A0A077Z910_TRITR Loading...

Neuroendocrine protein 7B2

AlphaFold DB , UniProt , Accession A0A077Z910, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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
1M43.6Very low47.1Very low241 Ų241163.4 Ų163.4100%1.18784%0.836SS**  0104.60-89.2165.916900105.9
2F41.4Very low47.3Very low185 Ų185163.2 Ų163.281%0.81184%0.838SS**  trans-91.4135.2175-66.7-95.7000106.2
3D51.1Low47.2Very low153 Ų153159.8 Ų159.882%0.81883%0.829SS**  trans-143.994.4156-80.3-48.1000107.7
4D46.9Very low47.2Very low122 Ų122160.1 Ų160.165%0.65283%0.83SS**  trans-69.7133.2162.9-68.7-45.6000109
5Y55.8Low47.1Very low210 Ų210157.1 Ų157.182%0.82482%0.816SS**  trans-134.292.5154.5-92.9-84.3000109.5
6Y46.1Very low47.5Very low205 Ų205155.3 Ų155.380%0.80481%0.808SS**  trans-74.1123.2157.4-78.1-90.5000108.8
7L53.7Low48Very low165 Ų165151 Ų15186%0.86479%0.794SS**  trans-127.9109.9156.9-89167.4000109.1
8L45.1Very low48.4Very low176 Ų176149.6 Ų149.692%0.92179%0.786SS**  trans-62.1129.6169.8-70.3157.2000109.7
9G42.5Very low48.7Very low73 Ų73146.9 Ų146.975%0.75377%0.772SS**  trans-144.199.4175.400000111.8
10N47.2Very low49.1Very low153 Ų153142.3 Ų142.382%0.81876%0.756SS**  trans33.2118.3160.5-82.7-29.2000120.9N12N10-N12 PolarHBondContact O-N 3.42Å
11P44.9Very low49.3Very low114 Ų114140.3 Ų140.374%0.7475%0.745SS**SBendtrans-86.790.7170.534.6-26.6000109.2
12N48.9Very low49.8Very low161 Ų161135 Ų13586%0.86172%0.716SS**  trans-164.614.5165.1-90.6-33.7000115.1N10N10-N12 PolarHBondContact O-N 3.42Å
13V46.4Very low50.5Low120 Ų120131.1 Ų131.173%0.72770%0.703SS**  trans-119.997.3171.9-171.70000107D15V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.09Å; V13-D15 VanDerWaalsContact O-N 3.11Å
14I47.7Very low50.7Low163 Ų163130.4 Ų130.484%0.83669%0.692SS**  trans-77.194.4168.5-58.7173.4000104.8D16I14-D16 PolarHBondContact O-N 2.79Å
15D45.4Very low51.1Low116 Ų116129.5 Ų129.562%0.6269%0.687SS**  trans-64113.3169.6-84.1-28.8000108.6V13 S17 L18V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.09Å; V13-D15 VanDerWaalsContact O-N 3.11Å; D15-S17 PolarHBondContact O-N 3.15Å; D15-L18 PolarHBondContact O-N 3.06Å
16D53Low50.9Low128 Ų128124.8 Ų124.868%0.68468%0.676SS**THydrogen-bonded Turntrans-54.8-8.2172.4-104.6-22.9000113.4I14 L18 L19I14-D16 PolarHBondContact O-N 2.79Å; D16-L18 VanDerWaalsContact C-N 3.3Å; D16-L18 PolarHBondContact O-N 3.22Å; D16-L19 PolarHBondContact O-N 3.32Å
17S57.1Low51.2Low82 Ų82119.1 Ų119.157%0.57366%0.662SS**Hα-helixtrans-65.1-29175.8-164.40000113.2D15 L19 A20 D21D15-S17 PolarHBondContact O-N 3.15Å; S17-L19 VanDerWaalsContact C-N 3.28Å; S17-L19 PolarHBondContact O-N 2.92Å; S17-A20 PolarHBondContact O-N 2.82Å; S17-D21 PolarHBondContact O-N 2.86Å
18L54.7Low51.2Low125 Ų125115.1 Ų115.165%0.65464%0.641SS**Hα-helixtrans-77.8-16.6-179.1-125.4153.6000112.6D15 D16 K22D15-L18 PolarHBondContact O-N 3.06Å; D16-L18 VanDerWaalsContact C-N 3.3Å; D16-L18 PolarHBondContact O-N 3.22Å; L18-K22 PolarHBondContact O-N 2.95Å
19L54.2Low51.6Low99 Ų99113.6 Ų113.652%0.51863%0.63SS.*Hα-helixtrans-81.9-32.3174.3-167.562000111.4D16 S17 D21 K22 I23D16-L19 PolarHBondContact O-N 3.32Å; S17-L19 VanDerWaalsContact C-N 3.28Å; S17-L19 PolarHBondContact O-N 2.92Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 3.01Å; L19-K22 PolarHBondContact O-N 2.85Å; L19-I23 HydrophobicContact CG-CD1 4.13Å; L19-I23 WeakPolarHBondContact O-CD1 3.38Å; L19-I23 WeakPolarHBondContact O-CG1 3.41Å; L19-I23 PolarHBondContact O-N 2.64Å
20A56Low52Low54 Ų54120.3 Ų120.345%0.44663%0.632SS.*Hα-helixtrans-65.1-34.417300000112.6S17 K24S17-A20 PolarHBondContact O-N 2.82Å; A20-K24 PolarHBondContact O-N 2.75Å
21D54.2Low52.3Low101 Ų101118.3 Ų118.354%0.5462%0.621SS.*Hα-helixtrans-77.9-30.1177.9-73-17.6000112.9S17 L19 K24 L25S17-D21 PolarHBondContact O-N 2.86Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 3.01Å; D21-K24 PolarHBondContact O-N 3.27Å; D21-L25 PolarHBondContact O-N 3.24Å; D21-L25 VanDerWaalsContact O-N 3.09Å
22K54.3Low52.6Low129 Ų129122.6 Ų122.656%0.56162%0.623SS**Hα-helixtrans-70-37.1170.5-78-172.8176.5-170.70112.6L18 L19 K24 L25 D26L18-K22 PolarHBondContact O-N 2.95Å; L19-K22 PolarHBondContact O-N 2.85Å; K22-K24 VanDerWaalsContact C-N 3.28Å; K22-K24 PolarHBondContact O-N 3.01Å; K22-L25 PolarHBondContact O-N 3.08Å; K22-D26 PolarHBondContact O-N 3.27Å; K22-D26 VanDerWaalsContact O-N 3.15Å
23I55.5Low52.7Low105 Ų105122.4 Ų122.454%0.53862%0.617SS.*Hα-helixtrans-68.6-29.4176.6-65.6163.8000111.4L19 T27L19-I23 HydrophobicContact CG-CD1 4.13Å; L19-I23 WeakPolarHBondContact O-CD1 3.38Å; L19-I23 WeakPolarHBondContact O-CG1 3.41Å; L19-I23 PolarHBondContact O-N 2.64Å; I23-T27 PolarHBondContact O-OG1 2.89Å
24K55.8Low52.9Low138 Ų138124.6 Ų124.660%0.662%0.619SS**Hα-helixtrans-73.8-34.3170.7-85.9179.1177175.60113.2A20 D21 K22 D26 T27 I28A20-K24 PolarHBondContact O-N 2.75Å; D21-K24 PolarHBondContact O-N 3.27Å; K22-K24 VanDerWaalsContact C-N 3.28Å; K22-K24 PolarHBondContact O-N 3.01Å; K24-D26 VanDerWaalsContact C-N 3.34Å; K24-T27 PolarHBondContact O-OG1 2.84Å; K24-T27 VanDerWaalsContact O-OG1 3.09Å; K24-I28 WeakPolarHBondContact O-CD1 3.06Å; K24-I28 WeakPolarHBondContact O-CG1 3.22Å; K24-I28 PolarHBondContact O-N 2.81Å; K24-I28 VanDerWaalsContact O-N 3.17Å
25L53.9Low53.2Low103 Ų103123.6 Ų123.654%0.53961%0.614SS.*Hα-helixtrans-69.9-34179.1-166.561.5000112.1D21 K22 I28 Q29D21-L25 PolarHBondContact O-N 3.24Å; D21-L25 VanDerWaalsContact O-N 3.09Å; K22-L25 PolarHBondContact O-N 3.08Å; L25-I28 PolarHBondContact O-N 2.89Å; L25-Q29 PolarHBondContact O-N 2.95Å
26D52.5Low53.5Low110 Ų110123.2 Ų123.259%0.58862%0.618SS**Hα-helixtrans-74.1-27.7179.2-67.7-13.1000112.9K22 K24K22-D26 PolarHBondContact O-N 3.27Å; K22-D26 VanDerWaalsContact O-N 3.15Å; K24-D26 VanDerWaalsContact C-N 3.34Å
27T52Low53.5Low86 Ų86125 Ų12553%0.52862%0.622SS.*Hα-helixtrans-78.6-31.1171.140.10000112.8I23 K24 Q29 R30I23-T27 PolarHBondContact O-OG1 2.89Å; K24-T27 PolarHBondContact O-OG1 2.84Å; K24-T27 VanDerWaalsContact O-OG1 3.09Å; T27-Q29 PolarHBondContact O-N 3.2Å; T27-R30 PolarHBondContact O-N 3.08Å
28I54.4Low53Low82 Ų82125.3 Ų125.342%0.42162%0.624SS.*Hα-helixtrans-65.1-23.4173.1-67.2162.3000111.7K24 L25 R30 D31 R32K24-I28 WeakPolarHBondContact O-CD1 3.06Å; K24-I28 WeakPolarHBondContact O-CG1 3.22Å; K24-I28 PolarHBondContact O-N 2.81Å; K24-I28 VanDerWaalsContact O-N 3.17Å; L25-I28 PolarHBondContact O-N 2.89Å; I28-R30 VanDerWaalsContact C-N 3.25Å; I28-R30 PolarHBondContact O-N 2.96Å; I28-D31 PolarHBondContact O-N 2.94Å; I28-R32 PolarHBondContact O-N 3.25Å
29Q53.1Low53Low144 Ų144123.8 Ų123.867%0.67362%0.617SS**Hα-helixtrans-70.8-18.2178.8-121.3-175.2-80.400114L25 T27L25-Q29 PolarHBondContact O-N 2.95Å; T27-Q29 PolarHBondContact O-N 3.2Å
30R51Low52.8Low214 Ų214125.8 Ų125.881%0.80863%0.628SS**Hα-helixtrans-86.2-25.3171.9-81.1-88.4-171.9160.4-0.6112.7T27 I28T27-R30 PolarHBondContact O-N 3.08Å; I28-R30 VanDerWaalsContact C-N 3.25Å; I28-R30 PolarHBondContact O-N 2.96Å
31D52.6Low52.8Low111 Ų111134.1 Ų134.159%0.59465%0.648SS**Hα-helixtrans-87.8-10.3-178.9-61.6-19.8000113I28 E33 H34I28-D31 PolarHBondContact O-N 2.94Å; D31-E33 VanDerWaalsContact C-N 3.25Å; D31-E33 PolarHBondContact O-N 2.83Å; D31-H34 PolarHBondContact O-CD2 3.14Å
32R51.9Low52.9Low204 Ų204131 Ų13177%0.7764%0.639SS**THydrogen-bonded Turntrans-77.5-5.7175.2-106.8-175.4166.1133.9-1.5114.6I28 H34I28-R32 PolarHBondContact O-N 3.25Å; R32-H34 VanDerWaalsContact C-N 3.27Å
33E51Low53.1Low157 Ų157130.6 Ų130.673%0.73464%0.639SS**THydrogen-bonded Turntrans-91.624.8171-68-174.4176.700112.7D31 L35D31-E33 VanDerWaalsContact C-N 3.25Å; D31-E33 PolarHBondContact O-N 2.83Å; E33-L35 PolarHBondContact O-N 2.84Å
34H50.5Low53.3Low165 Ų165129.9 Ų129.976%0.76464%0.635SS**  trans-64.479.4154.2-88.4-66.8000108.3D31 R32 P36D31-H34 PolarHBondContact O-CD2 3.14Å; R32-H34 VanDerWaalsContact C-N 3.27Å; H34-P36 VanDerWaalsContact O-CD 3.29Å; H34-P36 WeakPolarHBondContact O-CD 3.37Å
35L54Low53.4Low142 Ų142129.2 Ų129.274%0.74363%0.633SS**  trans-57.3118.9156.5-91.185.5000104.8E33 Q37E33-L35 PolarHBondContact O-N 2.84Å; L35-Q37 PolarHBondContact O-N 2.84Å
36P52.5Low53.6Low109 Ų109130.5 Ų130.571%0.70864%0.638SS**  trans-53.9124.6164.124.5-30.3000104.9H34 S38H34-P36 VanDerWaalsContact O-CD 3.29Å; H34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-S38 PolarHBondContact O-N 2.84Å
37Q51.6Low53.8Low165 Ų165133.9 Ų133.977%0.77165%0.65SS**  trans-56.896.7163.8-72.1-175.8-50.200104.7L35 N39L35-Q37 PolarHBondContact O-N 2.84Å; Q37-N39 PolarHBondContact O-N 2.82Å
38S47.4Very low53.9Low88 Ų88133.7 Ų133.762%0.61567%0.665SS**  trans-71.1107.5177.456.60000104.6P36 L40P36-S38 PolarHBondContact O-N 2.84Å; S38-L40 PolarHBondContact O-N 3.16Å
