Y186 HydrophobicContact CB-CD1 3.79Å; P148-Y186 HydrophobicContact CB-CE1 4.34Å; P148-Y186 HydrophobicContact CB-CG 4.04Å; P148-Y186 HydrophobicContact CG-CD1 4.16Å; P148-Y186 HydrophobicContact CG-CE1 4.41Å; I151-Y186 HydrophobicContact CD1-CD2 3.93Å; I151-Y186 HydrophobicContact CD1-CE2 4.24Å; Y186-P188 HydrophobicContact CE1-CB 4.23Å; Y186-P188 WeakPolarHBondContact O-CD 3.48Å; Y186-L193 HydrophobicContact CD2-CB 4.32Å; Y186-L193 HydrophobicContact CD2-CD1 4.41Å
187I93.1Very high91.8Very high35 Ų3558.4 Ų58.418%0.17932%0.323CS..EExtended strand (participates in β ladder)trans-97.4105.1179-55.6170.1000107.7F185 E189 T190 E191 T192F185-I187 HydrophobicContact CD1-CD1 4.45Å; F185-I187 HydrophobicContact CD1-CG1 3.59Å; F185-I187 HydrophobicContact CE1-CG1 3.69Å; I187-E189 VanDerWaalsContact C-N 3.3Å; I187-E189 HydrophobicContact CG2-CB 4.48Å; I187-E189 WeakPolarHBondContact CG2-OE2 3.5Å; I187-E189 PolarHBondContact O-N 2.97Å; I187-T190 HydrophobicContact CG2-CG2 4.46Å; I187-T190 WeakPolarHBondContact CG2-OG1 2.76Å; I187-E191 WeakPolarHBondContact O-CA 3.47Å; I187-E191 PolarHBondContact O-N 3.08Å; I187-T192 PolarHBondContact N-O 3.02Å; I187-T192 PolarHBondContact O-N 3.28Å
188P89.1Confident91.8Very high83 Ų8360.7 Ų60.754%0.53934%0.337SS..THydrogen-bonded Turntrans-70.7-24.8-177.429.6-35.1000112.7Y186 T190Y186-P188 HydrophobicContact CE1-CB 4.23Å; Y186-P188 WeakPolarHBondContact O-CD 3.48Å; P188-T190 VanDerWaalsContact C-N 3.34Å; P188-T190 PolarHBondContact O-N 3.43Å
189E90.4Very high91.8Very high162 Ų16256 Ų5676%0.75732%0.316SS*.THydrogen-bonded Turntrans-68.7-33.2179.6-59.394.9171.400112.9I187I187-E189 VanDerWaalsContact C-N 3.3Å; I187-E189 HydrophobicContact CG2-CB 4.48Å; I187-E189 WeakPolarHBondContact CG2-OE2 3.5Å; I187-E189 PolarHBondContact O-N 2.97Å
190T89.7Confident91.7Very high85 Ų8558.7 Ų58.752%0.52132%0.321SS..THydrogen-bonded Turntrans-109.84-179.261.40000112.7I187 P188 T192I187-T190 HydrophobicContact CG2-CG2 4.46Å; I187-T190 WeakPolarHBondContact CG2-OG1 2.76Å; P188-T190 VanDerWaalsContact C-N 3.34Å; P188-T190 PolarHBondContact O-N 3.43Å; T190-T192 PolarHBondContact O-N 3.48Å; T190-T192 VanDerWaalsContact O-N 3.1Å; T190-T192 PolarHBondContact O-OG1 2.93Å; T190-T192 WeakPolarHBondContact OG1-CB 2.95Å; T190-T192 PolarHBondContact OG1-OG1 3.33Å
191E90.3Very high91.2Very high72 Ų7256.4 Ų56.434%0.33629%0.292SS..THydrogen-bonded Turntrans44.641.9-173.2-57.8-173.9126.500112L143 P144 N145 I187L143-E191 CarbonylContact C-O 3.46Å; L143-E191 PolarHBondContact N-O 3.44Å; P144-E191 VanDerWaalsContact CA-OE2 3.23Å; P144-E191 WeakPolarHBondContact CA-OE2 3.22Å; P144-E191 WeakPolarHBondContact CB-OE2 3.49Å; N145-E191 PolarHBondContact N-OE1 2.99Å; I187-E191 WeakPolarHBondContact O-CA 3.47Å; I187-E191 PolarHBondContact O-N 3.08Å
