A0A3Q0KGX3_SCHMA Loading...

Putative rna and export factor binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KGX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M53.4Low56.4Low221 Ų221130.2 Ų130.2100%1.08967%0.671SS**  0-5.10-63.1-49.6-177.200115.1C3M1-C3 PolarHBondContact O-N 3.41Å
2H57.3Low56.4Low179 Ų179126.1 Ų126.183%0.82966%0.656SS**THydrogen-bonded Turntrans-80.7-6.2-167.9-69150.6000118.3
3C57Low56.1Low107 Ų107127.2 Ų127.272%0.72365%0.653SS**THydrogen-bonded Turntrans-82.7-17.7-177.4-64.60000115.2M1M1-C3 PolarHBondContact O-N 3.41Å
4V58Low56.2Low97 Ų97127.4 Ų127.459%0.58865%0.65SS**Hα-helixtrans-75.4-30.8-173-176.50000112.6I6 L7 I8V4-I6 VanDerWaalsContact C-N 3.35Å; V4-I6 PolarHBondContact O-N 3.49Å; V4-L7 PolarHBondContact O-N 3.4Å; V4-I8 HydrophobicContact CG1-CD1 4.35Å
5F55.5Low56.1Low168 Ų168130.5 Ų130.574%0.73765%0.65SS**Hα-helixtrans-69-29.2-176.2-113.1-92.3000114.1
6I58.9Low56.1Low111 Ų111135.7 Ų135.757%0.56966%0.66SS**Hα-helixtrans-72.4-35.4-178.2-66.2167.9000111.2V4 M9 N10V4-I6 VanDerWaalsContact C-N 3.35Å; V4-I6 PolarHBondContact O-N 3.49Å; I6-M9 PolarHBondContact O-N 3.19Å; I6-N10 PolarHBondContact O-N 3.47Å
7L55.3Low56.3Low125 Ų125133.6 Ų133.665%0.65465%0.652SS**Hα-helixtrans-68.4-37.3178.4-86.7156.3000112.6V4 M9 N10 D11V4-L7 PolarHBondContact O-N 3.4Å; L7-M9 VanDerWaalsContact C-N 3.33Å; L7-M9 PolarHBondContact O-N 2.85Å; L7-N10 PolarHBondContact O-N 2.94Å; L7-D11 PolarHBondContact O-N 3.14Å; L7-D11 VanDerWaalsContact O-N 3.14Å
8I59.1Low56.4Low108 Ų108137.2 Ų137.255%0.55466%0.657SS**Hα-helixtrans-67.6-32.9179.1-61.1174.1000111.7V4 T12V4-I8 HydrophobicContact CG1-CD1 4.35Å; I8-T12 PolarHBondContact O-OG1 3.25Å
9M56.5Low56.7Low134 Ų134140.4 Ų140.466%0.6667%0.671SS**Hα-helixtrans-75-34.8173.9-78.9-159.169.200113.6I6 L7 T12 F13I6-M9 PolarHBondContact O-N 3.19Å; L7-M9 VanDerWaalsContact C-N 3.33Å; L7-M9 PolarHBondContact O-N 2.85Å; M9-T12 WeakPolarHBondContact CA-OG1 3.45Å; M9-T12 PolarHBondContact O-N 3.03Å; M9-T12 PolarHBondContact O-OG1 3.22Å; M9-F13 PolarHBondContact O-N 3.31Å
10N54.3Low57.1Low97 Ų97137 Ų13752%0.51966%0.66SS.*Hα-helixtrans-71-37179.2-73.3-18.7000112.3I6 L7 T12 F13 E14I6-N10 PolarHBondContact O-N 3.47Å; L7-N10 PolarHBondContact O-N 2.94Å; N10-T12 PolarHBondContact O-N 3.29Å; N10-F13 PolarHBondContact O-N 3.02Å; N10-F13 VanDerWaalsContact O-N 3.09Å; N10-E14 PolarHBondContact O-N 3.09Å
11D54.9Low57.4Low85 Ų85133.5 Ų133.546%0.45565%0.649SS.*Hα-helixtrans-63.3-24.6173.8-129.7-50.8000112.7L7 R15L7-D11 PolarHBondContact O-N 3.14Å; L7-D11 VanDerWaalsContact O-N 3.14Å; D11-R15 VanDerWaalsContact O-CD 3.24Å; D11-R15 WeakPolarHBondContact O-CD 3.17Å; D11-R15 WeakPolarHBondContact O-CG 3.24Å; D11-R15 PolarHBondContact O-NE 3.44Å; D11-R15 IonicContact OD1-CZ 2.67Å; D11-R15 IonicContact OD1-NE 3.44Å; D11-R15 PolarHBondContact OD1-NE 3.43Å; D11-R15 IonicContact OD1-NH2 3.15Å; D11-R15 PolarHBondContact OD1-NH2 2.96Å
12T56Low58Low81 Ų81128 Ų12850%0.49763%0.629SS.*Hα-helixtrans-87.9-15.6174.1360000114.4I8 M9 N10I8-T12 PolarHBondContact O-OG1 3.25Å; M9-T12 WeakPolarHBondContact CA-OG1 3.45Å; M9-T12 PolarHBondContact O-N 3.03Å; M9-T12 PolarHBondContact O-OG1 3.22Å; N10-T12 PolarHBondContact O-N 3.29Å
13F53.2Low58.4Low141 Ų141128.3 Ų128.362%0.61863%0.627SS**Hα-helixtrans-90.3-46.2175-149.7-93.2000112.2M9 N10 R15 R16 L17M9-F13 PolarHBondContact O-N 3.31Å; N10-F13 PolarHBondContact O-N 3.02Å; N10-F13 VanDerWaalsContact O-N 3.09Å; F13-R15 VanDerWaalsContact C-N 3.33Å; F13-R15 PolarHBondContact O-N 2.98Å; F13-R16 WeakPolarHBondContact O-CA 3.39Å; F13-R16 WeakPolarHBondContact O-CB 3.49Å; F13-R16 PolarHBondContact O-N 3.36Å; F13-L17 HydrophobicContact CD1-CD1 3.94Å; F13-L17 HydrophobicContact CE1-CD1 4.04Å; F13-L17 PolarHBondContact O-N 3.34Å
14E56.8Low58.8Low129 Ų129132.8 Ų132.860%0.60363%0.629SS**Hα-helixtrans-62.2-37.2177.8-94.3-64.813700112.6N10 R16 L17N10-E14 PolarHBondContact O-N 3.09Å; E14-R16 PolarHBondContact O-N 2.95Å; E14-R16 VanDerWaalsContact O-N 3.13Å; E14-L17 PolarHBondContact O-N 3.13Å
15R55.6Low59Low175 Ų175137.7 Ų137.766%0.6664%0.637SS**Hα-helixtrans-63.6-18.6174.1-69.6178.2-163.5-150.22.9113.6D11 F13D11-R15 VanDerWaalsContact O-CD 3.24Å; D11-R15 WeakPolarHBondContact O-CD 3.17Å; D11-R15 WeakPolarHBondContact O-CG 3.24Å; D11-R15 PolarHBondContact O-NE 3.44Å; D11-R15 IonicContact OD1-CZ 2.67Å; D11-R15 IonicContact OD1-NE 3.44Å; D11-R15 PolarHBondContact OD1-NE 3.43Å; D11-R15 IonicContact OD1-NH2 3.15Å; D11-R15 PolarHBondContact OD1-NH2 2.96Å; F13-R15 VanDerWaalsContact C-N 3.33Å; F13-R15 PolarHBondContact O-N 2.98Å
16R55.6Low59.3Low213 Ų213135.4 Ų135.480%0.80463%0.632SS**Hα-helixtrans-88.6-16171.5-78178.6160.3133.4-6.5113.8F13 E14F13-R16 WeakPolarHBondContact O-CA 3.39Å; F13-R16 WeakPolarHBondContact O-CB 3.49Å; F13-R16 PolarHBondContact O-N 3.36Å; E14-R16 PolarHBondContact O-N 2.95Å; E14-R16 VanDerWaalsContact O-N 3.13Å
17L59.6Low59.3Low101 Ų101133 Ų13353%0.52963%0.634SS.*Hα-helixtrans-90.6-7.2-178.2-96.1161.7000114.9F13 E14 Q19F13-L17 HydrophobicContact CD1-CD1 3.94Å; F13-L17 HydrophobicContact CE1-CD1 4.04Å; F13-L17 PolarHBondContact O-N 3.34Å; E14-L17 PolarHBondContact O-N 3.13Å; L17-Q19 PolarHBondContact O-N 2.7Å
18R57.7Low59.6Low198 Ų198135.4 Ų135.475%0.74764%0.639SS**SBendtrans-51.8119.8167.2-72.8-174.2173.8-178.1-2.2109.3V20R18-V20 PolarHBondContact O-N 3.06Å
19Q63.1Low59.4Low197 Ų197136.2 Ų136.292%0.92165%0.649SS**  trans-64.382.3178.1-70.7-167.60.300111.1L17 S21L17-Q19 PolarHBondContact O-N 2.7Å; Q19-S21 PolarHBondContact O-N 3.08Å; Q19-S21 VanDerWaalsContact O-N 3.08Å
20V64.6Low59.3Low72 Ų72135.9 Ų135.944%0.43665%0.65SS.*  trans-65.6107.7164.8-176.90000105.7R18 R24 R25R18-V20 PolarHBondContact O-N 3.06Å; V20-R24 HydrophobicContact CG1-CB 3.32Å; V20-R25 HydrophobicContact CB-CG 3.91Å; V20-R25 HydrophobicContact CG1-CG 3.67Å; V20-R25 WeakPolarHBondContact O-CD 3.49Å
21S63.6Low59Low64 Ų64136.4 Ų136.445%0.44866%0.661SS.*  trans-50.2148.8178.671.10000110.2Q19 K23 R24 R25Q19-S21 PolarHBondContact O-N 3.08Å; Q19-S21 VanDerWaalsContact O-N 3.08Å; S21-K23 PolarHBondContact O-N 2.98Å; S21-R24 WeakPolarHBondContact O-CA 3.41Å; S21-R24 PolarHBondContact O-N 3.49Å; S21-R25 PolarHBondContact O-N 3.08Å; S21-R25 VanDerWaalsContact O-N 3.08Å
22V64.6Low58.9Low107 Ų107136.8 Ų136.865%0.64867%0.671SS**Hα-helixtrans-52.7-32.9-177.6-1780000111.1R24 R25 L26V22-R24 VanDerWaalsContact C-N 3.31Å; V22-R24 PolarHBondContact O-N 3.24Å; V22-R25 PolarHBondContact O-N 3.41Å; V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.49Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 WeakPolarHBondContact O-CG 3.44Å; V22-L26 PolarHBondContact O-N 3.2Å
