A0A3B3TWQ5_9TELE Loading...

OTU domain-containing protein 3

Deubiquitinating enzyme that hydrolyzes 'Lys-6'- and 'Lys-11'-linked polyubiquitin. Also hydrolyzes heterotypic (mixed and branched) and homotypic chains. Important regulator of energy metabolism. Glucose and fatty acids trigger its nuclear translocation by CBP-dependent acetylation. In the nucleus, deubiquitinates and stabilizes the nuclear receptor PPARD regulating the expression of various genes involved in glucose and lipid metabolism and oxidative phosphorylation. Also acts as a negative regulator of the ribosome quality control (RQC) by mediating deubiquitination of 40S ribosomal proteins RPS10/eS10 and RPS20/uS10, thereby antagonizing ZNF598-mediated 40S ubiquitination.

AlphaFold DB , UniProt , Accession A0A3B3TWQ5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 358 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
1M36Very low44.6Very low249 Ų249176 Ų176100%1.22789%0.891SS**  0134.80-56.6-157.7170.700108
2S44.9Very low45.2Very low119 Ų119169.8 Ų169.883%0.83288%0.876SS**  cis-159.8122.3-14-170.10000103.9K4S2-K4 PolarHBondContact O-N 3.45Å
3R44.8Very low46.3Very low247 Ų247168.3 Ų168.393%0.93287%0.87SS**  trans-81.4114177.7-91.1-177.4177.3173.3-0.5108.6Q5R3-Q5 PolarHBondContact O-N 3.01Å
4K46Very low47.2Very low202 Ų202168.1 Ų168.188%0.87886%0.86SS**  trans-72.1109.6-180-154.5171.3-173.8176.50109.6S2S2-K4 PolarHBondContact O-N 3.45Å
5Q44.5Very low48.2Very low190 Ų190168.1 Ų168.189%0.88885%0.851SS**PPolyproline II helixtrans-81.9125.5168.7-65.7-177.47.600108.9R3R3-Q5 PolarHBondContact O-N 3.01Å
6T43.3Very low49.6Very low125 Ų125160.3 Ų160.377%0.76783%0.825SS**PPolyproline II helixtrans-101.6126.1170.945.20000109.5
7A47.9Very low50.6Low103 Ų103158.9 Ų158.985%0.85182%0.815SS**PPolyproline II helixtrans-66137.1-18000000111.7
8K44Very low51.8Low197 Ų197156.6 Ų156.686%0.85780%0.804SS**PPolyproline II helixtrans-82.2138.9172.1-70179.4177.6176.50110.1
9P41.3Very low52.9Low121 Ų121154.4 Ų154.479%0.78679%0.789SS**PPolyproline II helixtrans-75.9129.718029-31.9000111.9R11P9-R11 PolarHBondContact O-N 2.61Å
10V47.2Very low54.1Low148 Ų148156.2 Ų156.290%0.89779%0.786SS**  trans-66.4108.4173.41770000109.2
11R50.5Low55.4Low235 Ų235155.5 Ų155.589%0.88778%0.778SS**  trans-86132.4171-97.9179166.2178.2-3.5109.9P9P9-R11 PolarHBondContact O-N 2.61Å
12S52.1Low57.6Low101 Ų101152.8 Ų152.871%0.70675%0.754SS**  trans96.462.3148.674.60000121.7
13N59.6Low59.4Low151 Ų151151.5 Ų151.581%0.80774%0.737SS**  trans-90.3-0.4157.6-94.51.3000114.9K15 E17N13-K15 VanDerWaalsContact C-N 3.28Å; N13-K15 PolarHBondContact O-N 3.24Å; N13-E17 PolarHBondContact O-N 2.92Å
14K58.8Low60.8Low166 Ų166144.4 Ų144.472%0.72272%0.715SS**Hα-helixtrans-69.7-22.9-175.8-131.9167.8-174171.80113.9L18K14-L18 WeakPolarHBondContact O-CD1 3.31Å; K14-L18 VanDerWaalsContact O-CG 3.32Å; K14-L18 WeakPolarHBondContact O-CG 3.49Å; K14-L18 PolarHBondContact O-N 3.45Å
15K62.4Low62.6Low167 Ų167142 Ų14273%0.72670%0.701SS**Hα-helixtrans-77.6-44-177.7-168.8-179.5174.9-170.10111.7N13 L18 E19N13-K15 VanDerWaalsContact C-N 3.28Å; N13-K15 PolarHBondContact O-N 3.24Å; K15-L18 PolarHBondContact O-N 3.01Å; K15-E19 PolarHBondContact O-N 2.91Å; K15-E19 VanDerWaalsContact O-N 3.14Å
16G69.8Low64.3Low43 Ų43135.6 Ų135.644%0.44368%0.68SS.*Hα-helixtrans-67.7-34.3177.300000113.1E19 R20G16-E19 PolarHBondContact O-N 3.06Å; G16-R20 WeakPolarHBondContact O-CB 3.42Å; G16-R20 PolarHBondContact O-N 3.27Å
17E67Low65.8Low138 Ų138132 Ų13265%0.64566%0.663SS**Hα-helixtrans-67.9-37.9176.9-160.2-170.2161.700112.5N13 K21N13-E17 PolarHBondContact O-N 2.92Å; E17-K21 VanDerWaalsContact O-CB 3.32Å; E17-K21 WeakPolarHBondContact O-CB 3.35Å; E17-K21 PolarHBondContact O-N 3.48Å
18L72.1Confident67.3Low117 Ų117135 Ų13561%0.61365%0.652SS**Hα-helixtrans-69.1-34.9175.3-74.9171.3000112.5K14 K15 R22K14-L18 WeakPolarHBondContact O-CD1 3.31Å; K14-L18 VanDerWaalsContact O-CG 3.32Å; K14-L18 WeakPolarHBondContact O-CG 3.49Å; K14-L18 PolarHBondContact O-N 3.45Å; K15-L18 PolarHBondContact O-N 3.01Å; L18-R22 WeakPolarHBondContact O-CB 3.25Å; L18-R22 PolarHBondContact O-N 3.26Å
19E73.3Confident69.1Low114 Ų114133.9 Ų133.953%0.53364%0.643SS.*Hα-helixtrans-66.9-49.9174.6-168.6155.8-143.700110.5K15 G16 K21 R22 D23K15-E19 PolarHBondContact O-N 2.91Å; K15-E19 VanDerWaalsContact O-N 3.14Å; G16-E19 PolarHBondContact O-N 3.06Å; E19-K21 VanDerWaalsContact C-N 3.29Å; E19-K21 PolarHBondContact O-N 3.41Å; E19-R22 WeakPolarHBondContact O-CA 3.43Å; E19-R22 VanDerWaalsContact O-CB 3.3Å; E19-R22 WeakPolarHBondContact O-CB 3.49Å; E19-R22 PolarHBondContact O-N 3.06Å; E19-D23 PolarHBondContact O-N 3.47Å
20R75.9Confident70.7Confident191 Ų191131 Ų13172%0.72163%0.629SS**Hα-helixtrans-57.7-39.7174.7-149.517577.9141.44.9112.7G16 R22 D23 E24G16-R20 WeakPolarHBondContact O-CB 3.42Å; G16-R20 PolarHBondContact O-N 3.27Å; R20-R22 VanDerWaalsContact C-N 3.32Å; R20-R22 PolarHBondContact O-N 3.39Å; R20-D23 PolarHBondContact O-N 3.04Å; R20-E24 WeakPolarHBondContact O-CB 3.15Å; R20-E24 PolarHBondContact O-N 2.74Å
21K82.8Confident72Confident141 Ų141129.8 Ų129.861%0.61362%0.616SS**Hα-helixtrans-69.2-28.1175.9-166.4169.8-172.4168.80113E17 E19 R25E17-K21 VanDerWaalsContact O-CB 3.32Å; E17-K21 WeakPolarHBondContact O-CB 3.35Å; E17-K21 PolarHBondContact O-N 3.48Å; E19-K21 VanDerWaalsContact C-N 3.29Å; E19-K21 PolarHBondContact O-N 3.41Å; K21-R25 WeakPolarHBondContact O-CB 3.45Å; K21-R25 PolarHBondContact O-N 3.42Å
22R81.8Confident73.3Confident193 Ų193121.5 Ų121.573%0.72860%0.598SS**Hα-helixtrans-75.5-41.8174.6-176.9-178.2-178.2169.6-1.6110.8L18 E19 R20 R25 A26L18-R22 WeakPolarHBondContact O-CB 3.25Å; L18-R22 PolarHBondContact O-N 3.26Å; E19-R22 WeakPolarHBondContact O-CA 3.43Å; E19-R22 VanDerWaalsContact O-CB 3.3Å; E19-R22 WeakPolarHBondContact O-CB 3.49Å; E19-R22 PolarHBondContact O-N 3.06Å; R20-R22 VanDerWaalsContact C-N 3.32Å; R20-R22 PolarHBondContact O-N 3.39Å; R22-R25 PolarHBondContact O-N 3Å; R22-A26 WeakPolarHBondContact O-CB 3.5Å; R22-A26 PolarHBondContact O-N 2.97Å
23D81.6Confident74.5Confident91 Ų91123.4 Ų123.449%0.48759%0.594SS.*Hα-helixtrans-70-41.1179.8-63.3-20.5000111.1E19 R20 R25 A26 A27E19-D23 PolarHBondContact O-N 3.47Å; R20-D23 PolarHBondContact O-N 3.04Å; D23-R25 VanDerWaalsContact C-N 3.3Å; D23-R25 PolarHBondContact O-N 3.31Å; D23-A26 CarbonylContact O-C 3.56Å; D23-A26 WeakPolarHBondContact O-CA 3.39Å; D23-A26 WeakPolarHBondContact O-CB 3.43Å; D23-A26 PolarHBondContact O-N 3.46Å; D23-A27 WeakPolarHBondContact O-CB 3.39Å; D23-A27 PolarHBondContact O-N 3.5Å
24E74.8Confident75.2Confident99 Ų99121.9 Ų121.946%0.46359%0.586SS.*Hα-helixtrans-57.1-43.4169.6173.2118.9-156.100111.6R20 A26 A27 R28R20-E24 WeakPolarHBondContact O-CB 3.15Å; R20-E24 PolarHBondContact O-N 2.74Å; E24-A26 VanDerWaalsContact C-N 3.31Å; E24-A26 PolarHBondContact O-N 3.24Å; E24-A27 PolarHBondContact O-N 2.77Å; E24-R28 WeakPolarHBondContact O-CB 3.4Å; E24-R28 VanDerWaalsContact O-CG 3.3Å; E24-R28 WeakPolarHBondContact O-CG 3.35Å; E24-R28 PolarHBondContact O-N 3.08Å; E24-R28 IonicContact OE1-CZ 3.88Å; E24-R28 IonicContact OE1-NE 3.5Å; E24-R28 PolarHBondContact OE1-NE 2.81Å; E24-R28 VanDerWaalsContact OE1-NE 3.09Å; E24-R28 IonicContact OE1-NH2 3.83Å; E24-R28 PolarHBondContact OE1-NH2 2.93Å
25R84.3Confident75.9Confident152 Ų152123.7 Ų123.757%0.57459%0.588SS**Hα-helixtrans-68.2-31.9176.6-174.8-179.9-78169-6.6111.8K21 R22 D23 R29K21-R25 WeakPolarHBondContact O-CB 3.45Å; K21-R25 PolarHBondContact O-N 3.42Å; R22-R25 PolarHBondContact O-N 3Å; D23-R25 VanDerWaalsContact C-N 3.3Å; D23-R25 PolarHBondContact O-N 3.31Å; R25-R29 WeakPolarHBondContact O-CB 3.42Å; R25-R29 WeakPolarHBondContact O-CD 3.3Å; R25-R29 VanDerWaalsContact O-CG 3.23Å; R25-R29 WeakPolarHBondContact O-CG 3.41Å; R25-R29 PolarHBondContact O-N 2.92Å
26A79.4Confident76.3Confident55 Ų55124.3 Ų124.346%0.45559%0.591SS.*Hα-helixtrans-71.6-44.5175.600000111.3R22 D23 E24 R29 A30R22-A26 WeakPolarHBondContact O-CB 3.5Å; R22-A26 PolarHBondContact O-N 2.97Å; D23-A26 CarbonylContact O-C 3.56Å; D23-A26 WeakPolarHBondContact O-CA 3.39Å; D23-A26 WeakPolarHBondContact O-CB 3.43Å; D23-A26 PolarHBondContact O-N 3.46Å; E24-A26 VanDerWaalsContact C-N 3.31Å; E24-A26 PolarHBondContact O-N 3.24Å; A26-R29 CarbonylContact O-C 3.6Å; A26-R29 PolarHBondContact O-N 3.01Å; A26-R29 VanDerWaalsContact O-N 3.17Å; A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 3.32Å
27A76.4Confident76.3Confident50 Ų50127.6 Ų127.641%0.41360%0.598SS.*Hα-helixtrans-60.1-47.4175.300000111.5D23 E24 R29 A30 I31D23-A27 WeakPolarHBondContact O-CB 3.39Å; D23-A27 PolarHBondContact O-N 3.5Å; E24-A27 PolarHBondContact O-N 2.77Å; A27-R29 VanDerWaalsContact C-N 3.27Å; A27-R29 PolarHBondContact O-N 3.4Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 2.88Å; A27-A30 VanDerWaalsContact O-N 3.11Å; A27-I31 VanDerWaalsContact O-CG1 3.32Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 2.93Å
28R77.4Confident76.4Confident164 Ų164128.3 Ų128.362%0.61960%0.595SS**Hα-helixtrans-59.7-36.4175-72.3175.2-176.6-112.81.1112.9E24 A32E24-R28 WeakPolarHBondContact O-CB 3.4Å; E24-R28 VanDerWaalsContact O-CG 3.3Å; E24-R28 WeakPolarHBondContact O-CG 3.35Å; E24-R28 PolarHBondContact O-N 3.08Å; E24-R28 IonicContact OE1-CZ 3.88Å; E24-R28 IonicContact OE1-NE 3.5Å; E24-R28 PolarHBondContact OE1-NE 2.81Å; E24-R28 VanDerWaalsContact OE1-NE 3.09Å; E24-R28 IonicContact OE1-NH2 3.83Å; E24-R28 PolarHBondContact OE1-NH2 2.93Å; R28-A32 VanDerWaalsContact O-CB 3.29Å; R28-A32 WeakPolarHBondContact O-CB 3.29Å; R28-A32 PolarHBondContact O-N 3.31Å
29R83.1Confident75.5Confident175 Ų175127.4 Ų127.466%0.6660%0.596SS**Hα-helixtrans-73.9-34176.1-75.8174.1179.2-160.8-1.2112.4R25 A26 A27 K33R25-R29 WeakPolarHBondContact O-CB 3.42Å; R25-R29 WeakPolarHBondContact O-CD 3.3Å; R25-R29 VanDerWaalsContact O-CG 3.23Å; R25-R29 WeakPolarHBondContact O-CG 3.41Å; R25-R29 PolarHBondContact O-N 2.92Å; A26-R29 CarbonylContact O-C 3.6Å; A26-R29 PolarHBondContact O-N 3.01Å; A26-R29 VanDerWaalsContact O-N 3.17Å; A27-R29 VanDerWaalsContact C-N 3.27Å; A27-R29 PolarHBondContact O-N 3.4Å; R29-K33 VanDerWaalsContact O-CB 3.27Å; R29-K33 WeakPolarHBondContact O-CB 3.43Å; R29-K33 PolarHBondContact O-N 3.42Å
30A75.1Confident74.4Confident61 Ų61130.5 Ų130.550%0.50461%0.61SS.*Hα-helixtrans-65.1-49.1174.100000110.3A26 A27 A32 K33 D34A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 3.32Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 2.88Å; A27-A30 VanDerWaalsContact O-N 3.11Å; A30-A32 PolarHBondContact O-N 3.18Å; A30-K33 PolarHBondContact O-N 3.42Å; A30-K33 VanDerWaalsContact O-N 3.16Å; A30-D34 WeakPolarHBondContact O-CB 3.44Å; A30-D34 PolarHBondContact O-N 3.5Å
31I73.8Confident73Confident121 Ų121128 Ų12862%0.62161%0.612SS**Hα-helixtrans-59.8-44.5176-63.8163.8000111.3A27 K33 D34 R35A27-I31 VanDerWaalsContact O-CG1 3.32Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 2.93Å; I31-K33 VanDerWaalsContact C-N 3.31Å; I31-K33 PolarHBondContact O-N 2.77Å; I31-D34 PolarHBondContact O-N 3.1Å; I31-R35 WeakPolarHBondContact O-CB 3.16Å; I31-R35 PolarHBondContact O-N 3.47Å
32A77.2Confident71.2Confident62 Ų62128.7 Ų128.751%0.51262%0.622SS.*Hα-helixtrans-66-32.6178.200000113.1R28 A30 K36R28-A32 VanDerWaalsContact O-CB 3.29Å; R28-A32 WeakPolarHBondContact O-CB 3.29Å; R28-A32 PolarHBondContact O-N 3.31Å; A30-A32 PolarHBondContact O-N 3.18Å; A32-K36 WeakPolarHBondContact O-CB 3.43Å; A32-K36 PolarHBondContact O-N 2.98Å
33K78.5Confident69.7Low140 Ų140126.4 Ų126.461%0.60962%0.624SS**Hα-helixtrans-76.6-38.5177.4-168-176.6178.4-166.80111.3R29 A30 I31 K36 N37R29-K33 VanDerWaalsContact O-CB 3.27Å; R29-K33 WeakPolarHBondContact O-CB 3.43Å; R29-K33 PolarHBondContact O-N 3.42Å; A30-K33 PolarHBondContact O-N 3.42Å; A30-K33 VanDerWaalsContact O-N 3.16Å; I31-K33 VanDerWaalsContact C-N 3.31Å; I31-K33 PolarHBondContact O-N 2.77Å; K33-K36 PolarHBondContact O-N 3.45Å; K33-N37 WeakPolarHBondContact O-CB 3.36Å; K33-N37 PolarHBondContact O-N 3.36Å
34D73.2Confident68.2Low120 Ų120131.6 Ų131.664%0.64265%0.645SS**Hα-helixtrans-61.4-47.6174.8-167.967.7000111A30 I31 K36 N37 R38A30-D34 WeakPolarHBondContact O-CB 3.44Å; A30-D34 PolarHBondContact O-N 3.5Å; I31-D34 PolarHBondContact O-N 3.1Å; D34-K36 PolarHBondContact O-N 3.05Å; D34-N37 PolarHBondContact O-N 2.93Å; D34-R38 PolarHBondContact O-N 3.44Å
35R74.3Confident67.3Low204 Ų204129.3 Ų129.377%0.7765%0.649SS**Hα-helixtrans-59.2-31174.2-168.8176.8169.6-153.3-2.4113.7I31I31-R35 WeakPolarHBondContact O-CB 3.16Å; I31-R35 PolarHBondContact O-N 3.47Å
36K70.9Confident66.3Low179 Ų179126.5 Ų126.578%0.77866%0.658SS**Hα-helixtrans-84.1-23.3178.4-170.2168.1-177.4175.50113.1A32 K33 D34A32-K36 WeakPolarHBondContact O-CB 3.43Å; A32-K36 PolarHBondContact O-N 2.98Å; K33-K36 PolarHBondContact O-N 3.45Å; D34-K36 PolarHBondContact O-N 3.05Å
37N69.3Low66.6Low112 Ų112130.7 Ų130.760%0.59967%0.668SS**Hα-helixtrans-97.7-7.5-178.7-77.66000113.1K33 D34K33-N37 WeakPolarHBondContact O-CB 3.36Å; K33-N37 PolarHBondContact O-N 3.36Å; D34-N37 PolarHBondContact O-N 2.93Å
38R70.2Confident67.2Low154 Ų154132.6 Ų132.658%0.58167%0.665SS**SBendtrans-61.4123.3171.4-170.6172.6-179.8-177.3-2108.7D34 Q40D34-R38 PolarHBondContact O-N 3.44Å; R38-Q40 PolarHBondContact O-N 3.38Å
39P51.7Low67.8Low97 Ų97131.2 Ų131.263%0.6368%0.675SS**  trans-56.3130.3173.821.8-29.8000108.7D41P39-D41 VanDerWaalsContact C-N 3.3Å; P39-D41 PolarHBondContact O-N 2.88Å
40Q50.9Low68.3Low179 Ų179124.7 Ų124.784%0.83666%0.656SS**  trans-7293.5166.7-79.7-177-45.500106.5R38 N42R38-Q40 PolarHBondContact O-N 3.38Å; Q40-N42 PolarHBondContact O-N 3.26Å; Q40-N42 VanDerWaalsContact O-N 3.15Å
41D46.6Very low69.2Low140 Ų140122.8 Ų122.875%0.74964%0.636SS**  trans-61.9114.9157.2-72.2-31.3000105.9P39 D43P39-D41 VanDerWaalsContact C-N 3.3Å; P39-D41 PolarHBondContact O-N 2.88Å; D41-D43 PolarHBondContact O-N 2.82Å
42N44Very low70.1Confident155 Ų155120.6 Ų120.683%0.82963%0.632SS**  trans-6961.8171.6-83.7-17.1000109.8Q40Q40-N42 PolarHBondContact O-N 3.26Å; Q40-N42 VanDerWaalsContact O-N 3.15Å
43D50.5Low71Confident144 Ų144121.1 Ų121.177%0.7763%0.626SS**  trans-88.7105.3155.3-169.533.5000106.1D41 G45D41-D43 PolarHBondContact O-N 2.82Å; D43-G45 PolarHBondContact O-N 3.06Å
44E50.6Low71.7Confident200 Ų200115.3 Ų115.394%0.93560%0.601SS**  trans-67.958.9172-77.9-169.1117.400110.6
45G56.8Low72.8Confident52 Ų52109.6 Ų109.654%0.53657%0.57SS.*  trans-90.3111.8159.800000107.6D43 E47D43-G45 PolarHBondContact O-N 3.06Å; G45-E47 PolarHBondContact O-N 3.05Å
46A63.4Low73.7Confident92 Ų92105.9 Ų105.976%0.7656%0.561SS**PPolyproline II helixtrans-48.8118.7171.900000109.4Y48A46-Y48 PolarHBondContact O-N 3.16Å
47E85.4Confident74.8Confident144 Ų14499.3 Ų99.367%0.67354%0.541SS*.PPolyproline II helixtrans-54.1125.3177.1-173.2177.2-17400108.6G45 V49 N151G45-E47 PolarHBondContact O-N 3.05Å; E47-V49 PolarHBondContact O-N 2.8Å; E47-N151 HydrophobicContact CG-CB 4.01Å; E47-N151 WeakPolarHBondContact CG-ND2 3.49Å; E47-N151 PolarHBondContact OE1-ND2 3.27Å; E47-N151 VanDerWaalsContact OE1-ND2 3.08Å
48Y87.3Confident75.9Confident89 Ų8996.1 Ų96.135%0.34952%0.524SS..PPolyproline II helixtrans-67.7130.5-178.8-70.2-83.7000109.4A46 S50 N53 Q54 A57 N151A46-Y48 PolarHBondContact O-N 3.16Å; Y48-S50 VanDerWaalsContact C-N 3.25Å; Y48-S50 PolarHBondContact O-N 3.27Å; Y48-N53 HydrophobicContact CD1-CB 4.26Å; Y48-Q54 VanDerWaalsContact CD1-CA 3.49Å; Y48-Q54 HydrophobicContact CD1-CB 4Å; Y48-Q54 HydrophobicContact CD2-CB 3.68Å; Y48-Q54 HydrophobicContact CD2-CG 3.65Å; Y48-Q54 HydrophobicContact CE1-CB 4.42Å; Y48-Q54 HydrophobicContact CE2-CB 4.14Å; Y48-Q54 HydrophobicContact CE2-CG 3.81Å; Y48-Q54 HydrophobicContact CG-CB 3.6Å; Y48-Q54 HydrophobicContact CG-CG 4.14Å; Y48-A57 HydrophobicContact CE1-CB 3.83Å; Y48-N151 WeakPolarHBondContact CB-OD1 3.45Å; Y48-N151 PolarHBondContact N-OD1 3.39Å; Y48-N151 PolarHBondContact O-ND2 3Å
49V90.2Very high77Confident136 Ų13690.5 Ų90.582%0.82451%0.513SS*.SBendtrans-67.1-29.1178.7-177.10000111.7E47E47-V49 PolarHBondContact O-N 2.8Å
50S93.4Very high79.1Confident38 Ų3886 Ų8627%0.26648%0.484SS..SBendtrans-144.4153.5178.287.80000111.3Y48 S52 N53 Q54Y48-S50 VanDerWaalsContact C-N 3.25Å; Y48-S50 PolarHBondContact O-N 3.27Å; S50-S52 VanDerWaalsContact C-N 3.28Å; S50-S52 PolarHBondContact O-N 3.35Å; S50-N53 WeakPolarHBondContact O-CB 3.34Å; S50-N53 PolarHBondContact O-N 3.02Å; S50-N53 VanDerWaalsContact O-N 3.16Å; S50-N53 PolarHBondContact OG-N 2.97Å; S50-N53 VanDerWaalsContact OG-N 3.09Å; S50-N53 PolarHBondContact OG-OD1 2.92Å; S50-Q54 PolarHBondContact O-N 3.04Å; S50-Q54 VanDerWaalsContact O-N 3.15Å
51F94.4Very high81.3Confident21 Ų2179.8 Ų79.89%0.09245%0.454CS..Hα-helixtrans-68-30.3177.6-168.4-140.9000112.9N53 Q54 L55 L62 H148 L150 A171 R173F51-N53 VanDerWaalsContact C-N 3.33Å; F51-N53 PolarHBondContact O-N 3.11Å; F51-Q54 HydrophobicContact CD2-CB 4.36Å; F51-Q54 PolarHBondContact O-N 3.12Å; F51-L55 HydrophobicContact CD1-CD1 4.29Å; F51-L55 HydrophobicContact CD2-CG 4.38Å; F51-L55 HydrophobicContact CE1-CD1 4.02Å; F51-L55 HydrophobicContact CE2-CD1 4.3Å; F51-L55 HydrophobicContact CE2-CD2 4.29Å; F51-L55 HydrophobicContact CE2-CG 4.12Å; F51-L55 HydrophobicContact CZ-CD1 4.02Å; F51-L55 HydrophobicContact CZ-CD2 4.38Å; F51-L55 HydrophobicContact CZ-CG 4.29Å; F51-L55 WeakPolarHBondContact O-CG 3.42Å; F51-L55 PolarHBondContact O-N 3.41Å; F51-L62 HydrophobicContact CD1-CD1 3.93Å; F51-L62 HydrophobicContact CD1-CD2 4.41Å; F51-L62 HydrophobicContact CE1-CD1 4.23Å; F51-L62 HydrophobicContact CE1-CD2 3.9Å; F51-L62 HydrophobicContact CE1-CG 4.49Å; F51-H148 HydrophobicContact CE2-CB 4.02Å; F51-H148 HydrophobicContact CZ-CB 3.72Å; F51-L150 HydrophobicContact CB-CB 4.12Å; F51-L150 HydrophobicContact CB-CD1 4.22Å; F51-L150 HydrophobicContact CB-CD2 4.46Å; F51-L150 HydrophobicContact CD2-CB 3.91Å; F51-L150 HydrophobicContact CD2-CD1 4.49Å; F51-L150 HydrophobicContact CG-CB 4.2Å; F51-A171 HydrophobicContact CE1-CB 3.54Å; F51-A171 HydrophobicContact CZ-CB 3.74Å; F51-R173 HydrophobicContact CD1-CG 4.31Å; F51-R173 HydrophobicContact CE1-CG 4.12Å