39N54.9Low53.8Low94 Ų94132 Ų13250%0.50367%0.668SS.*  trans-64.824.6165.7-67.9-8.4000111.9Q37 W41 M89Q37-N39 PolarHBondContact O-N 2.82Å; N39-W41 VanDerWaalsContact C-N 3.31Å; N39-W41 PolarHBondContact O-N 3.3Å; N39-W41 VanDerWaalsContact O-N 3.16Å; N39-M89 WeakPolarHBondContact ND2-CE 3.38Å
40L50.1Low53.8Low141 Ų141130.1 Ų130.174%0.73868%0.677SS**  trans-91.275.1-179.4-153.574.5000107.5S38 G42S38-L40 PolarHBondContact O-N 3.16Å; L40-G42 PolarHBondContact O-N 3.36Å
41W55.2Low53.8Low229 Ų229122.2 Ų122.287%0.86766%0.662SS**  trans-49111.1161-80.1-67.6000108.3N39N39-W41 VanDerWaalsContact C-N 3.31Å; N39-W41 PolarHBondContact O-N 3.3Å; N39-W41 VanDerWaalsContact O-N 3.16Å
42G56.2Low53.8Low35 Ų35126.3 Ų126.336%0.36168%0.677SS.*SBendtrans-175.1157-172.400000111L40 I44L40-G42 PolarHBondContact O-N 3.36Å; G42-I44 PolarHBondContact O-N 2.94Å
43H58.2Low54.2Low121 Ų121119.7 Ų119.756%0.5667%0.673SS**  trans-70.8118.9172.441.7-93.6000108.7F45 V69H43-F45 AromaticContact CD2-CD2 3.41Å; H43-F45 VanDerWaalsContact CD2-CD2 3.41Å; H43-F45 WeakPolarHBondContact CD2-CD2 3.45Å; H43-F45 AromaticContact CD2-CE2 2.9Å; H43-F45 WeakPolarHBondContact CD2-CE2 3.42Å; H43-F45 AromaticContact CD2-CZ 3.33Å; H43-F45 WeakPolarHBondContact CD2-CZ 3.39Å; H43-F45 AromaticContact CG-CE2 3.95Å; H43-F45 AromaticContact CG-CZ 3.96Å; H43-F45 AromaticContact NE2-CE2 3.23Å; H43-F45 WeakPolarHBondContact NE2-CE2 3.44Å; H43-F45 AromaticContact NE2-CZ 3.79Å; H43-F45 PolarHBondContact O-N 3.41Å; H43-V69 HydrophobicContact CB-CG1 4.26Å
44I60.8Low54.8Low89 Ų89120.8 Ų120.846%0.45668%0.675SS.*BIsolated β-bridgetrans-82.4100.3169.6-59.8176000107.5G42 M46 D72G42-I44 PolarHBondContact O-N 2.94Å; I44-M46 HydrophobicContact CG2-CG 4.32Å; I44-M46 PolarHBondContact O-N 2.96Å; I44-M46 VanDerWaalsContact O-N 3.08Å; I44-D72 VanDerWaalsContact CD1-OD2 3.3Å; I44-D72 WeakPolarHBondContact CD1-OD2 3.45Å; I44-D72 WeakPolarHBondContact CG1-OD2 3.1Å
45F57.4Low55.5Low124 Ų124116 Ų11654%0.54465%0.653SS.*  trans-70.7101.9167-66.2-62.6000108.7H43 Q47 V69H43-F45 AromaticContact CD2-CD2 3.41Å; H43-F45 VanDerWaalsContact CD2-CD2 3.41Å; H43-F45 WeakPolarHBondContact CD2-CD2 3.45Å; H43-F45 AromaticContact CD2-CE2 2.9Å; H43-F45 WeakPolarHBondContact CD2-CE2 3.42Å; H43-F45 AromaticContact CD2-CZ 3.33Å; H43-F45 WeakPolarHBondContact CD2-CZ 3.39Å; H43-F45 AromaticContact CG-CE2 3.95Å; H43-F45 AromaticContact CG-CZ 3.96Å; H43-F45 AromaticContact NE2-CE2 3.23Å; H43-F45 WeakPolarHBondContact NE2-CE2 3.44Å; H43-F45 AromaticContact NE2-CZ 3.79Å; H43-F45 PolarHBondContact O-N 3.41Å; F45-Q47 VanDerWaalsContact C-N 3.32Å; F45-Q47 PolarHBondContact O-N 3.46Å; F45-V69 HydrophobicContact CD1-CG1 4.38Å; F45-V69 HydrophobicContact CD1-CG2 3.98Å; F45-V69 HydrophobicContact CE1-CG1 4.24Å; F45-V69 HydrophobicContact CE1-CG2 3.85Å
46M58.4Low56Low131 Ų131114.7 Ų114.765%0.64564%0.639SS**  trans-73.389.2169-67.7-167.972.700109.3I44 K70I44-M46 HydrophobicContact CG2-CG 4.32Å; I44-M46 PolarHBondContact O-N 2.96Å; I44-M46 VanDerWaalsContact O-N 3.08Å; M46-K70 HydrophobicContact SD-CD 3.79Å
47Q56.7Low56.8Low181 Ų181114.8 Ų114.885%0.84663%0.633SS**  trans-111.486.7173.9-160.5160.518.100108.2F45F45-Q47 VanDerWaalsContact C-N 3.32Å; F45-Q47 PolarHBondContact O-N 3.46Å
48G55.2Low57.4Low81 Ų81110.5 Ų110.584%0.83562%0.615SS**  trans178.265.8-169.200000115.7
49G51.9Low58.4Low47 Ų47113.3 Ų113.349%0.48563%0.631SS.*SBendtrans-152.2110.4159.700000107.7G51 Q55G49-G51 WeakPolarHBondContact O-CA 3.14Å; G49-G51 PolarHBondContact O-N 2.83Å; G49-Q55 PolarHBondContact O-NE2 2.87Å
50A53.3Low59.1Low105 Ų105112.6 Ų112.687%0.86863%0.633SS**SBendtrans41.836.3-17800000115.9Q55A50-Q55 PolarHBondContact O-NE2 3.04Å
51G50.9Low59.9Low48 Ų48107.4 Ų107.450%0.49561%0.614SS.*  trans-104.565.2-152.300000117.6G49G49-G51 WeakPolarHBondContact O-CA 3.14Å; G49-G51 PolarHBondContact O-N 2.83Å
52E52Low60.6Low196 Ų196103.7 Ų103.792%0.91661%0.61SS**SBendtrans-116.8110.9150.8-67.3-169.1-166.700109.1
53G59.8Low61Low65 Ų65107.2 Ų107.267%0.6762%0.619SS**SBendtrans118.7166.5175.400000115.5Q55G53-Q55 PolarHBondContact O-N 2.93Å
54K64.1Low61.4Low180 Ų180105.5 Ų105.578%0.78362%0.621SS**  trans-62.399.3174.1-68.4178.4-178.8176.60108.8Y56K54-Y56 HydrophobicContact CB-CE2 4.08Å; K54-Y56 WeakPolarHBondContact O-CD2 3.47Å; K54-Y56 WeakPolarHBondContact O-CE2 3.33Å
55Q64.9Low61.5Low64 Ų64104.9 Ų104.930%0.29962%0.618SS.*  trans-78.7141.3174.4-69.3-176.5-14.900110G49 A50 G53 N65G49-Q55 PolarHBondContact O-NE2 2.87Å; A50-Q55 PolarHBondContact O-NE2 3.04Å; G53-Q55 PolarHBondContact O-N 2.93Å; Q55-N65 HydrophobicContact CB-CB 3.85Å; Q55-N65 WeakPolarHBondContact O-CB 3.33Å; Q55-N65 PolarHBondContact O-N 2.96Å; Q55-N65 PolarHBondContact OE1-ND2 2.87Å
56Y65.6Low61.9Low115 Ų115105.7 Ų105.745%0.45162%0.621SS.*BIsolated β-bridgetrans-118.2135.2174.3-61.8-85.4000108.8K54 L58 G61 M63K54-Y56 HydrophobicContact CB-CE2 4.08Å; K54-Y56 WeakPolarHBondContact O-CD2 3.47Å; K54-Y56 WeakPolarHBondContact O-CE2 3.33Å; Y56-L58 PolarHBondContact O-N 2.91Å; Y56-G61 WeakPolarHBondContact CD1-O 3.23Å; Y56-G61 VanDerWaalsContact CE1-O 3.22Å; Y56-G61 WeakPolarHBondContact CE1-O 2.9Å; Y56-M63 CarbonylContact C-O 3.41Å; Y56-M63 WeakPolarHBondContact CA-O 3.41Å; Y56-M63 WeakPolarHBondContact CB-O 3.39Å
57L67.8Low62.2Low112 Ų112105.4 Ų105.459%0.58663%0.626SS**SBendtrans-66.7-23.5-178-94.868.7000112.8M63 N65L57-M63 HydrophobicContact CB-CB 4.41Å; L57-M63 PolarHBondContact N-O 3.34Å; L57-N65 HydrophobicContact CD1-CB 3.86Å
58L65.7Low62.4Low75 Ų75102.5 Ų102.539%0.39361%0.613SS.*SBendtrans-115.1149178.2-73.294.7000111Y56 S60 G61 M63Y56-L58 PolarHBondContact O-N 2.91Å; L58-S60 PolarHBondContact O-N 2.91Å; L58-G61 PolarHBondContact O-N 3.01Å; L58-G61 VanDerWaalsContact O-N 3.09Å; L58-M63 HydrophobicContact CD1-CB 3.79Å; L58-M63 HydrophobicContact CD1-CG 3.74Å; L58-M63 HydrophobicContact CD1-SD 3.45Å; L58-M63 WeakPolarHBondContact CD1-SD 3.32Å
59P67.2Low62.6Low146 Ų146101.5 Ų101.595%0.94859%0.59SS**THydrogen-bonded Turntrans-56.1-24.2172.5-23.232.3000113.8G61P59-G61 VanDerWaalsContact C-N 3.28Å; P59-G61 PolarHBondContact O-N 2.96Å
60S69.5Low63Low79 Ų79105.4 Ų105.455%0.55259%0.594SS**THydrogen-bonded Turntrans-78.3-2.8-179.654.30000114.6L58 L62L58-S60 PolarHBondContact O-N 2.91Å; S60-L62 PolarHBondContact O-N 2.9Å; S60-L62 VanDerWaalsContact O-N 3.15Å
61G68.3Low63.2Low32 Ų32104.8 Ų104.833%0.3358%0.58SS.*SBendtrans69.19178.500000114.9Y56 L58 P59Y56-G61 WeakPolarHBondContact CD1-O 3.23Å; Y56-G61 VanDerWaalsContact CE1-O 3.22Å; Y56-G61 WeakPolarHBondContact CE1-O 2.9Å; L58-G61 PolarHBondContact O-N 3.01Å; L58-G61 VanDerWaalsContact O-N 3.09Å; P59-G61 VanDerWaalsContact C-N 3.28Å; P59-G61 PolarHBondContact O-N 2.96Å
62L68.5Low63.4Low152 Ų152106.2 Ų106.280%0.79658%0.576SS**  trans-82.9-18.6-171.1-136.980.5000114S60S60-L62 PolarHBondContact O-N 2.9Å; S60-L62 VanDerWaalsContact O-N 3.15Å
63M64.1Low63.5Low108 Ų108100.2 Ų100.253%0.53256%0.56SS.*SBendtrans-126.7112.9-178.2-66.3-172.467.900109.8Y56 L57 L58Y56-M63 CarbonylContact C-O 3.41Å; Y56-M63 WeakPolarHBondContact CA-O 3.41Å; Y56-M63 WeakPolarHBondContact CB-O 3.39Å; L57-M63 HydrophobicContact CB-CB 4.41Å; L57-M63 PolarHBondContact N-O 3.34Å; L58-M63 HydrophobicContact CD1-CB 3.79Å; L58-M63 HydrophobicContact CD1-CG 3.74Å; L58-M63 HydrophobicContact CD1-SD 3.45Å; L58-M63 WeakPolarHBondContact CD1-SD 3.32Å
64S66.9Low63.3Low86 Ų86102.5 Ų102.560%0.60156%0.561SS**BIsolated β-bridgetrans-66.3146.8174.152.30000111.2K66S64-K66 PolarHBondContact O-N 2.91Å
65N64.2Low63Low75 Ų75100.8 Ų100.840%0.40156%0.559SS.*  trans-60.6119.9170.2-161.3-21.6000109.8Q55 L57 V67Q55-N65 HydrophobicContact CB-CB 3.85Å; Q55-N65 WeakPolarHBondContact O-CB 3.33Å; Q55-N65 PolarHBondContact O-N 2.96Å; Q55-N65 PolarHBondContact OE1-ND2 2.87Å; L57-N65 HydrophobicContact CD1-CB 3.86Å; N65-V67 PolarHBondContact O-N 3.29Å
66K65.4Low62.5Low142 Ų142101.2 Ų101.262%0.61757%0.568SS**  trans-73.3111.7174.8-175.6-177.3168.5-148.80106S64 E68S64-K66 PolarHBondContact O-N 2.91Å; K66-E68 VanDerWaalsContact C-N 3.26Å; K66-E68 HydrophobicContact CB-CG 4.4Å; K66-E68 HydrophobicContact CD-CG 4Å; K66-E68 HydrophobicContact CG-CG 3.96Å; K66-E68 IonicContact NZ-OE1 2.77Å; K66-E68 PolarHBondContact NZ-OE1 2.86Å; K66-E68 PolarHBondContact O-N 3.36Å
67V63.8Low61.8Low124 Ų12498.7 Ų98.775%0.75257%0.571SS**  trans-65.395170.1179.60000106.6N65 V69N65-V67 PolarHBondContact O-N 3.29Å; V67-V69 HydrophobicContact CG1-CG2 4.34Å; V67-V69 PolarHBondContact O-N 2.78Å