23K66.2Low58.6Low184 Ų184138 Ų13880%0.869%0.689SS**Hα-helixtrans-68.7-15.8175.2-162.8168-174.9173.80115.7S21S21-K23 PolarHBondContact O-N 2.98Å
24R66.4Low58.7Low202 Ų202138.1 Ų138.176%0.76270%0.695SS**Hα-helixtrans-99.9-21168.1-77.5-174177.6-168.80.9112.9V20 S21 V22V20-R24 HydrophobicContact CG1-CB 3.32Å; S21-R24 WeakPolarHBondContact O-CA 3.41Å; S21-R24 PolarHBondContact O-N 3.49Å; V22-R24 VanDerWaalsContact C-N 3.31Å; V22-R24 PolarHBondContact O-N 3.24Å
25R61.6Low58.5Low200 Ų200138.4 Ų138.476%0.75570%0.7SS**Hα-helixtrans-78.4-38172-66.7-178.567.2-174.10.8112V20 S21 V22 G27V20-R25 HydrophobicContact CB-CG 3.91Å; V20-R25 HydrophobicContact CG1-CG 3.67Å; V20-R25 WeakPolarHBondContact O-CD 3.49Å; S21-R25 PolarHBondContact O-N 3.08Å; S21-R25 VanDerWaalsContact O-N 3.08Å; V22-R25 PolarHBondContact O-N 3.41Å; R25-G27 PolarHBondContact O-N 2.99Å; R25-G27 VanDerWaalsContact O-N 3.16Å
26L63Low58.6Low120 Ų120133.9 Ų133.963%0.62871%0.708SS**SBendtrans-63.4109.8160.4-74.5161.6000107.2V22 K28V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.49Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 WeakPolarHBondContact O-CG 3.44Å; V22-L26 PolarHBondContact O-N 3.2Å; L26-K28 PolarHBondContact O-N 2.76Å
27G57.9Low58.8Low59 Ų59134.6 Ų134.661%0.60871%0.711SS**  trans-53.1134.5-178.400000110.8R25 T29R25-G27 PolarHBondContact O-N 2.99Å; R25-G27 VanDerWaalsContact O-N 3.16Å; G27-T29 PolarHBondContact O-N 3.37Å
28K61.8Low58.8Low176 Ų176135 Ų13577%0.76571%0.713SS**  trans-54.3116.9168.7-70.1179.2177.4179.90107.3L26 N30L26-K28 PolarHBondContact O-N 2.76Å; K28-N30 PolarHBondContact O-N 3.16Å
29T55.8Low59.1Low125 Ų125129.3 Ų129.377%0.76770%0.698SS**  trans-71.276.1169.252.90000108.1G27 S31G27-T29 PolarHBondContact O-N 3.37Å; T29-S31 PolarHBondContact O-N 2.84Å
30N53.8Low59.2Low128 Ų128126.4 Ų126.468%0.68469%0.688SS**  trans-63.793.8167.7-73.4-8.9000106.4K28 S32K28-N30 PolarHBondContact O-N 3.16Å; N30-S32 PolarHBondContact O-N 3.18Å
31S48.1Very low59.3Low107 Ų107131.3 Ų131.375%0.74870%0.699SS**  trans-68.885175.7-171.40000108.2T29T29-S31 PolarHBondContact O-N 2.84Å
32S51.6Low59.3Low94 Ų94131.8 Ų131.866%0.65770%0.696SS**  trans-15188.6-177.7-670000110.1N30 I34N30-S32 PolarHBondContact O-N 3.18Å; S32-I34 PolarHBondContact O-N 2.85Å
33A49.7Very low59.1Low107 Ų107132.4 Ų132.488%0.88469%0.69SS**  trans26.777.6143.300000117.7
34I55.9Low58.8Low143 Ų143129.4 Ų129.473%0.73368%0.683SS**  trans-128.8117.3156.8-61.4-178.7000108.9S32S32-I34 PolarHBondContact O-N 2.85Å
35N53.3Low58.5Low134 Ų134125.1 Ų125.172%0.71768%0.675SS**SBendtrans58.374.7163.1-59.2-10000118.2R37N35-R37 PolarHBondContact O-N 3.37Å
36G56.9Low58.2Low81 Ų81121.3 Ų121.384%0.83567%0.669SS**SBendtrans66.9-13.2144.500000119N38G36-N38 PolarHBondContact O-N 3.01Å
37R58.8Low57.8Low228 Ų228118.8 Ų118.886%0.8666%0.658SS**  trans-92.782.4-179.9-66.6-175.8177.1102.9-3.4109.4N35 D39N35-R37 PolarHBondContact O-N 3.37Å; R37-D39 PolarHBondContact O-N 3.02Å
38N61.2Low57.8Low108 Ų108121.6 Ų121.658%0.57866%0.663SS**  trans-53.5115.4169-72-19.1000109.2G36 L40G36-N38 PolarHBondContact O-N 3.01Å; N38-L40 PolarHBondContact O-N 2.83Å
39D63.3Low57.7Low80 Ų80124.2 Ų124.243%0.42867%0.669SS.*  trans-45.3136.4173.9-177.2-10.6000109.7R37 R41 N42 K43R37-D39 PolarHBondContact O-N 3.02Å; D39-R41 PolarHBondContact O-N 3.49Å; D39-R41 VanDerWaalsContact O-N 3.16Å; D39-R41 WeakPolarHBondContact OD1-CB 3.1Å; D39-R41 PolarHBondContact OD1-N 2.77Å; D39-N42 HydrophobicContact CB-CB 4.45Å; D39-N42 WeakPolarHBondContact O-CA 3.34Å; D39-N42 WeakPolarHBondContact O-CB 3.49Å; D39-N42 PolarHBondContact O-N 2.87Å; D39-K43 PolarHBondContact O-N 2.99Å
40L66.3Low58.1Low136 Ų136122.2 Ų122.271%0.71266%0.656SS**Hα-helixtrans-54.9-30.9175-76.8136000111.4N38 N42 K43 L44N38-L40 PolarHBondContact O-N 2.83Å; L40-N42 PolarHBondContact O-N 2.95Å; L40-K43 PolarHBondContact O-N 3.2Å; L40-L44 PolarHBondContact O-N 3.43Å; L40-L44 VanDerWaalsContact O-N 3.16Å
41R65.3Low58.8Low175 Ų175119.5 Ų119.566%0.6665%0.645SS**Hα-helixtrans-61.5-39.7171.1-65.1175.2166.5175.3-3.6112.8D39 L44 N45D39-R41 PolarHBondContact O-N 3.49Å; D39-R41 VanDerWaalsContact O-N 3.16Å; D39-R41 WeakPolarHBondContact OD1-CB 3.1Å; D39-R41 PolarHBondContact OD1-N 2.77Å; R41-L44 PolarHBondContact O-N 2.85Å; R41-N45 PolarHBondContact O-N 3.16Å
42N63.3Low59.7Low73 Ų73119.3 Ų119.339%0.3964%0.636SS.*Hα-helixtrans-72.9-32.3176.9-68.7-12.1000111.7D39 L40 N45 L46D39-N42 HydrophobicContact CB-CB 4.45Å; D39-N42 WeakPolarHBondContact O-CA 3.34Å; D39-N42 WeakPolarHBondContact O-CB 3.49Å; D39-N42 PolarHBondContact O-N 2.87Å; L40-N42 PolarHBondContact O-N 2.95Å; N42-N45 PolarHBondContact O-N 3.02Å; N42-L46 PolarHBondContact O-N 3.42Å
43K60.9Low60.9Low121 Ų121118.2 Ų118.253%0.52663%0.632SS.*Hα-helixtrans-62.1-41.2172.7-74.6-178.1174.1179.60112.2D39 L40 N45 L46 T47D39-K43 PolarHBondContact O-N 2.99Å; L40-K43 PolarHBondContact O-N 3.2Å; K43-N45 VanDerWaalsContact C-N 3.26Å; K43-N45 PolarHBondContact O-N 3.45Å; K43-L46 PolarHBondContact O-N 3.14Å; K43-T47 PolarHBondContact O-N 3.43Å; K43-T47 PolarHBondContact O-OG1 3.08Å
44L60.9Low62Low121 Ų121123.2 Ų123.263%0.63463%0.629SS**Hα-helixtrans-64.9-26.7176.2-67.7172.5000113.6L40 R41 T47L40-L44 PolarHBondContact O-N 3.43Å; L40-L44 VanDerWaalsContact O-N 3.16Å; R41-L44 PolarHBondContact O-N 2.85Å; L44-T47 VanDerWaalsContact C-OG1 3.29Å; L44-T47 WeakPolarHBondContact CA-OG1 3.32Å; L44-T47 PolarHBondContact O-OG1 2.9Å
45N58.9Low62.9Low112 Ų112119.5 Ų119.560%0.59961%0.613SS**Hα-helixtrans-84.4-29.1173.9-70.5-24.7000112.7R41 N42 K43 V48R41-N45 PolarHBondContact O-N 3.16Å; N42-N45 PolarHBondContact O-N 3.02Å; K43-N45 VanDerWaalsContact C-N 3.26Å; K43-N45 PolarHBondContact O-N 3.45Å; N45-V48 WeakPolarHBondContact O-CB 3.44Å; N45-V48 PolarHBondContact O-N 3.26Å
46L56.4Low64Low120 Ų120117.8 Ų117.863%0.62860%0.603SS**Hα-helixtrans-69.1-34.8171.2-104.673.6000112.3N42 K43 V48 R49N42-L46 PolarHBondContact O-N 3.42Å; K43-L46 PolarHBondContact O-N 3.14Å; L46-V48 PolarHBondContact O-N 2.97Å; L46-V48 VanDerWaalsContact O-N 3.13Å; L46-R49 PolarHBondContact O-N 3.3Å
47T54Low64.7Low66 Ų66119 Ų11941%0.40559%0.59SS.*THydrogen-bonded Turntrans-62-17.8176.441.30000113.6K43 L44 R49 T50K43-T47 PolarHBondContact O-N 3.43Å; K43-T47 PolarHBondContact O-OG1 3.08Å; L44-T47 VanDerWaalsContact C-OG1 3.29Å; L44-T47 WeakPolarHBondContact CA-OG1 3.32Å; L44-T47 PolarHBondContact O-OG1 2.9Å; T47-R49 PolarHBondContact O-N 3.19Å; T47-T50 WeakPolarHBondContact CA-OG1 3.44Å; T47-T50 PolarHBondContact O-N 3.29Å; T47-T50 PolarHBondContact O-OG1 3.47Å