52S93.9Very high83.7Confident75 Ų7575 Ų7552%0.52443%0.428SS..Hα-helixtrans-60.1-43.5170.7-172.70000111.2S50 L55 Q56S50-S52 VanDerWaalsContact C-N 3.28Å; S50-S52 PolarHBondContact O-N 3.35Å; S52-L55 PolarHBondContact O-N 3.01Å; S52-Q56 WeakPolarHBondContact O-CB 3.43Å; S52-Q56 PolarHBondContact O-N 3.27Å
53N94.4Very high86.2Confident73 Ų7369.9 Ų69.939%0.3940%0.397SS..Hα-helixtrans-65.6-40.8178.7-63.95000111.3Y48 S50 F51 Q56 A57Y48-N53 HydrophobicContact CD1-CB 4.26Å; S50-N53 WeakPolarHBondContact O-CB 3.34Å; S50-N53 PolarHBondContact O-N 3.02Å; S50-N53 VanDerWaalsContact O-N 3.16Å; S50-N53 PolarHBondContact OG-N 2.97Å; S50-N53 VanDerWaalsContact OG-N 3.09Å; S50-N53 PolarHBondContact OG-OD1 2.92Å; F51-N53 VanDerWaalsContact C-N 3.33Å; F51-N53 PolarHBondContact O-N 3.11Å; N53-Q56 PolarHBondContact O-N 3.24Å; N53-A57 WeakPolarHBondContact O-CB 3.4Å; N53-A57 PolarHBondContact O-N 2.69Å
54Q95Very high88.4Confident18 Ų1869.4 Ų69.48%0.08439%0.39CS..Hα-helixtrans-59.2-48.8176-179.3176.1-43.400111.7Y48 S50 F51 Q149Y48-Q54 VanDerWaalsContact CD1-CA 3.49Å; Y48-Q54 HydrophobicContact CD1-CB 4Å; Y48-Q54 HydrophobicContact CD2-CB 3.68Å; Y48-Q54 HydrophobicContact CD2-CG 3.65Å; Y48-Q54 HydrophobicContact CE1-CB 4.42Å; Y48-Q54 HydrophobicContact CE2-CB 4.14Å; Y48-Q54 HydrophobicContact CE2-CG 3.81Å; Y48-Q54 HydrophobicContact CG-CB 3.6Å; Y48-Q54 HydrophobicContact CG-CG 4.14Å; S50-Q54 PolarHBondContact O-N 3.04Å; S50-Q54 VanDerWaalsContact O-N 3.15Å; F51-Q54 HydrophobicContact CD2-CB 4.36Å; F51-Q54 PolarHBondContact O-N 3.12Å; Q54-Q149 PolarHBondContact NE2-O 3.33Å
55L95.2Very high90.6Very high0 Ų060.7 Ų60.70%035%0.351CS..Hα-helixtrans-68.4-40.1178.8-68.2174.7000111.5F51 S52 A57 L58 G59 L60 L62 H148 V181F51-L55 HydrophobicContact CD1-CD1 4.29Å; F51-L55 HydrophobicContact CD2-CG 4.38Å; F51-L55 HydrophobicContact CE1-CD1 4.02Å; F51-L55 HydrophobicContact CE2-CD1 4.3Å; F51-L55 HydrophobicContact CE2-CD2 4.29Å; F51-L55 HydrophobicContact CE2-CG 4.12Å; F51-L55 HydrophobicContact CZ-CD1 4.02Å; F51-L55 HydrophobicContact CZ-CD2 4.38Å; F51-L55 HydrophobicContact CZ-CG 4.29Å; F51-L55 WeakPolarHBondContact O-CG 3.42Å; F51-L55 PolarHBondContact O-N 3.41Å; S52-L55 PolarHBondContact O-N 3.01Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 2.86Å; L55-L58 CarbonylContact O-C 3.16Å; L55-L58 WeakPolarHBondContact O-CA 3.5Å; L55-L58 WeakPolarHBondContact O-CB 3.32Å; L55-L58 PolarHBondContact O-N 3.29Å; L55-G59 PolarHBondContact O-N 2.92Å; L55-L60 CarbonylContact C-O 3.36Å; L55-L60 HydrophobicContact CB-CB 4.08Å; L55-L60 HydrophobicContact CD2-CB 4.27Å; L55-L60 HydrophobicContact CD2-CD1 4.36Å; L55-L60 CarbonylContact O-C 3.57Å; L55-L60 WeakPolarHBondContact O-CA 3.23Å; L55-L60 WeakPolarHBondContact O-CB 3.48Å; L55-L60 PolarHBondContact O-N 2.98Å; L55-L60 VanDerWaalsContact O-O 3.13Å; L55-L62 HydrophobicContact CD1-CD1 4.37Å; L55-L62 HydrophobicContact CD1-CD2 3.61Å; L55-L62 HydrophobicContact CD1-CG 3.55Å; L55-H148 HydrophobicContact CD2-CB 4.1Å; L55-V181 HydrophobicContact CD1-CG2 4.47Å; L55-V181 HydrophobicContact CD2-CG1 3.94Å; L55-V181 HydrophobicContact CD2-CG2 4.46Å
56Q94.3Very high92.5Very high125 Ų12561.7 Ų61.758%0.58435%0.348SS*.Hα-helixtrans-63.4-36.5179.5-172.617528.500112.2S52 N53 L58 G59 L60S52-Q56 WeakPolarHBondContact O-CB 3.43Å; S52-Q56 PolarHBondContact O-N 3.27Å; N53-Q56 PolarHBondContact O-N 3.24Å; Q56-L58 PolarHBondContact O-N 2.99Å; Q56-G59 PolarHBondContact O-N 3.47Å; Q56-L60 WeakPolarHBondContact CA-O 3.49Å; Q56-L60 PolarHBondContact N-O 2.87Å
57A92.6Very high93.9Very high42 Ų4260.5 Ų60.535%0.34734%0.344SS..Hα-helixtrans-58.1-33.4173.300000111.7Y48 N53 L55 G59 H203Y48-A57 HydrophobicContact CE1-CB 3.83Å; N53-A57 WeakPolarHBondContact O-CB 3.4Å; N53-A57 PolarHBondContact O-N 2.69Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 2.86Å; A57-G59 VanDerWaalsContact C-N 3.31Å; A57-H203 PolarHBondContact O-CE1 2.99Å; A57-H203 PolarHBondContact O-NE2 3.37Å; A57-H203 VanDerWaalsContact O-NE2 3.16Å
58L92.1Very high94.4Very high45 Ų4555.9 Ų55.924%0.23633%0.325CS..THydrogen-bonded Turntrans-85.55175.5-59.6167.8000113.4L55 Q56 L60 L199 H203L55-L58 CarbonylContact O-C 3.16Å; L55-L58 WeakPolarHBondContact O-CA 3.5Å; L55-L58 WeakPolarHBondContact O-CB 3.32Å; L55-L58 PolarHBondContact O-N 3.29Å; Q56-L58 PolarHBondContact O-N 2.99Å; L58-L60 HydrophobicContact CB-CD1 3.93Å; L58-L60 HydrophobicContact CB-CG 3.9Å; L58-L60 HydrophobicContact CD1-CD1 4.26Å; L58-L60 PolarHBondContact O-N 3.48Å; L58-L199 WeakPolarHBondContact O-CD2 3.32Å; L58-H203 WeakPolarHBondContact CD2-NE2 3.45Å
59G94.4Very high94.8Very high35 Ų3552 Ų5236%0.36131%0.311SS..THydrogen-bonded Turntrans6724.4-172.600000113.5L55 Q56 A57 V184L55-G59 PolarHBondContact O-N 2.92Å; Q56-G59 PolarHBondContact O-N 3.47Å; A57-G59 VanDerWaalsContact C-N 3.31Å; G59-V184 WeakPolarHBondContact O-CG2 3.36Å; G59-V184 PolarHBondContact O-N 3.29Å
60L96.4Very high95.2Very high2 Ų245.8 Ų45.81%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-112.1162.9-179.6-54178000111.7L55 Q56 L58 V181 R182 V184 L194 L199L55-L60 CarbonylContact C-O 3.36Å; L55-L60 HydrophobicContact CB-CB 4.08Å; L55-L60 HydrophobicContact CD2-CB 4.27Å; L55-L60 HydrophobicContact CD2-CD1 4.36Å; L55-L60 CarbonylContact O-C 3.57Å; L55-L60 WeakPolarHBondContact O-CA 3.23Å; L55-L60 WeakPolarHBondContact O-CB 3.48Å; L55-L60 PolarHBondContact O-N 2.98Å; L55-L60 VanDerWaalsContact O-O 3.13Å; Q56-L60 WeakPolarHBondContact CA-O 3.49Å; Q56-L60 PolarHBondContact N-O 2.87Å; L58-L60 HydrophobicContact CB-CD1 3.93Å; L58-L60 HydrophobicContact CB-CG 3.9Å; L58-L60 HydrophobicContact CD1-CD1 4.26Å; L58-L60 PolarHBondContact O-N 3.48Å; L60-V181 HydrophobicContact CB-CG1 3.88Å; L60-V181 HydrophobicContact CD1-CG1 3.8Å; L60-V181 HydrophobicContact CG-CG1 4.3Å; L60-R182 CarbonylContact C-O 3.54Å; L60-R182 WeakPolarHBondContact CA-O 3.45Å; L60-V184 WeakPolarHBondContact O-CG2 3.03Å; L60-L194 HydrophobicContact CD2-CD1 4.25Å; L60-L194 HydrophobicContact CD2-CD2 3.55Å; L60-L199 HydrophobicContact CD1-CD1 4.08Å; L60-L199 HydrophobicContact CD2-CD1 4.06Å; L60-L199 HydrophobicContact CG-CD1 4.3Å
61K95.9Very high95.5Very high49 Ų4944.1 Ų44.121%0.21326%0.262CS..EExtended strand (participates in β ladder)trans-144.2158.2173.264.9174.2-177.8-179.50110.5V181 R182 R183 V184 D186 N187K61-V181 WeakPolarHBondContact O-CA 3.43Å; K61-R182 PolarHBondContact N-O 3.39Å; K61-R182 PolarHBondContact O-N 2.88Å; K61-R183 WeakPolarHBondContact CE-O 3.45Å; K61-V184 HydrophobicContact CB-CG2 4.32Å; K61-D186 WeakPolarHBondContact CE-O 3.39Å; K61-D186 PolarHBondContact NZ-O 3.15Å; K61-N187 PolarHBondContact NZ-OD1 3Å
62L96.9Very high95.6Very high40 Ų4043.3 Ų43.321%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-75.1141.6167.2-67.9170.9000110.6F51 L55 A171 D179 V181F51-L62 HydrophobicContact CD1-CD1 3.93Å; F51-L62 HydrophobicContact CD1-CD2 4.41Å; F51-L62 HydrophobicContact CE1-CD1 4.23Å; F51-L62 HydrophobicContact CE1-CD2 3.9Å; F51-L62 HydrophobicContact CE1-CG 4.49Å; L55-L62 HydrophobicContact CD1-CD1 4.37Å; L55-L62 HydrophobicContact CD1-CD2 3.61Å; L55-L62 HydrophobicContact CD1-CG 3.55Å; L62-A171 HydrophobicContact CD2-CB 3.42Å; L62-A171 VanDerWaalsContact CD2-CB 3.42Å; L62-D179 HydrophobicContact CD2-CB 3.97Å; L62-V181 HydrophobicContact CD2-CG2 4.15Å
63R97.2Very high95.9Very high47 Ų4739.7 Ų39.718%0.17723%0.233CC..EExtended strand (participates in β ladder)trans-114.7103.3157.8179.9-178.5-71.7-1700.1106.6D78 G82 S180 R182 D186 N187 S188R63-D78 WeakPolarHBondContact CD-OD1 3.42Å; R63-D78 IonicContact CZ-OD1 3.09Å; R63-D78 IonicContact NE-OD1 3.95Å; R63-D78 IonicContact NH1-OD1 2.78Å; R63-D78 PolarHBondContact NH1-OD1 3.34Å; R63-D78 IonicContact NH1-OD2 3.58Å; R63-G82 PolarHBondContact NH1-O 3.5Å; R63-S180 PolarHBondContact N-O 2.95Å; R63-S180 PolarHBondContact O-N 3.43Å; R63-R182 VanDerWaalsContact CZ-CZ 3.47Å; R63-R182 VanDerWaalsContact NH1-NH2 3.17Å; R63-D186 PolarHBondContact NH2-O 3.04Å; R63-N187 VanDerWaalsContact NH2-C 3.29Å; R63-S188 PolarHBondContact NH1-O 3.38Å; R63-S188 PolarHBondContact NH2-O 3.33Å
64E96.9Very high96.1Very high134 Ų13438.2 Ų38.263%0.62622%0.222SC*.  trans-67.9140.5-175-59.3-167.6148.800111.1R173 D179E64-R173 IonicContact OE1-CZ 2.84Å; E64-R173 IonicContact OE1-NH1 2.83Å; E64-R173 PolarHBondContact OE1-NH1 3.48Å; E64-R173 IonicContact OE1-NH2 3.7Å; E64-D179 VanDerWaalsContact CA-OD1 3.28Å; E64-D179 WeakPolarHBondContact CA-OD1 3.4Å
65V97.1Very high96.2Very high18 Ų1837.3 Ų37.311%0.10922%0.218CC..  trans-113.7160.2171.9-58.40000109.6G67 C71 R74 H177 Y178 D179V65-G67 PolarHBondContact O-N 2.65Å; V65-C71 HydrophobicContact CG2-CB 4.01Å; V65-R74 HydrophobicContact CB-CB 3.98Å; V65-R74 HydrophobicContact CG1-CB 4.06Å; V65-R74 HydrophobicContact CG2-CB 4.2Å; V65-H177 PolarHBondContact O-CE1 3.49Å; V65-Y178 WeakPolarHBondContact CG2-O 3.47Å; V65-D179 PolarHBondContact N-OD1 3.34Å
66P96.5Very high96.4Very high72 Ų7237.3 Ų37.347%0.46822%0.218SC..  trans-49.9132.2173-2934.7000112.4D68P66-D68 PolarHBondContact O-N 2.88Å
67G93.1Very high96.6Very high67 Ų6731.4 Ų31.469%0.69119%0.19SC*.SBendtrans-7750.1176.100000113.5V65V65-G67 PolarHBondContact O-N 2.65Å
68D95.6Very high96.9Very high48 Ų4829.8 Ų29.826%0.25718%0.176SC..SBendtrans-101171.5171.166.64.2000110P66 N70 C71 R74P66-D68 PolarHBondContact O-N 2.88Å; D68-N70 PolarHBondContact O-N 3.33Å; D68-N70 WeakPolarHBondContact OD1-CA 3.14Å; D68-N70 VanDerWaalsContact OD1-CB 3.26Å; D68-N70 WeakPolarHBondContact OD1-CB 3.4Å; D68-N70 PolarHBondContact OD1-N 3.46Å; D68-N70 PolarHBondContact OD2-ND2 2.86Å; D68-C71 WeakPolarHBondContact O-CB 3.33Å; D68-C71 PolarHBondContact O-N 2.93Å; D68-C71 PolarHBondContact O-SG 2.73Å; D68-C71 PolarHBondContact OD1-N 3.19Å; D68-R74 IonicContact OD1-NE 3.8Å; D68-R74 PolarHBondContact OD1-NE 3.28Å; D68-R74 IonicContact OD2-CZ 2.85Å; D68-R74 IonicContact OD2-NE 3.71Å; D68-R74 PolarHBondContact OD2-NE 3.09Å; D68-R74 IonicContact OD2-NH2 3.85Å; D68-R74 PolarHBondContact OD2-NH2 2.94Å; D68-R74 VanDerWaalsContact OD2-NH2 3.07Å
69G96.3Very high97.2Very high6 Ų627.7 Ų27.76%0.06217%0.165CC..THydrogen-bonded Turntrans-68.59.7174.700000114.2R91 G126 T127G69-R91 PolarHBondContact O-NH2 2.91Å; G69-G126 VanDerWaalsContact CA-O 3.31Å; G69-G126 WeakPolarHBondContact CA-O 3.26Å; G69-T127 CarbonylContact O-C 3.58Å
70N98.1Very high97.3Very high7 Ų727.1 Ų27.14%0.03715%0.154CC..THydrogen-bonded Turntrans-98.9-3.1168.9-58-61.3000112.9D68 L72 F73 R74 R91 S125 G126D68-N70 PolarHBondContact O-N 3.33Å; D68-N70 WeakPolarHBondContact OD1-CA 3.14Å; D68-N70 VanDerWaalsContact OD1-CB 3.26Å; D68-N70 WeakPolarHBondContact OD1-CB 3.4Å; D68-N70 PolarHBondContact OD1-N 3.46Å; D68-N70 PolarHBondContact OD2-ND2 2.86Å; N70-L72 VanDerWaalsContact C-N 3.27Å; N70-L72 PolarHBondContact O-N 2.81Å; N70-L72 VanDerWaalsContact O-N 3.14Å; N70-F73 PolarHBondContact O-N 3.44Å; N70-F73 VanDerWaalsContact O-N 3.08Å; N70-R74 HydrophobicContact CB-CG 4.22Å; N70-R74 WeakPolarHBondContact O-CG 3.38Å; N70-R74 PolarHBondContact O-N 3.43Å; N70-R91 PolarHBondContact OD1-NH2 2.83Å; N70-S125 PolarHBondContact ND2-OG 2.82Å; N70-G126 PolarHBondContact OD1-N 3.38Å
71C98.1Very high97.4Very high3 Ų328.8 Ų28.82%0.0216%0.161CC..Hα-helixtrans-47.2-45.2-174.357.30000113.5V65 D68 F73 R74 A75V65-C71 HydrophobicContact CG2-CB 4.01Å; D68-C71 WeakPolarHBondContact O-CB 3.33Å; D68-C71 PolarHBondContact O-N 2.93Å; D68-C71 PolarHBondContact O-SG 2.73Å; D68-C71 PolarHBondContact OD1-N 3.19Å; C71-F73 PolarHBondContact O-N 2.91Å; C71-R74 PolarHBondContact O-N 2.88Å; C71-A75 WeakPolarHBondContact O-CB 3.29Å; C71-A75 PolarHBondContact O-N 3.33Å
72L98.5Very high97.5Very high3 Ų326.5 Ų26.52%0.01615%0.151CC..Hα-helixtrans-56.8-55.3178.1179.163.4000112.2N70 R74 A75 L76 A129 A133 I134 I170 Y178N70-L72 VanDerWaalsContact C-N 3.27Å; N70-L72 PolarHBondContact O-N 2.81Å; N70-L72 VanDerWaalsContact O-N 3.14Å; L72-R74 VanDerWaalsContact C-N 3.26Å; L72-R74 PolarHBondContact O-N 2.97Å; L72-A75 PolarHBondContact O-N 2.84Å; L72-L76 HydrophobicContact CD1-CD1 3.9Å; L72-L76 HydrophobicContact CD1-CG 4.22Å; L72-L76 HydrophobicContact CG-CD1 3.89Å; L72-L76 WeakPolarHBondContact O-CB 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.11Å; L72-L76 PolarHBondContact O-N 3.02Å; L72-A129 HydrophobicContact CB-CB 4.45Å; L72-A129 HydrophobicContact CD2-CB 3.58Å; L72-A133 HydrophobicContact CD2-CB 4.14Å; L72-I134 HydrophobicContact CD1-CD1 4.06Å; L72-I134 HydrophobicContact CD1-CG1 3.84Å; L72-I134 HydrophobicContact CD2-CG1 3.82Å; L72-I134 HydrophobicContact CG-CG1 4.46Å; L72-I170 HydrophobicContact CD1-CD1 3.95Å; L72-Y178 HydrophobicContact CB-CD2 3.93Å; L72-Y178 HydrophobicContact CB-CE2 4.46Å; L72-Y178 HydrophobicContact CB-CG 4.39Å; L72-Y178 HydrophobicContact CD1-CD1 4.01Å; L72-Y178 HydrophobicContact CD1-CD2 3.93Å; L72-Y178 HydrophobicContact CD1-CE1 4.24Å; L72-Y178 HydrophobicContact CD1-CE2 4.18Å; L72-Y178 HydrophobicContact CD1-CG 3.82Å; L72-Y178 HydrophobicContact CG-CD2 4.47Å
73F98.7Very high97.5Very high0 Ų026.7 Ų26.70%015%0.151CC..Hα-helixtrans-68.9-26.1-179-62-70.8000112.6N70 C71 G77 H87 L90 R91 T94 A129 A133N70-F73 PolarHBondContact O-N 3.44Å; N70-F73 VanDerWaalsContact O-N 3.08Å; C71-F73 PolarHBondContact O-N 2.91Å; F73-G77 PolarHBondContact O-N 3.29Å; F73-H87 HydrophobicContact CB-CB 3.95Å; F73-H87 WeakPolarHBondContact CB-O 3.45Å; F73-L90 HydrophobicContact CD1-CB 4.42Å; F73-R91 HydrophobicContact CD1-CB 4.14Å; F73-R91 HydrophobicContact CD2-CB 3.83Å; F73-R91 HydrophobicContact CD2-CG 4.11Å; F73-R91 HydrophobicContact CE1-CB 4.17Å; F73-R91 HydrophobicContact CE2-CB 3.86Å; F73-R91 HydrophobicContact CE2-CG 3.71Å; F73-R91 HydrophobicContact CG-CB 3.97Å; F73-R91 HydrophobicContact CZ-CB 4.02Å; F73-R91 HydrophobicContact CZ-CG 3.98Å; F73-T94 HydrophobicContact CE1-CG2 4.14Å; F73-T94 HydrophobicContact CZ-CG2 4.4Å; F73-A129 HydrophobicContact CE2-CB 3.76Å; F73-A129 HydrophobicContact CZ-CB 4.11Å; F73-A133 HydrophobicContact CZ-CB 4.34Å
74R98.7Very high97.5Very high41 Ų4126 Ų2616%0.15515%0.154CC..Hα-helixtrans-69.3-44.2172-68.9-177.2-175-70.3-0.1111.6V65 D68 N70 C71 L72 G77 D78 H87V65-R74 HydrophobicContact CB-CB 3.98Å; V65-R74 HydrophobicContact CG1-CB 4.06Å; V65-R74 HydrophobicContact CG2-CB 4.2Å; D68-R74 IonicContact OD1-NE 3.8Å; D68-R74 PolarHBondContact OD1-NE 3.28Å; D68-R74 IonicContact OD2-CZ 2.85Å; D68-R74 IonicContact OD2-NE 3.71Å; D68-R74 PolarHBondContact OD2-NE 3.09Å; D68-R74 IonicContact OD2-NH2 3.85Å; D68-R74 PolarHBondContact OD2-NH2 2.94Å; D68-R74 VanDerWaalsContact OD2-NH2 3.07Å; N70-R74 HydrophobicContact CB-CG 4.22Å; N70-R74 WeakPolarHBondContact O-CG 3.38Å; N70-R74 PolarHBondContact O-N 3.43Å; C71-R74 PolarHBondContact O-N 2.88Å; L72-R74 VanDerWaalsContact C-N 3.26Å; L72-R74 PolarHBondContact O-N 2.97Å; R74-G77 PolarHBondContact O-N 3.22Å; R74-D78 WeakPolarHBondContact O-CB 3.34Å; R74-D78 PolarHBondContact O-N 3.37Å; R74-H87 HydrophobicContact CG-CB 3.88Å; R74-H87 PolarHBondContact NH1-CD2 2.83Å; R74-H87 VanDerWaalsContact NH1-CD2 3.31Å; R74-H87 PolarHBondContact NH1-NE2 3.41Å; R74-H87 PolarHBondContact NH2-NE2 3.2Å
75A98.6Very high97.5Very high0 Ų027.5 Ų27.50%015%0.153CC..Hα-helixtrans-65.7-45.7177.700000111.1C71 L72 D78 Q79 I170C71-A75 WeakPolarHBondContact O-CB 3.29Å; C71-A75 PolarHBondContact O-N 3.33Å; L72-A75 PolarHBondContact O-N 2.84Å; A75-D78 PolarHBondContact O-N 3.41Å; A75-Q79 WeakPolarHBondContact O-CG 3.08Å; A75-Q79 PolarHBondContact O-N 2.85Å; A75-I170 HydrophobicContact CB-CG2 4.04Å
76L98.6Very high97.5Very high0 Ų027.2 Ų27.20%015%0.154CC..Hα-helixtrans-64.1-41.5175.6-69.5171.6000112.2L72 Q79 L80 F137 V145 I170L72-L76 HydrophobicContact CD1-CD1 3.9Å; L72-L76 HydrophobicContact CD1-CG 4.22Å; L72-L76 HydrophobicContact CG-CD1 3.89Å; L72-L76 WeakPolarHBondContact O-CB 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.11Å; L72-L76 PolarHBondContact O-N 3.02Å; L76-Q79 PolarHBondContact O-N 3.39Å; L76-L80 VanDerWaalsContact O-CB 3.3Å; L76-L80 WeakPolarHBondContact O-CB 3.19Å; L76-L80 PolarHBondContact O-N 3.34Å; L76-F137 HydrophobicContact CB-CE1 4.06Å; L76-F137 HydrophobicContact CB-CE2 4.06Å; L76-F137 HydrophobicContact CB-CZ 3.78Å; L76-F137 HydrophobicContact CD1-CB 4.19Å; L76-F137 HydrophobicContact CD1-CD1 3.81Å; L76-F137 HydrophobicContact CD1-CD2 3.96Å; L76-F137 HydrophobicContact CD1-CE1 4.16Å; L76-F137 HydrophobicContact CD1-CE2 4.27Å; L76-F137 HydrophobicContact CD1-CG 3.71Å; L76-F137 HydrophobicContact CD1-CZ 4.37Å; L76-F137 HydrophobicContact CD2-CD1 3.96Å; L76-F137 HydrophobicContact CD2-CE1 3.84Å; L76-F137 HydrophobicContact CD2-CZ 4.43Å; L76-F137 HydrophobicContact CG-CD1 4.33Å; L76-F137 HydrophobicContact CG-CE1 4.24Å; L76-F137 HydrophobicContact CG-CZ 4.42Å; L76-V145 HydrophobicContact CD2-CG1 4.21Å; L76-V145 HydrophobicContact CD2-CG2 4.21Å; L76-I170 HydrophobicContact CD2-CD1 4.36Å; L76-I170 HydrophobicContact CD2-CG2 4.05Å