68E61.8Low61.3Low120 Ų120102.2 Ų102.256%0.56158%0.582SS**  trans-82.6100.7173.4-65.5-164.1154.600107.6K66 K70K66-E68 VanDerWaalsContact C-N 3.26Å; K66-E68 HydrophobicContact CB-CG 4.4Å; K66-E68 HydrophobicContact CD-CG 4Å; K66-E68 HydrophobicContact CG-CG 3.96Å; K66-E68 IonicContact NZ-OE1 2.77Å; K66-E68 PolarHBondContact NZ-OE1 2.86Å; K66-E68 PolarHBondContact O-N 3.36Å; E68-K70 PolarHBondContact O-N 3.48Å; E68-K70 VanDerWaalsContact O-N 3.14Å
69V59.2Low61.4Low60 Ų60100.5 Ų100.536%0.36458%0.575SS.*  trans-71.6103164.3-178.30000105.7H43 F45 V67 T71H43-V69 HydrophobicContact CB-CG1 4.26Å; F45-V69 HydrophobicContact CD1-CG1 4.38Å; F45-V69 HydrophobicContact CD1-CG2 3.98Å; F45-V69 HydrophobicContact CE1-CG1 4.24Å; F45-V69 HydrophobicContact CE1-CG2 3.85Å; V67-V69 HydrophobicContact CG1-CG2 4.34Å; V67-V69 PolarHBondContact O-N 2.78Å; V69-T71 HydrophobicContact CG1-CG2 4.29Å; V69-T71 PolarHBondContact O-N 2.98Å
70K61Low61.5Low129 Ų12998.3 Ų98.356%0.56156%0.556SS**BIsolated β-bridgetrans-66.296.7162.2-76-175.5179.9177.20105.6M46 E68 D72M46-K70 HydrophobicContact SD-CD 3.79Å; E68-K70 PolarHBondContact O-N 3.48Å; E68-K70 VanDerWaalsContact O-N 3.14Å; K70-D72 PolarHBondContact O-N 3.29Å
71T56Low61.3Low93 Ų9397.2 Ų97.257%0.57155%0.547SS*.  trans-64.1127.2165.552.20000105.8V69 A73V69-T71 HydrophobicContact CG1-CG2 4.29Å; V69-T71 PolarHBondContact O-N 2.98Å; T71-A73 PolarHBondContact O-N 3Å; T71-A73 WeakPolarHBondContact OG1-CB 3.36Å
72D56.5Low61.2Low77 Ų7798.4 Ų98.441%0.41255%0.549SS..  trans-68.932.4161.1-68.4-15.9000110.5I44 K70 V74I44-D72 VanDerWaalsContact CD1-OD2 3.3Å; I44-D72 WeakPolarHBondContact CD1-OD2 3.45Å; I44-D72 WeakPolarHBondContact CG1-OD2 3.1Å; K70-D72 PolarHBondContact O-N 3.29Å; D72-V74 VanDerWaalsContact C-N 3.31Å; D72-V74 PolarHBondContact O-N 3.02Å
73A54.2Low61.5Low71 Ų7197 Ų9759%0.58754%0.542SS*.  trans-66.997.2172.700000106.4T71 L75T71-A73 PolarHBondContact O-N 3Å; T71-A73 WeakPolarHBondContact OG1-CB 3.36Å; A73-L75 PolarHBondContact O-N 3.16Å
74V55.6Low62.2Low112 Ų11293.4 Ų93.468%0.67953%0.527SS*.  trans32.680.3168.8-167.10000111.2D72 P76 A77D72-V74 VanDerWaalsContact C-N 3.31Å; D72-V74 PolarHBondContact O-N 3.02Å; V74-P76 VanDerWaalsContact O-N 3.09Å; V74-A77 HydrophobicContact CG1-CB 4.37Å
75L55.9Low62.7Low144 Ų14490.5 Ų90.575%0.75451%0.506SS*.  trans-43.2126.1148.8-79168.3000105.2A73 A77A73-L75 PolarHBondContact O-N 3.16Å; L75-A77 WeakPolarHBondContact O-CA 3.47Å; L75-A77 PolarHBondContact O-N 2.97Å
76P55.1Low63.3Low74 Ų7489.7 Ų89.748%0.48151%0.505SS..SBendtrans-44.7119-168.8-28.332000108.6V74 F78 L116V74-P76 VanDerWaalsContact O-N 3.09Å; P76-F78 PolarHBondContact O-N 2.89Å; P76-L116 HydrophobicContact CB-CB 4.2Å; P76-L116 HydrophobicContact CB-CD2 3.25Å; P76-L116 HydrophobicContact CB-CG 4.27Å; P76-L116 HydrophobicContact CG-CD2 3.4Å
77A50.9Low63.9Low62 Ų6289.7 Ų89.751%0.51252%0.519SS..  trans-46.1136.5-16100000110.1V74 L75 C79V74-A77 HydrophobicContact CG1-CB 4.37Å; L75-A77 WeakPolarHBondContact O-CA 3.47Å; L75-A77 PolarHBondContact O-N 2.97Å; A77-C79 PolarHBondContact O-N 2.81Å
78F56.9Low64.6Low186 Ų18687.8 Ų87.882%0.81653%0.525SS*.SBendtrans-44141.3165.1-72.3-89.3000108.5P76P76-F78 PolarHBondContact O-N 2.89Å
79C69.2Low65.2Low38 Ų3885 Ų8526%0.25751%0.513SS..PPolyproline II helixtrans-49.8145.3-165.9-36.70000113.9A77 P81 Q113 C115A77-C79 PolarHBondContact O-N 2.81Å; C79-P81 CarbonylContact O-C 3.53Å; C79-Q113 HydrophobicContact CB-CB 3.61Å; C79-Q113 HydrophobicContact CB-CG 4.08Å; C79-Q113 VanDerWaalsContact CB-OE1 3.28Å; C79-Q113 PolarHBondContact O-OE1 3Å; C79-C115 HydrophobicContact CB-CB 3.83Å; C79-C115 WeakPolarHBondContact CB-SG 3.32Å; C79-C115 WeakPolarHBondContact SG-CA 3.37Å; C79-C115 WeakPolarHBondContact SG-CB 3.46Å; C79-C115 CovalentContact SG-SG 2.02Å; C79-C115 PolarHBondContact SG-SG 3.24Å
80D67.6Low66.2Low101 Ų10184.9 Ų84.954%0.5451%0.512SS..BIsolated β-bridgetrans-89.4127.4173.4-67.9-42.2000110.5Q113 N114D80-Q113 CarbonylContact O-C 3.55Å; D80-Q113 WeakPolarHBondContact O-CA 3.24Å; D80-Q113 PolarHBondContact O-OE1 2.76Å; D80-Q113 VanDerWaalsContact O-OE1 3.1Å; D80-N114 PolarHBondContact O-N 3.22Å
81P65.8Low67.1Low56 Ų5681.5 Ų81.536%0.36451%0.508SS..SBendcis-84.6158.22.130.7-35.2000117.6C79 Y109 Q113C79-P81 CarbonylContact O-C 3.53Å; P81-Y109 HydrophobicContact CB-CE2 4.38Å; P81-Y109 WeakPolarHBondContact CB-OH 3.32Å; P81-Y109 HydrophobicContact CG-CD2 4.48Å; P81-Y109 HydrophobicContact CG-CE2 3.63Å; P81-Y109 WeakPolarHBondContact CG-OH 3.46Å; P81-Y109 PolarHBondContact O-OH 3.34Å; P81-Q113 PolarHBondContact O-NE2 3.5Å; P81-Q113 PolarHBondContact O-OE1 3.02Å
82P66.9Low68.3Low57 Ų5785.8 Ų85.837%0.3752%0.522SS..PPolyproline II helixtrans-69143.2-17029-37.7000115G94 Y109P82-G94 WeakPolarHBondContact CB-O 3.26Å; P82-G94 WeakPolarHBondContact CG-O 3.21Å; P82-Y109 PolarHBondContact O-OH 3.4Å
83N73.8Confident69.1Low121 Ų12186 Ų8665%0.64752%0.523SS*.PPolyproline II helixtrans-53152.9177.6-144.233.1000112.4C95 L96N83-C95 VanDerWaalsContact O-CB 3.29Å; N83-C95 WeakPolarHBondContact O-CB 3.39Å; N83-L96 PolarHBondContact O-N 2.98Å
84P79.8Confident70.1Confident34 Ų3484.9 Ų84.922%0.22152%0.518CS..BIsolated β-bridgetrans-65.1153.2-179.325.2-32.2000113.4L96 F99P84-L96 CarbonylContact C-O 3.52Å; P84-L96 WeakPolarHBondContact CA-O 3.4Å; P84-L96 HydrophobicContact CB-CB 4.43Å; P84-L96 WeakPolarHBondContact CB-O 3.41Å; P84-F99 HydrophobicContact CB-CD1 3.22Å; P84-F99 HydrophobicContact CB-CD2 4.39Å; P84-F99 HydrophobicContact CB-CE1 3.3Å; P84-F99 HydrophobicContact CB-CE2 4.45Å; P84-F99 HydrophobicContact CB-CG 3.81Å; P84-F99 HydrophobicContact CB-CZ 3.94Å; P84-F99 HydrophobicContact CG-CD1 3.96Å; P84-F99 HydrophobicContact CG-CD2 4.3Å; P84-F99 HydrophobicContact CG-CE1 3.79Å; P84-F99 HydrophobicContact CG-CE2 4.15Å; P84-F99 HydrophobicContact CG-CG 4.2Å; P84-F99 HydrophobicContact CG-CZ 3.89Å
85C77.2Confident71.2Confident25 Ų2580.4 Ų80.417%0.16949%0.492CS..PPolyproline II helixtrans-65.3133.7-173.2-66.90000111.9M89 C95 L96C85-M89 HydrophobicContact CB-CB 4.29Å; C85-C95 WeakPolarHBondContact CA-SG 3.32Å; C85-C95 HydrophobicContact CB-CB 3.93Å; C85-C95 WeakPolarHBondContact CB-SG 3.26Å; C85-C95 WeakPolarHBondContact SG-CB 3.3Å; C85-C95 PolarHBondContact SG-O 2.74Å; C85-C95 VanDerWaalsContact SG-O 3.33Å; C85-C95 CovalentContact SG-SG 2.03Å; C85-C95 PolarHBondContact SG-SG 3.06Å; C85-L96 PolarHBondContact N-O 3.07Å
86P77.5Confident72.3Confident58 Ų5876.2 Ų76.238%0.37747%0.47SS..PPolyproline II helixtrans-64.2160.5164.730.5-34.5000109.9G88 M89P86-G88 PolarHBondContact O-N 2.81Å; P86-G88 VanDerWaalsContact O-N 3.15Å; P86-M89 HydrophobicContact CG-CB 4.1Å; P86-M89 HydrophobicContact CG-CE 4.08Å; P86-M89 HydrophobicContact CG-CG 3.85Å; P86-M89 HydrophobicContact CG-SD 3.37Å; P86-M89 WeakPolarHBondContact CG-SD 3.41Å; P86-M89 PolarHBondContact O-N 3.14Å
87P76.6Confident73.4Confident141 Ų14177.3 Ų77.392%0.91647%0.469SS*.THydrogen-bonded Turntrans-58.5122.9-18024.4-34.1000111
88G78.2Confident74.8Confident85 Ų8581.2 Ų81.288%0.87648%0.481SS*.THydrogen-bonded Turntrans97.7-1178.100000115.8P86P86-G88 PolarHBondContact O-N 2.81Å; P86-G88 VanDerWaalsContact O-N 3.15Å
89M74.9Confident75.9Confident62 Ų6276 Ų7631%0.30546%0.458SS..  trans-101.7151.7168.9-69.8-174.4-173.400110.8N39 C85 P86 D93N39-M89 WeakPolarHBondContact ND2-CE 3.38Å; C85-M89 HydrophobicContact CB-CB 4.29Å; P86-M89 HydrophobicContact CG-CB 4.1Å; P86-M89 HydrophobicContact CG-CE 4.08Å; P86-M89 HydrophobicContact CG-CG 3.85Å; P86-M89 HydrophobicContact CG-SD 3.37Å; P86-M89 WeakPolarHBondContact CG-SD 3.41Å; P86-M89 PolarHBondContact O-N 3.14Å; M89-D93 WeakPolarHBondContact CA-OD2 3.24Å; M89-D93 HydrophobicContact CB-CB 4.34Å; M89-D93 WeakPolarHBondContact CB-OD2 3.29Å; M89-D93 WeakPolarHBondContact CG-OD2 3.41Å
90T80.9Confident76.6Confident56 Ų5680.4 Ų80.434%0.34448%0.475SS..  trans-115.5173.2-178.458.60000111.3E92 D93 C95 E97T90-E92 PolarHBondContact O-N 3.2Å; T90-D93 PolarHBondContact N-OD2 3.01Å; T90-D93 WeakPolarHBondContact O-CB 3.3Å; T90-D93 PolarHBondContact O-N 2.74Å; T90-C95 PolarHBondContact O-SG 2.99Å; T90-C95 VanDerWaalsContact O-SG 3.41Å; T90-E97 VanDerWaalsContact C-OE1 3.3Å; T90-E97 WeakPolarHBondContact CA-OE1 3.36Å; T90-E97 WeakPolarHBondContact CB-OE1 3.45Å
91A80.7Confident77.2Confident58 Ų5882.2 Ų82.248%0.47949%0.485SS..G310 helixtrans-58.2-19.7174.200000112.4D93 G94 E97A91-D93 PolarHBondContact O-N 3.41Å; A91-G94 PolarHBondContact O-N 2.78Å; A91-G94 VanDerWaalsContact O-N 3.13Å; A91-E97 HydrophobicContact CB-CG 4.04Å; A91-E97 VanDerWaalsContact N-CD 3.33Å; A91-E97 PolarHBondContact N-OE1 2.71Å
92E79.9Confident78.2Confident183 Ų18382.6 Ų82.686%0.85549%0.486SS*.G310 helixtrans-64.9-28.1173.1-58-175.5169.100112.4T90 G94T90-E92 PolarHBondContact O-N 3.2Å; E92-G94 PolarHBondContact O-N 3.42Å