192T92.6Very high90.2Very high17 Ų1762.7 Ų62.710%0.10432%0.323CS..EExtended strand (participates in β ladder)trans-119.8131.2-173.8-55.30000109.8K140 I141 I187 T190K140-T192 HydrophobicContact CB-CG2 4.14Å; I141-T192 WeakPolarHBondContact O-CA 3.4Å; I187-T192 PolarHBondContact N-O 3.02Å; I187-T192 PolarHBondContact O-N 3.28Å; T190-T192 PolarHBondContact O-N 3.48Å; T190-T192 VanDerWaalsContact O-N 3.1Å; T190-T192 PolarHBondContact O-OG1 2.93Å; T190-T192 WeakPolarHBondContact OG1-CB 2.95Å; T190-T192 PolarHBondContact OG1-OG1 3.33Å
193L94.1Very high88.7Confident5 Ų567.3 Ų67.33%0.02634%0.343CS..EExtended strand (participates in β ladder)trans-91.1123.4170-178.273.1000109.4K140 I141 L143 I151 I153 L162 A184 Y186 I195K140-L193 CarbonylContact C-O 3.59Å; K140-L193 WeakPolarHBondContact CA-O 3.5Å; I141-L193 PolarHBondContact N-O 2.79Å; I141-L193 PolarHBondContact O-N 3.11Å; L143-L193 HydrophobicContact CD1-CB 3.94Å; L143-L193 HydrophobicContact CD1-CD2 4.19Å; I151-L193 HydrophobicContact CG2-CD2 4.1Å; I153-L193 HydrophobicContact CD1-CD1 4.25Å; I153-L193 HydrophobicContact CD1-CD2 3.69Å; I153-L193 HydrophobicContact CD1-CG 4.49Å; I153-L193 HydrophobicContact CG1-CD2 4.29Å; L162-L193 HydrophobicContact CD1-CD2 3.26Å; A184-L193 HydrophobicContact CB-CD1 4.43Å; Y186-L193 HydrophobicContact CD2-CB 4.32Å; Y186-L193 HydrophobicContact CD2-CD1 4.41Å; L193-I195 HydrophobicContact CD2-CD1 3.89Å; L193-I195 HydrophobicContact CD2-CG1 4.04Å; L193-I195 HydrophobicContact CG-CD1 4.41Å; L193-I195 HydrophobicContact CG-CG1 4.03Å
194E94.8Very high86.9Confident46 Ų4661.4 Ų61.422%0.21532%0.319CS..EExtended strand (participates in β ladder)trans-106.6120.8174.3-171.9172.113800109.7V138 A139 K140 A184 F185V138-E194 HydrophobicContact CG1-CG 3.43Å; V138-E194 VanDerWaalsContact CG1-CG 3.43Å; A139-E194 WeakPolarHBondContact O-CA 3.43Å; K140-E194 HydrophobicContact CG-CG 4.34Å; A184-E194 CarbonylContact C-O 3.52Å; A184-E194 WeakPolarHBondContact CA-O 3.41Å; F185-E194 PolarHBondContact N-O 3.28Å; F185-E194 PolarHBondContact O-N 3.38Å
195I94.9Very high85.1Confident0 Ų064.7 Ų64.70%033%0.327CS..EExtended strand (participates in β ladder)trans-114.7110.5178.7-52172.1000107.6V138 A139 I141 I153 I155 L160 K183 A184 L193 M197V138-I195 CarbonylContact C-O 3.58Å; V138-I195 VanDerWaalsContact CA-O 3.28Å; V138-I195 WeakPolarHBondContact CA-O 3.3Å; A139-I195 HydrophobicContact CB-CB 4.37Å; A139-I195 PolarHBondContact N-O 2.89Å; A139-I195 PolarHBondContact O-N 3.08Å; I141-I195 HydrophobicContact CD1-CD1 3.88Å; I153-I195 HydrophobicContact CD1-CD1 4.31Å; I153-I195 HydrophobicContact CG2-CD1 4.01Å; I155-I195 HydrophobicContact CD1-CG2 3.71Å; L160-I195 HydrophobicContact CD1-CD1 3.9Å; L160-I195 HydrophobicContact CD2-CD1 4.14Å; K183-I195 CarbonylContact O-C 3.58Å; K183-I195 WeakPolarHBondContact O-CA 3.49Å; A184-I195 HydrophobicContact CB-CG1 4.27Å; L193-I195 HydrophobicContact CD2-CD1 3.89Å; L193-I195 HydrophobicContact CD2-CG1 4.04Å; L193-I195 HydrophobicContact CG-CD1 4.41Å; L193-I195 HydrophobicContact CG-CG1 4.03Å; I195-M197 HydrophobicContact CB-CE 4.3Å; I195-M197 HydrophobicContact CG2-CE 3.65Å