77G98.4Very high97.6Very high0 Ų024.6 Ų24.60%014%0.136CC..Hα-helixtrans-63.2-42.8174.500000112.7F73 R74 Q79 L80 E81 H83F73-G77 PolarHBondContact O-N 3.29Å; R74-G77 PolarHBondContact O-N 3.22Å; G77-Q79 VanDerWaalsContact C-N 3.32Å; G77-Q79 PolarHBondContact O-N 2.86Å; G77-L80 PolarHBondContact O-N 3.32Å; G77-E81 WeakPolarHBondContact O-CB 3.35Å; G77-E81 PolarHBondContact O-N 3.46Å; G77-H83 CarbonylContact C-O 3.32Å; G77-H83 VanDerWaalsContact O-O 3.07Å
78D98.5Very high97.9Very high9 Ų925.2 Ų25.25%0.04812%0.123CC..Hα-helixtrans-58.7-44.1173.3179.385.1000111.6R63 R74 A75 G82 H83 S180 R182R63-D78 WeakPolarHBondContact CD-OD1 3.42Å; R63-D78 IonicContact CZ-OD1 3.09Å; R63-D78 IonicContact NE-OD1 3.95Å; R63-D78 IonicContact NH1-OD1 2.78Å; R63-D78 PolarHBondContact NH1-OD1 3.34Å; R63-D78 IonicContact NH1-OD2 3.58Å; R74-D78 WeakPolarHBondContact O-CB 3.34Å; R74-D78 PolarHBondContact O-N 3.37Å; A75-D78 PolarHBondContact O-N 3.41Å; D78-G82 CarbonylContact O-C 3.49Å; D78-G82 WeakPolarHBondContact O-CA 3.11Å; D78-G82 PolarHBondContact O-N 2.9Å; D78-H83 PolarHBondContact N-O 2.9Å; D78-S180 VanDerWaalsContact OD2-CB 3.32Å; D78-S180 WeakPolarHBondContact OD2-CB 3.47Å; D78-S180 PolarHBondContact OD2-OG 3.06Å; D78-R182 PolarHBondContact O-NH2 2.83Å; D78-R182 IonicContact OD1-CZ 3.6Å; D78-R182 IonicContact OD1-NE 3.42Å; D78-R182 IonicContact OD1-NH2 3.4Å; D78-R182 PolarHBondContact OD1-NH2 2.95Å; D78-R182 IonicContact OD2-CZ 2.8Å; D78-R182 IonicContact OD2-NE 3.28Å; D78-R182 PolarHBondContact OD2-NE 3.35Å; D78-R182 IonicContact OD2-NH2 2.69Å; D78-R182 PolarHBondContact OD2-NH2 3.34Å; D78-R182 VanDerWaalsContact OD2-NH2 3.09Å
79Q98.4Very high98Very high0 Ų029.6 Ų29.60%014%0.136CC..Hα-helixtrans-64.4-48.3176.7-72.5-69-61.700111.8A75 L76 G77 R166 L168 H169 I170 S180 V181 A192A75-Q79 WeakPolarHBondContact O-CG 3.08Å; A75-Q79 PolarHBondContact O-N 2.85Å; L76-Q79 PolarHBondContact O-N 3.39Å; G77-Q79 VanDerWaalsContact C-N 3.32Å; G77-Q79 PolarHBondContact O-N 2.86Å; Q79-R166 PolarHBondContact O-NH2 3.48Å; Q79-L168 HydrophobicContact CB-CB 3.89Å; Q79-L168 HydrophobicContact CB-CD1 4.23Å; Q79-L168 HydrophobicContact CB-CD2 3.98Å; Q79-L168 HydrophobicContact CB-CG 4.24Å; Q79-L168 HydrophobicContact CG-CB 4.28Å; Q79-H169 WeakPolarHBondContact CG-O 3.45Å; Q79-H169 PolarHBondContact NE2-O 2.89Å; Q79-H169 PolarHBondContact OE1-O 2.97Å; Q79-I170 HydrophobicContact CG-CG2 4.29Å; Q79-S180 PolarHBondContact NE2-OG 3.3Å; Q79-V181 PolarHBondContact NE2-O 3.27Å; Q79-A192 HydrophobicContact CB-CB 4.48Å; Q79-A192 PolarHBondContact O-N 3.4Å
80L97.7Very high98.2Very high24 Ų2429.4 Ų29.413%0.12613%0.133CC..Hα-helixtrans-74-45.5-172.5-171.271.6000112.5L76 G77 L90 F137 Q141 V143 R166 L168 P191L76-L80 VanDerWaalsContact O-CB 3.3Å; L76-L80 WeakPolarHBondContact O-CB 3.19Å; L76-L80 PolarHBondContact O-N 3.34Å; G77-L80 PolarHBondContact O-N 3.32Å; L80-L90 HydrophobicContact CD2-CD2 4.05Å; L80-F137 HydrophobicContact CD2-CZ 4.05Å; L80-Q141 HydrophobicContact CD2-CG 4.28Å; L80-V143 HydrophobicContact CD1-CG1 4.31Å; L80-R166 PolarHBondContact O-NH1 2.92Å; L80-R166 PolarHBondContact O-NH2 2.66Å; L80-L168 HydrophobicContact CB-CD1 4.33Å; L80-L168 HydrophobicContact CD1-CD1 4.28Å; L80-P191 WeakPolarHBondContact O-CB 3.42Å
81E97.5Very high98.2Very high37 Ų3729 Ų2917%0.17313%0.131CC..Hα-helixtrans-109.5-16.2-169.9-61.5172.3-17400113G77 H83 R89G77-E81 WeakPolarHBondContact O-CB 3.35Å; G77-E81 PolarHBondContact O-N 3.46Å; E81-H83 IonicContact OE2-CE1 3.78Å; E81-H83 PolarHBondContact OE2-CE1 2.94Å; E81-H83 VanDerWaalsContact OE2-CE1 3.31Å; E81-H83 IonicContact OE2-ND1 2.77Å; E81-R89 IonicContact OE1-CZ 3.71Å; E81-R89 IonicContact OE1-NH2 2.61Å; E81-R89 PolarHBondContact OE1-NH2 2.86Å
82G97.4Very high98.2Very high0 Ų033.3 Ų33.30%015%0.151CC..SBendtrans99.4-10.2-176.500000114.7R63 D78 R182 E189 S190R63-G82 PolarHBondContact NH1-O 3.5Å; D78-G82 CarbonylContact O-C 3.49Å; D78-G82 WeakPolarHBondContact O-CA 3.11Å; D78-G82 PolarHBondContact O-N 2.9Å; G82-R182 VanDerWaalsContact CA-NH2 3.3Å; G82-R182 PolarHBondContact O-NH2 3.03Å; G82-E189 WeakPolarHBondContact CA-O 3.3Å; G82-E189 CarbonylContact O-C 3.56Å; G82-E189 WeakPolarHBondContact O-CA 3.46Å; G82-S190 WeakPolarHBondContact CA-O 3.45Å
83H97.1Very high98.2Very high44 Ų4435.9 Ų35.920%0.20416%0.163CC..SBendtrans-153.1161.8-177.459.354.3000111.7G77 D78 E81 R85G77-H83 CarbonylContact C-O 3.32Å; G77-H83 VanDerWaalsContact O-O 3.07Å; D78-H83 PolarHBondContact N-O 2.9Å; E81-H83 IonicContact OE2-CE1 3.78Å; E81-H83 PolarHBondContact OE2-CE1 2.94Å; E81-H83 VanDerWaalsContact OE2-CE1 3.31Å; E81-H83 IonicContact OE2-ND1 2.77Å; H83-R85 PolarHBondContact CD2-NH2 3.04Å; H83-R85 PolarHBondContact ND1-N 3.23Å; H83-R85 PolarHBondContact O-N 3.36Å
84S97.5Very high98.2Very high34 Ų3435.9 Ų35.924%0.23816%0.163CC..G310 helixtrans-88.84.2-177.163.80000115.6G86 H87S84-G86 VanDerWaalsContact C-N 3.3Å; S84-G86 PolarHBondContact O-N 3.13Å; S84-H87 WeakPolarHBondContact O-CB 3.28Å; S84-H87 PolarHBondContact O-CD2 3.26Å; S84-H87 PolarHBondContact O-N 3.12Å
85R97.9Very high98.2Very high164 Ų16434.6 Ų34.662%0.61916%0.159SC*.G310 helixtrans-59.7-34.6-174.6-66.1179.9-85.2-144.1-14.4113.7H83 H87 E189H83-R85 PolarHBondContact CD2-NH2 3.04Å; H83-R85 PolarHBondContact ND1-N 3.23Å; H83-R85 PolarHBondContact O-N 3.36Å; R85-H87 VanDerWaalsContact C-N 3.29Å; R85-H87 PolarHBondContact O-N 3.46Å; R85-E189 IonicContact CZ-OE2 3.29Å; R85-E189 IonicContact NH2-OE2 3.69Å; R85-E189 PolarHBondContact NH2-OE2 3.18Å
86G97.1Very high98.2Very high12 Ų1241.1 Ų41.112%0.12419%0.19CC..G310 helixtrans-78.83-17900000115.8S84 L88 R89 L90S84-G86 VanDerWaalsContact C-N 3.3Å; S84-G86 PolarHBondContact O-N 3.13Å; G86-L88 VanDerWaalsContact C-N 3.28Å; G86-L88 PolarHBondContact O-N 3.26Å; G86-L88 VanDerWaalsContact O-N 3.11Å; G86-R89 WeakPolarHBondContact O-CB 3.48Å; G86-R89 PolarHBondContact O-N 3.31Å; G86-L90 PolarHBondContact O-N 3.28Å
87H98.5Very high98.2Very high18 Ų1843.3 Ų43.38%0.08320%0.198CC..Hα-helixtrans-56.8-34.9-167.875.393.2000114.9F73 R74 S84 R85 R91F73-H87 HydrophobicContact CB-CB 3.95Å; F73-H87 WeakPolarHBondContact CB-O 3.45Å; R74-H87 HydrophobicContact CG-CB 3.88Å; R74-H87 PolarHBondContact NH1-CD2 2.83Å; R74-H87 VanDerWaalsContact NH1-CD2 3.31Å; R74-H87 PolarHBondContact NH1-NE2 3.41Å; R74-H87 PolarHBondContact NH2-NE2 3.2Å; S84-H87 WeakPolarHBondContact O-CB 3.28Å; S84-H87 PolarHBondContact O-CD2 3.26Å; S84-H87 PolarHBondContact O-N 3.12Å; R85-H87 VanDerWaalsContact C-N 3.29Å; R85-H87 PolarHBondContact O-N 3.46Å; H87-R91 WeakPolarHBondContact O-CB 3.47Å; H87-R91 PolarHBondContact O-N 3.5Å
88L98.6Very high98.2Very high80 Ų8043.3 Ų43.342%0.41920%0.198SC..Hα-helixtrans-70.4-39.4177-66.6179.7000112G86 R91 Q92G86-L88 VanDerWaalsContact C-N 3.28Å; G86-L88 PolarHBondContact O-N 3.26Å; G86-L88 VanDerWaalsContact O-N 3.11Å; L88-R91 WeakPolarHBondContact O-CB 3.36Å; L88-R91 PolarHBondContact O-N 3.43Å; L88-Q92 WeakPolarHBondContact O-CG 3.47Å; L88-Q92 PolarHBondContact O-N 3.37Å; L88-Q92 VanDerWaalsContact O-N 3.12Å
89R98.6Very high98.2Very high140 Ų14049.4 Ų49.453%0.52823%0.229SC..Hα-helixtrans-62.4-49.5175.1-179.8-173.767-1771.4110E81 G86 R91 Q92 E93E81-R89 IonicContact OE1-CZ 3.71Å; E81-R89 IonicContact OE1-NH2 2.61Å; E81-R89 PolarHBondContact OE1-NH2 2.86Å; G86-R89 WeakPolarHBondContact O-CB 3.48Å; G86-R89 PolarHBondContact O-N 3.31Å; R89-R91 VanDerWaalsContact C-N 3.28Å; R89-R91 PolarHBondContact O-N 3.46Å; R89-Q92 PolarHBondContact O-N 3.1Å; R89-E93 VanDerWaalsContact CD-OE1 3.31Å; R89-E93 WeakPolarHBondContact CD-OE1 3.25Å; R89-E93 HydrophobicContact CG-CG 4.39Å; R89-E93 VanDerWaalsContact CG-OE1 3.25Å; R89-E93 WeakPolarHBondContact CG-OE1 3.4Å; R89-E93 IonicContact NE-OE1 3.55Å; R89-E93 WeakPolarHBondContact O-CG 3.46Å; R89-E93 PolarHBondContact O-N 2.86Å
90L98.6Very high98.2Very high1 Ų153.4 Ų53.41%0.00526%0.256CS..Hα-helixtrans-59.7-38.9179-63.6176000111.8F73 L80 G86 Q92 E93 T94 F137F73-L90 HydrophobicContact CD1-CB 4.42Å; L80-L90 HydrophobicContact CD2-CD2 4.05Å; G86-L90 PolarHBondContact O-N 3.28Å; L90-Q92 PolarHBondContact O-N 2.79Å; L90-E93 PolarHBondContact O-N 3.24Å; L90-T94 WeakPolarHBondContact O-CB 3.42Å; L90-T94 PolarHBondContact O-N 3.31Å; L90-T94 PolarHBondContact O-OG1 3.06Å; L90-T94 VanDerWaalsContact O-OG1 3.05Å; L90-F137 HydrophobicContact CB-CE2 4.18Å; L90-F137 HydrophobicContact CD1-CE2 4.16Å; L90-F137 HydrophobicContact CD2-CE2 4.07Å; L90-F137 HydrophobicContact CG-CE2 4.35Å
91R98.8Very high98.2Very high0 Ų055.5 Ų55.50%027%0.265CS..Hα-helixtrans-57-49.3171.8178.4-173-69.8-85.33.9111.7G69 N70 F73 H87 L88 R89 T94 V95 L122 A123 Q124 T127G69-R91 PolarHBondContact O-NH2 2.91Å; N70-R91 PolarHBondContact OD1-NH2 2.83Å; F73-R91 HydrophobicContact CD1-CB 4.14Å; F73-R91 HydrophobicContact CD2-CB 3.83Å; F73-R91 HydrophobicContact CD2-CG 4.11Å; F73-R91 HydrophobicContact CE1-CB 4.17Å; F73-R91 HydrophobicContact CE2-CB 3.86Å; F73-R91 HydrophobicContact CE2-CG 3.71Å; F73-R91 HydrophobicContact CG-CB 3.97Å; F73-R91 HydrophobicContact CZ-CB 4.02Å; F73-R91 HydrophobicContact CZ-CG 3.98Å; H87-R91 WeakPolarHBondContact O-CB 3.47Å; H87-R91 PolarHBondContact O-N 3.5Å; L88-R91 WeakPolarHBondContact O-CB 3.36Å; L88-R91 PolarHBondContact O-N 3.43Å; R89-R91 VanDerWaalsContact C-N 3.28Å; R89-R91 PolarHBondContact O-N 3.46Å; R91-T94 PolarHBondContact O-N 3.26Å; R91-V95 WeakPolarHBondContact O-CG2 3.45Å; R91-V95 PolarHBondContact O-N 3.43Å; R91-L122 VanDerWaalsContact CD-O 3.31Å; R91-L122 WeakPolarHBondContact CD-O 3.46Å; R91-L122 PolarHBondContact NH1-O 2.94Å; R91-A123 WeakPolarHBondContact CD-O 3.37Å; R91-Q124 PolarHBondContact NH1-O 3.28Å; R91-T127 PolarHBondContact NH1-O 3.4Å; R91-T127 PolarHBondContact NH2-O 3.01Å
92Q98.7Very high98.2Very high93 Ų9358.8 Ų58.844%0.43528%0.276SS..Hα-helixtrans-65-42.5-179.6-65-55.5-38.200112L88 R89 L90 T94 V95 Q96 A123L88-Q92 WeakPolarHBondContact O-CG 3.47Å; L88-Q92 PolarHBondContact O-N 3.37Å; L88-Q92 VanDerWaalsContact O-N 3.12Å; R89-Q92 PolarHBondContact O-N 3.1Å; L90-Q92 PolarHBondContact O-N 2.79Å; Q92-T94 VanDerWaalsContact C-N 3.33Å; Q92-T94 PolarHBondContact O-N 2.91Å; Q92-V95 PolarHBondContact O-N 3.04Å; Q92-Q96 WeakPolarHBondContact O-CB 3.31Å; Q92-Q96 PolarHBondContact O-N 2.82Å; Q92-A123 PolarHBondContact NE2-O 3.34Å
93E98.7Very high98.2Very high57 Ų5767 Ų6727%0.26632%0.315SS..Hα-helixtrans-60.6-42175.6-71.5173.5-168.300111.7R89 L90 Q96 Y97 Q141R89-E93 VanDerWaalsContact CD-OE1 3.31Å; R89-E93 WeakPolarHBondContact CD-OE1 3.25Å; R89-E93 HydrophobicContact CG-CG 4.39Å; R89-E93 VanDerWaalsContact CG-OE1 3.25Å; R89-E93 WeakPolarHBondContact CG-OE1 3.4Å; R89-E93 IonicContact NE-OE1 3.55Å; R89-E93 WeakPolarHBondContact O-CG 3.46Å; R89-E93 PolarHBondContact O-N 2.86Å; L90-E93 PolarHBondContact O-N 3.24Å; E93-Q96 PolarHBondContact O-N 2.77Å; E93-Y97 WeakPolarHBondContact O-CB 3.37Å; E93-Y97 PolarHBondContact O-N 2.9Å; E93-Q141 PolarHBondContact OE2-NE2 3.33Å
94T98.8Very high98.2Very high0 Ų068.2 Ų68.20%032%0.322CS..Hα-helixtrans-61.9-47.3174.5-65.80000111.7F73 L90 R91 Q92 Q96 Y97 M98 A133 A136 F137F73-T94 HydrophobicContact CE1-CG2 4.14Å; F73-T94 HydrophobicContact CZ-CG2 4.4Å; L90-T94 WeakPolarHBondContact O-CB 3.42Å; L90-T94 PolarHBondContact O-N 3.31Å; L90-T94 PolarHBondContact O-OG1 3.06Å; L90-T94 VanDerWaalsContact O-OG1 3.05Å; R91-T94 PolarHBondContact O-N 3.26Å; Q92-T94 VanDerWaalsContact C-N 3.33Å; Q92-T94 PolarHBondContact O-N 2.91Å; T94-Q96 VanDerWaalsContact C-N 3.35Å; T94-Q96 PolarHBondContact O-N 3.48Å; T94-Y97 WeakPolarHBondContact O-CB 3.22Å; T94-Y97 PolarHBondContact O-N 3.45Å; T94-M98 HydrophobicContact CG2-SD 4.27Å; T94-M98 WeakPolarHBondContact O-CG 3.39Å; T94-M98 PolarHBondContact O-N 3.46Å; T94-A133 HydrophobicContact CG2-CB 4.23Å; T94-A133 WeakPolarHBondContact CG2-O 3.48Å; T94-A136 HydrophobicContact CG2-CB 3.71Å; T94-F137 HydrophobicContact CG2-CB 4.48Å
95V98.6Very high98.2Very high13 Ų1366.6 Ų66.68%0.07931%0.311CS..Hα-helixtrans-63.1-42178.3170.80000111.4R91 Q92 Y97 M98 M99 L119 L122 A123R91-V95 WeakPolarHBondContact O-CG2 3.45Å; R91-V95 PolarHBondContact O-N 3.43Å; Q92-V95 PolarHBondContact O-N 3.04Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3.09Å; V95-M98 PolarHBondContact O-N 2.91Å; V95-M99 WeakPolarHBondContact O-CB 3.29Å; V95-M99 PolarHBondContact O-N 2.78Å; V95-L119 HydrophobicContact CG1-CB 4.11Å; V95-L119 HydrophobicContact CG1-CD2 4.43Å; V95-L122 HydrophobicContact CG2-CB 4.15Å; V95-L122 HydrophobicContact CG2-CD2 3.99Å; V95-L122 HydrophobicContact CG2-CG 3.8Å; V95-A123 HydrophobicContact CG1-CB 4.26Å; V95-A123 HydrophobicContact CG2-CB 4.25Å
96Q98.7Very high98.1Very high138 Ų13862.5 Ų62.565%0.64530%0.299SS*.Hα-helixtrans-63-38.6176.6-172.7177.420.800111.7Q92 E93 T94 M99 S100Q92-Q96 WeakPolarHBondContact O-CB 3.31Å; Q92-Q96 PolarHBondContact O-N 2.82Å; E93-Q96 PolarHBondContact O-N 2.77Å; T94-Q96 VanDerWaalsContact C-N 3.35Å; T94-Q96 PolarHBondContact O-N 3.48Å; Q96-M99 PolarHBondContact O-N 3.4Å; Q96-S100 PolarHBondContact O-N 2.92Å; Q96-S100 PolarHBondContact O-OG 2.85Å
97Y98.6Very high98Very high45 Ų4566.8 Ų66.818%0.17633%0.325CS..Hα-helixtrans-62.1-48.1173.5-172.3-87.4000111.4E93 T94 V95 M99 S100 H101 F105 A136 R139E93-Y97 WeakPolarHBondContact O-CB 3.37Å; E93-Y97 PolarHBondContact O-N 2.9Å; T94-Y97 WeakPolarHBondContact O-CB 3.22Å; T94-Y97 PolarHBondContact O-N 3.45Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3.09Å; Y97-M99 VanDerWaalsContact C-N 3.3Å; Y97-M99 PolarHBondContact O-N 3.07Å; Y97-S100 PolarHBondContact O-N 3.08Å; Y97-S100 PolarHBondContact O-OG 2.76Å; Y97-H101 AromaticContact CD2-CE1 3.96Å; Y97-H101 AromaticContact CD2-ND1 3.97Å; Y97-H101 HydrophobicContact CE1-CB 4.31Å; Y97-H101 AromaticContact CE1-CG 3.94Å; Y97-H101 AromaticContact CE1-ND1 3.8Å; Y97-H101 AromaticContact CE2-CE1 3.49Å; Y97-H101 VanDerWaalsContact CE2-CE1 3.49Å; Y97-H101 WeakPolarHBondContact CE2-CE1 3.38Å; Y97-H101 AromaticContact CE2-ND1 3.78Å; Y97-H101 AromaticContact CZ-CE1 3.62Å; Y97-H101 AromaticContact CZ-CG 3.96Å; Y97-H101 AromaticContact CZ-ND1 3.66Å; Y97-H101 AromaticContact CZ-NE2 3.89Å; Y97-H101 PolarHBondContact O-N 3.4Å; Y97-H101 PolarHBondContact O-ND1 2.93Å; Y97-F105 AromaticContact CD1-CE2 3.84Å; Y97-F105 HydrophobicContact CD1-CE2 3.84Å; Y97-F105 HydrophobicContact CD1-CZ 4.03Å; Y97-F105 AromaticContact CE1-CE2 3.71Å; Y97-F105 HydrophobicContact CE1-CE2 3.71Å; Y97-F105 AromaticContact CE1-CZ 3.87Å; Y97-F105 HydrophobicContact CE1-CZ 3.87Å; Y97-A136 HydrophobicContact CD1-CB 4.14Å; Y97-R139 HydrophobicContact CE1-CB 3.75Å; Y97-R139 HydrophobicContact CE2-CB 4.42Å; Y97-R139 WeakPolarHBondContact OH-CB 3.33Å
98M98.6Very high97.7Very high0 Ų072.9 Ų72.90%035%0.351CS..Hα-helixtrans-60.8-40.5177.3-65.8172.576.300112T94 V95 S100 H101 R102 F105 F115 L119 L122 D132 A136T94-M98 HydrophobicContact CG2-SD 4.27Å; T94-M98 WeakPolarHBondContact O-CG 3.39Å; T94-M98 PolarHBondContact O-N 3.46Å; V95-M98 PolarHBondContact O-N 2.91Å; M98-S100 PolarHBondContact O-N 3.11Å; M98-H101 CarbonylContact O-C 3.42Å; M98-H101 VanDerWaalsContact O-C 3.32Å; M98-H101 PolarHBondContact O-N 2.77Å; M98-R102 PolarHBondContact O-N 3.18Å; M98-R102 VanDerWaalsContact O-N 3.16Å; M98-F105 HydrophobicContact CB-CB 4.49Å; M98-F105 HydrophobicContact CB-CD2 4.11Å; M98-F105 HydrophobicContact CB-CG 4.19Å; M98-F105 HydrophobicContact CE-CB 4.16Å; M98-F105 HydrophobicContact CE-CD1 4.04Å; M98-F105 HydrophobicContact CE-CG 4.22Å; M98-F105 HydrophobicContact CG-CD1 4.03Å; M98-F105 HydrophobicContact CG-CD2 4.09Å; M98-F105 HydrophobicContact CG-CE1 4.27Å; M98-F105 HydrophobicContact CG-CE2 4.32Å; M98-F105 HydrophobicContact CG-CG 3.95Å; M98-F105 HydrophobicContact CG-CZ 4.42Å; M98-F115 HydrophobicContact CB-CZ 4.44Å; M98-F115 WeakPolarHBondContact O-CZ 3.39Å; M98-L119 HydrophobicContact CB-CD1 4.46Å; M98-L119 HydrophobicContact CB-CD2 3.63Å; M98-L119 HydrophobicContact CE-CD2 3.85Å; M98-L119 HydrophobicContact CG-CD2 4.41Å; M98-L119 HydrophobicContact SD-CD2 3.96Å; M98-L122 HydrophobicContact CE-CD2 4.13Å; M98-L122 HydrophobicContact SD-CD2 3.54Å; M98-L122 VanDerWaalsContact SD-CD2 3.54Å; M98-D132 HydrophobicContact CE-CB 4.2Å; M98-D132 VanDerWaalsContact CE-OD2 3.25Å; M98-D132 WeakPolarHBondContact CE-OD2 3.5Å; M98-A136 HydrophobicContact CG-CB 3.34Å; M98-A136 HydrophobicContact SD-CB 3.94Å
99M98.1Very high97.4Very high138 Ų13869.8 Ų69.868%0.6834%0.336SS*.Hα-helixtrans-61.8-42.8178.1-173.7176.7156.500112.3V95 Q96 Y97 H101 L119V95-M99 WeakPolarHBondContact O-CB 3.29Å; V95-M99 PolarHBondContact O-N 2.78Å; Q96-M99 PolarHBondContact O-N 3.4Å; Y97-M99 VanDerWaalsContact C-N 3.3Å; Y97-M99 PolarHBondContact O-N 3.07Å; M99-H101 VanDerWaalsContact C-N 3.31Å; M99-L119 HydrophobicContact CB-CD1 3.74Å; M99-L119 HydrophobicContact CG-CD1 4.29Å
100S98.3Very high96.9Very high83 Ų8369.6 Ų69.658%0.5834%0.341SS*.Hα-helixtrans-74.4-20.4178.4520000113.6Q96 Y97 M98Q96-S100 PolarHBondContact O-N 2.92Å; Q96-S100 PolarHBondContact O-OG 2.85Å; Y97-S100 PolarHBondContact O-N 3.08Å; Y97-S100 PolarHBondContact O-OG 2.76Å; M98-S100 PolarHBondContact O-N 3.11Å