48V56.6Low65.5Low119 Ų119116.8 Ų116.872%0.72158%0.581SS**THydrogen-bonded Turntrans-66.2-24.3172.7-175.10000112.2N45 L46N45-V48 WeakPolarHBondContact O-CB 3.44Å; N45-V48 PolarHBondContact O-N 3.26Å; L46-V48 PolarHBondContact O-N 2.97Å; L46-V48 VanDerWaalsContact O-N 3.13Å
49R60.4Low65.9Low231 Ų231116.1 Ų116.187%0.87258%0.578SS**THydrogen-bonded Turntrans-86.8-21.8176.4-71.3-168.4172.9-159.4-1.8114L46 T47L46-R49 PolarHBondContact O-N 3.3Å; T47-R49 PolarHBondContact O-N 3.19Å
50T64.9Low65.9Low82 Ų82120 Ų12050%0.50359%0.586SS.*SBendtrans-89.7120.5171.7490000109T47 D52T47-T50 WeakPolarHBondContact CA-OG1 3.44Å; T47-T50 PolarHBondContact O-N 3.29Å; T47-T50 PolarHBondContact O-OG1 3.47Å; T50-D52 PolarHBondContact O-N 2.99Å
51P68.7Low65.6Low71 Ų71117.6 Ų117.646%0.46158%0.577SS.*PPolyproline II helixtrans-60.4117174.125.5-33.7000109.3T55 L56P51-T55 HydrophobicContact CB-CG2 3.93Å; P51-L56 HydrophobicContact CB-CD2 4.22Å; P51-L56 HydrophobicContact CB-CG 4.21Å; P51-L56 HydrophobicContact CG-CD2 3.76Å; P51-L56 HydrophobicContact CG-CG 4.1Å; P51-L56 WeakPolarHBondContact O-CD1 3.33Å; P51-L56 WeakPolarHBondContact O-CG 3.5Å
52D66.6Low65.3Low104 Ų104118.8 Ų118.856%0.55658%0.582SS**PPolyproline II helixtrans-48153.7176.4-89.8-27.5000111.8T50 R54 T55 L56T50-D52 PolarHBondContact O-N 2.99Å; D52-R54 PolarHBondContact O-N 2.96Å; D52-T55 WeakPolarHBondContact O-CA 3.37Å; D52-T55 WeakPolarHBondContact O-CB 3.19Å; D52-T55 PolarHBondContact O-N 3.3Å; D52-L56 PolarHBondContact O-N 3.22Å
53A76.3Confident65.1Low70 Ų70122.9 Ų122.958%0.57960%0.599SS**Hα-helixtrans-50-34.5174.700000112.3L57A53-L57 VanDerWaalsContact O-CB 3.28Å; A53-L57 WeakPolarHBondContact O-CB 3.18Å; A53-L57 WeakPolarHBondContact O-CD1 3.42Å; A53-L57 WeakPolarHBondContact O-CG 3.46Å; A53-L57 PolarHBondContact O-N 3.43Å
54R73.8Confident64.9Low213 Ų213122.9 Ų122.980%0.80460%0.596SS**Hα-helixtrans-63.5-41.3173.8-170.3174.5-176.2162.91.2113.2D52 R58D52-R54 PolarHBondContact O-N 2.96Å; R54-R58 WeakPolarHBondContact O-CB 3.44Å; R54-R58 PolarHBondContact O-N 2.93Å; R54-R58 VanDerWaalsContact O-N 3.07Å
55T75.1Confident64.6Low65 Ų65124 Ų12440%0.39960%0.602SS.*Hα-helixtrans-71-43.8176.8-560000110.9P51 D52 L57 R58 N59P51-T55 HydrophobicContact CB-CG2 3.93Å; D52-T55 WeakPolarHBondContact O-CA 3.37Å; D52-T55 WeakPolarHBondContact O-CB 3.19Å; D52-T55 PolarHBondContact O-N 3.3Å; T55-L57 PolarHBondContact O-N 3.2Å; T55-R58 PolarHBondContact O-N 2.98Å; T55-N59 PolarHBondContact O-N 3.44Å
56L76.3Confident64.6Low98 Ų98123.5 Ų123.551%0.51361%0.608SS.*Hα-helixtrans-58.9-46.3173.9-71.1172.8000111.9P51 D52 R58 N59 R60P51-L56 HydrophobicContact CB-CD2 4.22Å; P51-L56 HydrophobicContact CB-CG 4.21Å; P51-L56 HydrophobicContact CG-CD2 3.76Å; P51-L56 HydrophobicContact CG-CG 4.1Å; P51-L56 WeakPolarHBondContact O-CD1 3.33Å; P51-L56 WeakPolarHBondContact O-CG 3.5Å; D52-L56 PolarHBondContact O-N 3.22Å; L56-R58 PolarHBondContact O-N 2.64Å; L56-N59 PolarHBondContact O-N 3.45Å; L56-R60 VanDerWaalsContact O-CB 3.28Å; L56-R60 WeakPolarHBondContact O-CB 3.37Å; L56-R60 PolarHBondContact O-N 3.47Å
57L71.5Confident64.7Low107 Ų107123 Ų12356%0.5661%0.609SS**Hα-helixtrans-63.8-39.5176.9-74.1166.6000112.3A53 T55 R60 T61A53-L57 VanDerWaalsContact O-CB 3.28Å; A53-L57 WeakPolarHBondContact O-CB 3.18Å; A53-L57 WeakPolarHBondContact O-CD1 3.42Å; A53-L57 WeakPolarHBondContact O-CG 3.46Å; A53-L57 PolarHBondContact O-N 3.43Å; T55-L57 PolarHBondContact O-N 3.2Å; L57-R60 PolarHBondContact O-N 2.66Å; L57-T61 PolarHBondContact O-N 2.67Å; L57-T61 PolarHBondContact O-OG1 3.36Å
58R74.9Confident64.8Low181 Ų181127 Ų12768%0.68362%0.621SS**Hα-helixtrans-68.3-34.4178.7-161.8177.8-167.1-174.22.8112.9R54 T55 L56 T61 R62R54-R58 WeakPolarHBondContact O-CB 3.44Å; R54-R58 PolarHBondContact O-N 2.93Å; R54-R58 VanDerWaalsContact O-N 3.07Å; T55-R58 PolarHBondContact O-N 2.98Å; L56-R58 PolarHBondContact O-N 2.64Å; R58-T61 PolarHBondContact O-OG1 2.85Å; R58-T61 VanDerWaalsContact O-OG1 3.1Å; R58-R62 PolarHBondContact O-N 3.13Å
59N69Low64.9Low94 Ų94132 Ų13250%0.50363%0.627SS.*Hα-helixtrans-72-38.5171.9-70.9-6.8000111T55 L56 T61 R62 Q63T55-N59 PolarHBondContact O-N 3.44Å; L56-N59 PolarHBondContact O-N 3.45Å; N59-T61 PolarHBondContact O-N 3.19Å; N59-R62 PolarHBondContact O-N 3.48Å; N59-Q63 WeakPolarHBondContact O-CG 3.36Å; N59-Q63 PolarHBondContact O-N 2.74Å; N59-Q63 VanDerWaalsContact O-N 3.1Å
60R62.9Low64.8Low161 Ų161124.9 Ų124.961%0.60861%0.607SS**Hα-helixtrans-67.8-31.3178.5-164.6173.1-177.9-178.3-0.1113.3L56 L57 R64L56-R60 VanDerWaalsContact O-CB 3.28Å; L56-R60 WeakPolarHBondContact O-CB 3.37Å; L56-R60 PolarHBondContact O-N 3.47Å; L57-R60 PolarHBondContact O-N 2.66Å; R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.39Å; R60-R64 PolarHBondContact O-N 3.07Å
61T60.7Low64.7Low85 Ų85124.1 Ų124.152%0.52161%0.609SS.*Hα-helixtrans-73.4-37.317249.90000112.5L57 R58 N59 Q63 R64 N65L57-T61 PolarHBondContact O-N 2.67Å; L57-T61 PolarHBondContact O-OG1 3.36Å; R58-T61 PolarHBondContact O-OG1 2.85Å; R58-T61 VanDerWaalsContact O-OG1 3.1Å; N59-T61 PolarHBondContact O-N 3.19Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-Q63 PolarHBondContact O-N 3.26Å; T61-R64 PolarHBondContact O-N 3.28Å; T61-N65 PolarHBondContact O-OD1 2.99Å
62R60.1Low64.5Low200 Ų200129.6 Ų129.676%0.75562%0.62SS**Hα-helixtrans-60.4-39.2172.5-75.8-172.1168.6-153.4-4.1112.7R58 N59R58-R62 PolarHBondContact O-N 3.13Å; N59-R62 PolarHBondContact O-N 3.48Å
63Q59.1Low64.5Low160 Ų160129.8 Ų129.875%0.74862%0.621SS**Hα-helixtrans-72.1-25.1179.5-74-98.9-28.500114.3N59 T61N59-Q63 WeakPolarHBondContact O-CG 3.36Å; N59-Q63 PolarHBondContact O-N 2.74Å; N59-Q63 VanDerWaalsContact O-N 3.1Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-Q63 PolarHBondContact O-N 3.26Å
64R54.9Low63.9Low121 Ų121129.3 Ų129.346%0.45761%0.611SS.*Hα-helixtrans-88.2-5-175-71.8-17884.4160.47.8115R60 T61 S66 F68R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.39Å; R60-R64 PolarHBondContact O-N 3.07Å; T61-R64 PolarHBondContact O-N 3.28Å; R64-S66 VanDerWaalsContact C-N 3.27Å; R64-S66 PolarHBondContact O-N 3.07Å; R64-F68 VanDerWaalsContact NH2-CZ 3.34Å
65N55.9Low63.2Low144 Ų144124.3 Ų124.377%0.7760%0.6SS**THydrogen-bonded Turntrans-78.72.3-175-76.22.8000115.1T61T61-N65 PolarHBondContact O-OD1 2.99Å