93D74.3Confident79Confident82 Ų8283.4 Ų83.444%0.43950%0.497SS..G310 helixtrans-82.52.5175.5-62.1-47.8000112.6M89 T90 A91M89-D93 WeakPolarHBondContact CA-OD2 3.24Å; M89-D93 HydrophobicContact CB-CB 4.34Å; M89-D93 WeakPolarHBondContact CB-OD2 3.29Å; M89-D93 WeakPolarHBondContact CG-OD2 3.41Å; T90-D93 PolarHBondContact N-OD2 3.01Å; T90-D93 WeakPolarHBondContact O-CB 3.3Å; T90-D93 PolarHBondContact O-N 2.74Å; A91-D93 PolarHBondContact O-N 3.41Å
94G73.8Confident79.7Confident47 Ų4784.6 Ų84.649%0.48550%0.499SS..THydrogen-bonded Turntrans79.425.7175.400000114.7P82 A91 E92P82-G94 WeakPolarHBondContact CB-O 3.26Å; P82-G94 WeakPolarHBondContact CG-O 3.21Å; A91-G94 PolarHBondContact O-N 2.78Å; A91-G94 VanDerWaalsContact O-N 3.13Å; E92-G94 PolarHBondContact O-N 3.42Å
95C78.5Confident80Confident18 Ų1886 Ų8612%0.12250%0.502CS..SBendtrans-116.5164.1175.654.50000111.6N83 C85 T90N83-C95 VanDerWaalsContact O-CB 3.29Å; N83-C95 WeakPolarHBondContact O-CB 3.39Å; C85-C95 WeakPolarHBondContact CA-SG 3.32Å; C85-C95 HydrophobicContact CB-CB 3.93Å; C85-C95 WeakPolarHBondContact CB-SG 3.26Å; C85-C95 WeakPolarHBondContact SG-CB 3.3Å; C85-C95 PolarHBondContact SG-O 2.74Å; C85-C95 VanDerWaalsContact SG-O 3.33Å; C85-C95 CovalentContact SG-SG 2.03Å; C85-C95 PolarHBondContact SG-SG 3.06Å; T90-C95 PolarHBondContact O-SG 2.99Å; T90-C95 VanDerWaalsContact O-SG 3.41Å
96L79Confident80.3Confident56 Ų5686.8 Ų86.829%0.29351%0.508SS..BIsolated β-bridgetrans-85.7112.7-179.2-174.568.4000111.3N83 P84 C85 D98 F99 Y109N83-L96 PolarHBondContact O-N 2.98Å; P84-L96 CarbonylContact C-O 3.52Å; P84-L96 WeakPolarHBondContact CA-O 3.4Å; P84-L96 HydrophobicContact CB-CB 4.43Å; P84-L96 WeakPolarHBondContact CB-O 3.41Å; C85-L96 PolarHBondContact N-O 3.07Å; L96-D98 WeakPolarHBondContact CG-O 3.29Å; L96-F99 HydrophobicContact CD2-CB 3.73Å; L96-F99 HydrophobicContact CG-CB 4.32Å; L96-Y109 HydrophobicContact CD2-CE2 4.23Å
97E79.7Confident80.6Confident98 Ų9892.2 Ų92.246%0.45852%0.521SS..SBendtrans-71.3-48.6177.3-69.3-177.9170.400112.3T90 A91T90-E97 VanDerWaalsContact C-OE1 3.3Å; T90-E97 WeakPolarHBondContact CA-OE1 3.36Å; T90-E97 WeakPolarHBondContact CB-OE1 3.45Å; A91-E97 HydrophobicContact CB-CG 4.04Å; A91-E97 VanDerWaalsContact N-CD 3.33Å; A91-E97 PolarHBondContact N-OE1 2.71Å
98D79.4Confident80.9Confident144 Ų14487.8 Ų87.877%0.7750%0.496SS*.SBendtrans-102.1110.2-176.4-73-32.8000110.8L96L96-D98 WeakPolarHBondContact CG-O 3.29Å
99F81Confident81.2Confident77 Ų7785.4 Ų85.434%0.33846%0.461SS..  trans-140.8150174.375.7-81.2000112.1P84 L96 N101 F105P84-F99 HydrophobicContact CB-CD1 3.22Å; P84-F99 HydrophobicContact CB-CD2 4.39Å; P84-F99 HydrophobicContact CB-CE1 3.3Å; P84-F99 HydrophobicContact CB-CE2 4.45Å; P84-F99 HydrophobicContact CB-CG 3.81Å; P84-F99 HydrophobicContact CB-CZ 3.94Å; P84-F99 HydrophobicContact CG-CD1 3.96Å; P84-F99 HydrophobicContact CG-CD2 4.3Å; P84-F99 HydrophobicContact CG-CE1 3.79Å; P84-F99 HydrophobicContact CG-CE2 4.15Å; P84-F99 HydrophobicContact CG-CG 4.2Å; P84-F99 HydrophobicContact CG-CZ 3.89Å; L96-F99 HydrophobicContact CD2-CB 3.73Å; L96-F99 HydrophobicContact CG-CB 4.32Å; F99-N101 HydrophobicContact CE2-CB 3.89Å; F99-N101 HydrophobicContact CZ-CB 4.45Å; F99-N101 PolarHBondContact O-N 3.05Å; F99-F105 HydrophobicContact CB-CE1 3.89Å; F99-F105 HydrophobicContact CB-CZ 4.36Å; F99-F105 HydrophobicContact CD2-CE1 4.49Å
100E83.5Confident81.3Confident130 Ų13088.7 Ų88.761%0.60748%0.475SS*.  trans-75.3113.8171.5-66.5-174.7174.700109.4T102 F105E100-T102 HydrophobicContact CB-CG2 4.48Å; E100-T102 PolarHBondContact O-N 2.79Å; E100-F105 HydrophobicContact CB-CB 4.14Å; E100-F105 HydrophobicContact CB-CD2 4.21Å; E100-F105 HydrophobicContact CB-CG 4.06Å; E100-F105 WeakPolarHBondContact O-CB 3.44Å; E100-F105 VanDerWaalsContact O-CD1 3.28Å; E100-F105 WeakPolarHBondContact O-CD1 3.35Å
101N80.4Confident81.1Confident139 Ų13989.7 Ų89.774%0.74349%0.489SS*.  trans-77.461.7176.6-165.1-1.3000111.3F99F99-N101 HydrophobicContact CE2-CB 3.89Å; F99-N101 HydrophobicContact CZ-CB 4.45Å; F99-N101 PolarHBondContact O-N 3.05Å
102T86.1Confident81Confident64 Ų6493.1 Ų93.139%0.39350%0.5SS..  trans-118.5142.5174.471.30000110E100 E104 F105 S106E100-T102 HydrophobicContact CB-CG2 4.48Å; E100-T102 PolarHBondContact O-N 2.79Å; T102-E104 PolarHBondContact O-N 3.4Å; T102-F105 PolarHBondContact O-N 2.94Å; T102-F105 WeakPolarHBondContact OG1-CB 3.02Å; T102-F105 PolarHBondContact OG1-N 3.14Å; T102-F105 VanDerWaalsContact OG1-N 3.12Å; T102-S106 PolarHBondContact O-N 3.35Å; T102-S106 PolarHBondContact O-OG 3.39Å
103A84.8Confident80.8Confident74 Ų7485 Ų8561%0.61246%0.462SS*.Hα-helixtrans-64.6-21.6177.800000112.9R107A103-R107 WeakPolarHBondContact O-CG 3.37Å; A103-R107 PolarHBondContact O-N 3.28Å; A103-R107 PolarHBondContact O-NE 3.07Å
104E87.3Confident80.6Confident146 Ų14684.1 Ų84.168%0.68246%0.457SS*.Hα-helixtrans-72.4-48.6172.8-173.3167.2-168.600111.1T102 S106 R107 A108T102-E104 PolarHBondContact O-N 3.4Å; E104-S106 PolarHBondContact O-N 3.46Å; E104-R107 PolarHBondContact O-N 3.43Å; E104-A108 PolarHBondContact O-N 2.81Å
105F86.5Confident80.4Confident62 Ų6283.7 Ų83.727%0.27245%0.446SS..Hα-helixtrans-57.2-48.4173.5-178.5-93.3000110.9F99 E100 T102 R107 A108 Y109F99-F105 HydrophobicContact CB-CE1 3.89Å; F99-F105 HydrophobicContact CB-CZ 4.36Å; F99-F105 HydrophobicContact CD2-CE1 4.49Å; E100-F105 HydrophobicContact CB-CB 4.14Å; E100-F105 HydrophobicContact CB-CD2 4.21Å; E100-F105 HydrophobicContact CB-CG 4.06Å; E100-F105 WeakPolarHBondContact O-CB 3.44Å; E100-F105 VanDerWaalsContact O-CD1 3.28Å; E100-F105 WeakPolarHBondContact O-CD1 3.35Å; T102-F105 PolarHBondContact O-N 2.94Å; T102-F105 WeakPolarHBondContact OG1-CB 3.02Å; T102-F105 PolarHBondContact OG1-N 3.14Å; T102-F105 VanDerWaalsContact OG1-N 3.12Å; F105-R107 VanDerWaalsContact C-N 3.3Å; F105-R107 PolarHBondContact O-N 3.25Å; F105-A108 PolarHBondContact O-N 2.87Å; F105-Y109 AromaticContact CE1-CD2 3.93Å; F105-Y109 HydrophobicContact CE1-CD2 3.93Å; F105-Y109 HydrophobicContact CE1-CG 4.12Å; F105-Y109 AromaticContact CZ-CD2 3.78Å; F105-Y109 HydrophobicContact CZ-CD2 3.78Å; F105-Y109 HydrophobicContact CZ-CE2 4.37Å; F105-Y109 HydrophobicContact CZ-CG 4.41Å; F105-Y109 WeakPolarHBondContact O-CB 3.42Å; F105-Y109 PolarHBondContact O-N 3.09Å
106S83.3Confident79.9Confident42 Ų4285.6 Ų85.629%0.29446%0.455SS..Hα-helixtrans-59.4-38.4179.6-53.50000113.2T102 E104 Q110T102-S106 PolarHBondContact O-N 3.35Å; T102-S106 PolarHBondContact O-OG 3.39Å; E104-S106 PolarHBondContact O-N 3.46Å; S106-Q110 VanDerWaalsContact O-CB 3.3Å; S106-Q110 WeakPolarHBondContact O-CB 3.35Å; S106-Q110 WeakPolarHBondContact O-CG 3.39Å; S106-Q110 PolarHBondContact O-N 3.26Å
107R83.2Confident79.5Confident172 Ų17283.4 Ų83.465%0.64944%0.444SS*.Hα-helixtrans-68.7-46.6177.7-78.5-175.5-65.11744112.1A103 E104 F105 Y109 A111A103-R107 WeakPolarHBondContact O-CG 3.37Å; A103-R107 PolarHBondContact O-N 3.28Å; A103-R107 PolarHBondContact O-NE 3.07Å; E104-R107 PolarHBondContact O-N 3.43Å; F105-R107 VanDerWaalsContact C-N 3.3Å; F105-R107 PolarHBondContact O-N 3.25Å; R107-Y109 VanDerWaalsContact C-N 3.34Å; R107-A111 VanDerWaalsContact O-CB 3.24Å; R107-A111 WeakPolarHBondContact O-CB 3.37Å; R107-A111 PolarHBondContact O-N 3.24Å
108A84.6Confident78.9Confident49 Ų4981.7 Ų81.741%0.40544%0.438SS..Hα-helixtrans-64.8-42.1177.400000111.1E104 F105 A111 N112E104-A108 PolarHBondContact O-N 2.81Å; F105-A108 PolarHBondContact O-N 2.87Å; A108-A111 PolarHBondContact O-N 3.34Å; A108-N112 WeakPolarHBondContact O-CB 3.49Å; A108-N112 VanDerWaalsContact O-CG 3.22Å; A108-N112 PolarHBondContact O-N 3.41Å; A108-N112 PolarHBondContact O-ND2 3.47Å
109Y82.6Confident78.3Confident35 Ų3580.8 Ų80.814%0.13743%0.429CS..Hα-helixtrans-59.4-52.3177.8-168.9-100.2000110.9P81 P82 L96 F105 R107 A111 N112 Q113P81-Y109 HydrophobicContact CB-CE2 4.38Å; P81-Y109 WeakPolarHBondContact CB-OH 3.32Å; P81-Y109 HydrophobicContact CG-CD2 4.48Å; P81-Y109 HydrophobicContact CG-CE2 3.63Å; P81-Y109 WeakPolarHBondContact CG-OH 3.46Å; P81-Y109 PolarHBondContact O-OH 3.34Å; P82-Y109 PolarHBondContact O-OH 3.4Å; L96-Y109 HydrophobicContact CD2-CE2 4.23Å; F105-Y109 AromaticContact CE1-CD2 3.93Å; F105-Y109 HydrophobicContact CE1-CD2 3.93Å; F105-Y109 HydrophobicContact CE1-CG 4.12Å; F105-Y109 AromaticContact CZ-CD2 3.78Å; F105-Y109 HydrophobicContact CZ-CD2 3.78Å; F105-Y109 HydrophobicContact CZ-CE2 4.37Å; F105-Y109 HydrophobicContact CZ-CG 4.41Å; F105-Y109 WeakPolarHBondContact O-CB 3.42Å; F105-Y109 PolarHBondContact O-N 3.09Å; R107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-A111 VanDerWaalsContact C-N 3.34Å; Y109-A111 PolarHBondContact O-N 3.43Å; Y109-N112 PolarHBondContact O-N 3.15Å; Y109-Q113 VanDerWaalsContact CD1-NE2 3.32Å; Y109-Q113 VanDerWaalsContact O-CG 3.28Å; Y109-Q113 WeakPolarHBondContact O-CG 3.2Å; Y109-Q113 PolarHBondContact O-N 3.22Å; Y109-Q113 PolarHBondContact O-NE2 3.42Å