101H98Very high96.4Very high69 Ų6978 Ų7832%0.31939%0.385SS..THydrogen-bonded Turntrans-116.138-179.8-62.978.5000111.7Y97 M98 M99 Q103 D104 F105Y97-H101 AromaticContact CD2-CE1 3.96Å; Y97-H101 AromaticContact CD2-ND1 3.97Å; Y97-H101 HydrophobicContact CE1-CB 4.31Å; Y97-H101 AromaticContact CE1-CG 3.94Å; Y97-H101 AromaticContact CE1-ND1 3.8Å; Y97-H101 AromaticContact CE2-CE1 3.49Å; Y97-H101 VanDerWaalsContact CE2-CE1 3.49Å; Y97-H101 WeakPolarHBondContact CE2-CE1 3.38Å; Y97-H101 AromaticContact CE2-ND1 3.78Å; Y97-H101 AromaticContact CZ-CE1 3.62Å; Y97-H101 AromaticContact CZ-CG 3.96Å; Y97-H101 AromaticContact CZ-ND1 3.66Å; Y97-H101 AromaticContact CZ-NE2 3.89Å; Y97-H101 PolarHBondContact O-N 3.4Å; Y97-H101 PolarHBondContact O-ND1 2.93Å; M98-H101 CarbonylContact O-C 3.42Å; M98-H101 VanDerWaalsContact O-C 3.32Å; M98-H101 PolarHBondContact O-N 2.77Å; M99-H101 VanDerWaalsContact C-N 3.31Å; H101-Q103 PolarHBondContact O-N 2.83Å; H101-D104 HydrophobicContact CB-CB 4.5Å; H101-D104 WeakPolarHBondContact O-CB 3.4Å; H101-D104 PolarHBondContact O-N 3.38Å; H101-F105 HydrophobicContact CB-CD2 3.99Å; H101-F105 HydrophobicContact CB-CE2 3.8Å; H101-F105 WeakPolarHBondContact O-CD2 3.43Å
102R97.8Very high96Very high105 Ų10584.3 Ų84.340%0.39642%0.419SS..Hα-helixtrans-46-44.8-172.7173.4172-179.4159.53.5114.1M98 D104 F105 E106 F115M98-R102 PolarHBondContact O-N 3.18Å; M98-R102 VanDerWaalsContact O-N 3.16Å; R102-D104 PolarHBondContact O-N 2.98Å; R102-F105 PolarHBondContact O-N 2.84Å; R102-E106 HydrophobicContact CG-CB 4.16Å; R102-E106 WeakPolarHBondContact CG-OE2 3.48Å; R102-E106 IonicContact CZ-OE1 3.31Å; R102-E106 IonicContact CZ-OE2 3.07Å; R102-E106 VanDerWaalsContact NE-CD 3.32Å; R102-E106 IonicContact NE-OE1 3.63Å; R102-E106 PolarHBondContact NE-OE1 2.82Å; R102-E106 IonicContact NE-OE2 2.81Å; R102-E106 PolarHBondContact NE-OE2 2.92Å; R102-E106 IonicContact NH2-OE1 3.72Å; R102-E106 PolarHBondContact NH2-OE1 2.57Å; R102-E106 IonicContact NH2-OE2 3.7Å; R102-E106 VanDerWaalsContact O-CB 3.23Å; R102-E106 WeakPolarHBondContact O-CB 3.22Å; R102-E106 PolarHBondContact O-N 2.83Å; R102-F115 HydrophobicContact CB-CD1 4.33Å; R102-F115 HydrophobicContact CB-CE1 3.77Å; R102-F115 HydrophobicContact CB-CZ 4.24Å; R102-F115 HydrophobicContact CG-CD1 3.64Å; R102-F115 HydrophobicContact CG-CE1 3.58Å; R102-F115 HydrophobicContact CG-CG 4.25Å; R102-F115 HydrophobicContact CG-CZ 4.17Å
103Q97.4Very high95.7Very high173 Ų17381.5 Ų81.581%0.80841%0.409SS*.Hα-helixtrans-59.6-29.8-176.9-64.5176.911.300112.9H101 P107H101-Q103 PolarHBondContact O-N 2.83Å; Q103-P107 VanDerWaalsContact O-CD 3.29Å; Q103-P107 WeakPolarHBondContact O-CD 3.49Å
104D96.8Very high95.6Very high69 Ų6983 Ų8337%0.36942%0.424SS..Hα-helixtrans-79.4-28.1179-66.1-4.3000112.3H101 R102 F108 R139H101-D104 HydrophobicContact CB-CB 4.5Å; H101-D104 WeakPolarHBondContact O-CB 3.4Å; H101-D104 PolarHBondContact O-N 3.38Å; R102-D104 PolarHBondContact O-N 2.98Å; D104-F108 VanDerWaalsContact O-CD2 3.28Å; D104-F108 WeakPolarHBondContact O-CD2 3.5Å; D104-F108 WeakPolarHBondContact O-CE2 3.48Å; D104-R139 IonicContact OD2-NH1 3.08Å; D104-R139 PolarHBondContact OD2-NH1 2.92Å; D104-R139 VanDerWaalsContact OD2-NH1 3.08Å
105F97.3Very high95.5Very high1 Ų183.4 Ų83.40%0.00443%0.425CS..Hα-helixtrans-107.3-29.3-170.2-67.9-76.8000113.7Y97 M98 H101 R102 P107 F108 F115 V135 A136Y97-F105 AromaticContact CD1-CE2 3.84Å; Y97-F105 HydrophobicContact CD1-CE2 3.84Å; Y97-F105 HydrophobicContact CD1-CZ 4.03Å; Y97-F105 AromaticContact CE1-CE2 3.71Å; Y97-F105 HydrophobicContact CE1-CE2 3.71Å; Y97-F105 AromaticContact CE1-CZ 3.87Å; Y97-F105 HydrophobicContact CE1-CZ 3.87Å; M98-F105 HydrophobicContact CB-CB 4.49Å; M98-F105 HydrophobicContact CB-CD2 4.11Å; M98-F105 HydrophobicContact CB-CG 4.19Å; M98-F105 HydrophobicContact CE-CB 4.16Å; M98-F105 HydrophobicContact CE-CD1 4.04Å; M98-F105 HydrophobicContact CE-CG 4.22Å; M98-F105 HydrophobicContact CG-CD1 4.03Å; M98-F105 HydrophobicContact CG-CD2 4.09Å; M98-F105 HydrophobicContact CG-CE1 4.27Å; M98-F105 HydrophobicContact CG-CE2 4.32Å; M98-F105 HydrophobicContact CG-CG 3.95Å; M98-F105 HydrophobicContact CG-CZ 4.42Å; H101-F105 HydrophobicContact CB-CD2 3.99Å; H101-F105 HydrophobicContact CB-CE2 3.8Å; H101-F105 WeakPolarHBondContact O-CD2 3.43Å; R102-F105 PolarHBondContact O-N 2.84Å; F105-P107 VanDerWaalsContact C-CD 3.42Å; F105-P107 VanDerWaalsContact C-N 3.34Å; F105-F108 PolarHBondContact O-N 3.36Å; F105-F115 HydrophobicContact CB-CE2 3.72Å; F105-F115 HydrophobicContact CB-CZ 4.04Å; F105-V135 HydrophobicContact CE1-CB 4.33Å; F105-V135 HydrophobicContact CE1-CG1 4.09Å; F105-V135 HydrophobicContact CZ-CG1 4.44Å; F105-A136 HydrophobicContact CD1-CB 4.36Å; F105-A136 HydrophobicContact CE1-CB 3.55Å; F105-A136 HydrophobicContact CE2-CB 4.39Å; F105-A136 HydrophobicContact CZ-CB 3.57Å
106E95.8Very high95.5Very high77 Ų7786.4 Ų86.436%0.3645%0.445SS..G310 helixtrans-55.9-38.7179-177.2161.8-142.300113.8R102 F108 V109 F115R102-E106 HydrophobicContact CG-CB 4.16Å; R102-E106 WeakPolarHBondContact CG-OE2 3.48Å; R102-E106 IonicContact CZ-OE1 3.31Å; R102-E106 IonicContact CZ-OE2 3.07Å; R102-E106 VanDerWaalsContact NE-CD 3.32Å; R102-E106 IonicContact NE-OE1 3.63Å; R102-E106 PolarHBondContact NE-OE1 2.82Å; R102-E106 IonicContact NE-OE2 2.81Å; R102-E106 PolarHBondContact NE-OE2 2.92Å; R102-E106 IonicContact NH2-OE1 3.72Å; R102-E106 PolarHBondContact NH2-OE1 2.57Å; R102-E106 IonicContact NH2-OE2 3.7Å; R102-E106 VanDerWaalsContact O-CB 3.23Å; R102-E106 WeakPolarHBondContact O-CB 3.22Å; R102-E106 PolarHBondContact O-N 2.83Å; E106-F108 PolarHBondContact O-N 3.08Å; E106-F108 VanDerWaalsContact O-N 3.12Å; E106-V109 PolarHBondContact O-N 3.42Å; E106-V109 VanDerWaalsContact O-N 3.13Å; E106-F115 HydrophobicContact CB-CB 4.44Å; E106-F115 HydrophobicContact CB-CD2 3.81Å; E106-F115 HydrophobicContact CB-CE2 4.28Å; E106-F115 HydrophobicContact CB-CG 4.17Å; E106-F115 HydrophobicContact CG-CB 4.07Å; E106-F115 HydrophobicContact CG-CD2 4.3Å; E106-F115 HydrophobicContact CG-CG 4.34Å
107P94.9Very high95.4Very high102 Ų10284.3 Ų84.366%0.66244%0.435SS*.G310 helixtrans-64-15.5175.9-23.835.5000115.3Q103 F105Q103-P107 VanDerWaalsContact O-CD 3.29Å; Q103-P107 WeakPolarHBondContact O-CD 3.49Å; F105-P107 VanDerWaalsContact C-CD 3.42Å; F105-P107 VanDerWaalsContact C-N 3.34Å
108F91.4Very high95.4Very high147 Ų14784.1 Ų84.165%0.64544%0.436SS*.G310 helixtrans-94.8-7.2178.6-61.1-76.1000113.2D104 F105 E106 D132D104-F108 VanDerWaalsContact O-CD2 3.28Å; D104-F108 WeakPolarHBondContact O-CD2 3.5Å; D104-F108 WeakPolarHBondContact O-CE2 3.48Å; F105-F108 PolarHBondContact O-N 3.36Å; E106-F108 PolarHBondContact O-N 3.08Å; E106-F108 VanDerWaalsContact O-N 3.12Å; F108-D132 HydrophobicContact CB-CB 4.42Å
109V92.6Very high95.3Very high15 Ų1584.7 Ų84.79%0.09144%0.439CS..SBendtrans-83.7144.3177.5-178.80000109.7E106 V113 F115 H118E106-V109 PolarHBondContact O-N 3.42Å; E106-V109 VanDerWaalsContact O-N 3.13Å; V109-V113 HydrophobicContact CG1-CB 4.26Å; V109-V113 HydrophobicContact CG1-CG1 4.49Å; V109-V113 VanDerWaalsContact CG1-O 3.26Å; V109-V113 WeakPolarHBondContact CG1-O 3.22Å; V109-F115 HydrophobicContact CG2-CD2 3.65Å; V109-F115 HydrophobicContact CG2-CE2 4.14Å; V109-H118 HydrophobicContact CG1-CB 3.65Å; V109-H118 HydrophobicContact CG2-CB 4.12Å; V109-H118 WeakPolarHBondContact CG2-CD2 3.14Å
110E89.3Confident95.3Very high135 Ų13581 Ų8163%0.63143%0.426SS*.  trans-59.6136177.5-58.1179.4157.800111.1D112 V113E110-D112 WeakPolarHBondContact CB-OD1 3.43Å; E110-D112 PolarHBondContact O-N 3.24Å; E110-V113 HydrophobicContact CB-CG2 4.39Å; E110-V113 PolarHBondContact O-N 2.85Å
111D86.5Confident95.3Very high177 Ų17779.7 Ų79.795%0.94741%0.413SS*.THydrogen-bonded Turntrans-58.8-24.2-173.5-68.9-42.5000113.8
112D92.1Very high95.3Very high133 Ų13376.6 Ų76.671%0.71140%0.399SS*.THydrogen-bonded Turntrans-88.4-4.8178.862.7-41.8000113.9E110E110-D112 WeakPolarHBondContact CB-OD1 3.43Å; E110-D112 PolarHBondContact O-N 3.24Å
113V92Very high95.3Very high35 Ų3572.8 Ų72.821%0.21239%0.39CS..SBendtrans-115.8111.9178.2-175.70000110.1V109 E110 F115 Q117 H118V109-V113 HydrophobicContact CG1-CB 4.26Å; V109-V113 HydrophobicContact CG1-CG1 4.49Å; V109-V113 VanDerWaalsContact CG1-O 3.26Å; V109-V113 WeakPolarHBondContact CG1-O 3.22Å; E110-V113 HydrophobicContact CB-CG2 4.39Å; E110-V113 PolarHBondContact O-N 2.85Å; V113-F115 PolarHBondContact O-N 3.49Å; V113-Q117 HydrophobicContact CG1-CB 4.23Å; V113-Q117 HydrophobicContact CG1-CG 4.35Å; V113-H118 HydrophobicContact CG1-CB 4.1Å
114P96.3Very high95.3Very high89 Ų8969.8 Ų69.858%0.57838%0.376SS*.  trans-57.6137.5174.7-25.134.2000111.8P116 Q117 H118P114-P116 VanDerWaalsContact C-CD 3.45Å; P114-P116 VanDerWaalsContact C-N 3.34Å; P114-P116 VanDerWaalsContact O-N 3.16Å; P114-Q117 HydrophobicContact CB-CB 4.42Å; P114-Q117 WeakPolarHBondContact O-CA 3.43Å; P114-Q117 VanDerWaalsContact O-CB 3.29Å; P114-Q117 WeakPolarHBondContact O-CB 3.39Å; P114-Q117 PolarHBondContact O-N 2.76Å; P114-H118 PolarHBondContact O-N 3.01Å
115F97.2Very high95.4Very high7 Ų770.2 Ų70.23%0.03138%0.384CS..Hα-helixtrans-48.4-44.7-178.8-176.9-100.5000114.7M98 R102 F105 E106 V109 V113 Q117 H118 L119M98-F115 HydrophobicContact CB-CZ 4.44Å; M98-F115 WeakPolarHBondContact O-CZ 3.39Å; R102-F115 HydrophobicContact CB-CD1 4.33Å; R102-F115 HydrophobicContact CB-CE1 3.77Å; R102-F115 HydrophobicContact CB-CZ 4.24Å; R102-F115 HydrophobicContact CG-CD1 3.64Å; R102-F115 HydrophobicContact CG-CE1 3.58Å; R102-F115 HydrophobicContact CG-CG 4.25Å; R102-F115 HydrophobicContact CG-CZ 4.17Å; F105-F115 HydrophobicContact CB-CE2 3.72Å; F105-F115 HydrophobicContact CB-CZ 4.04Å; E106-F115 HydrophobicContact CB-CB 4.44Å; E106-F115 HydrophobicContact CB-CD2 3.81Å; E106-F115 HydrophobicContact CB-CE2 4.28Å; E106-F115 HydrophobicContact CB-CG 4.17Å; E106-F115 HydrophobicContact CG-CB 4.07Å; E106-F115 HydrophobicContact CG-CD2 4.3Å; E106-F115 HydrophobicContact CG-CG 4.34Å; V109-F115 HydrophobicContact CG2-CD2 3.65Å; V109-F115 HydrophobicContact CG2-CE2 4.14Å; V113-F115 PolarHBondContact O-N 3.49Å; F115-Q117 VanDerWaalsContact C-N 3.27Å; F115-Q117 PolarHBondContact O-N 3.08Å; F115-H118 WeakPolarHBondContact O-CB 3.19Å; F115-H118 PolarHBondContact O-N 3.44Å; F115-L119 HydrophobicContact CD1-CD1 4.07Å; F115-L119 HydrophobicContact CD1-CG 4.36Å; F115-L119 HydrophobicContact CE1-CD1 3.37Å; F115-L119 HydrophobicContact CE1-CG 3.94Å; F115-L119 HydrophobicContact CE2-CD2 4.36Å; F115-L119 HydrophobicContact CE2-CG 4.39Å; F115-L119 HydrophobicContact CZ-CD1 3.66Å; F115-L119 HydrophobicContact CZ-CD2 4.08Å; F115-L119 HydrophobicContact CZ-CG 3.95Å; F115-L119 PolarHBondContact O-N 3.42Å
116P97.3Very high95.4Very high77 Ų7771.7 Ų71.750%0.540%0.399SS..Hα-helixtrans-62.2-32.8176-22.735000113.6P114 S120P114-P116 VanDerWaalsContact C-CD 3.45Å; P114-P116 VanDerWaalsContact C-N 3.34Å; P114-P116 VanDerWaalsContact O-N 3.16Å; P116-S120 WeakPolarHBondContact O-CB 3.32Å; P116-S120 PolarHBondContact O-N 3.05Å
117Q97.5Very high95.4Very high93 Ų9369.9 Ų69.944%0.43539%0.394SS..Hα-helixtrans-71.7-41176.6-173.562.14300111.1V113 P114 F115 L119 S120 N121V113-Q117 HydrophobicContact CG1-CB 4.23Å; V113-Q117 HydrophobicContact CG1-CG 4.35Å; P114-Q117 HydrophobicContact CB-CB 4.42Å; P114-Q117 WeakPolarHBondContact O-CA 3.43Å; P114-Q117 VanDerWaalsContact O-CB 3.29Å; P114-Q117 WeakPolarHBondContact O-CB 3.39Å; P114-Q117 PolarHBondContact O-N 2.76Å; F115-Q117 VanDerWaalsContact C-N 3.27Å; F115-Q117 PolarHBondContact O-N 3.08Å; Q117-L119 VanDerWaalsContact C-N 3.35Å; Q117-L119 PolarHBondContact O-N 3.35Å; Q117-S120 PolarHBondContact O-N 3.07Å; Q117-N121 PolarHBondContact NE2-OD1 3.5Å; Q117-N121 WeakPolarHBondContact O-CB 3.33Å; Q117-N121 PolarHBondContact O-N 3.03Å; Q117-N121 PolarHBondContact O-ND2 3.38Å; Q117-N121 PolarHBondContact O-OD1 3.29Å
118H97.3Very high95.5Very high41 Ų4170.6 Ų70.619%0.1939%0.387CS..Hα-helixtrans-55.4-49.8172.6177.564.3000111.4V109 V113 P114 F115 S120 N121 L122 D132V109-H118 HydrophobicContact CG1-CB 3.65Å; V109-H118 HydrophobicContact CG2-CB 4.12Å; V109-H118 WeakPolarHBondContact CG2-CD2 3.14Å; V113-H118 HydrophobicContact CG1-CB 4.1Å; P114-H118 PolarHBondContact O-N 3.01Å; F115-H118 WeakPolarHBondContact O-CB 3.19Å; F115-H118 PolarHBondContact O-N 3.44Å; H118-S120 PolarHBondContact O-N 3.17Å; H118-N121 PolarHBondContact O-N 3.5Å; H118-L122 WeakPolarHBondContact O-CB 3.41Å; H118-L122 PolarHBondContact O-N 3.41Å; H118-D132 IonicContact CD2-OD2 3.84Å; H118-D132 IonicContact CE1-OD2 3.48Å; H118-D132 IonicContact NE2-OD2 3.76Å; H118-D132 PolarHBondContact NE2-OD2 2.83Å
119L97.9Very high95.7Very high12 Ų1264.2 Ų64.26%0.06336%0.361CS..Hα-helixtrans-64.5-39.6177.8-66.4-169.4000113.1V95 M98 M99 F115 Q117 N121 L122 A123V95-L119 HydrophobicContact CG1-CB 4.11Å; V95-L119 HydrophobicContact CG1-CD2 4.43Å; M98-L119 HydrophobicContact CB-CD1 4.46Å; M98-L119 HydrophobicContact CB-CD2 3.63Å; M98-L119 HydrophobicContact CE-CD2 3.85Å; M98-L119 HydrophobicContact CG-CD2 4.41Å; M98-L119 HydrophobicContact SD-CD2 3.96Å; M99-L119 HydrophobicContact CB-CD1 3.74Å; M99-L119 HydrophobicContact CG-CD1 4.29Å; F115-L119 HydrophobicContact CD1-CD1 4.07Å; F115-L119 HydrophobicContact CD1-CG 4.36Å; F115-L119 HydrophobicContact CE1-CD1 3.37Å; F115-L119 HydrophobicContact CE1-CG 3.94Å; F115-L119 HydrophobicContact CE2-CD2 4.36Å; F115-L119 HydrophobicContact CE2-CG 4.39Å; F115-L119 HydrophobicContact CZ-CD1 3.66Å; F115-L119 HydrophobicContact CZ-CD2 4.08Å; F115-L119 HydrophobicContact CZ-CG 3.95Å; F115-L119 PolarHBondContact O-N 3.42Å; Q117-L119 VanDerWaalsContact C-N 3.35Å; Q117-L119 PolarHBondContact O-N 3.35Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.14Å; L119-L122 PolarHBondContact O-N 2.85Å; L119-A123 WeakPolarHBondContact O-CB 3.48Å; L119-A123 PolarHBondContact O-N 2.93Å
120S98Very high95.7Very high60 Ų6064.9 Ų64.942%0.4237%0.371SS..Hα-helixtrans-60.2-43.2174.8-1750000111.6P116 Q117 H118P116-S120 WeakPolarHBondContact O-CB 3.32Å; P116-S120 PolarHBondContact O-N 3.05Å; Q117-S120 PolarHBondContact O-N 3.07Å; H118-S120 PolarHBondContact O-N 3.17Å
121N97.3Very high96Very high57 Ų5763.6 Ų63.631%0.30537%0.369SS..Hα-helixtrans-65.5-47.5175.5-65.7-14000111.1Q117 H118 L119 A123 Q124 T127Q117-N121 PolarHBondContact NE2-OD1 3.5Å; Q117-N121 WeakPolarHBondContact O-CB 3.33Å; Q117-N121 PolarHBondContact O-N 3.03Å; Q117-N121 PolarHBondContact O-ND2 3.38Å; Q117-N121 PolarHBondContact O-OD1 3.29Å; H118-N121 PolarHBondContact O-N 3.5Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.14Å; N121-A123 VanDerWaalsContact C-N 3.27Å; N121-A123 PolarHBondContact O-N 2.75Å; N121-Q124 WeakPolarHBondContact O-CB 3.43Å; N121-Q124 PolarHBondContact O-N 3.31Å; N121-Q124 VanDerWaalsContact O-N 3.1Å; N121-T127 WeakPolarHBondContact O-CB 3.45Å; N121-T127 WeakPolarHBondContact O-CG2 3.43Å; N121-T127 PolarHBondContact O-OG1 3.49Å
122L97.8Very high96.5Very high4 Ų456.2 Ų56.22%0.02133%0.329CS..Hα-helixtrans-63.5-31.2-179.5-17760.9000112.6R91 V95 M98 H118 L119 Q124 A129 A133R91-L122 VanDerWaalsContact CD-O 3.31Å; R91-L122 WeakPolarHBondContact CD-O 3.46Å; R91-L122 PolarHBondContact NH1-O 2.94Å; V95-L122 HydrophobicContact CG2-CB 4.15Å; V95-L122 HydrophobicContact CG2-CD2 3.99Å; V95-L122 HydrophobicContact CG2-CG 3.8Å; M98-L122 HydrophobicContact CE-CD2 4.13Å; M98-L122 HydrophobicContact SD-CD2 3.54Å; M98-L122 VanDerWaalsContact SD-CD2 3.54Å; H118-L122 WeakPolarHBondContact O-CB 3.41Å; H118-L122 PolarHBondContact O-N 3.41Å; L119-L122 PolarHBondContact O-N 2.85Å; L122-Q124 PolarHBondContact O-N 2.83Å; L122-A129 HydrophobicContact CD1-CB 3.67Å; L122-A133 HydrophobicContact CD2-CB 4.33Å
123A98.2Very high96.8Very high24 Ų2449.9 Ų49.920%0.19830%0.295CS..Hα-helixtrans-67-22.9175.600000113.3R91 Q92 V95 L119 N121R91-A123 WeakPolarHBondContact CD-O 3.37Å; Q92-A123 PolarHBondContact NE2-O 3.34Å; V95-A123 HydrophobicContact CG1-CB 4.26Å; V95-A123 HydrophobicContact CG2-CB 4.25Å; L119-A123 WeakPolarHBondContact O-CB 3.48Å; L119-A123 PolarHBondContact O-N 2.93Å; N121-A123 VanDerWaalsContact C-N 3.27Å; N121-A123 PolarHBondContact O-N 2.75Å
124Q98.3Very high97.1Very high111 Ų11148.2 Ų48.252%0.51929%0.285SS..SBendtrans-70.9136.6179.8-64.6176.14.700111.1R91 N121 L122 G126 T127R91-Q124 PolarHBondContact NH1-O 3.28Å; N121-Q124 WeakPolarHBondContact O-CB 3.43Å; N121-Q124 PolarHBondContact O-N 3.31Å; N121-Q124 VanDerWaalsContact O-N 3.1Å; L122-Q124 PolarHBondContact O-N 2.83Å; Q124-G126 PolarHBondContact O-N 2.9Å; Q124-T127 PolarHBondContact O-N 3.21Å; Q124-T127 PolarHBondContact O-OG1 3.37Å
125S98Very high97.1Very high77 Ų7745.8 Ų45.854%0.53827%0.268SS..THydrogen-bonded Turntrans-61.4135.3172.8-177.70000110.1N70 T127N70-S125 PolarHBondContact ND2-OG 2.82Å; S125-T127 VanDerWaalsContact C-N 3.3Å; S125-T127 PolarHBondContact O-N 3.41Å
126G96.8Very high97.2Very high32 Ų3245.4 Ų45.433%0.3327%0.267SS..THydrogen-bonded Turntrans82.1-0.4-179.500000115G69 N70 Q124 F128G69-G126 VanDerWaalsContact CA-O 3.31Å; G69-G126 WeakPolarHBondContact CA-O 3.26Å; N70-G126 PolarHBondContact OD1-N 3.38Å; Q124-G126 PolarHBondContact O-N 2.9Å; G126-F128 PolarHBondContact O-N 3.09Å
127T97.6Very high97.3Very high40 Ų4041.8 Ų41.825%0.24524%0.243CC..  trans-74.9123.7167.9-58.10000109.9G69 R91 N121 Q124 S125G69-T127 CarbonylContact O-C 3.58Å; R91-T127 PolarHBondContact NH1-O 3.4Å; R91-T127 PolarHBondContact NH2-O 3.01Å; N121-T127 WeakPolarHBondContact O-CB 3.45Å; N121-T127 WeakPolarHBondContact O-CG2 3.43Å; N121-T127 PolarHBondContact O-OG1 3.49Å; Q124-T127 PolarHBondContact O-N 3.21Å; Q124-T127 PolarHBondContact O-OG1 3.37Å; S125-T127 VanDerWaalsContact C-N 3.3Å; S125-T127 PolarHBondContact O-N 3.41Å