66S57.6Low62.6Low102 Ų102130.8 Ų130.871%0.71362%0.617SS**THydrogen-bonded Turntrans-105.5-14.3-177.855.70000115.7R64R64-S66 VanDerWaalsContact C-N 3.27Å; R64-S66 PolarHBondContact O-N 3.07Å
67T59.3Low61.8Low109 Ų109130 Ų13067%0.66962%0.62SS**THydrogen-bonded Turntrans-132.8-16.9-168.854.70000116.2R69T67-R69 PolarHBondContact O-N 3.5Å; T67-R69 VanDerWaalsContact O-N 3.16Å
68F55.3Low61.2Low149 Ų149133.8 Ų133.865%0.65463%0.627SS**  trans-81.299.8177.5-94.3-97.9000111.2R64 D70R64-F68 VanDerWaalsContact NH2-CZ 3.34Å; F68-D70 PolarHBondContact O-N 3.26Å
69R58.7Low60.4Low224 Ų224132 Ų13285%0.84563%0.63SS**  trans-52.8112.8163.3-73.2-180173.5170.9-2108.6T67 A71 V74T67-R69 PolarHBondContact O-N 3.5Å; T67-R69 VanDerWaalsContact O-N 3.16Å; R69-A71 PolarHBondContact O-N 3.16Å; R69-V74 HydrophobicContact CB-CG2 4.47Å
70D59.4Low60.1Low82 Ų82132.7 Ų132.744%0.43963%0.633SS.*  trans-54125.2-179.8-173.2-15000109.9F68 R72 N73 V74F68-D70 PolarHBondContact O-N 3.26Å; D70-R72 PolarHBondContact O-N 3.43Å; D70-R72 VanDerWaalsContact O-N 3.09Å; D70-R72 WeakPolarHBondContact OD1-CB 3.24Å; D70-R72 WeakPolarHBondContact OD1-CG 3.2Å; D70-R72 PolarHBondContact OD1-N 3.35Å; D70-N73 PolarHBondContact O-N 3.47Å; D70-V74 PolarHBondContact O-N 2.86Å
71A63.6Low59.6Low67 Ų67130.9 Ų130.955%0.55464%0.642SS**Hα-helixtrans-57.4-25.5179.300000112R69 V74 L75R69-A71 PolarHBondContact O-N 3.16Å; A71-V74 PolarHBondContact O-N 3.47Å; A71-L75 WeakPolarHBondContact O-CG 3.4Å; A71-L75 PolarHBondContact O-N 3.49Å
72R63Low59.4Low186 Ų186133.7 Ų133.770%0.70265%0.65SS**Hα-helixtrans-63.8-36.4172.5-67.4174.2169.7153.3-3.8112.8D70 R76D70-R72 PolarHBondContact O-N 3.43Å; D70-R72 VanDerWaalsContact O-N 3.09Å; D70-R72 WeakPolarHBondContact OD1-CB 3.24Å; D70-R72 WeakPolarHBondContact OD1-CG 3.2Å; D70-R72 PolarHBondContact OD1-N 3.35Å; R72-R76 WeakPolarHBondContact O-CG 3.37Å; R72-R76 PolarHBondContact O-N 2.81Å; R72-R76 VanDerWaalsContact O-N 3.08Å
73N66.2Low59.1Low108 Ų108129.3 Ų129.358%0.57865%0.647SS**Hα-helixtrans-75.2-35.9175.9-77.9-1.7000111.9D70 L75 R76 S77D70-N73 PolarHBondContact O-N 3.47Å; N73-L75 VanDerWaalsContact C-N 3.3Å; N73-L75 PolarHBondContact O-N 3.09Å; N73-R76 PolarHBondContact O-N 2.74Å; N73-S77 PolarHBondContact O-N 3.23Å; N73-S77 VanDerWaalsContact O-N 3.08Å
74V64.7Low58.4Low59 Ų59132.8 Ų132.836%0.35865%0.653SS.*Hα-helixtrans-65-33.4175-178.40000112R69 D70 A71 S77R69-V74 HydrophobicContact CB-CG2 4.47Å; D70-V74 PolarHBondContact O-N 2.86Å; A71-V74 PolarHBondContact O-N 3.47Å; V74-S77 PolarHBondContact O-OG 2.79Å
75L59.6Low58.3Low109 Ų109138.5 Ų138.557%0.57168%0.675SS**Hα-helixtrans-77-34.8173.9-73.7164.7000112.5A71 N73 R78A71-L75 WeakPolarHBondContact O-CG 3.4Å; A71-L75 PolarHBondContact O-N 3.49Å; N73-L75 VanDerWaalsContact C-N 3.3Å; N73-L75 PolarHBondContact O-N 3.09Å; L75-R78 PolarHBondContact O-N 2.96Å
76R61.9Low58.1Low200 Ų200138.3 Ų138.376%0.75567%0.674SS**Hα-helixtrans-64.5-38.9175.1-79.5177.4175.1-124.2-1.1112.8R72 N73 R78 N79R72-R76 WeakPolarHBondContact O-CG 3.37Å; R72-R76 PolarHBondContact O-N 2.81Å; R72-R76 VanDerWaalsContact O-N 3.08Å; N73-R76 PolarHBondContact O-N 2.74Å; R76-R78 PolarHBondContact O-N 2.85Å; R76-N79 PolarHBondContact O-N 2.87Å
77S59.9Low58Low82 Ų82138.4 Ų138.457%0.57367%0.672SS**THydrogen-bonded Turntrans-71.2-10.7178.775.30000114.6N73 V74N73-S77 PolarHBondContact O-N 3.23Å; N73-S77 VanDerWaalsContact O-N 3.08Å; V74-S77 PolarHBondContact O-OG 2.79Å
78R58.3Low57.9Low187 Ų187145 Ų14571%0.70669%0.685SS**THydrogen-bonded Turntrans-90.1-8.4179.1-76.5177.9172.1169-1.8114.4L75 R76 I80L75-R78 PolarHBondContact O-N 2.96Å; R76-R78 PolarHBondContact O-N 2.85Å; R78-I80 VanDerWaalsContact C-N 3.31Å; R78-I80 PolarHBondContact O-N 3.13Å
79N58.4Low58Low143 Ų143142.8 Ų142.877%0.76568%0.683SS**  trans-89.716.1-179.5-98.2-51.3000114.3R76 P81R76-N79 PolarHBondContact O-N 2.87Å; N79-P81 WeakPolarHBondContact O-CD 3.49Å
80I61.5Low58Low108 Ų108137.3 Ų137.355%0.55468%0.676SS**SBendtrans-85.7116.3169.8-57.4172.7000107.5R78 Q82R78-I80 VanDerWaalsContact C-N 3.31Å; R78-I80 PolarHBondContact O-N 3.13Å; I80-Q82 PolarHBondContact O-N 3.1Å
81P53.5Low57.7Low124 Ų124142.9 Ų142.981%0.80570%0.697SS**  trans-72.990-17929.6-33.8000110.3N79N79-P81 WeakPolarHBondContact O-CD 3.49Å
82Q56Low57.2Low144 Ų144148.8 Ų148.867%0.67371%0.71SS**  trans-76.3130.7174.6-69.4-66-15.700110.4I80 R84I80-Q82 PolarHBondContact O-N 3.1Å; Q82-R84 PolarHBondContact O-N 3.36Å
83P53.3Low56.8Low108 Ų108146.2 Ų146.270%0.70171%0.709SS**  trans-65.7123.1-17926.4-33.4000110.2R85P83-R85 PolarHBondContact O-N 3.49Å
84R46.3Very low56.3Low232 Ų232146.2 Ų146.288%0.87572%0.715SS**  trans-69.494.8-179.2-71.4-170.9175.6-172.50111Q82 N86Q82-R84 PolarHBondContact O-N 3.36Å; R84-N86 PolarHBondContact O-N 2.94Å; R84-N86 VanDerWaalsContact O-N 3.13Å
85R51.8Low55.9Low241 Ų241149 Ų14991%0.90973%0.733SS**  trans-65.9104.9157.2-82.1-176.1164168.4-4108.2P83 P87P83-R85 PolarHBondContact O-N 3.49Å; R85-P87 WeakPolarHBondContact O-CD 3.49Å
86N51.2Low55.6Low140 Ų140154.3 Ų154.375%0.74975%0.745SS**  trans-65114.8173.7-72.7-33.3000110.2R84 R88R84-N86 PolarHBondContact O-N 2.94Å; R84-N86 VanDerWaalsContact O-N 3.13Å; N86-R88 PolarHBondContact O-N 3.35Å
87P56.9Low55.2Low104 Ų104149.8 Ų149.868%0.67574%0.74SS**  trans-77.5112.6162.132.8-27.8000107.4R85 V89R85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-V89 VanDerWaalsContact C-N 3.31Å; P87-V89 HydrophobicContact CB-CG2 3.85Å; P87-V89 HydrophobicContact CG-CG2 4.33Å; P87-V89 PolarHBondContact O-N 2.88Å
88R56Low55.1Low249 Ų249152.3 Ų152.394%0.9475%0.745SS**  trans-68.291.9167-75.1179.3176.3161.8-2.6108.1N86N86-R88 PolarHBondContact O-N 3.35Å
89V57.7Low55Low102 Ų102150.6 Ų150.662%0.61874%0.743SS**  trans-117.8118.5170.3-146.50000107.6P87 F91P87-V89 VanDerWaalsContact C-N 3.31Å; P87-V89 HydrophobicContact CB-CG2 3.85Å; P87-V89 HydrophobicContact CG-CG2 4.33Å; P87-V89 PolarHBondContact O-N 2.88Å; V89-F91 PolarHBondContact O-N 2.81Å
90P58.1Low54.6Low109 Ų109149.9 Ų149.971%0.70874%0.739SS**  trans-70.6124.7179.428.1-32.5000109.7F92P90-F92 VanDerWaalsContact C-N 3.35Å; P90-F92 PolarHBondContact O-N 2.87Å
91F54.4Low54.3Low199 Ų199152 Ų15287%0.87375%0.747SS**  trans-71.589.9172-77.7-88.8000109.8V89 I93V89-F91 PolarHBondContact O-N 2.81Å; F91-I93 PolarHBondContact O-N 3.11Å
92F52.7Low54Low190 Ų190153.7 Ų153.783%0.83375%0.748SS**  trans-7590.1170.1-125.1-91.2000109.2P90 P94P90-F92 VanDerWaalsContact C-N 3.35Å; P90-F92 PolarHBondContact O-N 2.87Å; F92-P94 VanDerWaalsContact O-CD 3.3Å; F92-P94 WeakPolarHBondContact O-CD 3.49Å