110Q78.1Confident77.5Confident130 Ų13083.5 Ų83.561%0.60745%0.447SS*.Hα-helixtrans-63.1-36176.8-73.7173.313.900113.1S106 N112 Q113S106-Q110 VanDerWaalsContact O-CB 3.3Å; S106-Q110 WeakPolarHBondContact O-CB 3.35Å; S106-Q110 WeakPolarHBondContact O-CG 3.39Å; S106-Q110 PolarHBondContact O-N 3.26Å; Q110-N112 VanDerWaalsContact C-N 3.33Å; Q110-Q113 VanDerWaalsContact O-CB 3.31Å; Q110-Q113 WeakPolarHBondContact O-CB 3.37Å; Q110-Q113 WeakPolarHBondContact O-CG 3.22Å; Q110-Q113 PolarHBondContact O-N 3.26Å
111A77.3Confident76.6Confident77 Ų7783.8 Ų83.864%0.63645%0.448SS*.Hα-helixtrans-71.1-29.317900000113R107 A108 Y109 Q113R107-A111 VanDerWaalsContact O-CB 3.24Å; R107-A111 WeakPolarHBondContact O-CB 3.37Å; R107-A111 PolarHBondContact O-N 3.24Å; A108-A111 PolarHBondContact O-N 3.34Å; Y109-A111 VanDerWaalsContact C-N 3.34Å; Y109-A111 PolarHBondContact O-N 3.43Å; A111-Q113 VanDerWaalsContact C-N 3.3Å
112N78.6Confident76.1Confident130 Ų13082.3 Ų82.370%0.69544%0.438SS*.THydrogen-bonded Turntrans-86.1-2.2178.4-68.7-13.7000113.1A108 Y109 Q110A108-N112 WeakPolarHBondContact O-CB 3.49Å; A108-N112 VanDerWaalsContact O-CG 3.22Å; A108-N112 PolarHBondContact O-N 3.41Å; A108-N112 PolarHBondContact O-ND2 3.47Å; Y109-N112 PolarHBondContact O-N 3.15Å; Q110-N112 VanDerWaalsContact C-N 3.33Å
113Q75Confident75Confident14 Ų1488.9 Ų88.97%0.06546%0.462CS..  trans-68.9128.9179.2-69.5-59.9-37.600111.7C79 D80 P81 Y109 Q110 A111 C115 H129C79-Q113 HydrophobicContact CB-CB 3.61Å; C79-Q113 HydrophobicContact CB-CG 4.08Å; C79-Q113 VanDerWaalsContact CB-OE1 3.28Å; C79-Q113 PolarHBondContact O-OE1 3Å; D80-Q113 CarbonylContact O-C 3.55Å; D80-Q113 WeakPolarHBondContact O-CA 3.24Å; D80-Q113 PolarHBondContact O-OE1 2.76Å; D80-Q113 VanDerWaalsContact O-OE1 3.1Å; P81-Q113 PolarHBondContact O-NE2 3.5Å; P81-Q113 PolarHBondContact O-OE1 3.02Å; Y109-Q113 VanDerWaalsContact CD1-NE2 3.32Å; Y109-Q113 VanDerWaalsContact O-CG 3.28Å; Y109-Q113 WeakPolarHBondContact O-CG 3.2Å; Y109-Q113 PolarHBondContact O-N 3.22Å; Y109-Q113 PolarHBondContact O-NE2 3.42Å; Q110-Q113 VanDerWaalsContact O-CB 3.31Å; Q110-Q113 WeakPolarHBondContact O-CB 3.37Å; Q110-Q113 WeakPolarHBondContact O-CG 3.22Å; Q110-Q113 PolarHBondContact O-N 3.26Å; A111-Q113 VanDerWaalsContact C-N 3.3Å; Q113-C115 VanDerWaalsContact C-N 3.31Å; Q113-C115 PolarHBondContact O-N 3.35Å; Q113-C115 VanDerWaalsContact O-N 3.09Å; Q113-H129 PolarHBondContact O-CE1 3.28Å; Q113-H129 PolarHBondContact O-NE2 3.26Å
114N70.1Confident74.3Confident62 Ų6290.4 Ų90.433%0.33247%0.468SS..BIsolated β-bridgetrans-84.878.1167.5-171.724.9000109.8D80 Y130D80-N114 PolarHBondContact O-N 3.22Å; N114-Y130 WeakPolarHBondContact ND2-CD2 3.12Å
115C69.2Low73.4Confident38 Ų3884.8 Ų84.826%0.25745%0.445SS..  trans-76.1152.2174.3-59.70000112.4C79 Q113 C117 H129C79-C115 HydrophobicContact CB-CB 3.83Å; C79-C115 WeakPolarHBondContact CB-SG 3.32Å; C79-C115 WeakPolarHBondContact SG-CA 3.37Å; C79-C115 WeakPolarHBondContact SG-CB 3.46Å; C79-C115 CovalentContact SG-SG 2.02Å; C79-C115 PolarHBondContact SG-SG 3.24Å; Q113-C115 VanDerWaalsContact C-N 3.31Å; Q113-C115 PolarHBondContact O-N 3.35Å; Q113-C115 VanDerWaalsContact O-N 3.09Å; C115-C117 PolarHBondContact O-N 3.28Å; C115-C117 VanDerWaalsContact O-N 3.17Å; C115-H129 PolarHBondContact N-CE1 3.5Å; C115-H129 PolarHBondContact O-CE1 3.41Å; C115-H129 PolarHBondContact O-ND1 3.43Å
116L68.6Low72.5Confident58 Ų5883.7 Ų83.730%0.30444%0.444SS..  trans-67.3116.2161.4-169.865000108.9P76 D118 Y130 A132P76-L116 HydrophobicContact CB-CB 4.2Å; P76-L116 HydrophobicContact CB-CD2 3.25Å; P76-L116 HydrophobicContact CB-CG 4.27Å; P76-L116 HydrophobicContact CG-CD2 3.4Å; L116-D118 PolarHBondContact O-N 3.43Å; L116-Y130 WeakPolarHBondContact CD1-O 3.26Å; L116-A132 HydrophobicContact CD1-CB 3.92Å; L116-A132 HydrophobicContact CD2-CB 3.68Å; L116-A132 HydrophobicContact CG-CB 4Å
117C70.8Confident71.5Confident10 Ų1086.7 Ų86.77%0.06846%0.462CS..BIsolated β-bridgetrans-82.2113.7176-154.60000109.6C115 C125 H129 Y130C115-C117 PolarHBondContact O-N 3.28Å; C115-C117 VanDerWaalsContact O-N 3.17Å; C117-C125 HydrophobicContact CB-CB 3.75Å; C117-C125 WeakPolarHBondContact CB-SG 3.42Å; C117-C125 WeakPolarHBondContact SG-CA 3.33Å; C117-C125 WeakPolarHBondContact SG-CB 2.97Å; C117-C125 CovalentContact SG-SG 2.02Å; C117-C125 PolarHBondContact SG-SG 2.9Å; C117-H129 HydrophobicContact CB-CB 4.06Å; C117-Y130 PolarHBondContact N-O 2.92Å
118D67.4Low70.4Confident63 Ų6387.3 Ų87.334%0.33747%0.466SS..  trans-90.3109.6174.3-179.713.6000109.9L116 D120 H121 M122L116-D118 PolarHBondContact O-N 3.43Å; D118-D120 PolarHBondContact O-N 3.4Å; D118-D120 WeakPolarHBondContact OD1-CB 3.45Å; D118-D120 PolarHBondContact OD1-N 2.96Å; D118-H121 PolarHBondContact O-N 3.17Å; D118-H121 IonicContact OD2-CE1 2.83Å; D118-H121 IonicContact OD2-CG 2.76Å; D118-H121 IonicContact OD2-ND1 3.53Å; D118-H121 PolarHBondContact OD2-ND1 3.11Å; D118-M122 VanDerWaalsContact O-CB 3.26Å; D118-M122 WeakPolarHBondContact O-CB 3.01Å; D118-M122 WeakPolarHBondContact O-CG 3.34Å; D118-M122 PolarHBondContact O-N 3.18Å
119E65.8Low69.3Low124 Ų12486.5 Ų86.558%0.57945%0.453SS*.THydrogen-bonded Turntrans-66.2-15.5179.5-64.4-165.6174.800112.8H121 R131E119-H121 VanDerWaalsContact C-N 3.26Å; E119-H121 PolarHBondContact O-N 2.77Å; E119-R131 IonicContact OE1-NE 3.25Å; E119-R131 PolarHBondContact OE1-NE 3.13Å
120D64Low68.2Low134 Ų13491.7 Ų91.772%0.71747%0.474SS*.THydrogen-bonded Turntrans-70.2-25.4176.3-73.4-15.9000112D118D118-D120 PolarHBondContact O-N 3.4Å; D118-D120 WeakPolarHBondContact OD1-CB 3.45Å; D118-D120 PolarHBondContact OD1-N 2.96Å
121H65.6Low67.4Low137 Ų13788.5 Ų88.563%0.63446%0.456SS*.THydrogen-bonded Turntrans-126.4-19.3-174.9-56.7104.6000114.1D118 E119D118-H121 PolarHBondContact O-N 3.17Å; D118-H121 IonicContact OD2-CE1 2.83Å; D118-H121 IonicContact OD2-CG 2.76Å; D118-H121 IonicContact OD2-ND1 3.53Å; D118-H121 PolarHBondContact OD2-ND1 3.11Å; E119-H121 VanDerWaalsContact C-N 3.26Å; E119-H121 PolarHBondContact O-N 2.77Å
122M68.7Low66.4Low108 Ų10886.9 Ų86.953%0.53244%0.443SS..  trans-103.4104.3178.4-60.1-97.479.500110D118 S124D118-M122 VanDerWaalsContact O-CB 3.26Å; D118-M122 WeakPolarHBondContact O-CB 3.01Å; D118-M122 WeakPolarHBondContact O-CG 3.34Å; D118-M122 PolarHBondContact O-N 3.18Å; M122-S124 PolarHBondContact O-N 3.25Å
123F65Low65.5Low202 Ų20283.3 Ų83.389%0.88643%0.428SS*.SBendtrans-68-5178.8-60.3-75.6000114.2
124S68.3Low64.8Low106 Ų10685 Ų8574%0.74144%0.437SS*.  trans-152.278.7-174.1-550000110.9M122M122-S124 PolarHBondContact O-N 3.25Å
125C68.3Low64.1Low28 Ų2887.8 Ų87.819%0.18945%0.448CS..  trans-81.1125.7171.7-67.50000110.8C117C117-C125 HydrophobicContact CB-CB 3.75Å; C117-C125 WeakPolarHBondContact CB-SG 3.42Å; C117-C125 WeakPolarHBondContact SG-CA 3.33Å; C117-C125 WeakPolarHBondContact SG-CB 2.97Å; C117-C125 CovalentContact SG-SG 2.02Å; C117-C125 PolarHBondContact SG-SG 2.9Å
126P69Low63.4Low39 Ų3993.4 Ų93.425%0.25347%0.469SS..  trans-63.3145171.7-15.428000110.9Y128 H129P126-Y128 HydrophobicContact CB-CD1 4.11Å; P126-Y128 HydrophobicContact CB-CD2 3.97Å; P126-Y128 HydrophobicContact CB-CE1 3.61Å; P126-Y128 HydrophobicContact CB-CE2 3.44Å; P126-Y128 VanDerWaalsContact CB-CE2 3.44Å; P126-Y128 HydrophobicContact CB-CG 4.28Å; P126-Y128 HydrophobicContact CG-CE2 4.09Å; P126-Y128 PolarHBondContact O-N 3.2Å; P126-H129 PolarHBondContact O-N 3.02Å
127P62.5Low62.7Low104 Ų10495.5 Ų95.568%0.67548%0.475SS*.THydrogen-bonded Turntrans-65-15.6-173.425.5-34.1000114.4
128Y60Low61.7Low185 Ų185101 Ų10173%0.72550%0.504SS*.THydrogen-bonded Turntrans-95.8-3.2-178.344-96.4000114.3P126P126-Y128 HydrophobicContact CB-CD1 4.11Å; P126-Y128 HydrophobicContact CB-CD2 3.97Å; P126-Y128 HydrophobicContact CB-CE1 3.61Å; P126-Y128 HydrophobicContact CB-CE2 3.44Å; P126-Y128 VanDerWaalsContact CB-CE2 3.44Å; P126-Y128 HydrophobicContact CB-CG 4.28Å; P126-Y128 HydrophobicContact CG-CE2 4.09Å; P126-Y128 PolarHBondContact O-N 3.2Å
129H61.1Low61Low32 Ų32103 Ų10315%0.14852%0.515CS..SBendtrans-76.4138.8173.9-101.3-102.4000110.9Q113 C115 C117 P126 R131Q113-H129 PolarHBondContact O-CE1 3.28Å; Q113-H129 PolarHBondContact O-NE2 3.26Å; C115-H129 PolarHBondContact N-CE1 3.5Å; C115-H129 PolarHBondContact O-CE1 3.41Å; C115-H129 PolarHBondContact O-ND1 3.43Å; C117-H129 HydrophobicContact CB-CB 4.06Å; P126-H129 PolarHBondContact O-N 3.02Å; H129-R131 PolarHBondContact O-N 3.49Å; H129-R131 VanDerWaalsContact O-N 3.13Å