128F95.9Very high97.3Very high117 Ų11737.3 Ų37.351%0.51322%0.222SC..  trans-59.7136.6174.2-72.8-95.5000110.5G126 D176G126-F128 PolarHBondContact O-N 3.09Å; F128-D176 HydrophobicContact CD1-CB 4.39Å
129A95.9Very high97.3Very high12 Ų1239.8 Ų39.810%0.09923%0.23CC..  trans-112.2141.5-176.200000110.1L72 F73 L122 A133L72-A129 HydrophobicContact CB-CB 4.45Å; L72-A129 HydrophobicContact CD2-CB 3.58Å; F73-A129 HydrophobicContact CE2-CB 3.76Å; F73-A129 HydrophobicContact CZ-CB 4.11Å; L122-A129 HydrophobicContact CD1-CB 3.67Å; A129-A133 HydrophobicContact CB-CB 3.84Å
130G92.4Very high97.3Very high30 Ų3041.1 Ų41.131%0.30924%0.24SC..  trans-99.7-165.1-176.900000113.8D132 A133 I134G130-D132 VanDerWaalsContact C-N 3.29Å; G130-D132 VanDerWaalsContact C-OD1 3.29Å; G130-D132 WeakPolarHBondContact CA-OD1 3.39Å; G130-D132 PolarHBondContact O-N 2.76Å; G130-A133 WeakPolarHBondContact O-CB 3.31Å; G130-A133 PolarHBondContact O-N 2.88Å; G130-I134 PolarHBondContact O-N 2.64Å
131N95.6Very high97.2Very high108 Ų10840.8 Ų40.858%0.57823%0.232SC*.Hα-helixtrans-64.3-33.6-179.2-64.1-20.1000112.6A133 I134 V135N131-A133 VanDerWaalsContact C-N 3.3Å; N131-A133 PolarHBondContact O-N 2.88Å; N131-I134 WeakPolarHBondContact O-CB 3.46Å; N131-I134 PolarHBondContact O-N 2.84Å; N131-I134 VanDerWaalsContact O-N 3.08Å; N131-V135 WeakPolarHBondContact O-CG2 3.26Å; N131-V135 PolarHBondContact O-N 2.81Å
132D96.5Very high97.2Very high22 Ų2244.4 Ų44.412%0.11825%0.247CC..Hα-helixtrans-56.2-43.5174.762.5-35.5000111.7M98 F108 H118 G130 I134 V135 A136M98-D132 HydrophobicContact CE-CB 4.2Å; M98-D132 VanDerWaalsContact CE-OD2 3.25Å; M98-D132 WeakPolarHBondContact CE-OD2 3.5Å; F108-D132 HydrophobicContact CB-CB 4.42Å; H118-D132 IonicContact CD2-OD2 3.84Å; H118-D132 IonicContact CE1-OD2 3.48Å; H118-D132 IonicContact NE2-OD2 3.76Å; H118-D132 PolarHBondContact NE2-OD2 2.83Å; G130-D132 VanDerWaalsContact C-N 3.29Å; G130-D132 VanDerWaalsContact C-OD1 3.29Å; G130-D132 WeakPolarHBondContact CA-OD1 3.39Å; G130-D132 PolarHBondContact O-N 2.76Å; D132-I134 VanDerWaalsContact C-N 3.33Å; D132-I134 PolarHBondContact O-N 3.27Å; D132-V135 PolarHBondContact O-N 3.18Å; D132-A136 WeakPolarHBondContact O-CB 3.42Å; D132-A136 PolarHBondContact O-N 2.83Å
133A98.1Very high97.1Very high0 Ų044.4 Ų44.40%025%0.247CC..Hα-helixtrans-66-34.1175.700000112.3L72 F73 T94 L122 A129 G130 N131 F137L72-A133 HydrophobicContact CD2-CB 4.14Å; F73-A133 HydrophobicContact CZ-CB 4.34Å; T94-A133 HydrophobicContact CG2-CB 4.23Å; T94-A133 WeakPolarHBondContact CG2-O 3.48Å; L122-A133 HydrophobicContact CD2-CB 4.33Å; A129-A133 HydrophobicContact CB-CB 3.84Å; G130-A133 WeakPolarHBondContact O-CB 3.31Å; G130-A133 PolarHBondContact O-N 2.88Å; N131-A133 VanDerWaalsContact C-N 3.3Å; N131-A133 PolarHBondContact O-N 2.88Å; A133-F137 WeakPolarHBondContact O-CB 3.47Å; A133-F137 PolarHBondContact O-N 2.99Å
134I98.3Very high97Very high0 Ų044.5 Ų44.50%024%0.243CC..Hα-helixtrans-67.7-44.7175.6-52.7176.5000110.3L72 G130 N131 D132 F137 A138 V145 I147 I157 I170 Y178L72-I134 HydrophobicContact CD1-CD1 4.06Å; L72-I134 HydrophobicContact CD1-CG1 3.84Å; L72-I134 HydrophobicContact CD2-CG1 3.82Å; L72-I134 HydrophobicContact CG-CG1 4.46Å; G130-I134 PolarHBondContact O-N 2.64Å; N131-I134 WeakPolarHBondContact O-CB 3.46Å; N131-I134 PolarHBondContact O-N 2.84Å; N131-I134 VanDerWaalsContact O-N 3.08Å; D132-I134 VanDerWaalsContact C-N 3.33Å; D132-I134 PolarHBondContact O-N 3.27Å; I134-F137 PolarHBondContact O-N 2.89Å; I134-A138 VanDerWaalsContact O-CB 3.28Å; I134-A138 WeakPolarHBondContact O-CB 3.48Å; I134-A138 PolarHBondContact O-N 2.81Å; I134-V145 HydrophobicContact CG2-CB 4.01Å; I134-V145 HydrophobicContact CG2-CG1 3.78Å; I134-V145 HydrophobicContact CG2-CG2 4.25Å; I134-I147 HydrophobicContact CD1-CD1 3.79Å; I134-I157 HydrophobicContact CB-CD1 3.97Å; I134-I157 HydrophobicContact CG2-CD1 3.55Å; I134-I170 HydrophobicContact CD1-CD1 4.35Å; I134-Y178 HydrophobicContact CD1-CE1 3.96Å
135V98Very high97Very high37 Ų3739.2 Ų39.222%0.22422%0.218CC..Hα-helixtrans-61.3-47.3176174.80000110.7F105 N131 D132 A138 R139 I157F105-V135 HydrophobicContact CE1-CB 4.33Å; F105-V135 HydrophobicContact CE1-CG1 4.09Å; F105-V135 HydrophobicContact CZ-CG1 4.44Å; N131-V135 WeakPolarHBondContact O-CG2 3.26Å; N131-V135 PolarHBondContact O-N 2.81Å; D132-V135 PolarHBondContact O-N 3.18Å; V135-A138 PolarHBondContact O-N 2.84Å; V135-R139 WeakPolarHBondContact O-CB 3.2Å; V135-R139 WeakPolarHBondContact O-CG 3.5Å; V135-R139 PolarHBondContact O-N 3.31Å; V135-I157 HydrophobicContact CB-CG2 4.43Å; V135-I157 HydrophobicContact CG2-CD1 4.34Å; V135-I157 HydrophobicContact CG2-CG2 3.91Å
136A98.4Very high96.9Very high0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-60.9-45.4176.900000112.3T94 Y97 M98 F105 D132 R139 S140T94-A136 HydrophobicContact CG2-CB 3.71Å; Y97-A136 HydrophobicContact CD1-CB 4.14Å; M98-A136 HydrophobicContact CG-CB 3.34Å; M98-A136 HydrophobicContact SD-CB 3.94Å; F105-A136 HydrophobicContact CD1-CB 4.36Å; F105-A136 HydrophobicContact CE1-CB 3.55Å; F105-A136 HydrophobicContact CE2-CB 4.39Å; F105-A136 HydrophobicContact CZ-CB 3.57Å; D132-A136 WeakPolarHBondContact O-CB 3.42Å; D132-A136 PolarHBondContact O-N 2.83Å; A136-R139 PolarHBondContact O-N 3.47Å; A136-S140 WeakPolarHBondContact O-CB 3.43Å; A136-S140 PolarHBondContact O-N 3.33Å
137F98.6Very high97Very high0 Ų034.6 Ų34.60%018%0.18CC..Hα-helixtrans-61.2-48.4176.2178.7-86.2000111.6L76 L80 L90 T94 A133 I134 R139 S140 Q141 V143 V145 L168L76-F137 HydrophobicContact CB-CE1 4.06Å; L76-F137 HydrophobicContact CB-CE2 4.06Å; L76-F137 HydrophobicContact CB-CZ 3.78Å; L76-F137 HydrophobicContact CD1-CB 4.19Å; L76-F137 HydrophobicContact CD1-CD1 3.81Å; L76-F137 HydrophobicContact CD1-CD2 3.96Å; L76-F137 HydrophobicContact CD1-CE1 4.16Å; L76-F137 HydrophobicContact CD1-CE2 4.27Å; L76-F137 HydrophobicContact CD1-CG 3.71Å; L76-F137 HydrophobicContact CD1-CZ 4.37Å; L76-F137 HydrophobicContact CD2-CD1 3.96Å; L76-F137 HydrophobicContact CD2-CE1 3.84Å; L76-F137 HydrophobicContact CD2-CZ 4.43Å; L76-F137 HydrophobicContact CG-CD1 4.33Å; L76-F137 HydrophobicContact CG-CE1 4.24Å; L76-F137 HydrophobicContact CG-CZ 4.42Å; L80-F137 HydrophobicContact CD2-CZ 4.05Å; L90-F137 HydrophobicContact CB-CE2 4.18Å; L90-F137 HydrophobicContact CD1-CE2 4.16Å; L90-F137 HydrophobicContact CD2-CE2 4.07Å; L90-F137 HydrophobicContact CG-CE2 4.35Å; T94-F137 HydrophobicContact CG2-CB 4.48Å; A133-F137 WeakPolarHBondContact O-CB 3.47Å; A133-F137 PolarHBondContact O-N 2.99Å; I134-F137 PolarHBondContact O-N 2.89Å; F137-R139 VanDerWaalsContact C-N 3.33Å; F137-R139 PolarHBondContact O-N 2.91Å; F137-S140 PolarHBondContact O-N 2.96Å; F137-Q141 HydrophobicContact CD1-CG 4.34Å; F137-Q141 HydrophobicContact CD2-CG 4.15Å; F137-Q141 HydrophobicContact CE1-CB 4.37Å; F137-Q141 HydrophobicContact CE1-CG 4.03Å; F137-Q141 HydrophobicContact CE2-CG 3.85Å; F137-Q141 HydrophobicContact CG-CG 4.4Å; F137-Q141 HydrophobicContact CZ-CG 3.79Å; F137-Q141 WeakPolarHBondContact O-CB 3.32Å; F137-Q141 WeakPolarHBondContact O-CG 3.25Å; F137-Q141 PolarHBondContact O-N 3.3Å; F137-V143 HydrophobicContact CD1-CG2 4.41Å; F137-V143 HydrophobicContact CE1-CG2 4.13Å; F137-V145 HydrophobicContact CD1-CG2 4.44Å; F137-L168 HydrophobicContact CE1-CD1 3.76Å; F137-L168 HydrophobicContact CZ-CD1 4.36Å
138A98.1Very high96.9Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-57.8-47.7-179.200000110.9I134 V135 Q142 V143 V145 I157 G159I134-A138 VanDerWaalsContact O-CB 3.28Å; I134-A138 WeakPolarHBondContact O-CB 3.48Å; I134-A138 PolarHBondContact O-N 2.81Å; V135-A138 PolarHBondContact O-N 2.84Å; A138-Q142 WeakPolarHBondContact O-CA 3.34Å; A138-Q142 PolarHBondContact O-N 3.44Å; A138-V143 PolarHBondContact O-N 2.95Å; A138-V145 HydrophobicContact CB-CG2 3.96Å; A138-I157 HydrophobicContact CB-CG2 3.92Å; A138-G159 VanDerWaalsContact C-CA 3.44Å; A138-G159 WeakPolarHBondContact O-CA 3.5Å
139R97.3Very high96.9Very high93 Ų9330.7 Ų30.735%0.35116%0.16SC..Hα-helixtrans-65.9-45.1178.1-68.6179.2177.8-1730.6112.5Y97 D104 V135 A136 F137 Q141 Q142Y97-R139 HydrophobicContact CE1-CB 3.75Å; Y97-R139 HydrophobicContact CE2-CB 4.42Å; Y97-R139 WeakPolarHBondContact OH-CB 3.33Å; D104-R139 IonicContact OD2-NH1 3.08Å; D104-R139 PolarHBondContact OD2-NH1 2.92Å; D104-R139 VanDerWaalsContact OD2-NH1 3.08Å; V135-R139 WeakPolarHBondContact O-CB 3.2Å; V135-R139 WeakPolarHBondContact O-CG 3.5Å; V135-R139 PolarHBondContact O-N 3.31Å; A136-R139 PolarHBondContact O-N 3.47Å; F137-R139 VanDerWaalsContact C-N 3.33Å; F137-R139 PolarHBondContact O-N 2.91Å; R139-Q141 PolarHBondContact O-N 3.32Å; R139-Q142 PolarHBondContact O-N 3.36Å
140S97.5Very high96.9Very high39 Ų3933.5 Ų33.527%0.27317%0.173SC..Hα-helixtrans-59.9-45.1178.9-177.10000112.3A136 F137A136-S140 WeakPolarHBondContact O-CB 3.43Å; A136-S140 PolarHBondContact O-N 3.33Å; F137-S140 PolarHBondContact O-N 2.96Å
141Q97.3Very high96.9Very high53 Ų5334.6 Ų34.625%0.24817%0.172CC..Hα-helixtrans-89.6-2-177.5-58.1-63-37.400113.4L80 E93 F137 R139 V143L80-Q141 HydrophobicContact CD2-CG 4.28Å; E93-Q141 PolarHBondContact OE2-NE2 3.33Å; F137-Q141 HydrophobicContact CD1-CG 4.34Å; F137-Q141 HydrophobicContact CD2-CG 4.15Å; F137-Q141 HydrophobicContact CE1-CB 4.37Å; F137-Q141 HydrophobicContact CE1-CG 4.03Å; F137-Q141 HydrophobicContact CE2-CG 3.85Å; F137-Q141 HydrophobicContact CG-CG 4.4Å; F137-Q141 HydrophobicContact CZ-CG 3.79Å; F137-Q141 WeakPolarHBondContact O-CB 3.32Å; F137-Q141 WeakPolarHBondContact O-CG 3.25Å; F137-Q141 PolarHBondContact O-N 3.3Å; R139-Q141 PolarHBondContact O-N 3.32Å; Q141-V143 HydrophobicContact CB-CG1 4.19Å; Q141-V143 HydrophobicContact CB-CG2 4.12Å; Q141-V143 WeakPolarHBondContact O-CG1 3.07Å; Q141-V143 PolarHBondContact O-N 3.14Å
142Q96.2Very high96.8Very high133 Ų13330.7 Ų30.762%0.62116%0.155SC*.THydrogen-bonded Turntrans51.650.6-175.9-57.6-175.8-15.500113A138 R139 V160A138-Q142 WeakPolarHBondContact O-CA 3.34Å; A138-Q142 PolarHBondContact O-N 3.44Å; R139-Q142 PolarHBondContact O-N 3.36Å; Q142-V160 HydrophobicContact CB-CG1 4.3Å; Q142-V160 HydrophobicContact CB-CG2 3.98Å; Q142-V160 WeakPolarHBondContact O-CG2 3.39Å
143V96.1Very high96.6Very high4 Ų432.7 Ų32.72%0.02417%0.169CC..EExtended strand (participates in β ladder)trans-123162.4179.7-61.40000111.6L80 F137 A138 Q141 V145 G159 R166 L168L80-V143 HydrophobicContact CD1-CG1 4.31Å; F137-V143 HydrophobicContact CD1-CG2 4.41Å; F137-V143 HydrophobicContact CE1-CG2 4.13Å; A138-V143 PolarHBondContact O-N 2.95Å; Q141-V143 HydrophobicContact CB-CG1 4.19Å; Q141-V143 HydrophobicContact CB-CG2 4.12Å; Q141-V143 WeakPolarHBondContact O-CG1 3.07Å; Q141-V143 PolarHBondContact O-N 3.14Å; V143-V145 HydrophobicContact CG2-CG2 4.18Å; V143-G159 VanDerWaalsContact O-CA 3.29Å; V143-G159 WeakPolarHBondContact O-CA 3.28Å; V143-G159 PolarHBondContact O-N 3.42Å; V143-R166 WeakPolarHBondContact CA-O 3.37Å; V143-R166 WeakPolarHBondContact CB-O 3.37Å; V143-R166 HydrophobicContact CG1-CB 4.19Å; V143-L168 HydrophobicContact CB-CD1 4.33Å; V143-L168 HydrophobicContact CB-CG 4.24Å; V143-L168 HydrophobicContact CG1-CD1 4.43Å; V143-L168 HydrophobicContact CG1-CG 4.49Å; V143-L168 HydrophobicContact CG2-CD1 3.84Å; V143-L168 HydrophobicContact CG2-CG 4.2Å
144K96.3Very high96.4Very high26 Ų2635.9 Ų35.911%0.11319%0.186CC..EExtended strand (participates in β ladder)trans-92.9134.7162.3-178-172.8-57.9-1800108.9V146 E156 I157 N158 R166 E167 L168K144-V146 HydrophobicContact CD-CG2 4.23Å; K144-V146 HydrophobicContact CG-CG2 4.39Å; K144-E156 IonicContact NZ-OE2 3.29Å; K144-I157 CarbonylContact C-O 3.54Å; K144-I157 WeakPolarHBondContact CA-O 3.37Å; K144-N158 WeakPolarHBondContact CE-OD1 3.39Å; K144-N158 WeakPolarHBondContact CG-OD1 3.42Å; K144-R166 PolarHBondContact N-O 3.48Å; K144-E167 HydrophobicContact CB-CG 4.26Å; K144-E167 HydrophobicContact CD-CG 4.09Å; K144-E167 WeakPolarHBondContact CD-OE1 3.06Å; K144-E167 WeakPolarHBondContact CE-OE1 3.49Å; K144-E167 IonicContact NZ-OE1 3.75Å; K144-E167 PolarHBondContact NZ-OE1 3.02Å; K144-E167 CarbonylContact O-C 3.57Å; K144-E167 WeakPolarHBondContact O-CA 3.45Å; K144-L168 PolarHBondContact O-N 3.2Å
145V97.6Very high96.3Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-110.8126.4172.1-176.90000109.5L76 I134 F137 A138 V143 I147 I157 L168 I170L76-V145 HydrophobicContact CD2-CG1 4.21Å; L76-V145 HydrophobicContact CD2-CG2 4.21Å; I134-V145 HydrophobicContact CG2-CB 4.01Å; I134-V145 HydrophobicContact CG2-CG1 3.78Å; I134-V145 HydrophobicContact CG2-CG2 4.25Å; F137-V145 HydrophobicContact CD1-CG2 4.44Å; A138-V145 HydrophobicContact CB-CG2 3.96Å; V143-V145 HydrophobicContact CG2-CG2 4.18Å; V145-I147 HydrophobicContact CG1-CG1 4.37Å; V145-I157 HydrophobicContact CB-CB 4.48Å; V145-I157 PolarHBondContact N-O 3.2Å; V145-I157 PolarHBondContact O-N 3.16Å; V145-L168 CarbonylContact C-O 3.58Å; V145-L168 WeakPolarHBondContact CA-O 3.37Å; V145-I170 HydrophobicContact CG1-CD1 3.79Å; V145-I170 HydrophobicContact CG1-CG1 3.96Å
146V97.1Very high96.1Very high0 Ų045.3 Ų45.30%022%0.221CC..EExtended strand (participates in β ladder)trans-109.3124.5-179.6177.50000108.3K144 L154 W155 E156 L168 H169 I170 I196K144-V146 HydrophobicContact CD-CG2 4.23Å; K144-V146 HydrophobicContact CG-CG2 4.39Å; V146-L154 HydrophobicContact CG1-CD1 3.52Å; V146-L154 HydrophobicContact CG1-CD2 3.76Å; V146-L154 HydrophobicContact CG1-CG 3.67Å; V146-W155 CarbonylContact C-O 3.43Å; V146-W155 WeakPolarHBondContact CA-O 3.38Å; V146-E156 HydrophobicContact CG2-CG 4.49Å; V146-L168 PolarHBondContact N-O 3.33Å; V146-H169 WeakPolarHBondContact O-CA 3.39Å; V146-I170 PolarHBondContact O-N 2.99Å; V146-I196 HydrophobicContact CB-CD1 4.23Å; V146-I196 HydrophobicContact CG1-CD1 3.71Å; V146-I196 HydrophobicContact CG1-CG1 4.41Å; V146-I196 HydrophobicContact CG2-CD1 3.48Å; V146-I196 VanDerWaalsContact CG2-CD1 3.48Å; V146-I196 HydrophobicContact CG2-CG1 4.31Å
147I97.6Very high96Very high13 Ų1346.9 Ų46.97%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-111114.9-177.2-47.8177.7000109.9I134 V145 W155 I157 I170I134-I147 HydrophobicContact CD1-CD1 3.79Å; V145-I147 HydrophobicContact CG1-CG1 4.37Å; I147-W155 HydrophobicContact CB-CB 4.19Å; I147-W155 PolarHBondContact N-O 3.36Å; I147-W155 PolarHBondContact O-N 3.02Å; I147-I157 HydrophobicContact CD1-CD1 4Å; I147-I170 WeakPolarHBondContact CA-O 3.46Å; I147-I170 HydrophobicContact CB-CG1 4.47Å; I147-I170 HydrophobicContact CG1-CD1 4.13Å; I147-I170 HydrophobicContact CG1-CG1 3.98Å; I147-I170 HydrophobicContact CG2-CG1 4.48Å
148H97.1Very high95.8Very high5 Ų551.2 Ų51.22%0.02325%0.253CS..EExtended strand (participates in β ladder)trans-88.3135.3174.9-66.6-101000110F51 L55 L154 H169 I170 A171 Y172 V181F51-H148 HydrophobicContact CE2-CB 4.02Å; F51-H148 HydrophobicContact CZ-CB 3.72Å; L55-H148 HydrophobicContact CD2-CB 4.1Å; H148-L154 VanDerWaalsContact CE1-CD1 3.5Å; H148-L154 WeakPolarHBondContact CE1-CD1 3.4Å; H148-H169 AromaticContact CE1-ND1 3.98Å; H148-H169 AromaticContact NE2-CG 3.92Å; H148-H169 AromaticContact NE2-ND1 3.09Å; H148-H169 PolarHBondContact NE2-ND1 3.43Å; H148-I170 PolarHBondContact N-O 2.93Å; H148-A171 CarbonylContact O-C 3.56Å; H148-A171 WeakPolarHBondContact O-CA 3.19Å; H148-Y172 PolarHBondContact O-N 3.21Å; H148-V181 HydrophobicContact CB-CG2 4.48Å
149Q96.3Very high95.6Very high69 Ų6951.8 Ų51.832%0.32226%0.259SS..  trans-142.5143.8172.5178.7178.912.600109.5Q54 N151 A152 Y172Q54-Q149 PolarHBondContact NE2-O 3.33Å; Q149-N151 PolarHBondContact O-N 3.3Å; Q149-A152 HydrophobicContact CB-CB 3.84Å; Q149-A152 HydrophobicContact CG-CB 3.82Å; Q149-A152 PolarHBondContact O-N 3.31Å; Q149-Y172 HydrophobicContact CG-CD1 4.48Å
150L95Very high95.3Very high71 Ų7148.9 Ų48.937%0.37225%0.251SS..THydrogen-bonded Turntrans-59.2124.2-177.4176.259.4000111.1F51 A152F51-L150 HydrophobicContact CB-CB 4.12Å; F51-L150 HydrophobicContact CB-CD1 4.22Å; F51-L150 HydrophobicContact CB-CD2 4.46Å; F51-L150 HydrophobicContact CD2-CB 3.91Å; F51-L150 HydrophobicContact CD2-CD1 4.49Å; F51-L150 HydrophobicContact CG-CB 4.2Å; L150-A152 PolarHBondContact O-N 2.85Å
151N93.1Very high94.4Very high54 Ų5456.8 Ų56.829%0.28928%0.284SS..THydrogen-bonded Turntrans52.727.5177.6-54.7-36000113.6E47 Y48 Q149E47-N151 HydrophobicContact CG-CB 4.01Å; E47-N151 WeakPolarHBondContact CG-ND2 3.49Å; E47-N151 PolarHBondContact OE1-ND2 3.27Å; E47-N151 VanDerWaalsContact OE1-ND2 3.08Å; Y48-N151 WeakPolarHBondContact CB-OD1 3.45Å; Y48-N151 PolarHBondContact N-OD1 3.39Å; Y48-N151 PolarHBondContact O-ND2 3Å; Q149-N151 PolarHBondContact O-N 3.3Å
152A93.1Very high93.5Very high25 Ų2561.7 Ų61.721%0.20730%0.304CS..SBendtrans-117.9154.3175.700000109.8Q149 L150Q149-A152 HydrophobicContact CB-CB 3.84Å; Q149-A152 HydrophobicContact CG-CB 3.82Å; Q149-A152 PolarHBondContact O-N 3.31Å; L150-A152 PolarHBondContact O-N 2.85Å
153P92.9Very high92.3Very high65 Ų6564.9 Ų64.942%0.42232%0.319SS..PPolyproline II helixtrans-54.5152.3171.3-23.834.5000111.5W155P153-W155 PolarHBondContact O-NE1 3.42Å