196T94.8Very high83.2Confident17 Ų1761.6 Ų61.610%0.10433%0.327CS..EExtended strand (participates in β ladder)trans-96.3129.2174-56.50000109.3E136 L137 V138 A182 K183E136-T196 HydrophobicContact CB-CG2 4.34Å; L137-T196 CarbonylContact O-C 3.56Å; L137-T196 WeakPolarHBondContact O-CA 3.33Å; V138-T196 HydrophobicContact CG2-CG2 4.26Å; A182-T196 CarbonylContact C-O 3.55Å; A182-T196 WeakPolarHBondContact CA-O 3.43Å; K183-T196 PolarHBondContact N-O 2.81Å; K183-T196 PolarHBondContact O-N 3.26Å
197M93.9Very high81.2Confident0 Ų064 Ų640%034%0.343CS..EExtended strand (participates in β ladder)trans-137.1140.2178.658.8-167.378.900109.9E136 L137 A139 L173 V177 A182 I195E136-M197 CarbonylContact C-O 3.36Å; E136-M197 WeakPolarHBondContact CA-O 3.34Å; L137-M197 HydrophobicContact CB-CG 3.73Å; L137-M197 HydrophobicContact CB-SD 4.45Å; L137-M197 HydrophobicContact CD2-CG 4.26Å; L137-M197 HydrophobicContact CD2-SD 3.88Å; L137-M197 HydrophobicContact CG-CG 4.42Å; L137-M197 PolarHBondContact N-O 2.8Å; L137-M197 WeakPolarHBondContact O-CG 3.48Å; L137-M197 PolarHBondContact O-N 2.81Å; A139-M197 HydrophobicContact CB-CE 4.48Å; L173-M197 HydrophobicContact CD1-SD 3.56Å; L173-M197 VanDerWaalsContact CD1-SD 3.56Å; L173-M197 HydrophobicContact CD2-CE 4.44Å; L173-M197 HydrophobicContact CD2-SD 4.12Å; L173-M197 HydrophobicContact CG-SD 4.5Å; V177-M197 HydrophobicContact CB-CB 4.23Å; V177-M197 HydrophobicContact CB-CG 4.07Å; V177-M197 HydrophobicContact CB-SD 4.01Å; V177-M197 HydrophobicContact CG1-CB 4.44Å; V177-M197 HydrophobicContact CG1-CG 3.76Å; V177-M197 HydrophobicContact CG1-SD 3.64Å; V177-M197 HydrophobicContact CG2-CG 4.45Å; V177-M197 HydrophobicContact CG2-SD 3.83Å; A182-M197 HydrophobicContact CB-CB 4.32Å; I195-M197 HydrophobicContact CB-CE 4.3Å; I195-M197 HydrophobicContact CG2-CE 3.65Å
198T92.5Very high79.3Confident49 Ų4968.7 Ų68.730%0.30136%0.362SS..EExtended strand (participates in β ladder)trans-81.9133.4177.2-54.70000109.6V177 E178 S181V177-T198 WeakPolarHBondContact CA-O 3.37Å; E178-T198 PolarHBondContact N-O 3Å; S181-T198 WeakPolarHBondContact CB-OG1 3.42Å; S181-T198 VanDerWaalsContact OG-CB 3.22Å; S181-T198 WeakPolarHBondContact OG-CB 3.42Å; S181-T198 PolarHBondContact OG-N 2.85Å; S181-T198 PolarHBondContact OG-OG1 3.1Å
199M90.8Very high77.1Confident7 Ų775.2 Ų75.23%0.03438%0.382CS..EExtended strand (participates in β ladder)trans-77.5139.7176.5-72.6177.2-91.500110.8F111 C134 S135 E136 L137 E175 L176 V177 R201F111-M199 HydrophobicContact CD1-CE 3.67Å; F111-M199 HydrophobicContact CD1-SD 3.9Å; F111-M199 HydrophobicContact CE1-CE 4.28Å; F111-M199 HydrophobicContact CE1-SD 3.88Å; C134-M199 HydrophobicContact CB-CE 4.07Å; C134-M199 WeakPolarHBondContact O-CE 3.44Å; S135-M199 PolarHBondContact O-N 3.08Å; E136-M199 WeakPolarHBondContact O-CE 3.1Å; L137-M199 HydrophobicContact CB-CE 4.2Å; L137-M199 HydrophobicContact CB-CG 4.09Å; L137-M199 HydrophobicContact CB-SD 4.34Å; L137-M199 HydrophobicContact CD1-SD 4.5Å; E175-M199 HydrophobicContact CB-CG 4.09Å; E175-M199 HydrophobicContact CB-SD 3.83Å; E175-M199 HydrophobicContact CG-SD 3.98Å; L176-M199 CarbonylContact O-C 3.51Å; L176-M199 WeakPolarHBondContact O-CA 3.47Å; V177-M199 HydrophobicContact CG1-CG 4.38Å; M199-R201 PolarHBondContact SD-NH2 3.06Å