130Y58.5Low60.6Low145 Ų14598.7 Ų98.757%0.56950%0.501SS*.PPolyproline II helixtrans-54.9119.4168.4-96.4-100.9000108.6N114 L116 C117N114-Y130 WeakPolarHBondContact ND2-CD2 3.12Å; L116-Y130 WeakPolarHBondContact CD1-O 3.26Å; C117-Y130 PolarHBondContact N-O 2.92Å
131R61Low60.4Low63 Ų6397 Ų9724%0.23849%0.491CS..BIsolated β-bridgetrans-88.7141.6173.5-62.9-174.516480.44.4109.6E119 H129 S133 D134E119-R131 IonicContact OE1-NE 3.25Å; E119-R131 PolarHBondContact OE1-NE 3.13Å; H129-R131 PolarHBondContact O-N 3.49Å; H129-R131 VanDerWaalsContact O-N 3.13Å; R131-S133 WeakPolarHBondContact CB-OG 2.98Å; R131-S133 PolarHBondContact O-N 3.44Å; R131-D134 HydrophobicContact CB-CB 4.18Å; R131-D134 WeakPolarHBondContact CB-OD2 2.96Å; R131-D134 PolarHBondContact O-N 2.9Å
132A58Low60.5Low43 Ų4397.3 Ų97.336%0.35549%0.493SS..Hα-helixtrans-55.7-34.117100000111.4L116 D134L116-A132 HydrophobicContact CD1-CB 3.92Å; L116-A132 HydrophobicContact CD2-CB 3.68Å; L116-A132 HydrophobicContact CG-CB 4Å; A132-D134 VanDerWaalsContact C-N 3.33Å; A132-D134 PolarHBondContact O-N 3.43Å
133S58.6Low60.8Low54 Ų5498.4 Ų98.438%0.37850%0.495SS..Hα-helixtrans-66.3-31.7176.562.40000113.6R131 F136 K137R131-S133 WeakPolarHBondContact CB-OG 2.98Å; R131-S133 PolarHBondContact O-N 3.44Å; S133-F136 PolarHBondContact O-N 3.48Å; S133-K137 WeakPolarHBondContact O-CG 3.05Å; S133-K137 PolarHBondContact O-N 3.35Å; S133-K137 VanDerWaalsContact O-N 3.14Å
134D59.7Low61.2Low50 Ų5093 Ų9327%0.26748%0.476SS..Hα-helixtrans-80.7-23.2-168.3-65.8-11.1000111.9R131 A132 F136 K137R131-D134 HydrophobicContact CB-CB 4.18Å; R131-D134 WeakPolarHBondContact CB-OD2 2.96Å; R131-D134 PolarHBondContact O-N 2.9Å; A132-D134 VanDerWaalsContact C-N 3.33Å; A132-D134 PolarHBondContact O-N 3.43Å; D134-F136 PolarHBondContact O-N 3.06Å; D134-K137 PolarHBondContact O-N 3.47Å; D134-K137 WeakPolarHBondContact OD1-CD 3.42Å; D134-K137 WeakPolarHBondContact OD1-CE 3Å; D134-K137 IonicContact OD1-NZ 3.85Å; D134-K137 PolarHBondContact OD1-NZ 3.19Å
135Q56Low61.6Low121 Ų12193.2 Ų93.257%0.56547%0.469SS*.Hα-helixtrans-65.3-28.2169.1-88.8-174.60.100113
136F53.9Low62Low155 Ų15594.2 Ų94.268%0.6848%0.479SS*.Hα-helixtrans-90.4-24.2176.2-73.1-80.4000113S133 D134 N138 N139 A140S133-F136 PolarHBondContact O-N 3.48Å; D134-F136 PolarHBondContact O-N 3.06Å; F136-N138 PolarHBondContact O-N 3.09Å; F136-N139 PolarHBondContact O-N 3.14Å; F136-A140 VanDerWaalsContact O-CB 3.26Å; F136-A140 WeakPolarHBondContact O-CB 2.98Å; F136-A140 PolarHBondContact O-N 3.41Å
137K54.3Low62.6Low102 Ų10296 Ų9644%0.44349%0.486SS..Hα-helixtrans-61.6-40.5-178.8-80178.7-169.81600113.7S133 D134 N139 A140 D141S133-K137 WeakPolarHBondContact O-CG 3.05Å; S133-K137 PolarHBondContact O-N 3.35Å; S133-K137 VanDerWaalsContact O-N 3.14Å; D134-K137 PolarHBondContact O-N 3.47Å; D134-K137 WeakPolarHBondContact OD1-CD 3.42Å; D134-K137 WeakPolarHBondContact OD1-CE 3Å; D134-K137 IonicContact OD1-NZ 3.85Å; D134-K137 PolarHBondContact OD1-NZ 3.19Å; K137-N139 PolarHBondContact O-N 3.17Å; K137-N139 VanDerWaalsContact O-N 3.14Å; K137-A140 PolarHBondContact O-N 3.22Å; K137-D141 PolarHBondContact O-N 2.86Å
138N50.8Low63.4Low125 Ų12596.7 Ų96.767%0.66848%0.48SS*.Hα-helixtrans-62.2-25.9179.4-63.8-17.8000113.2F136F136-N138 PolarHBondContact O-N 3.09Å
139N52.4Low64.4Low106 Ų10694.6 Ų94.657%0.56747%0.474SS*.Hα-helixtrans-98.6-21.1175.4-61.5-39.4000112.4F136 K137 F143F136-N139 PolarHBondContact O-N 3.14Å; K137-N139 PolarHBondContact O-N 3.17Å; K137-N139 VanDerWaalsContact O-N 3.14Å; N139-F143 WeakPolarHBondContact O-CB 3.04Å; N139-F143 PolarHBondContact O-N 3.15Å
140A57.7Low65.2Low34 Ų3498.3 Ų98.328%0.28150%0.495SS..Hα-helixtrans-73-39.7177.300000110.7F136 K137 E142 F143 D144F136-A140 VanDerWaalsContact O-CB 3.26Å; F136-A140 WeakPolarHBondContact O-CB 2.98Å; F136-A140 PolarHBondContact O-N 3.41Å; K137-A140 PolarHBondContact O-N 3.22Å; A140-E142 VanDerWaalsContact C-N 3.3Å; A140-E142 PolarHBondContact O-N 3.06Å; A140-F143 PolarHBondContact O-N 3.18Å; A140-D144 WeakPolarHBondContact O-CB 3.14Å; A140-D144 VanDerWaalsContact O-CG 3.26Å; A140-D144 PolarHBondContact O-N 3.36Å
141D59.6Low65.8Low98 Ų9896.7 Ų96.752%0.52450%0.496SS..Hα-helixtrans-61.8-40.2175.8-62.6-24.2000110.6K137 D145K137-D141 PolarHBondContact O-N 2.86Å; D141-D145 VanDerWaalsContact O-CB 3.3Å; D141-D145 WeakPolarHBondContact O-CB 3.37Å; D141-D145 PolarHBondContact O-N 2.02Å
142E66.3Low66.2Low143 Ų143100 Ų10067%0.66851%0.513SS*.Hα-helixtrans-72.2-34.6176.3-169174.6-174.400113A140 A146A140-E142 VanDerWaalsContact C-N 3.3Å; A140-E142 PolarHBondContact O-N 3.06Å; E142-A146 VanDerWaalsContact O-CB 3.24Å; E142-A146 WeakPolarHBondContact O-CB 3.39Å; E142-A146 PolarHBondContact O-N 2.73Å
143F75.2Confident66.8Low132 Ų132104 Ų10458%0.57953%0.528SS*.Hα-helixtrans-73.4-39.2175.3-177.7-95.3000112.4N139 A140 A146 L147N139-F143 WeakPolarHBondContact O-CB 3.04Å; N139-F143 PolarHBondContact O-N 3.15Å; A140-F143 PolarHBondContact O-N 3.18Å; F143-A146 PolarHBondContact O-N 2.02Å; F143-L147 VanDerWaalsContact O-CB 3.26Å; F143-L147 WeakPolarHBondContact O-CB 3.13Å; F143-L147 PolarHBondContact O-N 3.41Å
144D74.1Confident67Low89 Ų89103.7 Ų103.748%0.47653%0.526SS..Hα-helixtrans-66.8-42.5176.7-75.7-21000109.9A140 A146 L147 E148A140-D144 WeakPolarHBondContact O-CB 3.14Å; A140-D144 VanDerWaalsContact O-CG 3.26Å; A140-D144 PolarHBondContact O-N 3.36Å; D144-A146 PolarHBondContact O-N 3.34Å; D144-L147 PolarHBondContact O-N 2.03Å; D144-E148 WeakPolarHBondContact O-CB 2.98Å; D144-E148 PolarHBondContact O-N 3.17Å
145D76.6Confident66.8Low110 Ų110107.2 Ų107.259%0.58854%0.544SS*.Hα-helixtrans-61.6-41171-77.9-10.6000111.8D141 K149D141-D145 VanDerWaalsContact O-CB 3.3Å; D141-D145 WeakPolarHBondContact O-CB 3.37Å; D141-D145 PolarHBondContact O-N 2.02Å; D145-K149 VanDerWaalsContact O-CB 3.29Å; D145-K149 WeakPolarHBondContact O-CB 3.21Å; D145-K149 PolarHBondContact O-N 3.25Å
146A77.3Confident66.9Low49 Ų49107.2 Ų107.241%0.40555%0.547SS..Hα-helixtrans-69.1-34.9176.700000112.8E142 F143 D144 L150E142-A146 VanDerWaalsContact O-CB 3.24Å; E142-A146 WeakPolarHBondContact O-CB 3.39Å; E142-A146 PolarHBondContact O-N 2.73Å; F143-A146 PolarHBondContact O-N 2.02Å; D144-A146 PolarHBondContact O-N 3.34Å; A146-L150 WeakPolarHBondContact O-CB 3.17Å; A146-L150 PolarHBondContact O-N 3.06Å
147L81.1Confident66.5Low77 Ų77107.7 Ų107.740%0.40355%0.552SS.*Hα-helixtrans-71-42.5176.6-176.768.2000111F143 D144 K149 L150 L151F143-L147 VanDerWaalsContact O-CB 3.26Å; F143-L147 WeakPolarHBondContact O-CB 3.13Å; F143-L147 PolarHBondContact O-N 3.41Å; D144-L147 PolarHBondContact O-N 2.03Å; L147-K149 VanDerWaalsContact C-N 3.35Å; L147-L150 PolarHBondContact O-N 3.33Å; L147-L151 HydrophobicContact CG-CD1 4.11Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.43Å
148E79.1Confident66.5Low118 Ų118106.4 Ų106.455%0.55157%0.567SS**Hα-helixtrans-62.1-44.8174.8-172.7163.5-156.500110.5D144 L150 L151 E152D144-E148 WeakPolarHBondContact O-CB 2.98Å; D144-E148 PolarHBondContact O-N 3.17Å; E148-L150 VanDerWaalsContact C-N 3.35Å; E148-L150 PolarHBondContact O-N 3.13Å; E148-L151 CarbonylContact O-C 3.38Å; E148-L151 WeakPolarHBondContact O-CB 3.39Å; E148-L151 PolarHBondContact O-N 2.98Å; E148-L151 VanDerWaalsContact O-N 3.16Å; E148-E152 WeakPolarHBondContact O-CG 3.34Å; E148-E152 PolarHBondContact O-N 3.04Å
149K80.5Confident66.4Low140 Ų140107.3 Ų107.361%0.60957%0.567SS**Hα-helixtrans-63.7-37.2175.4-150.6171.1-164.51690112.7D145 L147 E152 I153D145-K149 VanDerWaalsContact O-CB 3.29Å; D145-K149 WeakPolarHBondContact O-CB 3.21Å; D145-K149 PolarHBondContact O-N 3.25Å; L147-K149 VanDerWaalsContact C-N 3.35Å; K149-E152 PolarHBondContact O-N 3.09Å; K149-I153 WeakPolarHBondContact O-CB 3.32Å; K149-I153 VanDerWaalsContact O-CD1 3.32Å; K149-I153 WeakPolarHBondContact O-CD1 3.38Å; K149-I153 WeakPolarHBondContact O-CG1 3.49Å; K149-I153 PolarHBondContact O-N 2.66Å
150L77.5Confident66.4Low111 Ų111108.8 Ų108.858%0.58157%0.57SS**Hα-helixtrans-67.9-39.4172.7-93.4169.3000112.4A146 L147 E148 E152 I153 S154A146-L150 WeakPolarHBondContact O-CB 3.17Å; A146-L150 PolarHBondContact O-N 3.06Å; L147-L150 PolarHBondContact O-N 3.33Å; E148-L150 VanDerWaalsContact C-N 3.35Å; E148-L150 PolarHBondContact O-N 3.13Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-I153 PolarHBondContact O-N 3.35Å; L150-S154 WeakPolarHBondContact O-CB 3.16Å; L150-S154 PolarHBondContact O-N 2.96Å; L150-S154 PolarHBondContact O-OG 3.47Å; L150-S154 VanDerWaalsContact O-OG 3.08Å