93I54.7Low53.7Low132 Ų132156.3 Ų156.368%0.67776%0.757SS**  trans-75.2117.9168.4-61.6173.7000107F91 V95F91-I93 PolarHBondContact O-N 3.11Å; I93-V95 PolarHBondContact O-N 3.08Å
94P55.9Low52.9Low109 Ų109155.1 Ų155.171%0.70877%0.765SS**  trans-71.196.8178.6-1631.7000109.6F92 R96F92-P94 VanDerWaalsContact O-CD 3.3Å; F92-P94 WeakPolarHBondContact O-CD 3.49Å; P94-R96 PolarHBondContact O-N 3.4Å
95V56Low52.7Low118 Ų118147.6 Ų147.672%0.71576%0.759SS**  trans-71.780168.2-170.50000107.6I93 T97I93-V95 PolarHBondContact O-N 3.08Å; V95-T97 HydrophobicContact CG1-CG2 4.24Å; V95-T97 PolarHBondContact O-N 3.08Å
96R54.2Low52.3Low219 Ų219144.8 Ų144.883%0.82676%0.757SS**  trans-66.188.7166.249.7-178.3174.1106.6-0.7108P94 I98P94-R96 PolarHBondContact O-N 3.4Å; R96-I98 PolarHBondContact O-N 3.46Å
97T52.9Low52.3Low106 Ų106145.3 Ų145.365%0.6576%0.758SS**  trans-58.6105.1171.935.30000108.4V95 K99V95-T97 HydrophobicContact CG1-CG2 4.24Å; V95-T97 PolarHBondContact O-N 3.08Å; T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 3.16Å
98I56.7Low51.8Low135 Ų135146.4 Ų146.469%0.69276%0.758SS**  trans-67.896.8165.3-59175.1000105.2R96 N100R96-I98 PolarHBondContact O-N 3.46Å; I98-N100 PolarHBondContact O-N 3.07Å
99K56.1Low51.3Low150 Ų150141.2 Ų141.265%0.65275%0.749SS**  trans-70.6114.3169.8-64.6-170.3178.3-1760107.3T97 E101T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 3.16Å; K99-E101 HydrophobicContact CB-CG 3.84Å; K99-E101 WeakPolarHBondContact CD-OE1 3.46Å; K99-E101 PolarHBondContact O-N 2.94Å
100N51.3Low50.9Low128 Ų128143.5 Ų143.568%0.68476%0.757SS**  trans-75.568.2173-71.9-6.2000109.8I98 L102I98-N100 PolarHBondContact O-N 3.07Å; N100-L102 PolarHBondContact O-N 3.38Å
101E54.1Low50.3Low154 Ų154148.4 Ų148.472%0.7276%0.761SS**THydrogen-bonded Turntrans-68.420.1176.5-59-78.816400112.8K99K99-E101 HydrophobicContact CB-CG 3.84Å; K99-E101 WeakPolarHBondContact CD-OE1 3.46Å; K99-E101 PolarHBondContact O-N 2.94Å
102L48.9Very low50.2Low158 Ų158146.2 Ų146.283%0.82776%0.759SS**THydrogen-bonded Turntrans-109.7-3.4-177.6-88.1155.1000113.5N100N100-L102 PolarHBondContact O-N 3.38Å
103F47.8Very low50.4Low199 Ų199142 Ų14287%0.87375%0.751SS**SBendtrans-134.370.5176.7-77.8-86.7000111.4
104G37.8Very low50.1Low84 Ų84147.2 Ų147.287%0.86676%0.762SS**  trans-159.390175.400000111.6
105G42.8Very low50.2Low73 Ų73151.5 Ų151.575%0.75377%0.769SS**  trans-175.739.7-17100000116.2
106Q43Very low49.9Very low182 Ų182151.3 Ų151.385%0.8577%0.77SS**  trans-144.292169.8-79.9-64.1-27.100110.1
107I50Low49.7Very low152 Ų152151.4 Ų151.478%0.77977%0.771SS**  trans-158.4127.7142.834.3171.8000110.7
108N47.5Very low49.5Very low126 Ų126151.6 Ų151.667%0.67477%0.774SS**  trans77.8104.1147.1-56.8-10.1000120.4
109N45.3Very low49.4Very low140 Ų140149.9 Ų149.975%0.74977%0.77SS**  88.6108.5122.1-62.2-11.6000121
110L49.8Very low49.4Very low150 Ų150147 Ų14779%0.78577%0.769SS**  99.2128.6125.5-130.268.9000120.1
111R45Very low49.2Very low213 Ų213150.6 Ų150.680%0.80478%0.779SS**  trans76.491.6154.4-84.9169.1178-176.9-0.8121
112N52.6Low49.1Very low152 Ų152154 Ų15481%0.81379%0.785SS**  87.3152.9114.2-79.111.3000121.5
113P56.5Low49Very low103 Ų103151.5 Ų151.567%0.66978%0.778SS**  trans-129.3166.4-141.242.6-28.4000115.9
114R48Very low48.9Very low241 Ų241145.3 Ų145.391%0.90977%0.77SS**  trans170.4145.2155.9-87.7139.3-167.5-1475.3106
115K57.1Low50Low198 Ų198149.4 Ų149.486%0.86177%0.771SS**  cis-154.4-177.8-7.5-115.3-167.7172-178.30107.1
116P50Low50.7Low114 Ų114150.7 Ų150.774%0.7477%0.766SS**  trans-113.8158.5-140.242-35.6000118.7
117R50Low50.8Low221 Ų221148.5 Ų148.583%0.83476%0.76SS**  trans30.7149.1134.9-105.7-174.7-142.3-145.64.5121.7
118P48.7Very low50.7Low111 Ų111149.1 Ų149.172%0.72176%0.764SS**  -139.8141.372.139.7-23.1000115.4
119T55.7Low50.8Low99 Ų99151 Ų15161%0.60777%0.773SS**  49.7128.9109.477.80000114.9
120S54.8Low50.9Low90 Ų90148.7 Ų148.763%0.62977%0.768SS**  cis-148.3-171.723.1-650000109.2
121F48.3Very low51.1Low203 Ų203149.5 Ų149.589%0.8977%0.772SS**  cis-127.6-129.26.3-103-69.2000111.6
122R51.4Low51.6Low226 Ų226145.1 Ų145.185%0.85377%0.771SS**  trans-159.3-171.5-168.4-136.2-164.3176.8-124.13.7111.1
123P47.9Very low51.9Low105 Ų105145.3 Ų145.368%0.68277%0.772SS**  -127.5-170.5-111.945.2-28.6000114.3
124G44.8Very low52.1Low69 Ų69146.2 Ų146.271%0.71178%0.778SS**  trans13196.3144.100000116.4
125I60.8Low52.5Low170 Ų170142 Ų14287%0.87277%0.772SS**  trans-124.4111.6154.3-54.3173.6000105.7
126P56.8Low52.9Low99 Ų99138.2 Ų138.264%0.64377%0.768SS**  trans-79144172.931.2-32.2000111L128P126-L128 PolarHBondContact O-N 3.31Å
127D45.9Very low53.4Low137 Ų137138.7 Ų138.773%0.73376%0.764SS**  trans-58123.7172.7-80.3-57.4000111.6L129D127-L129 PolarHBondContact O-N 3.17Å
128L47.1Very low53.8Low165 Ų165134 Ų13486%0.86476%0.762SS**THydrogen-bonded Turntrans-86.226.7176.5-61.2-178.5000113.1P126P126-L128 PolarHBondContact O-N 3.31Å
129L50.8Low53.9Low164 Ų164134.8 Ų134.886%0.85976%0.76SS**THydrogen-bonded Turntrans-118.511.8-172.1-65.8177.7000114.1D127D127-L129 PolarHBondContact O-N 3.17Å
130S47.7Very low53.6Low93 Ų93136.7 Ų136.765%0.6577%0.766SS**  trans-140.463.4-17549.90000113.3
131L54.2Low53.4Low166 Ų166142.2 Ų142.287%0.86978%0.779SS**  trans-121.2136.4163.4-71.4177000111.1
132P54.2Low53.3Low121 Ų121139.1 Ų139.179%0.78677%0.771SS**  trans-80.2135-173.7-3.221.5000111.3
133L58.6Low53.1Low157 Ų157135.9 Ų135.982%0.82277%0.771SS**  trans-76.2126.7169.8-68.2165.7000109.8L135L133-L135 PolarHBondContact O-N 3.36Å
134P60.7Low53.1Low122 Ų122137.7 Ų137.779%0.79278%0.775SS**  trans-75107.8166.929.9-30.8000109.2P136P134-P136 WeakPolarHBondContact O-CD 3.27Å
135L57.3Low53.2Low153 Ų153140.4 Ų140.480%0.80178%0.78SS**PPolyproline II helixtrans-70.5125.1167.9-77.4136.5000109.4L133L133-L135 PolarHBondContact O-N 3.36Å
136P65.1Low53.2Low118 Ų118137.5 Ų137.577%0.76677%0.77SS**PPolyproline II helixtrans-71.9128.2164-8.224.8000109P134P134-P136 WeakPolarHBondContact O-CD 3.27Å
137N60.2Low53.2Low123 Ų123137.9 Ų137.966%0.65877%0.773SS**PPolyproline II helixtrans-66.4131.5177.8-78.5-21000111L139N137-L139 PolarHBondContact O-N 3.49Å
138P58.4Low53.6Low123 Ų123137.5 Ų137.580%0.79978%0.778SS**THydrogen-bonded Turntrans-84.552.5179.936.2-37000111.8
139L50.9Low53.7Low128 Ų128134.9 Ų134.967%0.6777%0.773SS**THydrogen-bonded Turntrans-141.6-4.9-176.9-100.6170.5000117N137 F141 L142N137-L139 PolarHBondContact O-N 3.49Å; L139-F141 PolarHBondContact O-N 3.24Å; L139-L142 HydrophobicContact CD2-CD1 4.37Å
140D50.3Low53.6Low139 Ų139129.8 Ų129.874%0.74376%0.76SS**THydrogen-bonded Turntrans-89.45.6-176.3-66.1-54.3000115.3L142D140-L142 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 3.28Å