154L93.4Very high91.3Very high66 Ų6669.2 Ų69.235%0.34636%0.355SS..PPolyproline II helixtrans-73.1128.9172.5-16466.4000109.2V146 H148 I196V146-L154 HydrophobicContact CG1-CD1 3.52Å; V146-L154 HydrophobicContact CG1-CD2 3.76Å; V146-L154 HydrophobicContact CG1-CG 3.67Å; H148-L154 VanDerWaalsContact CE1-CD1 3.5Å; H148-L154 WeakPolarHBondContact CE1-CD1 3.4Å; L154-I196 HydrophobicContact CD2-CD1 3.49Å; L154-I196 VanDerWaalsContact CD2-CD1 3.49Å; L154-I196 HydrophobicContact CD2-CG1 4.15Å; L154-I196 HydrophobicContact CD2-CG2 4.4Å
155W95Very high90.8Very high144 Ų14469.4 Ų69.455%0.54536%0.36SS..EExtended strand (participates in β ladder)trans-101.4137.4176.7-5493.5000110.3V146 I147 P153V146-W155 CarbonylContact C-O 3.43Å; V146-W155 WeakPolarHBondContact CA-O 3.38Å; I147-W155 HydrophobicContact CB-CB 4.19Å; I147-W155 PolarHBondContact N-O 3.36Å; I147-W155 PolarHBondContact O-N 3.02Å; P153-W155 PolarHBondContact O-NE1 3.42Å
156E95Very high90.5Very high91 Ų9173.4 Ų73.443%0.42538%0.375SS..EExtended strand (participates in β ladder)trans-124130.9179.3-63.3-174-161.200110.4K144 V146K144-E156 IonicContact NZ-OE2 3.29Å; V146-E156 HydrophobicContact CG2-CG 4.49Å
157I95.6Very high90.4Very high33 Ų3374.2 Ų74.217%0.16938%0.379CS..EExtended strand (participates in β ladder)trans-118.7113.1175-64.9171.4000107.6I134 V135 A138 K144 V145 I147I134-I157 HydrophobicContact CB-CD1 3.97Å; I134-I157 HydrophobicContact CG2-CD1 3.55Å; V135-I157 HydrophobicContact CB-CG2 4.43Å; V135-I157 HydrophobicContact CG2-CD1 4.34Å; V135-I157 HydrophobicContact CG2-CG2 3.91Å; A138-I157 HydrophobicContact CB-CG2 3.92Å; K144-I157 CarbonylContact C-O 3.54Å; K144-I157 WeakPolarHBondContact CA-O 3.37Å; V145-I157 HydrophobicContact CB-CB 4.48Å; V145-I157 PolarHBondContact N-O 3.2Å; V145-I157 PolarHBondContact O-N 3.16Å; I147-I157 HydrophobicContact CD1-CD1 4Å
158N95.1Very high90.4Very high91 Ų9173.6 Ų73.649%0.48738%0.375SS..EExtended strand (participates in β ladder)trans-91.9116-179.2-65.6-53.1000110.4K144 V160K144-N158 WeakPolarHBondContact CE-OD1 3.39Å; K144-N158 WeakPolarHBondContact CG-OD1 3.42Å; N158-V160 VanDerWaalsContact C-N 3.35Å
159G94Very high90.4Very high13 Ų1373.3 Ų73.313%0.13437%0.374CS..SBendtrans-86.3-5.1172.200000114.6A138 V143A138-G159 VanDerWaalsContact C-CA 3.44Å; A138-G159 WeakPolarHBondContact O-CA 3.5Å; V143-G159 VanDerWaalsContact O-CA 3.29Å; V143-G159 WeakPolarHBondContact O-CA 3.28Å; V143-G159 PolarHBondContact O-N 3.42Å
160V89.5Confident90.5Very high31 Ų3170 Ų7019%0.18836%0.359CS..  trans-140.2144.6-176.3-134.70000109Q142 N158 K162 C165Q142-V160 HydrophobicContact CB-CG1 4.3Å; Q142-V160 HydrophobicContact CB-CG2 3.98Å; Q142-V160 WeakPolarHBondContact O-CG2 3.39Å; N158-V160 VanDerWaalsContact C-N 3.35Å; V160-K162 HydrophobicContact CG1-CB 4.41Å; V160-K162 HydrophobicContact CG1-CG 4.43Å; V160-K162 PolarHBondContact O-N 2.77Å; V160-C165 HydrophobicContact CB-CB 4.34Å; V160-C165 HydrophobicContact CG2-CB 3.56Å
161E79.6Confident90.7Very high205 Ų20566.7 Ų66.796%0.95834%0.341SS*.SBendtrans-76.2-13.5173.5-65.3178.5176.800112.6
162K78.8Confident90.9Very high156 Ų15667.1 Ų67.168%0.67834%0.339SS*.SBendtrans-75.8139.5-179-64.4179.7-179175.50111.3V160 A164V160-K162 HydrophobicContact CG1-CB 4.41Å; V160-K162 HydrophobicContact CG1-CG 4.43Å; V160-K162 PolarHBondContact O-N 2.77Å; K162-A164 VanDerWaalsContact C-N 3.31Å; K162-A164 PolarHBondContact O-N 3.38Å
163Q69.6Low90.8Very high200 Ų20068.3 Ų68.394%0.93534%0.339SS*.SBendtrans-66.8-28.6178.3-68.5-177.1-11.700113.7
164A76.4Confident90.3Very high95 Ų9573.4 Ų73.479%0.78535%0.351SS*.SBendtrans-107.695.2177.900000110.2K162K162-A164 VanDerWaalsContact C-N 3.31Å; K162-A164 PolarHBondContact O-N 3.38Å
165C85.3Confident89.7Confident30 Ų3073.4 Ų73.420%0.20337%0.366CS..  trans-132.4165.6169.568.50000110V160 E167V160-C165 HydrophobicContact CB-CB 4.34Å; V160-C165 HydrophobicContact CG2-CB 3.56Å; C165-E167 PolarHBondContact O-N 3.34Å
166R91.6Very high89.3Confident85 Ų8570.7 Ų70.732%0.32136%0.362SS..EExtended strand (participates in β ladder)trans-69.5132179.4-175.3174.5-178-154-13.8109.8Q79 L80 V143 K144 L168 A192Q79-R166 PolarHBondContact O-NH2 3.48Å; L80-R166 PolarHBondContact O-NH1 2.92Å; L80-R166 PolarHBondContact O-NH2 2.66Å; V143-R166 WeakPolarHBondContact CA-O 3.37Å; V143-R166 WeakPolarHBondContact CB-O 3.37Å; V143-R166 HydrophobicContact CG1-CB 4.19Å; K144-R166 PolarHBondContact N-O 3.48Å; R166-L168 HydrophobicContact CG-CD2 4.13Å; R166-A192 PolarHBondContact NH2-O 3.33Å
167E94.6Very high89.4Confident16 Ų1667.3 Ų67.38%0.07535%0.347CS..EExtended strand (participates in β ladder)trans-99.6127.6177.5-51.5-167.7152.800110.6K144 C165 H169 R195 I196K144-E167 HydrophobicContact CB-CG 4.26Å; K144-E167 HydrophobicContact CD-CG 4.09Å; K144-E167 WeakPolarHBondContact CD-OE1 3.06Å; K144-E167 WeakPolarHBondContact CE-OE1 3.49Å; K144-E167 IonicContact NZ-OE1 3.75Å; K144-E167 PolarHBondContact NZ-OE1 3.02Å; K144-E167 CarbonylContact O-C 3.57Å; K144-E167 WeakPolarHBondContact O-CA 3.45Å; C165-E167 PolarHBondContact O-N 3.34Å; E167-H169 IonicContact OE2-NE2 3.96Å; E167-R195 VanDerWaalsContact OE2-CA 3.22Å; E167-R195 WeakPolarHBondContact OE2-CA 3.48Å; E167-I196 PolarHBondContact OE2-N 3.42Å
168L97.5Very high89.5Confident0 Ų066.1 Ų66.10%034%0.34CS..EExtended strand (participates in β ladder)trans-110.5132.6174.6-51.2-172.9000108.9Q79 L80 F137 V143 K144 V145 V146 R166Q79-L168 HydrophobicContact CB-CB 3.89Å; Q79-L168 HydrophobicContact CB-CD1 4.23Å; Q79-L168 HydrophobicContact CB-CD2 3.98Å; Q79-L168 HydrophobicContact CB-CG 4.24Å; Q79-L168 HydrophobicContact CG-CB 4.28Å; L80-L168 HydrophobicContact CB-CD1 4.33Å; L80-L168 HydrophobicContact CD1-CD1 4.28Å; F137-L168 HydrophobicContact CE1-CD1 3.76Å; F137-L168 HydrophobicContact CZ-CD1 4.36Å; V143-L168 HydrophobicContact CB-CD1 4.33Å; V143-L168 HydrophobicContact CB-CG 4.24Å; V143-L168 HydrophobicContact CG1-CD1 4.43Å; V143-L168 HydrophobicContact CG1-CG 4.49Å; V143-L168 HydrophobicContact CG2-CD1 3.84Å; V143-L168 HydrophobicContact CG2-CG 4.2Å; K144-L168 PolarHBondContact O-N 3.2Å; V145-L168 CarbonylContact C-O 3.58Å; V145-L168 WeakPolarHBondContact CA-O 3.37Å; V146-L168 PolarHBondContact N-O 3.33Å; R166-L168 HydrophobicContact CG-CD2 4.13Å
169H98Very high89.6Confident0 Ų061.8 Ų61.80%032%0.317CS..EExtended strand (participates in β ladder)trans-112.4122.2-177.4-67.5-131.8000110.4Q79 V146 H148 E167 V181 L194 I196Q79-H169 WeakPolarHBondContact CG-O 3.45Å; Q79-H169 PolarHBondContact NE2-O 2.89Å; Q79-H169 PolarHBondContact OE1-O 2.97Å; V146-H169 WeakPolarHBondContact O-CA 3.39Å; H148-H169 AromaticContact CE1-ND1 3.98Å; H148-H169 AromaticContact NE2-CG 3.92Å; H148-H169 AromaticContact NE2-ND1 3.09Å; H148-H169 PolarHBondContact NE2-ND1 3.43Å; E167-H169 IonicContact OE2-NE2 3.96Å; H169-V181 HydrophobicContact CB-CB 3.83Å; H169-V181 HydrophobicContact CB-CG1 4.21Å; H169-V181 PolarHBondContact O-N 2.93Å; H169-L194 HydrophobicContact CB-CD1 3.68Å; H169-L194 VanDerWaalsContact CD2-CB 3.5Å; H169-L194 WeakPolarHBondContact CD2-CB 3.44Å; H169-I196 VanDerWaalsContact CE1-CG1 3.48Å; H169-I196 WeakPolarHBondContact CE1-CG1 3.48Å
170I98.4Very high89.8Confident0 Ų061.2 Ų61.20%031%0.31CS..EExtended strand (participates in β ladder)trans-124163.4174.763176.2000110.1L72 A75 L76 Q79 I134 V145 V146 I147 H148 Y178 D179L72-I170 HydrophobicContact CD1-CD1 3.95Å; A75-I170 HydrophobicContact CB-CG2 4.04Å; L76-I170 HydrophobicContact CD2-CD1 4.36Å; L76-I170 HydrophobicContact CD2-CG2 4.05Å; Q79-I170 HydrophobicContact CG-CG2 4.29Å; I134-I170 HydrophobicContact CD1-CD1 4.35Å; V145-I170 HydrophobicContact CG1-CD1 3.79Å; V145-I170 HydrophobicContact CG1-CG1 3.96Å; V146-I170 PolarHBondContact O-N 2.99Å; I147-I170 WeakPolarHBondContact CA-O 3.46Å; I147-I170 HydrophobicContact CB-CG1 4.47Å; I147-I170 HydrophobicContact CG1-CD1 4.13Å; I147-I170 HydrophobicContact CG1-CG1 3.98Å; I147-I170 HydrophobicContact CG2-CG1 4.48Å; H148-I170 PolarHBondContact N-O 2.93Å; I170-Y178 HydrophobicContact CD1-CD1 3.82Å; I170-Y178 HydrophobicContact CD1-CE1 4.15Å; I170-Y178 HydrophobicContact CG1-CD1 4.45Å; I170-D179 CarbonylContact C-O 3.09Å; I170-D179 WeakPolarHBondContact CA-O 3.5Å
171A98Very high90.2Very high0 Ų059.7 Ų59.70%030%0.302CS..EExtended strand (participates in β ladder)trans-121.1124.1-178.200000109.8F51 L62 H148 Y178 D179 V181F51-A171 HydrophobicContact CE1-CB 3.54Å; F51-A171 HydrophobicContact CZ-CB 3.74Å; L62-A171 HydrophobicContact CD2-CB 3.42Å; L62-A171 VanDerWaalsContact CD2-CB 3.42Å; H148-A171 CarbonylContact O-C 3.56Å; H148-A171 WeakPolarHBondContact O-CA 3.19Å; A171-Y178 VanDerWaalsContact O-CA 3.25Å; A171-Y178 WeakPolarHBondContact O-CA 3.49Å; A171-D179 HydrophobicContact CB-CB 4.29Å; A171-D179 PolarHBondContact N-O 3.39Å; A171-D179 PolarHBondContact O-N 3.33Å; A171-V181 HydrophobicContact CB-CG2 3.55Å
172Y97.4Very high91Very high64 Ų6450 Ų5025%0.25126%0.256SS..EExtended strand (participates in β ladder)trans-90.5122.5171.6-179.8-106000110.1H148 Q149 D176 Y178H148-Y172 PolarHBondContact O-N 3.21Å; Q149-Y172 HydrophobicContact CG-CD1 4.48Å; Y172-D176 PolarHBondContact OH-OD1 2.9Å; Y172-Y178 HydrophobicContact CD2-CD1 4.25Å; Y172-Y178 AromaticContact CD2-CE1 3.63Å; Y172-Y178 HydrophobicContact CD2-CE1 3.63Å; Y172-Y178 HydrophobicContact CD2-CE2 4.07Å; Y172-Y178 AromaticContact CD2-CZ 3.53Å; Y172-Y178 HydrophobicContact CE2-CE2 4.38Å; Y172-Y178 HydrophobicContact CG-CE1 4.3Å
173R91Very high91.9Very high50 Ų5047 Ų4719%0.18924%0.24CC..EExtended strand (participates in β ladder)trans-125.1173-178.1-61.8176.474.7-175.91.9109.9F51 E64 H177 D179F51-R173 HydrophobicContact CD1-CG 4.31Å; F51-R173 HydrophobicContact CE1-CG 4.12Å; E64-R173 IonicContact OE1-CZ 2.84Å; E64-R173 IonicContact OE1-NH1 2.83Å; E64-R173 PolarHBondContact OE1-NH1 3.48Å; E64-R173 IonicContact OE1-NH2 3.7Å; R173-H177 PolarHBondContact N-O 2.97Å; R173-H177 PolarHBondContact O-N 3.08Å; R173-D179 WeakPolarHBondContact CD-OD2 3.34Å; R173-D179 IonicContact CZ-OD2 2.81Å; R173-D179 IonicContact NE-OD2 3.58Å; R173-D179 IonicContact NH1-OD2 3.09Å; R173-D179 PolarHBondContact NH1-OD2 3.49Å
174Y83.4Confident93Very high172 Ų17241.5 Ų41.568%0.67522%0.22SC*.THydrogen-bonded Turntrans-42.9139.3-177.145.4-96.1000113.6
175G79.8Confident93.8Very high65 Ų6539.8 Ų39.867%0.6721%0.212SC*.THydrogen-bonded Turntrans65.539.6170.500000114.6H177G175-H177 VanDerWaalsContact C-N 3.26Å; G175-H177 PolarHBondContact O-N 3.27Å
176D86.3Confident94.1Very high87 Ų8740.1 Ų40.147%0.46521%0.212SC..THydrogen-bonded Turntrans62.229.2177.6-54.5-38000115.1F128 Y172F128-D176 HydrophobicContact CD1-CB 4.39Å; Y172-D176 PolarHBondContact OH-OD1 2.9Å
177H96.4Very high94.1Very high21 Ų2142.1 Ų42.110%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-91134.2176.8-173.966000111.6V65 R173 G175 D179V65-H177 PolarHBondContact O-CE1 3.49Å; R173-H177 PolarHBondContact N-O 2.97Å; R173-H177 PolarHBondContact O-N 3.08Å; G175-H177 VanDerWaalsContact C-N 3.26Å; G175-H177 PolarHBondContact O-N 3.27Å; H177-D179 IonicContact CD2-OD1 3.79Å; H177-D179 IonicContact CD2-OD2 2.85Å; H177-D179 PolarHBondContact CD2-OD2 3.16Å; H177-D179 IonicContact CE1-OD1 3.41Å; H177-D179 VanDerWaalsContact NE2-CG 3.27Å; H177-D179 IonicContact NE2-OD1 2.92Å; H177-D179 PolarHBondContact NE2-OD1 3.15Å; H177-D179 IonicContact NE2-OD2 3.61Å; H177-D179 PolarHBondContact NE2-OD2 3.09Å
178Y98.1Very high94.1Very high8 Ų843.3 Ų43.33%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-115.3135.5175-67.5-89.4000111.2V65 L72 I134 I170 A171 Y172V65-Y178 WeakPolarHBondContact CG2-O 3.47Å; L72-Y178 HydrophobicContact CB-CD2 3.93Å; L72-Y178 HydrophobicContact CB-CE2 4.46Å; L72-Y178 HydrophobicContact CB-CG 4.39Å; L72-Y178 HydrophobicContact CD1-CD1 4.01Å; L72-Y178 HydrophobicContact CD1-CD2 3.93Å; L72-Y178 HydrophobicContact CD1-CE1 4.24Å; L72-Y178 HydrophobicContact CD1-CE2 4.18Å; L72-Y178 HydrophobicContact CD1-CG 3.82Å; L72-Y178 HydrophobicContact CG-CD2 4.47Å; I134-Y178 HydrophobicContact CD1-CE1 3.96Å; I170-Y178 HydrophobicContact CD1-CD1 3.82Å; I170-Y178 HydrophobicContact CD1-CE1 4.15Å; I170-Y178 HydrophobicContact CG1-CD1 4.45Å; A171-Y178 VanDerWaalsContact O-CA 3.25Å; A171-Y178 WeakPolarHBondContact O-CA 3.49Å; Y172-Y178 HydrophobicContact CD2-CD1 4.25Å; Y172-Y178 AromaticContact CD2-CE1 3.63Å; Y172-Y178 HydrophobicContact CD2-CE1 3.63Å; Y172-Y178 HydrophobicContact CD2-CE2 4.07Å; Y172-Y178 AromaticContact CD2-CZ 3.53Å; Y172-Y178 HydrophobicContact CE2-CE2 4.38Å; Y172-Y178 HydrophobicContact CG-CE1 4.3Å
179D98.1Very high94Very high0 Ų049.5 Ų49.50%027%0.268CS..EExtended strand (participates in β ladder)trans-118.7160171-74.1-47000111.2L62 E64 V65 I170 A171 R173 H177L62-D179 HydrophobicContact CD2-CB 3.97Å; E64-D179 VanDerWaalsContact CA-OD1 3.28Å; E64-D179 WeakPolarHBondContact CA-OD1 3.4Å; V65-D179 PolarHBondContact N-OD1 3.34Å; I170-D179 CarbonylContact C-O 3.09Å; I170-D179 WeakPolarHBondContact CA-O 3.5Å; A171-D179 HydrophobicContact CB-CB 4.29Å; A171-D179 PolarHBondContact N-O 3.39Å; A171-D179 PolarHBondContact O-N 3.33Å; R173-D179 WeakPolarHBondContact CD-OD2 3.34Å; R173-D179 IonicContact CZ-OD2 2.81Å; R173-D179 IonicContact NE-OD2 3.58Å; R173-D179 IonicContact NH1-OD2 3.09Å; R173-D179 PolarHBondContact NH1-OD2 3.49Å; H177-D179 IonicContact CD2-OD1 3.79Å; H177-D179 IonicContact CD2-OD2 2.85Å; H177-D179 PolarHBondContact CD2-OD2 3.16Å; H177-D179 IonicContact CE1-OD1 3.41Å; H177-D179 VanDerWaalsContact NE2-CG 3.27Å; H177-D179 IonicContact NE2-OD1 2.92Å; H177-D179 PolarHBondContact NE2-OD1 3.15Å; H177-D179 IonicContact NE2-OD2 3.61Å; H177-D179 PolarHBondContact NE2-OD2 3.09Å
180S98.2Very high93.9Very high0 Ų052.1 Ų52.10%029%0.286CS..EExtended strand (participates in β ladder)trans-79.7142.4172.3176.40000110.3R63 D78 Q79R63-S180 PolarHBondContact N-O 2.95Å; R63-S180 PolarHBondContact O-N 3.43Å; D78-S180 VanDerWaalsContact OD2-CB 3.32Å; D78-S180 WeakPolarHBondContact OD2-CB 3.47Å; D78-S180 PolarHBondContact OD2-OG 3.06Å; Q79-S180 PolarHBondContact NE2-OG 3.3Å
181V97.9Very high93.8Very high0 Ų054.8 Ų54.80%030%0.304CS..EExtended strand (participates in β ladder)trans-112.5123.7175.4177.80000109.3L55 L60 K61 L62 Q79 H148 H169 A171 L194L55-V181 HydrophobicContact CD1-CG2 4.47Å; L55-V181 HydrophobicContact CD2-CG1 3.94Å; L55-V181 HydrophobicContact CD2-CG2 4.46Å; L60-V181 HydrophobicContact CB-CG1 3.88Å; L60-V181 HydrophobicContact CD1-CG1 3.8Å; L60-V181 HydrophobicContact CG-CG1 4.3Å; K61-V181 WeakPolarHBondContact O-CA 3.43Å; L62-V181 HydrophobicContact CD2-CG2 4.15Å; Q79-V181 PolarHBondContact NE2-O 3.27Å; H148-V181 HydrophobicContact CB-CG2 4.48Å; H169-V181 HydrophobicContact CB-CB 3.83Å; H169-V181 HydrophobicContact CB-CG1 4.21Å; H169-V181 PolarHBondContact O-N 2.93Å; A171-V181 HydrophobicContact CB-CG2 3.55Å; V181-L194 WeakPolarHBondContact O-CD1 3.49Å
182R97Very high93.7Very high0 Ų054.8 Ų54.80%030%0.304CS..EExtended strand (participates in β ladder)trans-126.5165.2-176.5-69.7-151.1172.5-139.64.5112.5L60 K61 R63 D78 G82 D186 S188 S190L60-R182 CarbonylContact C-O 3.54Å; L60-R182 WeakPolarHBondContact CA-O 3.45Å; K61-R182 PolarHBondContact N-O 3.39Å; K61-R182 PolarHBondContact O-N 2.88Å; R63-R182 VanDerWaalsContact CZ-CZ 3.47Å; R63-R182 VanDerWaalsContact NH1-NH2 3.17Å; D78-R182 PolarHBondContact O-NH2 2.83Å; D78-R182 IonicContact OD1-CZ 3.6Å; D78-R182 IonicContact OD1-NE 3.42Å; D78-R182 IonicContact OD1-NH2 3.4Å; D78-R182 PolarHBondContact OD1-NH2 2.95Å; D78-R182 IonicContact OD2-CZ 2.8Å; D78-R182 IonicContact OD2-NE 3.28Å; D78-R182 PolarHBondContact OD2-NE 3.35Å; D78-R182 IonicContact OD2-NH2 2.69Å; D78-R182 PolarHBondContact OD2-NH2 3.34Å; D78-R182 VanDerWaalsContact OD2-NH2 3.09Å; G82-R182 VanDerWaalsContact CA-NH2 3.3Å; G82-R182 PolarHBondContact O-NH2 3.03Å; R182-D186 WeakPolarHBondContact CD-OD2 3.32Å; R182-D186 IonicContact CZ-OD2 2.77Å; R182-D186 IonicContact NH1-OD1 3.64Å; R182-D186 IonicContact NH1-OD2 3.38Å; R182-D186 PolarHBondContact NH1-OD2 3.22Å; R182-S188 PolarHBondContact NH1-O 2.89Å; R182-S190 PolarHBondContact NH1-O 2.98Å; R182-S190 PolarHBondContact NH2-O 3.41Å
183R95.9Very high93.3Very high93 Ų9359.5 Ų59.535%0.35133%0.328SS..EExtended strand (participates in β ladder)trans-60.3144168.6-65.8-169.8178.3-88.9-0.1110.2K61 G185 D186 Q193 L194K61-R183 WeakPolarHBondContact CE-O 3.45Å; R183-G185 PolarHBondContact O-N 3.43Å; R183-D186 HydrophobicContact CB-CB 4.28Å; R183-D186 WeakPolarHBondContact O-CB 3.43Å; R183-D186 PolarHBondContact O-N 2.81Å; R183-D186 VanDerWaalsContact O-N 3.08Å; R183-Q193 PolarHBondContact NE-O 3.19Å; R183-Q193 VanDerWaalsContact NE-O 3.07Å; R183-L194 HydrophobicContact CB-CD2 4.46Å; R183-L194 HydrophobicContact CG-CD2 3.26Å; R183-L194 HydrophobicContact CG-CG 4.4Å
184V94.1Very high93.2Very high85 Ų8557.4 Ų57.452%0.51532%0.321SS..THydrogen-bonded Turntrans-55.5136.4167.1173.50000108.7G59 L60 K61 D186G59-V184 WeakPolarHBondContact O-CG2 3.36Å; G59-V184 PolarHBondContact O-N 3.29Å; L60-V184 WeakPolarHBondContact O-CG2 3.03Å; K61-V184 HydrophobicContact CB-CG2 4.32Å; V184-D186 VanDerWaalsContact C-N 3.29Å; V184-D186 PolarHBondContact O-N 3.26Å
185G91.8Very high93.2Very high60 Ų6056.3 Ų56.362%0.61932%0.315SS*.THydrogen-bonded Turntrans84.7-18.9-175.400000115.6R183 N187R183-G185 PolarHBondContact O-N 3.43Å; G185-N187 PolarHBondContact O-N 2.76Å; G185-N187 VanDerWaalsContact O-N 3.11Å