151L72.2Confident66.2Low111 Ų111117.6 Ų117.658%0.58160%0.602SS**Hα-helixtrans-66.1-31.6175.3-79.5164.6000112.1L147 E148 S154L147-L151 HydrophobicContact CG-CD1 4.11Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.43Å; E148-L151 CarbonylContact O-C 3.38Å; E148-L151 WeakPolarHBondContact O-CB 3.39Å; E148-L151 PolarHBondContact O-N 2.98Å; E148-L151 VanDerWaalsContact O-N 3.16Å; L151-S154 WeakPolarHBondContact CA-OG 3.29Å; L151-S154 CarbonylContact O-C 3.59Å; L151-S154 PolarHBondContact O-OG 3.03Å
152E69.8Low66.2Low131 Ų131116 Ų11661%0.61261%0.609SS**Hα-helixtrans-74.4-40.4172.2-73-176.7161.900112.6E148 K149 L150E148-E152 WeakPolarHBondContact O-CG 3.34Å; E148-E152 PolarHBondContact O-N 3.04Å; K149-E152 PolarHBondContact O-N 3.09Å; L150-E152 VanDerWaalsContact C-N 3.3Å
153I70.1Confident65.8Low128 Ų128115.9 Ų115.966%0.65661%0.613SS**Hα-helixtrans-67.1-40.2176-69161.6000110.5K149 L150 N155K149-I153 WeakPolarHBondContact O-CB 3.32Å; K149-I153 VanDerWaalsContact O-CD1 3.32Å; K149-I153 WeakPolarHBondContact O-CD1 3.38Å; K149-I153 WeakPolarHBondContact O-CG1 3.49Å; K149-I153 PolarHBondContact O-N 2.66Å; L150-I153 PolarHBondContact O-N 3.35Å; I153-N155 PolarHBondContact O-N 3.31Å
154S63.4Low65Low48 Ų48116 Ų11634%0.33662%0.623SS.*SBendtrans-74.979.2167.872.20000108.2L150 L151 I156L150-S154 WeakPolarHBondContact O-CB 3.16Å; L150-S154 PolarHBondContact O-N 2.96Å; L150-S154 PolarHBondContact O-OG 3.47Å; L150-S154 VanDerWaalsContact O-OG 3.08Å; L151-S154 WeakPolarHBondContact CA-OG 3.29Å; L151-S154 CarbonylContact O-C 3.59Å; L151-S154 PolarHBondContact O-OG 3.03Å; S154-I156 PolarHBondContact O-N 3.43Å
155N55.6Low64.4Low123 Ų123115.9 Ų115.966%0.65864%0.635SS**  trans-59.565.3163.9-98.7-37.6000110.2I153 Q157I153-N155 PolarHBondContact O-N 3.31Å; N155-Q157 HydrophobicContact CB-CG 4.26Å; N155-Q157 PolarHBondContact O-N 2.99Å
156I57.1Low63.9Low122 Ų122118.9 Ų118.963%0.62664%0.643SS**  trans-73.967.1162.1-53.5173.1000104.7S154 G158S154-I156 PolarHBondContact O-N 3.43Å; I156-G158 PolarHBondContact O-N 3.07Å
157Q45.5Very low63.4Low165 Ų165125.1 Ų125.177%0.77166%0.661SS**  trans-62.5100.9166.3-69.8179.9-20.900106.2N155N155-Q157 HydrophobicContact CB-CG 4.26Å; N155-Q157 PolarHBondContact O-N 2.99Å
158G54.3Low62.3Low74 Ų74129.8 Ų129.876%0.76368%0.678SS**SBendtrans121.3-9.2148.200000119.3I156I156-G158 PolarHBondContact O-N 3.07Å
159E48.8Very low61.5Low144 Ų144132 Ų13267%0.67369%0.688SS**SBendtrans-130.6113.2-172.3-57.7-163.8163.300112.4
160H51.9Low60.8Low137 Ų137131 Ų13163%0.63469%0.694SS**  trans97.88.5162.9-42.9-55.6000121.4G162 L163H160-G162 PolarHBondContact O-N 2.73Å; H160-L163 HydrophobicContact CB-CD1 3.95Å; H160-L163 HydrophobicContact CB-CG 4.34Å; H160-L163 WeakPolarHBondContact ND1-CD1 3.28Å
161K54.5Low60.1Low219 Ų219134.6 Ų134.695%0.95271%0.705SS**THydrogen-bonded Turntrans-71.679.2163.4-65.2-172.7-175.2-173.80110.3
162G59.6Low59.5Low65 Ų65140.5 Ų140.567%0.6772%0.719SS**THydrogen-bonded Turntrans155.80.9-179.800000116.5H160 V164H160-G162 PolarHBondContact O-N 2.73Å; G162-V164 PolarHBondContact O-N 2.89Å
163L58.3Low59.1Low141 Ų141140.5 Ų140.574%0.73873%0.728SS**  trans-77.565.9174.8-66179.4000111.4H160 A165H160-L163 HydrophobicContact CB-CD1 3.95Å; H160-L163 HydrophobicContact CB-CG 4.34Å; H160-L163 WeakPolarHBondContact ND1-CD1 3.28Å; L163-A165 PolarHBondContact O-N 3.28Å
164V57.6Low58.4Low133 Ų133143.6 Ų143.681%0.80674%0.737SS**  trans-75.4103.7157.6178.30000106.2G162 K166G162-V164 PolarHBondContact O-N 2.89Å; V164-K166 PolarHBondContact O-N 3.43Å
165A60.6Low57.9Low88 Ų88152.1 Ų152.173%0.72776%0.762SS**  trans-56.4110170.700000108.7L163 K167L163-A165 PolarHBondContact O-N 3.28Å; A165-K167 PolarHBondContact O-N 3.23Å
166K66Low57.7Low173 Ų173158.4 Ų158.475%0.75278%0.776SS**  trans-55.2111.1167.3-114.2175.1178.2170.70106.8V164 F168V164-K166 PolarHBondContact O-N 3.43Å; K166-F168 VanDerWaalsContact C-N 3.31Å; K166-F168 HydrophobicContact CB-CD2 4.43Å; K166-F168 HydrophobicContact CB-CE2 4.21Å; K166-F168 WeakPolarHBondContact O-CD2 3.43Å; K166-F168 PolarHBondContact O-N 3.21Å
167K67.3Low57.6Low179 Ų179157.7 Ų157.778%0.77878%0.782SS**  trans-60.498167.5-79.3-175.7177.5179.20107.4A165 H169A165-K167 PolarHBondContact O-N 3.23Å; K167-H169 PolarHBondContact O-N 2.67Å
168F58.9Low58.1Low176 Ų176153.7 Ų153.777%0.77278%0.777SS**  trans-68.7101.1169-81.3-89.7000107.8K166 V170K166-F168 VanDerWaalsContact C-N 3.31Å; K166-F168 HydrophobicContact CB-CD2 4.43Å; K166-F168 HydrophobicContact CB-CE2 4.21Å; K166-F168 WeakPolarHBondContact O-CD2 3.43Å; K166-F168 PolarHBondContact O-N 3.21Å; F168-V170 PolarHBondContact O-N 3.03Å
169H62.4Low58Low163 Ų163156.1 Ų156.176%0.75578%0.78SS**  trans-69.983.4164.2-60.9-73.5000108.4K167 K171K167-H169 PolarHBondContact O-N 2.67Å; H169-K171 VanDerWaalsContact C-N 3.29Å; H169-K171 PolarHBondContact O-N 2.78Å
170V64.8Low58.2Low121 Ų121157.2 Ų157.273%0.73378%0.782SS**  trans-68.496.9164.2-179.80000106.5F168 R172F168-V170 PolarHBondContact O-N 3.03Å; V170-R172 PolarHBondContact O-N 3.1Å
171K63.1Low58.5Low186 Ų186161.9 Ų161.981%0.80979%0.794SS**  trans-59.5103166.3-70.7-178.2179.91770106.5H169 V173H169-K171 VanDerWaalsContact C-N 3.29Å; H169-K171 PolarHBondContact O-N 2.78Å; K171-V173 PolarHBondContact O-N 2.75Å
172R60.2Low58.7Low234 Ų234159.5 Ų159.588%0.88378%0.784SS**  trans-57.1103.4166.5-83.6-176.2178.5169.50.2107.3V170 K174V170-R172 PolarHBondContact O-N 3.1Å; R172-K174 VanDerWaalsContact C-N 3.35Å; R172-K174 PolarHBondContact O-N 2.84Å
173V60.1Low58.5Low132 Ų132161.5 Ų161.580%0.879%0.785SS**  trans-62103.6163-179.20000105.1K171 R175K171-V173 PolarHBondContact O-N 2.75Å; V173-R175 PolarHBondContact O-N 3.46Å
174K57.2Low58.2Low192 Ų192165.2 Ų165.284%0.83579%0.791SS**  trans-55.3106.6171.4-82.2-176.5175.9178.70106.7R172 R176R172-K174 VanDerWaalsContact C-N 3.35Å; R172-K174 PolarHBondContact O-N 2.84Å; K174-R176 PolarHBondContact O-N 3.19Å
175R52.6Low57.9Low228 Ų228163.3 Ų163.386%0.8678%0.784SS**  trans-55.7108.9168-76.3-174173.9161.2-1.6106.8V173 S177V173-R175 PolarHBondContact O-N 3.46Å; R175-S177 PolarHBondContact O-N 3.05Å
176R50.6Low57.5Low255 Ų255161.8 Ų161.896%0.96277%0.767SS**SBendtrans-70.180.7172.5-75.2176.8143.9152.9-5.7107.7K174K174-R176 PolarHBondContact O-N 3.19Å
177S54.2Low57Low106 Ų106156.7 Ų156.774%0.74175%0.753SS**  trans-162.652.4168.2580000110.5R175R175-S177 PolarHBondContact O-N 3.05Å
178A56.4Low56.4Low82 Ų82154.8 Ų154.868%0.67875%0.751SS**SBendtrans-138.4134.4158.400000106.9F180A178-F180 PolarHBondContact O-N 3.12Å
179P53.7Low56.4Low125 Ų125150.2 Ų150.281%0.81274%0.738SS**  trans-59.7118.6-176.224.4-31.6000108.6R181P179-R181 VanDerWaalsContact C-N 3.31Å; P179-R181 PolarHBondContact O-N 3.26Å
180F52.8Low56.3Low167 Ų167147.5 Ų147.573%0.73273%0.728SS**  trans-58.993.4172.9-179.2-104.1000108.3A178 K182A178-F180 PolarHBondContact O-N 3.12Å; F180-K182 VanDerWaalsContact C-N 3.34Å; F180-K182 HydrophobicContact CD1-CG 3.82Å; F180-K182 HydrophobicContact CE1-CB 4.42Å; F180-K182 HydrophobicContact CE1-CG 3.67Å; F180-K182 PolarHBondContact O-N 3.47Å
181R57.9Low56.1Low234 Ų234148.8 Ų148.888%0.88372%0.723SS**  trans-64.9102161.7-74.3-170.5177.4-168.9-0105.9P179 P183P179-R181 VanDerWaalsContact C-N 3.31Å; P179-R181 PolarHBondContact O-N 3.26Å; R181-P183 WeakPolarHBondContact O-CD 3.31Å
182K59Low56.1Low170 Ų170144.6 Ų144.674%0.73971%0.71SS**  trans-49.7121.2167.1-71.1178.7178.2-178.20106.7F180 Y184F180-K182 VanDerWaalsContact C-N 3.34Å; F180-K182 HydrophobicContact CD1-CG 3.82Å; F180-K182 HydrophobicContact CE1-CB 4.42Å; F180-K182 HydrophobicContact CE1-CG 3.67Å; F180-K182 PolarHBondContact O-N 3.47Å; K182-Y184 PolarHBondContact O-N 3.4Å
183P53.9Low56.2Low107 Ų107141.8 Ų141.870%0.69570%0.704SS**  trans-61.7115.2161.426.2-28.6000104.7R181 S185R181-P183 WeakPolarHBondContact O-CD 3.31Å; P183-S185 PolarHBondContact O-N 3.15Å
184Y52.2Low56.4Low219 Ų219139.8 Ų139.886%0.85969%0.688SS**  trans-59.599.4168.1-164.3-94.8000105K182 S186K182-Y184 PolarHBondContact O-N 3.4Å; Y184-S186 PolarHBondContact O-N 3.11Å
185S52.6Low56.7Low93 Ų93136.5 Ų136.565%0.6568%0.677SS**  trans-64.392.6177.6169.90000106.1P183 S187P183-S185 PolarHBondContact O-N 3.15Å; S185-S187 PolarHBondContact O-N 2.91Å; S185-S187 WeakPolarHBondContact OG-CB 3.41Å
186S50.7Low57.5Low55 Ų55131.8 Ų131.839%0.38567%0.669SS.*  trans-77.352.3168.287.20000108.1Y184 L188 T189 I190Y184-S186 PolarHBondContact O-N 3.11Å; S186-L188 PolarHBondContact O-N 3.3Å; S186-T189 WeakPolarHBondContact CB-OG1 3.43Å; S186-T189 PolarHBondContact O-N 3.38Å; S186-T189 PolarHBondContact O-OG1 2.96Å; S186-T189 PolarHBondContact OG-OG1 3.14Å; S186-T189 VanDerWaalsContact OG-OG1 3.07Å; S186-I190 PolarHBondContact O-N 3.36Å