141F49.7Very low53.8Low205 Ų205133.9 Ų133.990%0.89977%0.774SS**THydrogen-bonded Turntrans-88.512.2179.7-72.3-76.1000114.6L139L139-F141 PolarHBondContact O-N 3.24Å
142L46.2Very low53.3Low138 Ų138136 Ų13672%0.72378%0.776SS**SBendtrans-10843.1-172.8-89.2161.4000113.6L139 D140L139-L142 HydrophobicContact CD2-CD1 4.37Å; D140-L142 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 3.28Å
143N48.1Very low52.8Low159 Ų159133.9 Ų133.985%0.8577%0.769SS**SBendtrans-17381.8158.2-102.5-25.2000113.4
144N47.1Very low52.4Low142 Ų142134.3 Ų134.376%0.75977%0.772SS**  trans-171129.7140.7-108.7-29.2000112.6T146N144-T146 PolarHBondContact O-N 3.06Å
145P48Very low51.6Low126 Ų126136.6 Ų136.682%0.81878%0.777SS**  trans-90.174.1-179.136.3-34.4000111.7
146T59.1Low51.5Low109 Ų109135.7 Ų135.767%0.66977%0.772SS**  trans-139.2135.4173.548.50000111.4N144N144-T146 PolarHBondContact O-N 3.06Å
147P58.1Low50.5Low108 Ų108136.1 Ų136.170%0.70178%0.775SS**  trans-75.8134-163.829.1-35.5000113.4S149P147-S149 VanDerWaalsContact C-N 3.31Å; P147-S149 PolarHBondContact O-N 3.05Å
148P54.4Low50.3Low129 Ų129139 Ų13984%0.83878%0.782SS**  trans-76.484.7165.731.8-32.4000109.3G150P148-G150 PolarHBondContact O-N 2.91Å
149S49.1Very low49.8Very low110 Ų110140.3 Ų140.377%0.76978%0.782SS**  trans-56.1109.3173.8-63.10000110P147P147-S149 VanDerWaalsContact C-N 3.31Å; P147-S149 PolarHBondContact O-N 3.05Å
150G47.6Very low49.5Very low56 Ų56142.7 Ų142.758%0.57779%0.79SS**  trans-70.4157.3-16300000115P148 F152P148-G150 PolarHBondContact O-N 2.91Å; G150-F152 PolarHBondContact O-N 3.23Å
151L52.5Low49.7Very low180 Ų180142.4 Ų142.494%0.94279%0.793SS**SBendtrans-71.528.3174.3-59173.3000113.5
152F44Very low49.9Very low209 Ų209138.5 Ų138.592%0.91779%0.788SS**  trans-130.445.4-175.7-81.3-83000111.2G150G150-F152 PolarHBondContact O-N 3.23Å
153A44.5Very low49.6Very low77 Ų77138.6 Ų138.664%0.63679%0.794SS**  trans-154.482.9173.700000112.3
154N49.1Very low49.2Very low166 Ų166136.7 Ų136.789%0.88879%0.793SS**  trans-141.191.8155.4-108.3-9.3000109.1L156N154-L156 PolarHBondContact O-N 3.23Å
155L44.2Very low49.2Very low171 Ų171134.7 Ų134.790%0.89580%0.796SS**  trans-76.2109.9173-74.6134.5000109.3
156L55Low48.8Very low133 Ų133133.8 Ų133.870%0.69679%0.793SS**  trans-135.3122.2159-70.7176.5000108.4N154 F158N154-L156 PolarHBondContact O-N 3.23Å; L156-F158 HydrophobicContact CB-CD2 4Å; L156-F158 HydrophobicContact CB-CE2 3.93Å; L156-F158 HydrophobicContact CD1-CE2 4.29Å; L156-F158 PolarHBondContact O-N 3.44Å
157P44.8Very low48.5Very low127 Ų127133 Ų13383%0.82579%0.792SS**  trans-83.2100.5-177.632.2-32000110.2
158F54.9Low47.9Very low184 Ų184133.7 Ų133.781%0.80780%0.8SS**  trans-118.8129.1171.5-74.7-70.1000111.9L156 E160L156-F158 HydrophobicContact CB-CD2 4Å; L156-F158 HydrophobicContact CB-CE2 3.93Å; L156-F158 HydrophobicContact CD1-CE2 4.29Å; L156-F158 PolarHBondContact O-N 3.44Å; F158-E160 PolarHBondContact O-N 3.27Å
159N49.3Very low48.1Very low151 Ų151129.3 Ų129.381%0.80778%0.778SS**  trans-48.9127.6-173.9-98.74.5000115.1
160E43.1Very low48.4Very low177 Ų177128.7 Ų128.783%0.82777%0.771SS**  trans34.490.8131.7-52.9-160.9163.300119.7F158F158-E160 PolarHBondContact O-N 3.27Å
161V55.6Low48.6Very low134 Ų134133.4 Ų133.481%0.81278%0.776SS**  trans-146128131.4-166.50000109.2
162P53.5Low48.8Very low122 Ų122127.3 Ų127.379%0.79274%0.743SS**  trans-77.1126.5-173.728.5-34.9000114.4S164P162-S164 PolarHBondContact O-N 3.04Å
163V39.7Very low49.4Very low141 Ų141120.6 Ų120.686%0.85572%0.723SS**  trans-82101.8164.6179.90000109.5
164S40.1Very low50.1Low118 Ų118122.4 Ų122.483%0.82573%0.728SS**  trans178.5111.5156.1-88.20000113.3P162P162-S164 PolarHBondContact O-N 3.04Å
165A46.5Very low50.9Low100 Ų100120.9 Ų120.983%0.82672%0.718SS**  trans-178.2113.2137.300000110.3S167A165-S167 PolarHBondContact O-N 3Å
166S39.9Very low52.6Low108 Ų108118.5 Ų118.576%0.75570%0.703SS**  trans-57.5112.6173.634.60000112.7S168S166-S168 PolarHBondContact O-N 3.21Å
167S51.8Low54.1Low91 Ų91112.2 Ų112.264%0.63667%0.67SS**  trans-67.6103.3165.849.50000109.9A165 G169 K171A165-S167 PolarHBondContact O-N 3Å; S167-G169 PolarHBondContact O-N 3.13Å; S167-K171 WeakPolarHBondContact O-CE 3.32Å
168S47.1Very low56.4Low124 Ų124108.2 Ų108.287%0.86764%0.64SS**  trans-81.245.2174.249.50000112.5S166S166-S168 PolarHBondContact O-N 3.21Å
169G57.5Low58.2Low37 Ų37104 Ų10438%0.38162%0.618SS.*SBendtrans-72.7164.9157.400000110.4S167 K171S167-G169 PolarHBondContact O-N 3.13Å; G169-K171 VanDerWaalsContact C-N 3.35Å; G169-K171 PolarHBondContact O-N 3.33Å
170P55.2Low60.4Low96 Ų9696.8 Ų96.862%0.62358%0.58SS**  trans-64.997.117128.5-33000108.8I172P170-I172 VanDerWaalsContact C-N 3.27Å; P170-I172 PolarHBondContact O-N 3.34Å
171K52.3Low62.9Low155 Ų15589.8 Ų89.867%0.67455%0.548SS*.  trans-67.589.1175-64.2-172.4179.9-172.30108.7S167 G169 S173S167-K171 WeakPolarHBondContact O-CE 3.32Å; G169-K171 VanDerWaalsContact C-N 3.35Å; G169-K171 PolarHBondContact O-N 3.33Å; K171-S173 PolarHBondContact O-N 3.02Å
172I57.2Low64.8Low52 Ų5283.4 Ų83.427%0.26751%0.509SS..  trans-63.4114.9172.3-66.5151.4000106.4P170 Q176 P249P170-I172 VanDerWaalsContact C-N 3.27Å; P170-I172 PolarHBondContact O-N 3.34Å; I172-Q176 HydrophobicContact CG2-CB 3.85Å; I172-Q176 HydrophobicContact CG2-CG 4.43Å; I172-P249 HydrophobicContact CD1-CG 3.83Å
173S55.6Low66.8Low69 Ų6982.3 Ų82.348%0.48349%0.489SS..  trans-55.3138.4175.6-56.20000109.1K171 I175 Q176K171-S173 PolarHBondContact O-N 3.02Å; S173-I175 PolarHBondContact O-N 2.91Å; S173-Q176 PolarHBondContact O-N 2.98Å
174P59.6Low69.5Low114 Ų11478.9 Ų78.974%0.7447%0.466SS*.G310 helixtrans-56.6-22174.922.3-32.8000112.2Q176 G177P174-Q176 PolarHBondContact O-N 3.01Å; P174-G177 PolarHBondContact O-N 3.39Å
175I67Low72.2Confident134 Ų13473.5 Ų73.569%0.68743%0.428SS*.G310 helixtrans-55.9-14.3168.8-53.6172.9000113.5S173 R205S173-I175 PolarHBondContact O-N 2.91Å; I175-R205 PolarHBondContact O-NH1 2.81Å; I175-R205 PolarHBondContact O-NH2 2.91Å
176Q78Confident74.5Confident121 Ų12172.1 Ų72.157%0.56540%0.404SS*.G310 helixtrans-96.2-23172.8-166.3160.323.600114.1I172 S173 P174 I218I172-Q176 HydrophobicContact CG2-CB 3.85Å; I172-Q176 HydrophobicContact CG2-CG 4.43Å; S173-Q176 PolarHBondContact O-N 2.98Å; P174-Q176 PolarHBondContact O-N 3.01Å; Q176-I218 WeakPolarHBondContact O-CG2 3.35Å
177G88.3Confident77.1Confident2 Ų271 Ų712%0.02140%0.395CS..  trans66.9-176.6-173.200000113.8P174 Y219P174-G177 PolarHBondContact O-N 3.39Å; G177-Y219 CarbonylContact C-O 3.57Å; G177-Y219 VanDerWaalsContact CA-O 3.3Å; G177-Y219 WeakPolarHBondContact CA-O 3.41Å