200K87Confident76.4Confident113 Ų11370.9 Ų70.949%0.49136%0.364SS..  trans-99.7104.5178.5-175.6-178.9177.1-175.40108.8E157 L176E157-K200 IonicContact OE1-NZ 2.75Å; E157-K200 PolarHBondContact OE1-NZ 3.28Å; L176-K200 HydrophobicContact CB-CB 4.36Å; L176-K200 PolarHBondContact O-N 3.07Å
201R78.6Confident75.7Confident48 Ų4870.2 Ų70.218%0.18136%0.355CS..  trans-113.6128.6175.9-60.3-168.2-173.194.3-2110.9T131 C134 M199 L203 D204T131-R201 PolarHBondContact O-NH2 2.86Å; C134-R201 PolarHBondContact O-NH1 2.97Å; C134-R201 PolarHBondContact O-NH2 2.93Å; M199-R201 PolarHBondContact SD-NH2 3.06Å; R201-L203 PolarHBondContact O-N 3.17Å; R201-D204 HydrophobicContact CB-CB 4.19Å; R201-D204 IonicContact NH1-OD2 2.72Å; R201-D204 PolarHBondContact O-N 3.21Å
202D65.7Low74.9Confident157 Ų15770.1 Ų70.184%0.8436%0.356SS*.THydrogen-bonded Turntrans-62.8-28.3178.3-158.3-101.6000112.2
203L58.6Low73.9Confident127 Ų12773.2 Ų73.267%0.66537%0.371SS*.THydrogen-bonded Turntrans-102.65.9-173.7-60.3178000114.8R201 I205 A206R201-L203 PolarHBondContact O-N 3.17Å; L203-I205 PolarHBondContact O-N 3.04Å; L203-I205 VanDerWaalsContact O-N 3.07Å; L203-A206 WeakPolarHBondContact O-CB 3.48Å; L203-A206 PolarHBondContact O-N 3.25Å
204D56Low72.6Confident34 Ų3477.4 Ų77.418%0.18239%0.393CS..Hα-helixtrans-61.5-26.5-173.8-113.6-12.7000112.2R201 A206 N207 F208R201-D204 HydrophobicContact CB-CB 4.19Å; R201-D204 IonicContact NH1-OD2 2.72Å; R201-D204 PolarHBondContact O-N 3.21Å; D204-A206 PolarHBondContact O-N 3.29Å; D204-N207 PolarHBondContact O-N 3.42Å; D204-N207 VanDerWaalsContact O-N 3.09Å; D204-F208 HydrophobicContact CB-CE2 4.14Å; D204-F208 WeakPolarHBondContact O-CD2 3.47Å; D204-F208 WeakPolarHBondContact O-CE2 3.38Å
205I53.6Low71.1Confident124 Ų12479.5 Ų79.564%0.63641%0.405SS*.Hα-helixtrans-56.5-35.1174.8-46173.1000111.6L203 F209L203-I205 PolarHBondContact O-N 3.04Å; L203-I205 VanDerWaalsContact O-N 3.07Å; I205-F209 HydrophobicContact CG2-CE2 3.82Å; I205-F209 WeakPolarHBondContact O-CD2 3.3Å; I205-F209 WeakPolarHBondContact O-CE2 3.32Å
206A53.4Low69.4Low72 Ų7285.2 Ų85.260%0.59543%0.433SS*.Hα-helixtrans-78-19.2-178.300000113.6L203 D204L203-A206 WeakPolarHBondContact O-CB 3.48Å; L203-A206 PolarHBondContact O-N 3.25Å; D204-A206 PolarHBondContact O-N 3.29Å
207N51.8Low67.5Low91 Ų9190.5 Ų90.549%0.48746%0.459SS..Hα-helixtrans-84.9-10.6178.7-67.3-33000113.1D204D204-N207 PolarHBondContact O-N 3.42Å; D204-N207 VanDerWaalsContact O-N 3.09Å
208F52Low65.3Low134 Ų13498 Ų9859%0.58850%0.497SS*.THydrogen-bonded Turntrans-97.40.5-179.7-67.8-71.7000114.5D204D204-F208 HydrophobicContact CB-CE2 4.14Å; D204-F208 WeakPolarHBondContact O-CD2 3.47Å; D204-F208 WeakPolarHBondContact O-CE2 3.38Å
209F43.4Very low62.8Low220 Ų220102.5 Ų102.597%0.96552%0.515SS*.  trans-113.80-179.9-67.9-71.8000114.1I205I205-F209 HydrophobicContact CG2-CE2 3.82Å; I205-F209 WeakPolarHBondContact O-CD2 3.3Å; I205-F209 WeakPolarHBondContact O-CE2 3.32Å

Retrieved 209 of 209 residues in 241.6 ms (Link to these results)