187S56.1Low58.4Low66 Ų66122.4 Ų122.446%0.46264%0.638SS.*Hα-helixtrans-57.6-29.7173.81540000110.9S185S185-S187 PolarHBondContact O-N 2.91Å; S185-S187 WeakPolarHBondContact OG-CB 3.41Å
188L54.3Low59.5Low139 Ų139121.6 Ų121.673%0.72863%0.63SS**Hα-helixtrans-69.8-29174.5-73.8149.9000112.9S186 N192S186-L188 PolarHBondContact O-N 3.3Å; L188-N192 PolarHBondContact O-N 3.44Å
189T58.9Low60.3Low80 Ų80127.4 Ų127.449%0.49164%0.636SS.*Hα-helixtrans-80.7-30.4-177.1-18.80000112.6S186 N192 K193S186-T189 WeakPolarHBondContact CB-OG1 3.43Å; S186-T189 PolarHBondContact O-N 3.38Å; S186-T189 PolarHBondContact O-OG1 2.96Å; S186-T189 PolarHBondContact OG-OG1 3.14Å; S186-T189 VanDerWaalsContact OG-OG1 3.07Å; T189-N192 PolarHBondContact O-N 3.21Å; T189-K193 VanDerWaalsContact O-CB 3.24Å; T189-K193 WeakPolarHBondContact O-CB 3.3Å; T189-K193 PolarHBondContact O-N 3.29Å
190I60.5Low61Low106 Ų106127.1 Ų127.154%0.54463%0.627SS.*Hα-helixtrans-69.4-43.5177.8-63.3172.5000110S186 N192 K193 I194S186-I190 PolarHBondContact O-N 3.36Å; I190-N192 VanDerWaalsContact C-N 3.34Å; I190-N192 PolarHBondContact O-N 3.35Å; I190-K193 PolarHBondContact O-N 3.3Å; I190-I194 HydrophobicContact CG2-CD1 3.63Å; I190-I194 HydrophobicContact CG2-CG1 4.33Å; I190-I194 WeakPolarHBondContact O-CD1 3.33Å; I190-I194 WeakPolarHBondContact O-CG1 3.37Å; I190-I194 PolarHBondContact O-N 3.39Å
191K62Low61.8Low148 Ų148130.4 Ų130.464%0.64364%0.635SS**Hα-helixtrans-60.7-42.9174.8-73.2-174.3179-179.50111.8I194 M195K191-I194 PolarHBondContact O-N 3.46Å; K191-M195 WeakPolarHBondContact O-CB 3.28Å; K191-M195 WeakPolarHBondContact O-CG 3.2Å; K191-M195 PolarHBondContact O-N 2.96Å
192N61.9Low62.7Low98 Ų98122.5 Ų122.552%0.52463%0.625SS.*Hα-helixtrans-68.4-36.5178.2-70.4-8.9000112.9L188 T189 I190 M195 N196L188-N192 PolarHBondContact O-N 3.44Å; T189-N192 PolarHBondContact O-N 3.21Å; I190-N192 VanDerWaalsContact C-N 3.34Å; I190-N192 PolarHBondContact O-N 3.35Å; N192-M195 PolarHBondContact O-N 3.31Å; N192-N196 WeakPolarHBondContact O-CB 3.09Å; N192-N196 PolarHBondContact O-N 3.01Å
193K61.7Low63.6Low175 Ų175123.3 Ų123.376%0.76163%0.632SS**Hα-helixtrans-71.3-30.4178.4-162171.9-174179.10113.1T189 I190T189-K193 VanDerWaalsContact O-CB 3.24Å; T189-K193 WeakPolarHBondContact O-CB 3.3Å; T189-K193 PolarHBondContact O-N 3.29Å; I190-K193 PolarHBondContact O-N 3.3Å
194I64.6Low64.5Low90 Ų90124.8 Ų124.846%0.46262%0.624SS.*Hα-helixtrans-79.9-36.6174.6-56.3166.2000110.1I190 K191 R204I190-I194 HydrophobicContact CG2-CD1 3.63Å; I190-I194 HydrophobicContact CG2-CG1 4.33Å; I190-I194 WeakPolarHBondContact O-CD1 3.33Å; I190-I194 WeakPolarHBondContact O-CG1 3.37Å; I190-I194 PolarHBondContact O-N 3.39Å; K191-I194 PolarHBondContact O-N 3.46Å; I194-R204 PolarHBondContact O-NH2 2.76Å
195M64.7Low65.5Low123 Ų123122 Ų12261%0.60662%0.623SS**Hα-helixtrans-72.5-33.5179.6-69.6-69.1-69.900113.4K191 N192 R204K191-M195 WeakPolarHBondContact O-CB 3.28Å; K191-M195 WeakPolarHBondContact O-CG 3.2Å; K191-M195 PolarHBondContact O-N 2.96Å; N192-M195 PolarHBondContact O-N 3.31Å; M195-R204 VanDerWaalsContact N-NH2 3.14Å; M195-R204 VanDerWaalsContact SD-CZ 3.59Å; M195-R204 PolarHBondContact SD-NH1 3.41Å; M195-R204 PolarHBondContact SD-NH2 3.41Å
196N68.6Low66.7Low130 Ų130127 Ų12770%0.69563%0.633SS**THydrogen-bonded Turntrans-109.839.2-175.6-65.2-2.4000112.5N192 P198N192-N196 WeakPolarHBondContact O-CB 3.09Å; N192-N196 PolarHBondContact O-N 3.01Å; N196-P198 WeakPolarHBondContact O-CD 3.24Å
197N70.5Confident67.7Low58 Ų58131.3 Ų131.331%0.3166%0.656SS.*  trans-78110.4172.3-175.4-17000109.4Y199 L200N197-Y199 PolarHBondContact O-N 3.42Å; N197-Y199 VanDerWaalsContact O-N 3.07Å; N197-Y199 WeakPolarHBondContact OD1-CB 3.42Å; N197-Y199 WeakPolarHBondContact OD1-CD2 3.02Å; N197-Y199 PolarHBondContact OD1-N 3.19Å; N197-L200 HydrophobicContact CB-CB 4.16Å; N197-L200 HydrophobicContact CB-CD1 4.03Å; N197-L200 HydrophobicContact CB-CG 4.23Å; N197-L200 VanDerWaalsContact ND2-CD1 3.32Å; N197-L200 WeakPolarHBondContact ND2-CD1 3.49Å; N197-L200 WeakPolarHBondContact ND2-CG 3.33Å; N197-L200 PolarHBondContact O-N 3.25Å; N197-L200 VanDerWaalsContact O-N 3.15Å
198P76.1Confident68Low88 Ų88135.6 Ų135.657%0.57167%0.672SS**THydrogen-bonded Turntrans-64.8-14.5-176.727.8-34.8000113.6N196N196-P198 WeakPolarHBondContact O-CD 3.24Å
199Y72.6Confident68.5Low204 Ų204132.9 Ų132.980%0.867%0.67SS**THydrogen-bonded Turntrans-95.8-13.7180-53.6-75.4000113.9N197 R201N197-Y199 PolarHBondContact O-N 3.42Å; N197-Y199 VanDerWaalsContact O-N 3.07Å; N197-Y199 WeakPolarHBondContact OD1-CB 3.42Å; N197-Y199 WeakPolarHBondContact OD1-CD2 3.02Å; N197-Y199 PolarHBondContact OD1-N 3.19Å; Y199-R201 PolarHBondContact O-N 3.2Å
200L68.8Low68.7Low120 Ų120138.9 Ų138.963%0.62869%0.69SS**  trans-101.276.2177.7-69.6172.8000110.1N197 G202N197-L200 HydrophobicContact CB-CB 4.16Å; N197-L200 HydrophobicContact CB-CD1 4.03Å; N197-L200 HydrophobicContact CB-CG 4.23Å; N197-L200 VanDerWaalsContact ND2-CD1 3.32Å; N197-L200 WeakPolarHBondContact ND2-CD1 3.49Å; N197-L200 WeakPolarHBondContact ND2-CG 3.33Å; N197-L200 PolarHBondContact O-N 3.25Å; N197-L200 VanDerWaalsContact O-N 3.15Å; L200-G202 PolarHBondContact O-N 2.77Å
201R71Confident68.7Low236 Ų236141.5 Ų141.589%0.89170%0.697SS**  trans-87.296.9173.2-62.8-177.9-173.9172.9-0.7108.8Y199Y199-R201 PolarHBondContact O-N 3.2Å
202G77Confident68.3Low67 Ų67137.1 Ų137.169%0.69169%0.694SS**SBendtrans165.5162.6177.100000113.7L200 R204L200-G202 PolarHBondContact O-N 2.77Å; G202-R204 PolarHBondContact O-N 2.97Å
203Q77.8Confident68.3Low187 Ų187139.2 Ų139.287%0.87471%0.71SS**PPolyproline II helixtrans-64.4129.3173.4-174.21772.100109.4L205Q203-L205 PolarHBondContact O-N 3.18Å
204R72.5Confident68Low139 Ų139139.6 Ų139.653%0.52571%0.708SS.*PPolyproline II helixtrans-62.3122.2172.8-71.8-170.6-175.2132.76.8109.7I194 M195 G202I194-R204 PolarHBondContact O-NH2 2.76Å; M195-R204 VanDerWaalsContact N-NH2 3.14Å; M195-R204 VanDerWaalsContact SD-CZ 3.59Å; M195-R204 PolarHBondContact SD-NH1 3.41Å; M195-R204 PolarHBondContact SD-NH2 3.41Å; G202-R204 PolarHBondContact O-N 2.97Å
205L73Confident67.4Low160 Ų160139.8 Ų139.884%0.83872%0.724SS**PPolyproline II helixtrans-65.3135.1169-62.1175.8000108.9Q203 V207Q203-L205 PolarHBondContact O-N 3.18Å; L205-V207 PolarHBondContact O-N 3.26Å
206K76.8Confident66.7Low197 Ų197143.3 Ų143.386%0.85776%0.76SS**PPolyproline II helixtrans-60.4125170.9-74.3179178.9175.10107.3I208K206-I208 PolarHBondContact O-N 3.26Å
207V72.4Confident66.6Low146 Ų146144 Ų14489%0.88576%0.763SS**  trans-64.4103.5174.4-152.80000106.7L205 A209L205-V207 PolarHBondContact O-N 3.26Å; V207-A209 PolarHBondContact O-N 3.45Å; V207-A209 VanDerWaalsContact O-N 3.11Å
208I62.2Low66.4Low156 Ų156148.5 Ų148.580%0.879%0.787SS**  trans-75.799.9170.3-62.9170.7000104.8K206 K210K206-I208 PolarHBondContact O-N 3.26Å; I208-K210 PolarHBondContact O-N 2.81Å
209A64.1Low65.9Low83 Ų83151.8 Ų151.869%0.68680%0.799SS**PPolyproline II helixtrans-58130.4167.200000108.2V207 K211V207-A209 PolarHBondContact O-N 3.45Å; V207-A209 VanDerWaalsContact O-N 3.11Å; A209-K211 PolarHBondContact O-N 3.27Å; A209-K211 VanDerWaalsContact O-N 3.14Å
210K64.8Low65.5Low206 Ų206148.8 Ų148.890%0.89680%0.799SS**PPolyproline II helixtrans-49.5120.2176.6-169.2174.5-178.3176.40108.8I208 G212I208-K210 PolarHBondContact O-N 2.81Å; K210-G212 PolarHBondContact O-N 3.12Å
211K59.9Low65.3Low160 Ų160150.6 Ų150.670%0.69681%0.81SS**PPolyproline II helixtrans-57.7125179.7-153.9173.4-167.7179.20108.5A209 Y214A209-K211 PolarHBondContact O-N 3.27Å; A209-K211 VanDerWaalsContact O-N 3.14Å; K211-Y214 HydrophobicContact CD-CE2 4.35Å; K211-Y214 WeakPolarHBondContact CE-OH 3.2Å; K211-Y214 PolarHBondContact NZ-OH 3.24Å
212G54.2Low64.9Low56 Ų56144.9 Ų144.958%0.57780%0.804SS**PPolyproline II helixtrans-59.9156.2176.800000112K210 Y214K210-G212 PolarHBondContact O-N 3.12Å; G212-Y214 PolarHBondContact O-N 3.02Å
213T61.6Low64Low142 Ų142150.4 Ų150.487%0.87181%0.813SS**PPolyproline II helixtrans-51.5127.1177.948.80000111.7A215T213-A215 PolarHBondContact O-N 3.27Å
214Y55.4Low63Low183 Ų183147.6 Ų147.672%0.71881%0.808SS**  trans-72115.8163.4-63.6-85000108.2K211 G212K211-Y214 HydrophobicContact CD-CE2 4.35Å; K211-Y214 WeakPolarHBondContact CE-OH 3.2Å; K211-Y214 PolarHBondContact NZ-OH 3.24Å; G212-Y214 PolarHBondContact O-N 3.02Å
215A51.5Low62.2Low95 Ų95148.3 Ų148.379%0.78583%0.832SS**  trans-96.5121.8160.400000107.5T213T213-A215 PolarHBondContact O-N 3.27Å
216S50.7Low61.2Low196 Ų196147.3 Ų147.3100%1.37183%0.831SS**  trans-146.70158.2-69.30000107.1

Retrieved 216 of 216 residues in 130.5 ms (Link to these results)