178F91.4Very high79.1Confident42 Ų4270 Ų7018%0.18439%0.387CS..EExtended strand (participates in β ladder)trans-105.4109.8-178.9-62.1-84.8000110.3I218 Y219 H221 S222 A225 T248 V250F178-I218 WeakPolarHBondContact O-CA 3.33Å; F178-Y219 PolarHBondContact N-O 2.79Å; F178-Y219 PolarHBondContact O-N 3.03Å; F178-H221 WeakPolarHBondContact CD2-O 3.46Å; F178-S222 VanDerWaalsContact CD2-N 3.3Å; F178-S222 VanDerWaalsContact CE2-N 3.29Å; F178-A225 HydrophobicContact CB-CB 3.82Å; F178-T248 VanDerWaalsContact CA-OG1 3.32Å; F178-T248 WeakPolarHBondContact CA-OG1 3.42Å; F178-V250 HydrophobicContact CD1-CG2 3.55Å; F178-V250 HydrophobicContact CE1-CG2 3.63Å
179R93.4Very high81.4Confident95 Ų9564.8 Ų64.836%0.35835%0.35SS..EExtended strand (participates in β ladder)trans-87.3120.9-176-171.1177.3178.1-171-2.1110.4E216 V217 I218 T247 T248R179-E216 IonicContact CZ-OE1 2.81Å; R179-E216 IonicContact CZ-OE2 3.45Å; R179-E216 VanDerWaalsContact NE-CD 3.34Å; R179-E216 IonicContact NE-OE1 2.84Å; R179-E216 PolarHBondContact NE-OE1 2.92Å; R179-E216 IonicContact NE-OE2 3.2Å; R179-E216 PolarHBondContact NE-OE2 3.41Å; R179-E216 IonicContact NH2-OE1 2.76Å; R179-E216 PolarHBondContact NH2-OE1 2.93Å; R179-E216 IonicContact NH2-OE2 2.71Å; R179-E216 PolarHBondContact NH2-OE2 2.93Å; R179-V217 WeakPolarHBondContact CA-O 3.41Å; R179-I218 HydrophobicContact CB-CG1 4.31Å; R179-I218 HydrophobicContact CG-CG1 4.27Å; R179-T247 PolarHBondContact O-N 3.44Å; R179-T248 HydrophobicContact CB-CG2 3.87Å; R179-T248 PolarHBondContact N-OG1 2.79Å; R179-T248 PolarHBondContact O-N 3.29Å
180V94.9Very high83.2Confident0 Ų066.3 Ų66.30%035%0.352CS..EExtended strand (participates in β ladder)trans-104.4128.3172.2179.40000107.8I182 E216 V217 Y219 A225 I229 V244 L246V180-I182 HydrophobicContact CG1-CD1 4.34Å; V180-E216 WeakPolarHBondContact O-CA 3.45Å; V180-V217 PolarHBondContact N-O 2.92Å; V180-V217 PolarHBondContact O-N 3.36Å; V180-Y219 HydrophobicContact CG2-CD2 3.94Å; V180-Y219 HydrophobicContact CG2-CE2 4.07Å; V180-A225 HydrophobicContact CG2-CB 3.76Å; V180-I229 HydrophobicContact CG1-CG1 4.3Å; V180-V244 HydrophobicContact CG1-CG1 3.26Å; V180-L246 HydrophobicContact CG2-CD1 4.07Å
181E95.7Very high85.1Confident31 Ų3165.8 Ų65.815%0.14534%0.343CS..EExtended strand (participates in β ladder)trans-101.5130.6173.7-176-174.6-175.400109.5R183 E216 S245 T247E181-R183 VanDerWaalsContact CD-CZ 3.41Å; E181-R183 HydrophobicContact CG-CG 4.22Å; E181-R183 IonicContact OE1-CZ 3.73Å; E181-R183 IonicContact OE1-NE 2.68Å; E181-R183 PolarHBondContact OE1-NE 3.36Å; E181-R183 IonicContact OE1-NH2 2.68Å; E181-R183 PolarHBondContact OE1-NH2 3.25Å; E181-R183 IonicContact OE2-CZ 3.7Å; E181-R183 IonicContact OE2-NE 2.92Å; E181-R183 PolarHBondContact OE2-NE 3.49Å; E181-R183 IonicContact OE2-NH2 3.07Å; E181-R183 PolarHBondContact OE2-NH2 3.05Å; E181-E216 HydrophobicContact CG-CG 4.46Å; E181-S245 PolarHBondContact N-O 2.92Å; E181-S245 PolarHBondContact O-N 2.8Å; E181-S245 PolarHBondContact O-OG 2.67Å; E181-T247 WeakPolarHBondContact CB-OG1 3.43Å
182I96.5Very high87.2Confident0 Ų063.7 Ų63.70%034%0.34CS..EExtended strand (participates in β ladder)trans-112.3126.6-179.2-53.886.4000108.5V180 L185 F198 Q214 A215 V217 M242 R243V180-I182 HydrophobicContact CG1-CD1 4.34Å; I182-L185 HydrophobicContact CB-CD1 4.49Å; I182-L185 HydrophobicContact CG2-CD1 3.81Å; I182-L185 HydrophobicContact CG2-CD2 3.7Å; I182-L185 HydrophobicContact CG2-CG 3.86Å; I182-F198 HydrophobicContact CD1-CE2 4.38Å; I182-F198 HydrophobicContact CD1-CZ 4.25Å; I182-F198 HydrophobicContact CG1-CE1 4.16Å; I182-F198 HydrophobicContact CG1-CE2 3.75Å; I182-F198 HydrophobicContact CG1-CZ 3.47Å; I182-F198 VanDerWaalsContact CG1-CZ 3.47Å; I182-F198 HydrophobicContact CG2-CE2 4.47Å; I182-F198 HydrophobicContact CG2-CZ 4.4Å; I182-Q214 WeakPolarHBondContact O-CA 3.46Å; I182-A215 WeakPolarHBondContact CA-O 3.28Å; I182-A215 HydrophobicContact CB-CB 4.36Å; I182-A215 WeakPolarHBondContact CB-O 3.33Å; I182-A215 WeakPolarHBondContact CD1-O 3.35Å; I182-A215 PolarHBondContact N-O 3.01Å; I182-A215 PolarHBondContact O-N 2.74Å; I182-V217 HydrophobicContact CD1-CB 4.1Å; I182-V217 HydrophobicContact CD1-CG2 3.76Å; I182-M242 HydrophobicContact CG2-CG 3.51Å; I182-M242 HydrophobicContact CG2-SD 3.41Å; I182-M242 WeakPolarHBondContact CG2-SD 3.47Å; I182-R243 CarbonylContact C-O 3.59Å; I182-R243 WeakPolarHBondContact CA-O 3.39Å
183R96.1Very high89Confident98 Ų9864.4 Ų64.437%0.3734%0.344SS..EExtended strand (participates in β ladder)trans-128.5162.4-178.3-63.6179.4172.7158.24.2111.1E181 L185 R243E181-R183 VanDerWaalsContact CD-CZ 3.41Å; E181-R183 HydrophobicContact CG-CG 4.22Å; E181-R183 IonicContact OE1-CZ 3.73Å; E181-R183 IonicContact OE1-NE 2.68Å; E181-R183 PolarHBondContact OE1-NE 3.36Å; E181-R183 IonicContact OE1-NH2 2.68Å; E181-R183 PolarHBondContact OE1-NH2 3.25Å; E181-R183 IonicContact OE2-CZ 3.7Å; E181-R183 IonicContact OE2-NE 2.92Å; E181-R183 PolarHBondContact OE2-NE 3.49Å; E181-R183 IonicContact OE2-NH2 3.07Å; E181-R183 PolarHBondContact OE2-NH2 3.05Å; R183-L185 VanDerWaalsContact C-N 3.35Å; R183-R243 HydrophobicContact CB-CB 4.23Å; R183-R243 PolarHBondContact N-O 3.26Å; R183-R243 PolarHBondContact O-N 3.46Å
184N96.2Very high90.9Very high69 Ų6961.2 Ų61.237%0.36932%0.322SS..SBendtrans68.127.6176.8-160.855.3000114.7G213 P241 R243N184-G213 PolarHBondContact N-O 3.48Å; N184-G213 VanDerWaalsContact N-O 3.12Å; N184-P241 PolarHBondContact ND2-O 3.5Å; N184-R243 HydrophobicContact CB-CG 4.29Å
185L95.7Very high92.6Very high6 Ų660 Ų603%0.03131%0.305CS..  trans-71.3163.4171-54.9178.2000110.7I182 R183 V189 V194 G213 A215 L237 R240 M242I182-L185 HydrophobicContact CB-CD1 4.49Å; I182-L185 HydrophobicContact CG2-CD1 3.81Å; I182-L185 HydrophobicContact CG2-CD2 3.7Å; I182-L185 HydrophobicContact CG2-CG 3.86Å; R183-L185 VanDerWaalsContact C-N 3.35Å; L185-V189 HydrophobicContact CB-CB 4.39Å; L185-V189 HydrophobicContact CB-CG2 4.29Å; L185-V189 HydrophobicContact CD1-CG1 4.29Å; L185-V194 HydrophobicContact CD1-CG2 3.99Å; L185-G213 PolarHBondContact N-O 2.9Å; L185-G213 VanDerWaalsContact N-O 3.13Å; L185-G213 WeakPolarHBondContact O-CA 3.43Å; L185-A215 HydrophobicContact CD1-CB 3.97Å; L185-L237 HydrophobicContact CD2-CD2 4.14Å; L185-R240 PolarHBondContact O-NH1 3.46Å; L185-M242 HydrophobicContact CD2-CB 4.12Å; L185-M242 HydrophobicContact CD2-CG 3.77Å; L185-M242 HydrophobicContact CD2-SD 3.84Å