186D93.4Very high92.8Very high36 Ų3654 Ų5419%0.19329%0.287CS..  trans-78.2101.9178.3-179.116.8000111.6K61 R63 R182 R183 V184 S188K61-D186 WeakPolarHBondContact CE-O 3.39Å; K61-D186 PolarHBondContact NZ-O 3.15Å; R63-D186 PolarHBondContact NH2-O 3.04Å; R182-D186 WeakPolarHBondContact CD-OD2 3.32Å; R182-D186 IonicContact CZ-OD2 2.77Å; R182-D186 IonicContact NH1-OD1 3.64Å; R182-D186 IonicContact NH1-OD2 3.38Å; R182-D186 PolarHBondContact NH1-OD2 3.22Å; R183-D186 HydrophobicContact CB-CB 4.28Å; R183-D186 WeakPolarHBondContact O-CB 3.43Å; R183-D186 PolarHBondContact O-N 2.81Å; R183-D186 VanDerWaalsContact O-N 3.08Å; V184-D186 VanDerWaalsContact C-N 3.29Å; V184-D186 PolarHBondContact O-N 3.26Å; D186-S188 WeakPolarHBondContact OD1-CB 3.5Å; D186-S188 PolarHBondContact OD1-N 3.02Å; D186-S188 PolarHBondContact OD1-OG 3.03Å
187N91.6Very high91.8Very high128 Ų12856 Ų5668%0.68429%0.294SS*.  trans-110.712.5172.1-65.2-42000112K61 R63 G185K61-N187 PolarHBondContact NZ-OD1 3Å; R63-N187 VanDerWaalsContact NH2-C 3.29Å; G185-N187 PolarHBondContact O-N 2.76Å; G185-N187 VanDerWaalsContact O-N 3.11Å
188S94.6Very high89.9Confident40 Ų4058.2 Ų58.228%0.2831%0.309SS..  trans-71.2155.6-177.4710000111.6R63 R182 D186 S190R63-S188 PolarHBondContact NH1-O 3.38Å; R63-S188 PolarHBondContact NH2-O 3.33Å; R182-S188 PolarHBondContact NH1-O 2.89Å; D186-S188 WeakPolarHBondContact OD1-CB 3.5Å; D186-S188 PolarHBondContact OD1-N 3.02Å; D186-S188 PolarHBondContact OD1-OG 3.03Å; S188-S190 PolarHBondContact O-N 3.06Å; S188-S190 PolarHBondContact OG-N 3.08Å; S188-S190 PolarHBondContact OG-OG 2.95Å
189E95.2Very high87.9Confident130 Ų13058.4 Ų58.461%0.60731%0.31SS*.SBendtrans-86.622.5163.4-60.5-162.7161.800111.5G82 R85G82-E189 WeakPolarHBondContact CA-O 3.3Å; G82-E189 CarbonylContact O-C 3.56Å; G82-E189 WeakPolarHBondContact O-CA 3.46Å; R85-E189 IonicContact CZ-OE2 3.29Å; R85-E189 IonicContact NH2-OE2 3.69Å; R85-E189 PolarHBondContact NH2-OE2 3.18Å
190S96Very high85.9Confident55 Ų5564.4 Ų64.439%0.38534%0.339SS..SBendtrans-92.4153.5177.577.20000111.1G82 R182 S188 A192G82-S190 WeakPolarHBondContact CA-O 3.45Å; R182-S190 PolarHBondContact NH1-O 2.98Å; R182-S190 PolarHBondContact NH2-O 3.41Å; S188-S190 PolarHBondContact O-N 3.06Å; S188-S190 PolarHBondContact OG-N 3.08Å; S188-S190 PolarHBondContact OG-OG 2.95Å; S190-A192 PolarHBondContact O-N 2.85Å
191P96.5Very high83.4Confident56 Ų5669.3 Ų69.336%0.36437%0.365SS..PPolyproline II helixtrans-49.5135.5174.8-28.635.8000112.2L80L80-P191 WeakPolarHBondContact O-CB 3.42Å
192A94.6Very high80.9Confident1 Ų171.8 Ų71.81%0.00838%0.382CS..PPolyproline II helixtrans-65.8139.6-179.600000111.6Q79 R166 S190Q79-A192 HydrophobicContact CB-CB 4.48Å; Q79-A192 PolarHBondContact O-N 3.4Å; R166-A192 PolarHBondContact NH2-O 3.33Å; S190-A192 PolarHBondContact O-N 2.85Å
193Q88.7Confident78.4Confident162 Ų16274.6 Ų74.676%0.75740%0.395SS*.  trans-124.283.9179.7-64.4-177.5-100110.4R183R183-Q193 PolarHBondContact NE-O 3.19Å; R183-Q193 VanDerWaalsContact NE-O 3.07Å
194L88.5Confident75.7Confident7 Ų773.8 Ų73.84%0.03740%0.404CS..BIsolated β-bridgetrans-120144.9179.3-70174.5000110.2L60 H169 V181 R183L60-L194 HydrophobicContact CD2-CD1 4.25Å; L60-L194 HydrophobicContact CD2-CD2 3.55Å; H169-L194 HydrophobicContact CB-CD1 3.68Å; H169-L194 VanDerWaalsContact CD2-CB 3.5Å; H169-L194 WeakPolarHBondContact CD2-CB 3.44Å; V181-L194 WeakPolarHBondContact O-CD1 3.49Å; R183-L194 HydrophobicContact CB-CD2 4.46Å; R183-L194 HydrophobicContact CG-CD2 3.26Å; R183-L194 HydrophobicContact CG-CG 4.4Å
195R83.7Confident72.9Confident149 Ų14977.4 Ų77.456%0.56242%0.415SS*.  trans-144125.8168.5-67.8-163.2-55.9177.43.3109.8E167 T198E167-R195 VanDerWaalsContact OE2-CA 3.22Å; E167-R195 WeakPolarHBondContact OE2-CA 3.48Å; R195-T198 PolarHBondContact O-N 2.91Å
196I72.8Confident70.5Confident15 Ų1581.8 Ų81.88%0.07742%0.42CS..Hα-helixtrans-63.6-42.1-175.1-66.5163.7000112.5V146 L154 E167 H169 T198 L199 Q200V146-I196 HydrophobicContact CB-CD1 4.23Å; V146-I196 HydrophobicContact CG1-CD1 3.71Å; V146-I196 HydrophobicContact CG1-CG1 4.41Å; V146-I196 HydrophobicContact CG2-CD1 3.48Å; V146-I196 VanDerWaalsContact CG2-CD1 3.48Å; V146-I196 HydrophobicContact CG2-CG1 4.31Å; L154-I196 HydrophobicContact CD2-CD1 3.49Å; L154-I196 VanDerWaalsContact CD2-CD1 3.49Å; L154-I196 HydrophobicContact CD2-CG1 4.15Å; L154-I196 HydrophobicContact CD2-CG2 4.4Å; E167-I196 PolarHBondContact OE2-N 3.42Å; H169-I196 VanDerWaalsContact CE1-CG1 3.48Å; H169-I196 WeakPolarHBondContact CE1-CG1 3.48Å; I196-T198 PolarHBondContact O-N 2.84Å; I196-T198 VanDerWaalsContact O-N 3.09Å; I196-L199 WeakPolarHBondContact O-CA 3.47Å; I196-L199 WeakPolarHBondContact O-CB 3.35Å; I196-L199 PolarHBondContact O-N 2.96Å; I196-Q200 HydrophobicContact CG2-CG 4.28Å; I196-Q200 PolarHBondContact O-N 3.46Å
197E64.7Low67.7Low131 Ų13189.9 Ų89.961%0.61245%0.447SS*.Hα-helixtrans-56.1-32.3-176.3-64.6173.5175.100112.5
198T56Low64.9Low66 Ų6689.8 Ų89.841%0.40545%0.451SS..Hα-helixtrans-74.8-26.1177.5-46.20000112.3R195 I196 S202R195-T198 PolarHBondContact O-N 2.91Å; I196-T198 PolarHBondContact O-N 2.84Å; I196-T198 VanDerWaalsContact O-N 3.09Å; T198-S202 PolarHBondContact O-OG 3.11Å
199L56.7Low61.9Low12 Ų1297.4 Ų97.46%0.06348%0.479CS..Hα-helixtrans-82.9-34.8-177.6-59.6175.6000112.6L58 L60 I196 S202 H203L58-L199 WeakPolarHBondContact O-CD2 3.32Å; L60-L199 HydrophobicContact CD1-CD1 4.08Å; L60-L199 HydrophobicContact CD2-CD1 4.06Å; L60-L199 HydrophobicContact CG-CD1 4.3Å; I196-L199 WeakPolarHBondContact O-CA 3.47Å; I196-L199 WeakPolarHBondContact O-CB 3.35Å; I196-L199 PolarHBondContact O-N 2.96Å; L199-S202 WeakPolarHBondContact CA-OG 3.3Å; L199-S202 PolarHBondContact O-OG 2.77Å; L199-H203 PolarHBondContact O-CD2 3.28Å; L199-H203 VanDerWaalsContact O-CD2 3.31Å
200Q55.3Low58.7Low127 Ų12794.2 Ų94.259%0.59348%0.482SS*.Hα-helixtrans-70.6-34175.2-68.3179.8-9.100111.9I196 H203 S204I196-Q200 HydrophobicContact CG2-CG 4.28Å; I196-Q200 PolarHBondContact O-N 3.46Å; Q200-H203 WeakPolarHBondContact O-CB 3.39Å; Q200-H203 PolarHBondContact O-N 3.17Å; Q200-S204 PolarHBondContact O-N 2.98Å
201N46.8Very low55.8Low102 Ų10299.7 Ų99.755%0.54551%0.507SS..Hα-helixtrans-71-27.6176-78.7-14.6000114H203 S204 Q205N201-H203 VanDerWaalsContact C-N 3.29Å; N201-S204 PolarHBondContact O-N 3.46Å; N201-S204 PolarHBondContact O-OG 3.32Å; N201-Q205 PolarHBondContact O-N 3.46Å
202S44.3Very low52.6Low53 Ų53100.6 Ų100.637%0.37153%0.527SS..Hα-helixtrans-68.3-29.517038.50000112.6T198 L199 Q206T198-S202 PolarHBondContact O-OG 3.11Å; L199-S202 WeakPolarHBondContact CA-OG 3.3Å; L199-S202 PolarHBondContact O-OG 2.77Å; S202-Q206 WeakPolarHBondContact O-CB 3.32Å; S202-Q206 PolarHBondContact O-N 3.3Å; S202-Q206 VanDerWaalsContact O-N 3.14Å
203H46.3Very low49.7Very low58 Ų58109.9 Ų109.927%0.26957%0.57SS.*Hα-helixtrans-72.4-29.5176.5-82.8-66.9000113.7A57 L58 L199 Q200 N201 R207A57-H203 PolarHBondContact O-CE1 2.99Å; A57-H203 PolarHBondContact O-NE2 3.37Å; A57-H203 VanDerWaalsContact O-NE2 3.16Å; L58-H203 WeakPolarHBondContact CD2-NE2 3.45Å; L199-H203 PolarHBondContact O-CD2 3.28Å; L199-H203 VanDerWaalsContact O-CD2 3.31Å; Q200-H203 WeakPolarHBondContact O-CB 3.39Å; Q200-H203 PolarHBondContact O-N 3.17Å; N201-H203 VanDerWaalsContact C-N 3.29Å; H203-R207 WeakPolarHBondContact O-CG 3.32Å
204S38.7Very low47.1Very low76 Ų76114.1 Ų114.153%0.53158%0.579SS.*Hα-helixtrans-76.8-31.6175.248.60000112.2Q200 N201Q200-S204 PolarHBondContact O-N 2.98Å; N201-S204 PolarHBondContact O-N 3.46Å; N201-S204 PolarHBondContact O-OG 3.32Å
205Q35.8Very low44.4Very low161 Ų161123.1 Ų123.175%0.75262%0.621SS**Hα-helixtrans-79.3-26.5177.1-69.3-175.92200113.8N201 R207N201-Q205 PolarHBondContact O-N 3.46Å; Q205-R207 VanDerWaalsContact C-N 3.35Å
206Q40.8Very low41.8Very low153 Ų153126.8 Ų126.872%0.71563%0.634SS**THydrogen-bonded Turntrans-87.40.1-177.2-149.115723.100114.3S202 V208S202-Q206 WeakPolarHBondContact O-CB 3.32Å; S202-Q206 PolarHBondContact O-N 3.3Å; S202-Q206 VanDerWaalsContact O-N 3.14Å; Q206-V208 VanDerWaalsContact C-N 3.31Å; Q206-V208 PolarHBondContact O-N 3.18Å
207R33.9Very low39.9Very low205 Ų205133.8 Ų133.877%0.77467%0.667SS**THydrogen-bonded Turntrans-85.211.2174.6-74.6-172.7-162.9-156.15.5114.7H203 Q205 F209H203-R207 WeakPolarHBondContact O-CG 3.32Å; Q205-R207 VanDerWaalsContact C-N 3.35Å; R207-F209 PolarHBondContact O-N 2.92Å
208V33.8Very low38.2Very low126 Ų126137.1 Ų137.176%0.76468%0.679SS**  trans-90.778.3166.4-170.80000108.5Q206 G210Q206-V208 VanDerWaalsContact C-N 3.31Å; Q206-V208 PolarHBondContact O-N 3.18Å; V208-G210 VanDerWaalsContact C-N 3.32Å; V208-G210 PolarHBondContact O-N 2.81Å; V208-G210 VanDerWaalsContact O-N 3.08Å
209F30Very low37.2Very low200 Ų200143.5 Ų143.588%0.87770%0.701SS**  trans-6997.6158.4-90.1-91.2000106.9R207 D211R207-F209 PolarHBondContact O-N 2.92Å; F209-D211 PolarHBondContact O-N 3.09Å
210G30Very low35.9Very low64 Ų64148.7 Ų148.766%0.6674%0.736SS**PPolyproline II helixtrans-68.1122.4171.100000109.9V208 G212V208-G210 VanDerWaalsContact C-N 3.32Å; V208-G210 PolarHBondContact O-N 2.81Å; V208-G210 VanDerWaalsContact O-N 3.08Å; G210-G212 PolarHBondContact O-N 3.26Å
211D33.3Very low34.6Very low169 Ų169150.5 Ų150.590%0.90475%0.749SS**PPolyproline II helixtrans-53.3132.4167.3-97.7-35.9000110.2F209 Q213F209-D211 PolarHBondContact O-N 3.09Å; D211-Q213 PolarHBondContact O-N 3.35Å
212G31.1Very low34.6Very low76 Ų76150.7 Ų150.778%0.78476%0.756SS**PPolyproline II helixtrans-68117.5-178.400000111.9G210G210-G212 PolarHBondContact O-N 3.26Å
213Q33.3Very low33.7Very low196 Ų196154.9 Ų154.992%0.91678%0.779SS**  trans-121120.2144.9-72.7-151.3-35.300110D211D211-Q213 PolarHBondContact O-N 3.35Å
214R33.9Very low32.7Very low250 Ų250156 Ų15694%0.94380%0.798SS**  trans-69.6121.9169.4-73.7172.5170.9179.2-2.6108.3
215E31Very low32.1Very low197 Ų197157.4 Ų157.492%0.92181%0.807SS**  trans-140.6149.5145.8-82.4-139.4142.700111.5
216R30.6Very low31.9Very low225 Ų225157.2 Ų157.285%0.84981%0.806SS**  trans-87.9145.3-161.5-86.4169.7155.3-176.1-6113
217Q32.2Very low31.5Very low162 Ų162158.7 Ų158.776%0.75781%0.813SS**  trans59.4119.1142.5-66.3-178.2-7.400120.5
218K29.5Very low31.5Very low201 Ų201156.9 Ų156.987%0.87481%0.813SS**  179.313498.4-99.9173.6178.91740111.3
219K33.9Very low31.3Very low200 Ų200157.1 Ų157.187%0.8781%0.81SS**  trans-73154.2161.4-67.2-178.6173.4-178.50109
220P30Very low31.3Very low122 Ų122153.2 Ų153.279%0.79280%0.803SS**  -144.7159.589.232.8-13.5000115.4
221L28.3Very low31.4Very low165 Ų165158 Ų15886%0.86481%0.811SS**  trans-118.3169.6148.4-116.295.8000105.9
222P45.3Very low31.1Very low105 Ų105157 Ų15768%0.68281%0.805SS**  cis-135.9-17814.534.3-12.6000113.6
223T26Very low31.1Very low142 Ų142157.9 Ų157.987%0.87180%0.799SS**  177.4154.8123.5-57.40000110.9
224A26.2Very low31Very low81 Ų81154.1 Ų154.167%0.66980%0.795SS**  trans-72.7177.7-16500000119.7
225C24.7Very low30.9Very low105 Ų105150.2 Ų150.271%0.70979%0.791SS**  trans72.1147.1158.2-73.60000116.9
226E32.1Very low31Very low157 Ų157149.4 Ų149.473%0.73478%0.784SS**  cis-172.9160.5-7.8-115.1164.6-169.300105.4
227E31.8Very low31.1Very low184 Ų184145 Ų14586%0.8678%0.778SS**  trans76.7138.9150.7-73.5-177.7169.900124.3
228E33.7Very low31.1Very low167 Ų167149.6 Ų149.678%0.7879%0.788SS**  trans-65.4149.9172.6-60.6174.3109.500113.2
229N29.8Very low31Very low131 Ų131143.3 Ų143.370%0.70178%0.781SS**  155132.7114.6-88.5-53.9000112.8
230V31Very low30.9Very low118 Ų118142.2 Ų142.272%0.71578%0.782SS**  trans63.9122.2140-1710000115.6
231I31.6Very low30.8Very low165 Ų165145.6 Ų145.685%0.84679%0.787SS**  -162.8132.295.6-82.7158000110.4
232L27.5Very low30.8Very low147 Ų147140.8 Ų140.877%0.7778%0.778SS**  trans-56140.7167.5-117.588000113.7
233S31.3Very low30.1Very low95 Ų95144 Ų14466%0.66479%0.789SS**  trans46124.4134.769.90000121.5
234S29.9Very low30.5Very low118 Ų118146 Ų14683%0.82579%0.789SS**  trans-160.3127.8140.7-77.40000105.7
235I33.3Very low30.8Very low167 Ų167150.7 Ų150.786%0.85680%0.797SS**  -149.1132.650.9-72.3165000110
236K32.3Very low31Very low180 Ų180152.5 Ų152.578%0.78380%0.799SS**  trans-87.4148.3165.4-120.7-179.3-179.81760109.6
237N32.2Very low30.8Very low134 Ų134152.4 Ų152.472%0.71780%0.803SS**  trans85.5110147.3-56.8-14.7000120
238R32.3Very low30.7Very low258 Ų258150.2 Ų150.297%0.97480%0.797SS**  -131.7124.1102.3-87.8-173.5-166.5-135.51.4109
239G27.5Very low30.3Very low69 Ų69149.6 Ų149.671%0.71179%0.794SS**  trans-100.4153165.800000110.5
240I32.2Very low30.4Very low177 Ų177151.2 Ų151.291%0.90880%0.802SS**  trans-138.1136.7150-67.6-161.7000107.1
241Q28.6Very low30.4Very low192 Ų192150.1 Ų150.190%0.89780%0.799SS**  trans-92.9161.5-179.7-77.7172.4-20.900112.4
242G28.6Very low30.1Very low64 Ų64146.8 Ų146.866%0.6680%0.796SS**  trans91.3133.716500000113.6
243D30.6Very low30.2Very low173 Ų173144.3 Ų144.393%0.92580%0.797SS**  cis-151167.326.4-75-35.4000113.5
244E34.3Very low30Very low183 Ų183145.3 Ų145.386%0.85580%0.799SS**  trans-80.1167.1-174.5-61.5-163.311300116.2
245E31.1Very low30.1Very low181 Ų181146 Ų14685%0.84679%0.792SS**  trans103.9120.9152-58.5-161136.300121.4
246N30.5Very low30.1Very low142 Ų142146.4 Ų146.476%0.75980%0.796SS**  trans74.1130.3156.3-107.9-13000117.7
247L27.2Very low30Very low155 Ų155142.1 Ų142.181%0.81279%0.794SS**  cis-158.6145.947.9-141.7119.8000111.3
248L29.6Very low29.9Very low139 Ų139144.4 Ų144.473%0.72880%0.8SS**  trans-56.2165168.4-81.1149.7000113.7
249Q25.1Very low29.7Very low154 Ų154143.7 Ų143.772%0.7280%0.798SS**  trans85.7113.7155.8-132.296.525.800115.9
250L30.8Very low29.8Very low165 Ų165148.2 Ų148.286%0.86481%0.805SS**  -172.296.5111.5-91.6161.9000109.7
251S31.3Very low29.7Very low95 Ų95144.9 Ų144.966%0.66480%0.804SS**  trans-85.9147.415454.70000109.6
252A26.8Very low29.7Very low95 Ų95139.7 Ų139.779%0.78580%0.802SS**  trans82.2145160.500000119.2
253A28.3Very low29.9Very low94 Ų94142 Ų14278%0.77781%0.808SS**  trans81.914115800000117.5
254T28.1Very low30Very low116 Ų116138.7 Ų138.771%0.71280%0.798SS**  cis-174.3146.7-1.4-89.50000109.1
255I31.6Very low29.8Very low133 Ų133138.2 Ų138.268%0.68280%0.801SS**  trans1.9140.6142.4-50.8166.8000117.7A257I255-A257 HydrophobicContact CG2-CB 4.05Å
256N33.3Very low29.8Very low175 Ų175132.8 Ų132.894%0.93679%0.793SS**  trans-118.5106.7148.7-83.1-30.8000110.4
257A30.1Very low30.1Very low90 Ų90135.2 Ų135.274%0.74480%0.8SS**  trans-133107.1162.400000106.1I255I255-A257 HydrophobicContact CG2-CB 4.05Å
258E29.3Very low30.3Very low182 Ų182134.7 Ų134.785%0.8580%0.797SS**  trans-124.4120.4171.5-109.6-177.4166.300106.8
259W29.4Very low30.5Very low243 Ų243134.3 Ų134.392%0.9281%0.805SS**  trans179.7100.1139-107.253.3000109.1
260L30Very low31.1Very low165 Ų165135.3 Ų135.386%0.86481%0.81SS**  trans160.4112.9131.2-87165.5000110.5
261A29.3Very low31.5Very low107 Ų107131 Ų13188%0.88481%0.805SS**  149.6136.6112.400000112.2
262G27.7Very low32Very low83 Ų83136.2 Ų136.286%0.85682%0.815SS**  trans157.494.9158.300000114.1
263S33.3Very low32.5Very low113 Ų113137.7 Ų137.779%0.7982%0.818SS**  trans-97.1139166-175.40000110.2
264S32.3Very low33.6Very low102 Ų102139.6 Ų139.671%0.71382%0.821SS**  trans60.8121.4149.4630000121.7
265L31.1Very low34.3Very low174 Ų174139.1 Ų139.191%0.91182%0.822SS**  -153.8138.6118.8-136.888.2000109.8
266G31.5Very low35.3Very low67 Ų67142.5 Ų142.569%0.69184%0.835SS**  trans-89164.7-179.300000113.8
267Q36.1Very low36.4Very low193 Ų193139.7 Ų139.790%0.90283%0.829SS**  trans-152.2108.6162.8-153.4149.8-14.700112.7
268L31.7Very low36.8Very low144 Ų144139.7 Ų139.775%0.75482%0.823SS**  trans14.5120.8139.2-15571.3000119Q270L268-Q270 HydrophobicContact CD2-CG 4.32Å
269C33.5Very low37.9Very low130 Ų130137.1 Ų137.188%0.87883%0.825SS**  trans-95121.4160.9480000110.7
270Q37.8Very low38.7Very low176 Ų176131.6 Ų131.682%0.82282%0.818SS**  trans-99.6128.7168.9-72-179.6-7.300109.3L268L268-Q270 HydrophobicContact CD2-CG 4.32Å
271G39.3Very low39.4Very low74 Ų74128.6 Ų128.676%0.76381%0.81SS**SBendtrans99103.5147.800000119.4
272K41.4Very low39.9Very low204 Ų204135.8 Ų135.889%0.88781%0.814SS**  trans51.492.6149.2-70.6-179.6176.91790119.2
273C38.4Very low40.3Very low126 Ų126136 Ų13685%0.85181%0.808SS**  trans-103.6119.5151.7-68.90000109.6
274T49.6Very low40.4Very low135 Ų135139.9 Ų139.983%0.82881%0.813SS**  trans-110.379.8169.449.50000108.7
275S44.6Very low40.3Very low105 Ų105139.2 Ų139.273%0.73481%0.814SS**SBendtrans-179.8135.7160.452.20000109.7S277S275-S277 PolarHBondContact O-N 3.3Å
276E52.3Low40.4Very low204 Ų204137.4 Ų137.495%0.95381%0.81SS**SBendtrans-67.990.8-176.6-65.4175.6144.100112.4
277S54.8Low40.3Very low117 Ų117141.3 Ų141.382%0.81882%0.815SS**  trans-172.667.3159.8169.90000110.3S275S275-S277 PolarHBondContact O-N 3.3Å
278C38.9Very low39.8Very low90 Ų90137.2 Ų137.261%0.60881%0.807SS**  trans-138.1118.9168.1-1720000109.9T280C278-T280 VanDerWaalsContact C-N 3.29Å; C278-T280 PolarHBondContact O-N 2.92Å
279S52.8Low39.8Very low128 Ų128135 Ų13590%0.89580%0.804SS**THydrogen-bonded Turntrans-86.617.8-170.354.80000114.6
280T45.8Very low39.7Very low127 Ų127136.7 Ų136.778%0.77980%0.798SS**THydrogen-bonded Turntrans-115.310.5-173.4-31.20000114.1C278C278-T280 VanDerWaalsContact C-N 3.29Å; C278-T280 PolarHBondContact O-N 2.92Å
281C45.5Very low39.4Very low102 Ų102136 Ų13669%0.68980%0.795SS**  trans-141.279.9-179.853.90000112.6
282R38.8Very low38.9Very low258 Ų258140.3 Ų140.397%0.97480%0.8SS**  trans-158.5101.3150.8-140.1171.8173.3170.7-2.8110.7
283A37.4Very low38.3Very low87 Ų87140.1 Ų140.172%0.71980%0.799SS**  trans-121.8128.8166.700000108.9
284E34.7Very low38.2Very low195 Ų195140.2 Ų140.291%0.91180%0.799SS**  trans70.4127143.1-61.2-177.6159.700122.1
285A30.8Very low37.1Very low87 Ų87137.1 Ų137.172%0.71979%0.794SS**  trans-179.9102.9142.300000108.6
286T32.3Very low36.5Very low137 Ų137141.8 Ų141.884%0.8480%0.804SS**  70116.1101.750.90000116.6
287D29.9Very low35.6Very low149 Ų149135.6 Ų135.680%0.79780%0.795SS**  150.5145.195.1-15018.4000116.8
288C26Very low34.6Very low106 Ų106135.5 Ų135.572%0.71679%0.794SS**  trans31.7130.4154-77.20000128.5
289S31.5Very low34.4Very low99 Ų99138 Ų13869%0.69280%0.802SS**  90.9124.7126.5-142.80000125.2
290E30.1Very low33.7Very low164 Ų164138.3 Ų138.377%0.76680%0.797SS**  trans85.4113.9139.2-85.7172.9160.500126.2
291H31.5Very low33.4Very low163 Ų163139.9 Ų139.976%0.75580%0.796SS**  trans58.1109.8133.7-79.655.8000122.4
292N28.8Very low33.3Very low164 Ų164144.1 Ų144.188%0.87780%0.803SS**  -175.9136.2116-96.9-46.4000112
293K29.3Very low33.5Very low199 Ų199137.9 Ų137.987%0.86580%0.796SS**  trans-96.8170.4162.8-82.3-169.4-179.6-176.80108.3
294P37.7Very low34.2Very low129 Ų129143.4 Ų143.484%0.83880%0.804SS**  cis-135.8176.611.435.3-14.5000115.4
295G26.4Very low35.3Very low70 Ų70138.5 Ų138.572%0.72278%0.783SS**  trans147.596.915700000116.6
296E30.7Very low37.1Very low202 Ų202137.5 Ų137.594%0.94477%0.771SS**  trans53.3116145.8-61-172.1127.700122.5
297G34.7Very low38.9Very low74 Ų74137.3 Ų137.376%0.76377%0.765SS**  83.486.412600000119.3
298S33.5Very low40.8Very low115 Ų115137.8 Ų137.880%0.80476%0.759SS**  177.2119129.840.20000111.2V300S298-V300 PolarHBondContact O-N 3.41Å
299D33.9Very low42.9Very low144 Ų144137.6 Ų137.677%0.7775%0.748SS**  trans-80.2100.1-179.7-168.611.4000109.9Q301D299-Q301 PolarHBondContact O-N 3.47Å
300V37.4Very low44.8Very low133 Ų133140.3 Ų140.381%0.80674%0.743SS**  trans-89.399.2171179.10000108.8S298 K302S298-V300 PolarHBondContact O-N 3.41Å; V300-K302 PolarHBondContact O-N 2.89Å
301Q40.7Very low47Very low161 Ų161138.9 Ų138.975%0.75273%0.734SS**  trans-63.1122.4177.4-66.6-178-4.200111.9D299D299-Q301 PolarHBondContact O-N 3.47Å
302K43Very low49.2Very low190 Ų190136.6 Ų136.683%0.82672%0.724SS**  trans-63.3137.2161.6-67179.9-179.9178.90109.3V300 K304V300-K302 PolarHBondContact O-N 2.89Å; K302-K304 PolarHBondContact O-N 3.03Å
303P42.4Very low51.6Low127 Ų127134.7 Ų134.783%0.82571%0.71SS**  trans-67.8113.8-177.825.8-30.9000110.2L305P303-L305 PolarHBondContact O-N 2.93Å; P303-L305 VanDerWaalsContact O-N 3.16Å
304K53.2Low54.1Low204 Ų204130.9 Ų130.989%0.88770%0.695SS**  trans-67108.3170.9-70.9176.3-179.1170.40108.3K302 S306K302-K304 PolarHBondContact O-N 3.03Å; K304-S306 PolarHBondContact O-N 3.24Å
305L56.9Low56.3Low92 Ų92133.3 Ų133.348%0.48269%0.688SS.*  trans-52.5128.2169.2-75.7168.1000109.7P303 Q309 R310P303-L305 PolarHBondContact O-N 2.93Å; P303-L305 VanDerWaalsContact O-N 3.16Å; L305-Q309 HydrophobicContact CD2-CB 4.48Å; L305-R310 HydrophobicContact CB-CG 4.37Å
306S69.1Low58.9Low65 Ų65135.2 Ų135.246%0.45568%0.681SS.*  trans-58.1144-179.6172.70000110.5K304 K308 Q309 R310K304-S306 PolarHBondContact O-N 3.24Å; S306-K308 PolarHBondContact O-N 2.99Å; S306-K308 PolarHBondContact OG-N 2.93Å; S306-Q309 PolarHBondContact O-N 3.37Å; S306-R310 PolarHBondContact O-N 3.5Å; S306-R310 VanDerWaalsContact O-N 3.12Å
307N70.5Confident61.5Low134 Ų134130.4 Ų130.472%0.71766%0.658SS**Hα-helixtrans-50.3-27.2174.7-74.5-32.4000112.6K311N307-K311 WeakPolarHBondContact O-CB 3.27Å; N307-K311 PolarHBondContact O-N 3.43Å
308K68.6Low63.9Low158 Ų158133.7 Ų133.769%0.68765%0.651SS**Hα-helixtrans-67.3-47.4174.2-171.2178.9176-173.30112.5S306 K311 E312S306-K308 PolarHBondContact O-N 2.99Å; S306-K308 PolarHBondContact OG-N 2.93Å; K308-K311 PolarHBondContact O-N 3.28Å; K308-E312 PolarHBondContact O-N 2.95Å
309Q70.1Confident66.5Low102 Ų102134.8 Ų134.848%0.47764%0.642SS.*Hα-helixtrans-67.1-41.2179.7-70.6171.7-44.600111.3L305 S306 K311 E312 Q313L305-Q309 HydrophobicContact CD2-CB 4.48Å; S306-Q309 PolarHBondContact O-N 3.37Å; Q309-K311 VanDerWaalsContact C-N 3.32Å; Q309-K311 PolarHBondContact O-N 3.14Å; Q309-E312 PolarHBondContact O-N 3.46Å; Q309-Q313 WeakPolarHBondContact O-CB 3.5Å; Q309-Q313 PolarHBondContact O-N 3.42Å
310R71.9Confident69Low156 Ų156135 Ų13559%0.58964%0.636SS**Hα-helixtrans-59.8-40.3173.8-81.9179.3157.9-172.7-5.4112.7L305 S306 Q314L305-R310 HydrophobicContact CB-CG 4.37Å; S306-R310 PolarHBondContact O-N 3.5Å; S306-R310 VanDerWaalsContact O-N 3.12Å; R310-Q314 PolarHBondContact O-N 3.31Å
311K75.8Confident71.3Confident134 Ų134135.6 Ų135.658%0.58362%0.624SS**Hα-helixtrans-71.1-33.2179.2-166.1171.2-175.1172.90112.3N307 K308 Q309 R315N307-K311 WeakPolarHBondContact O-CB 3.27Å; N307-K311 PolarHBondContact O-N 3.43Å; K308-K311 PolarHBondContact O-N 3.28Å; Q309-K311 VanDerWaalsContact C-N 3.32Å; Q309-K311 PolarHBondContact O-N 3.14Å; K311-R315 WeakPolarHBondContact O-CG 3.29Å; K311-R315 PolarHBondContact O-N 3.22Å; K311-R315 VanDerWaalsContact O-N 3.15Å
312E78.5Confident73.3Confident115 Ų115134 Ų13454%0.53762%0.616SS.*Hα-helixtrans-70.3-43.9174.5-171.3164.5-165.600111.6K308 Q309 Q314 R315 L316K308-E312 PolarHBondContact O-N 2.95Å; Q309-E312 PolarHBondContact O-N 3.46Å; E312-Q314 PolarHBondContact O-N 3.31Å; E312-R315 WeakPolarHBondContact O-CB 3.48Å; E312-R315 PolarHBondContact O-N 3.01Å; E312-R315 VanDerWaalsContact O-N 3.08Å; E312-L316 HydrophobicContact CG-CD1 4.48Å; E312-L316 WeakPolarHBondContact O-CG 3.49Å; E312-L316 PolarHBondContact O-N 3.42Å
313Q79.1Confident75.2Confident124 Ų124131.1 Ų131.158%0.57961%0.606SS**Hα-helixtrans-61.8-43.7175.9-144.3169.620.800111.6Q309 R315 L316 E317Q309-Q313 WeakPolarHBondContact O-CB 3.5Å; Q309-Q313 PolarHBondContact O-N 3.42Å; Q313-R315 VanDerWaalsContact C-N 3.3Å; Q313-R315 PolarHBondContact O-N 3.16Å; Q313-L316 PolarHBondContact O-N 3.22Å; Q313-E317 WeakPolarHBondContact O-CB 3.23Å; Q313-E317 PolarHBondContact O-N 3.06Å
314Q81.4Confident77.3Confident120 Ų120130 Ų13056%0.56159%0.59SS**Hα-helixtrans-62.9-32.7172.9-83.6-175.12.900113.6R310 E312 K318R310-Q314 PolarHBondContact O-N 3.31Å; E312-Q314 PolarHBondContact O-N 3.31Å; Q314-K318 WeakPolarHBondContact O-CB 3.34Å; Q314-K318 VanDerWaalsContact O-CG 3.3Å; Q314-K318 WeakPolarHBondContact O-CG 3.44Å; Q314-K318 PolarHBondContact O-N 3.12Å; Q314-K318 VanDerWaalsContact O-N 3.08Å
315R84.1Confident78.8Confident180 Ų180127.2 Ų127.268%0.67957%0.573SS**Hα-helixtrans-70.3-43.3176.3-84177.8166.4-172.6-3.7111.4K311 E312 Q313 K318 K319K311-R315 WeakPolarHBondContact O-CG 3.29Å; K311-R315 PolarHBondContact O-N 3.22Å; K311-R315 VanDerWaalsContact O-N 3.15Å; E312-R315 WeakPolarHBondContact O-CB 3.48Å; E312-R315 PolarHBondContact O-N 3.01Å; E312-R315 VanDerWaalsContact O-N 3.08Å; Q313-R315 VanDerWaalsContact C-N 3.3Å; Q313-R315 PolarHBondContact O-N 3.16Å; R315-K318 PolarHBondContact O-N 3.02Å; R315-K319 PolarHBondContact O-N 2.91Å
316L80.9Confident80Confident110 Ų110129.4 Ų129.458%0.57658%0.581SS**Hα-helixtrans-63.9-42176.7-70.2169.6000111.3E312 Q313 K318 K319 K320E312-L316 HydrophobicContact CG-CD1 4.48Å; E312-L316 WeakPolarHBondContact O-CG 3.49Å; E312-L316 PolarHBondContact O-N 3.42Å; Q313-L316 PolarHBondContact O-N 3.22Å; L316-K318 PolarHBondContact O-N 3.04Å; L316-K319 PolarHBondContact O-N 2.88Å; L316-K320 WeakPolarHBondContact O-CB 3.42Å; L316-K320 PolarHBondContact O-N 3.38Å
317E84.9Confident80.8Confident101 Ų101134.8 Ų134.847%0.47259%0.591SS.*Hα-helixtrans-65.2-40.6177.2-156.8-168.7149.800112Q313 K320 R321Q313-E317 WeakPolarHBondContact O-CB 3.23Å; Q313-E317 PolarHBondContact O-N 3.06Å; E317-K320 PolarHBondContact O-N 3.04Å; E317-R321 WeakPolarHBondContact O-CG 3.46Å; E317-R321 PolarHBondContact O-N 3Å; E317-R321 IonicContact OE1-CZ 2.76Å; E317-R321 IonicContact OE1-NE 3.38Å; E317-R321 IonicContact OE1-NH2 3.9Å; E317-R321 PolarHBondContact OE1-NH2 3.3Å
318K86.8Confident81.2Confident142 Ų142133.5 Ų133.562%0.61758%0.581SS**Hα-helixtrans-64.5-39.1174.1-77.5179.5-177.8-177.80112.6Q314 R315 L316 Q322Q314-K318 WeakPolarHBondContact O-CB 3.34Å; Q314-K318 VanDerWaalsContact O-CG 3.3Å; Q314-K318 WeakPolarHBondContact O-CG 3.44Å; Q314-K318 PolarHBondContact O-N 3.12Å; Q314-K318 VanDerWaalsContact O-N 3.08Å; R315-K318 PolarHBondContact O-N 3.02Å; L316-K318 PolarHBondContact O-N 3.04Å; K318-Q322 PolarHBondContact O-N 2.96Å; K318-Q322 VanDerWaalsContact O-N 3.12Å
319K87.9Confident81.8Confident138 Ų138133.2 Ų133.260%0.658%0.58SS**Hα-helixtrans-63.2-48.7175.3-173.5-178.2175.9-171.90110.5R315 L316 R321 Q322 E323R315-K319 PolarHBondContact O-N 2.91Å; L316-K319 PolarHBondContact O-N 2.88Å; K319-R321 VanDerWaalsContact C-N 3.35Å; K319-R321 PolarHBondContact O-N 3.42Å; K319-Q322 PolarHBondContact O-N 3.31Å; K319-E323 PolarHBondContact O-N 3.5Å
320K86.6Confident82.2Confident149 Ų149134.6 Ų134.665%0.64858%0.584SS**Hα-helixtrans-59.1-42.7178.3-164.1178.2-179-177.20112.1L316 E317 Q322 E323 E324L316-K320 WeakPolarHBondContact O-CB 3.42Å; L316-K320 PolarHBondContact O-N 3.38Å; E317-K320 PolarHBondContact O-N 3.04Å; K320-Q322 VanDerWaalsContact C-N 3.34Å; K320-Q322 PolarHBondContact O-N 3.39Å; K320-E323 PolarHBondContact O-N 3.28Å; K320-E324 WeakPolarHBondContact O-CB 3.47Å; K320-E324 PolarHBondContact O-N 2.85Å
321R85.3Confident82.2Confident145 Ų145132 Ų13255%0.54758%0.581SS.*Hα-helixtrans-65.9-30174.7-72.9-174.7-168.9-159.16.7113.9E317 K319 R325E317-R321 WeakPolarHBondContact O-CG 3.46Å; E317-R321 PolarHBondContact O-N 3Å; E317-R321 IonicContact OE1-CZ 2.76Å; E317-R321 IonicContact OE1-NE 3.38Å; E317-R321 IonicContact OE1-NH2 3.9Å; E317-R321 PolarHBondContact OE1-NH2 3.3Å; K319-R321 VanDerWaalsContact C-N 3.35Å; K319-R321 PolarHBondContact O-N 3.42Å; R321-R325 WeakPolarHBondContact O-CG 3.32Å; R321-R325 PolarHBondContact O-N 3.38Å; R321-R325 PolarHBondContact O-NE 3.01Å
322Q81.9Confident81.9Confident129 Ų129132.7 Ų132.760%0.60359%0.587SS**Hα-helixtrans-73.7-43.5174.9-80.6-177.3-15.800111.3K318 K319 K320 R325 H326K318-Q322 PolarHBondContact O-N 2.96Å; K318-Q322 VanDerWaalsContact O-N 3.12Å; K319-Q322 PolarHBondContact O-N 3.31Å; K320-Q322 VanDerWaalsContact C-N 3.34Å; K320-Q322 PolarHBondContact O-N 3.39Å; Q322-R325 PolarHBondContact O-N 2.96Å; Q322-H326 PolarHBondContact O-N 2.95Å
323E84.1Confident81.1Confident129 Ų129132 Ų13260%0.60360%0.595SS**Hα-helixtrans-62.9-42.5177.2-169.5174174.700111.7K319 K320 R325 H326 R327K319-E323 PolarHBondContact O-N 3.5Å; K320-E323 PolarHBondContact O-N 3.28Å; E323-R325 PolarHBondContact O-N 2.92Å; E323-H326 WeakPolarHBondContact O-CB 3.47Å; E323-H326 PolarHBondContact O-N 3.08Å; E323-R327 WeakPolarHBondContact O-CB 3.3Å; E323-R327 PolarHBondContact O-N 3.15Å
324E85Confident80Confident104 Ų104134 Ų13449%0.48660%0.602SS.*Hα-helixtrans-64.7-38.6176.2-172.6164.8-15400112.7K320 R327 Q328K320-E324 WeakPolarHBondContact O-CB 3.47Å; K320-E324 PolarHBondContact O-N 2.85Å; E324-R327 PolarHBondContact O-N 3.37Å; E324-Q328 WeakPolarHBondContact O-CG 3.43Å; E324-Q328 PolarHBondContact O-N 3.04Å
325R84.7Confident78.5Confident144 Ų144131.8 Ų131.854%0.54361%0.611SS.*Hα-helixtrans-65.1-38.4172.2-78.3-178.6-68.3-149.3-0.1112.3R321 Q322 E323 K329R321-R325 WeakPolarHBondContact O-CG 3.32Å; R321-R325 PolarHBondContact O-N 3.38Å; R321-R325 PolarHBondContact O-NE 3.01Å; Q322-R325 PolarHBondContact O-N 2.96Å; E323-R325 PolarHBondContact O-N 2.92Å; R325-K329 WeakPolarHBondContact O-CB 3.42Å; R325-K329 WeakPolarHBondContact O-CG 3.44Å; R325-K329 PolarHBondContact O-N 3.03Å
326H82.3Confident76.6Confident139 Ų139126.4 Ų126.464%0.64461%0.612SS**Hα-helixtrans-66.6-41.9175.7-163.4-89.2000111Q322 E323 K329 F330Q322-H326 PolarHBondContact O-N 2.95Å; E323-H326 WeakPolarHBondContact O-CB 3.47Å; E323-H326 PolarHBondContact O-N 3.08Å; H326-K329 PolarHBondContact O-N 3.26Å; H326-F330 WeakPolarHBondContact O-CB 3.44Å; H326-F330 PolarHBondContact O-N 3.08Å
327R85.6Confident74.9Confident178 Ų178129.6 Ų129.667%0.67262%0.624SS**Hα-helixtrans-62.6-43.8175.9-169.2177.4179.7-129.60.4112.3E323 E324 F330 L331E323-R327 WeakPolarHBondContact O-CB 3.3Å; E323-R327 PolarHBondContact O-N 3.15Å; E324-R327 PolarHBondContact O-N 3.37Å; R327-F330 PolarHBondContact O-N 3.46Å; R327-L331 HydrophobicContact CG-CD1 4.34Å; R327-L331 WeakPolarHBondContact O-CG 3.38Å; R327-L331 PolarHBondContact O-N 3.19Å
328Q80.6Confident72.9Confident107 Ų107132.2 Ų132.250%0.564%0.641SS.*Hα-helixtrans-65.6-40.1175.6-77-176.80.800112.5E324 F330 L331 Q332E324-Q328 WeakPolarHBondContact O-CG 3.43Å; E324-Q328 PolarHBondContact O-N 3.04Å; Q328-F330 VanDerWaalsContact C-N 3.35Å; Q328-L331 PolarHBondContact O-N 3.06Å; Q328-Q332 PolarHBondContact O-N 3.16Å
329K80.7Confident70.9Confident151 Ų151134.8 Ų134.866%0.65766%0.655SS**Hα-helixtrans-62.6-41.4174.3-78.1-177177.8-168.10112.3R325 H326 Q332 S333R325-K329 WeakPolarHBondContact O-CB 3.42Å; R325-K329 WeakPolarHBondContact O-CG 3.44Å; R325-K329 PolarHBondContact O-N 3.03Å; H326-K329 PolarHBondContact O-N 3.26Å; K329-Q332 PolarHBondContact O-N 3.12Å; K329-S333 WeakPolarHBondContact O-CB 3.35Å; K329-S333 PolarHBondContact O-N 2.87Å
330F78.2Confident68.4Low131 Ų131135.2 Ų135.258%0.57566%0.664SS**Hα-helixtrans-62.8-43.5175.9-176.5-98.6000111.8H326 R327 Q328 S333 K334H326-F330 WeakPolarHBondContact O-CB 3.44Å; H326-F330 PolarHBondContact O-N 3.08Å; R327-F330 PolarHBondContact O-N 3.46Å; Q328-F330 VanDerWaalsContact C-N 3.35Å; F330-S333 PolarHBondContact O-N 2.94Å; F330-K334 PolarHBondContact O-N 3.31Å
331L72.1Confident66.2Low101 Ų101136.4 Ų136.453%0.52967%0.671SS.*Hα-helixtrans-66.3-40.2176.9-72166.8000112.6R327 Q328 S333 K334 G335R327-L331 HydrophobicContact CG-CD1 4.34Å; R327-L331 WeakPolarHBondContact O-CG 3.38Å; R327-L331 PolarHBondContact O-N 3.19Å; Q328-L331 PolarHBondContact O-N 3.06Å; L331-S333 VanDerWaalsContact C-N 3.34Å; L331-K334 PolarHBondContact O-N 3.41Å; L331-G335 PolarHBondContact O-N 3.46Å
332Q69.4Low63.7Low150 Ų150136.5 Ų136.570%0.70168%0.683SS**Hα-helixtrans-66-35.4173.9-82.2177.90.800112.5Q328 K329 K334 G335Q328-Q332 PolarHBondContact O-N 3.16Å; K329-Q332 PolarHBondContact O-N 3.12Å; Q332-K334 PolarHBondContact O-N 3.28Å; Q332-G335 PolarHBondContact O-N 3.38Å
333S60.7Low61.6Low101 Ų101137.1 Ų137.171%0.70669%0.69SS**Hα-helixtrans-69.2-19.1175.5-156.70000113K329 F330 L331K329-S333 WeakPolarHBondContact O-CB 3.35Å; K329-S333 PolarHBondContact O-N 2.87Å; F330-S333 PolarHBondContact O-N 2.94Å; L331-S333 VanDerWaalsContact C-N 3.34Å
334K57.6Low59.5Low166 Ų166136.7 Ų136.772%0.72270%0.698SS**Hα-helixtrans-92.1-14.6177.5-142.8-177.9-178.1-174.60113.5F330 L331 Q332F330-K334 PolarHBondContact O-N 3.31Å; L331-K334 PolarHBondContact O-N 3.41Å; Q332-K334 PolarHBondContact O-N 3.28Å
335G48.2Very low57.1Low72 Ų72139.3 Ų139.374%0.74272%0.716SS**SBendtrans-96.75.8-178.600000115.6L331 Q332L331-G335 PolarHBondContact O-N 3.46Å; Q332-G335 PolarHBondContact O-N 3.38Å
336G45.1Very low54.8Low68 Ų68137 Ų13770%0.70173%0.727SS**SBendtrans-108.621.1-171.800000115.9
337Q45.8Very low52.5Low177 Ų177137 Ų13783%0.82774%0.737SS**SBendtrans-128.423.3-171.5-119.2179.2-8.400116
338D42.4Very low50.1Low156 Ų156134.2 Ų134.283%0.83474%0.739SS**  trans-135.659.8174.6-87.2-36.6000113.1
339Q44.8Very low47.9Very low195 Ų195137.3 Ų137.391%0.91176%0.758SS**  trans-138.975.9157.9-71.6-165.339.400110.3
340N35.9Very low45.7Very low147 Ų147136 Ų13679%0.78676%0.763SS**  trans-159.974.5150.6-132.6-21.7000110.2
341Q39.6Very low44Very low174 Ų174135.7 Ų135.781%0.81377%0.774SS**  trans-101.3102.2161.5-69.8-172.615.800107.8
342N33.9Very low42.2Very low147 Ų147135.6 Ų135.679%0.78679%0.788SS**  trans-83.5111.2153.9-98.9-61000106.7
343L38Very low40.5Very low143 Ų143136.3 Ų136.375%0.74980%0.796SS**PPolyproline II helixtrans-71143.5162.6-88.387.6000109.6
344P39.7Very low39.3Very low120 Ų120138.1 Ų138.178%0.77980%0.798SS**PPolyproline II helixtrans-102146.4143.930.8-21.6000111.1
345D34Very low38.2Very low159 Ų159135.6 Ų135.685%0.8580%0.796SS**PPolyproline II helixtrans-57.2157.2-170.5-79.1-47.6000116.9
346A36.4Very low37.5Very low95 Ų95140.1 Ų140.179%0.78580%0.803SS**PPolyproline II helixtrans-59.5130.5175.300000113.1
347V33.5Very low37.1Very low139 Ų139142 Ų14284%0.84281%0.805SS**  trans-115.5110.8163.3179.60000108.8
348T36.3Very low36.8Very low119 Ų119145.2 Ų145.273%0.7383%0.825SS**  trans-65.2126.5175.9-43.70000110.6V350T348-V350 PolarHBondContact O-N 3.33Å
349L33.4Very low36.5Very low172 Ų172144.7 Ų144.790%0.90183%0.825SS**  trans-73120171-68.1168.9000109.8
350V34.6Very low36.1Very low125 Ų125142 Ų14276%0.75882%0.82SS**  trans-107.2126.1167.1-176.40000108.2T348T348-V350 PolarHBondContact O-N 3.33Å
351P41.6Very low36.1Very low123 Ų123141.7 Ų141.780%0.79982%0.822SS**  trans-88.3125.6171.631.9-26.5000110
352A34.7Very low35.9Very low100 Ų100139.8 Ų139.883%0.82682%0.822SS**  trans-134.4109.7168.700000110.8
353L35.4Very low36Very low164 Ų164139.4 Ų139.486%0.85983%0.825SS**  trans-73.8135.7155.5-74.3156.2000108.8
354N33.5Very low35.9Very low140 Ų140139.1 Ų139.175%0.74983%0.83SS**  157.9123.3123.2-92.3-2.9000113.6
355T34.5Very low35.6Very low113 Ų113140.5 Ų140.569%0.69383%0.833SS**  trans42.5126.113265.30000120.4
356L34.4Very low35.8Very low167 Ų167139.1 Ų139.187%0.87483%0.832SS**  -175.8146.599.6-92.5165.8000111.9
357S36.3Very low35.7Very low108 Ų108142.8 Ų142.876%0.75584%0.836SS**  trans-53.5155.1178.4-47.30000115.5
358I40.4Very low35.9Very low243 Ų243143.1 Ų143.1100%1.24684%0.835SS**  -1450111.5-85.2153.1000107.3

Retrieved 358 of 358 residues in 236.4 ms (Link to these results)

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