186Q95.3Very high94Very high71 Ų7160.5 Ų60.533%0.33230%0.304SS..  trans-75145.7167.3-164.1-177.69.400109.5S188 V189 D238Q186-S188 WeakPolarHBondContact CG-OG 3.24Å; Q186-S188 PolarHBondContact O-N 2.81Å; Q186-S188 VanDerWaalsContact O-N 3.13Å; Q186-S188 PolarHBondContact OE1-OG 2.87Å; Q186-V189 HydrophobicContact CB-CG2 4.1Å; Q186-V189 WeakPolarHBondContact O-CB 3Å; Q186-V189 WeakPolarHBondContact O-CG2 3.43Å; Q186-V189 PolarHBondContact O-N 3.12Å; Q186-V189 VanDerWaalsContact O-N 3.12Å; Q186-D238 HydrophobicContact CB-CB 4.26Å
187P94.4Very high94.8Very high85 Ų8556.1 Ų56.155%0.55229%0.285SS*.THydrogen-bonded Turntrans-61.6-13.2175.9-28.337.6000116.1P212P187-P212 HydrophobicContact CB-CB 4.06Å
188S94.4Very high95.1Very high68 Ų6856.1 Ų56.148%0.47628%0.284SS..THydrogen-bonded Turntrans-80.2-22173.941.90000113.9Q186 T190Q186-S188 WeakPolarHBondContact CG-OG 3.24Å; Q186-S188 PolarHBondContact O-N 2.81Å; Q186-S188 VanDerWaalsContact O-N 3.13Å; Q186-S188 PolarHBondContact OE1-OG 2.87Å; S188-T190 PolarHBondContact O-N 2.98Å
189V94.8Very high95.3Very high15 Ų1556.5 Ų56.59%0.09129%0.292CS..  trans-62.5121.2-179.1178.80000109L185 Q186 D193 V194 L237 D238L185-V189 HydrophobicContact CB-CB 4.39Å; L185-V189 HydrophobicContact CB-CG2 4.29Å; L185-V189 HydrophobicContact CD1-CG1 4.29Å; Q186-V189 HydrophobicContact CB-CG2 4.1Å; Q186-V189 WeakPolarHBondContact O-CB 3Å; Q186-V189 WeakPolarHBondContact O-CG2 3.43Å; Q186-V189 PolarHBondContact O-N 3.12Å; Q186-V189 VanDerWaalsContact O-N 3.12Å; V189-D193 HydrophobicContact CG1-CB 3.99Å; V189-V194 HydrophobicContact CG1-CG2 3.75Å; V189-L237 HydrophobicContact CG1-CD2 3.84Å; V189-L237 HydrophobicContact CG2-CD2 3.87Å; V189-L237 HydrophobicContact CG2-CG 4.31Å; V189-D238 WeakPolarHBondContact CG2-OD2 3.38Å
190T94.9Very high95.4Very high69 Ų6955.6 Ų55.642%0.42330%0.301SS..  trans-85.9173.9-17974.50000111.5S188 D192 D193 V194S188-T190 PolarHBondContact O-N 2.98Å; T190-D192 PolarHBondContact O-N 2.88Å; T190-D192 PolarHBondContact OG1-N 2.84Å; T190-D193 WeakPolarHBondContact CA-OD2 3.29Å; T190-D193 VanDerWaalsContact CB-OD2 3.26Å; T190-D193 WeakPolarHBondContact CB-OD2 3.29Å; T190-D193 WeakPolarHBondContact CG2-OD2 3.26Å; T190-D193 PolarHBondContact N-OD2 2.78Å; T190-D193 VanDerWaalsContact OG1-CG 3.3Å; T190-D193 PolarHBondContact OG1-N 2.86Å; T190-D193 PolarHBondContact OG1-OD2 2.96Å; T190-V194 WeakPolarHBondContact O-CG2 3.24Å; T190-V194 PolarHBondContact O-N 3.02Å
191L95.5Very high95.4Very high85 Ų8556.4 Ų56.445%0.44531%0.305SS..Hα-helixtrans-64.6-32.1172-174.9149.4000111.7V194 F195 V209L191-V194 PolarHBondContact O-N 3.05Å; L191-F195 WeakPolarHBondContact O-CB 3.39Å; L191-F195 PolarHBondContact O-N 3.17Å; L191-V209 HydrophobicContact CB-CG2 3.91Å; L191-V209 HydrophobicContact CG-CG2 4.37Å
192D95.9Very high95.3Very high111 Ų11155.7 Ų55.759%0.59431%0.306SS*.Hα-helixtrans-70.2-45.7-176-149.841.5000110.7T190 V194 F195 E196T190-D192 PolarHBondContact O-N 2.88Å; T190-D192 PolarHBondContact OG1-N 2.84Å; D192-V194 VanDerWaalsContact C-N 3.27Å; D192-V194 PolarHBondContact O-N 2.82Å; D192-F195 CarbonylContact O-C 3.56Å; D192-F195 WeakPolarHBondContact O-CA 3.45Å; D192-F195 WeakPolarHBondContact O-CB 3.26Å; D192-F195 PolarHBondContact O-N 3.02Å; D192-E196 PolarHBondContact O-N 2.91Å
193D94.9Very high95.2Very high68 Ų6859.7 Ų59.736%0.36433%0.334SS..Hα-helixtrans-57.1-40.2174.8-52.6-61.1000112V189 T190 L197V189-D193 HydrophobicContact CG1-CB 3.99Å; T190-D193 WeakPolarHBondContact CA-OD2 3.29Å; T190-D193 VanDerWaalsContact CB-OD2 3.26Å; T190-D193 WeakPolarHBondContact CB-OD2 3.29Å; T190-D193 WeakPolarHBondContact CG2-OD2 3.26Å; T190-D193 PolarHBondContact N-OD2 2.78Å; T190-D193 VanDerWaalsContact OG1-CG 3.3Å; T190-D193 PolarHBondContact OG1-N 2.86Å; T190-D193 PolarHBondContact OG1-OD2 2.96Å; D193-L197 VanDerWaalsContact O-CB 3.24Å; D193-L197 WeakPolarHBondContact O-CB 3.41Å; D193-L197 PolarHBondContact O-N 3.07Å; D193-L197 VanDerWaalsContact O-N 3.16Å
194V95.9Very high95.1Very high2 Ų256.3 Ų56.31%0.01232%0.323CS..Hα-helixtrans-70.1-40.1175.6179.20000110.8L185 V189 T190 L191 D192 F198 A215 V217L185-V194 HydrophobicContact CD1-CG2 3.99Å; V189-V194 HydrophobicContact CG1-CG2 3.75Å; T190-V194 WeakPolarHBondContact O-CG2 3.24Å; T190-V194 PolarHBondContact O-N 3.02Å; L191-V194 PolarHBondContact O-N 3.05Å; D192-V194 VanDerWaalsContact C-N 3.27Å; D192-V194 PolarHBondContact O-N 2.82Å; V194-F198 HydrophobicContact CG1-CD2 3.86Å; V194-F198 HydrophobicContact CG1-CE2 4.27Å; V194-F198 WeakPolarHBondContact O-CB 3.42Å; V194-F198 WeakPolarHBondContact O-CD2 3.39Å; V194-F198 PolarHBondContact O-N 2.88Å; V194-F198 VanDerWaalsContact O-N 3.08Å; V194-A215 HydrophobicContact CG1-CB 4.06Å; V194-A215 HydrophobicContact CG2-CB 4.11Å; V194-V217 HydrophobicContact CG1-CG2 3.93Å
195F95.9Very high95Very high89 Ų8959 Ų5939%0.3933%0.328SS..Hα-helixtrans-64.9-49.7178.9-176.8-94.5000111.4L191 D192 L197 S199 L204 C207L191-F195 WeakPolarHBondContact O-CB 3.39Å; L191-F195 PolarHBondContact O-N 3.17Å; D192-F195 CarbonylContact O-C 3.56Å; D192-F195 WeakPolarHBondContact O-CA 3.45Å; D192-F195 WeakPolarHBondContact O-CB 3.26Å; D192-F195 PolarHBondContact O-N 3.02Å; F195-L197 PolarHBondContact O-N 3Å; F195-S199 WeakPolarHBondContact O-CB 3.3Å; F195-S199 PolarHBondContact O-N 3.28Å; F195-L204 HydrophobicContact CD2-CD1 3.78Å; F195-L204 HydrophobicContact CE2-CB 4.16Å; F195-L204 HydrophobicContact CE2-CD1 4.1Å; F195-L204 HydrophobicContact CG-CD1 4.44Å; F195-C207 HydrophobicContact CD2-CB 4.04Å
196E95.4Very high94.8Very high143 Ų14362.9 Ų62.967%0.66835%0.349SS*.Hα-helixtrans-58.1-49.2177.5-173.2179.7176.800111.1D192 F198D192-E196 PolarHBondContact O-N 2.91Å; E196-F198 PolarHBondContact O-N 2.79Å
197L94.7Very high94.8Very high30 Ų3060.1 Ų60.116%0.15734%0.337CS..Hα-helixtrans-60.6-50.7-178.2-171.964.3000112.1D193 F195 S200 Y232 L237 M242D193-L197 VanDerWaalsContact O-CB 3.24Å; D193-L197 WeakPolarHBondContact O-CB 3.41Å; D193-L197 PolarHBondContact O-N 3.07Å; D193-L197 VanDerWaalsContact O-N 3.16Å; F195-L197 PolarHBondContact O-N 3Å; L197-S200 PolarHBondContact O-OG 3.11Å; L197-Y232 HydrophobicContact CD1-CD1 4.18Å; L197-Y232 HydrophobicContact CD1-CE1 3.42Å; L197-Y232 VanDerWaalsContact CD1-CE1 3.42Å; L197-Y232 HydrophobicContact CD2-CD1 4.33Å; L197-Y232 HydrophobicContact CD2-CE1 4.34Å; L197-Y232 HydrophobicContact CG-CD1 4.2Å; L197-Y232 HydrophobicContact CG-CE1 3.77Å; L197-Y232 HydrophobicContact CG-CE2 4.37Å; L197-Y232 PolarHBondContact O-OH 3.14Å; L197-L237 HydrophobicContact CD2-CD1 4.45Å; L197-L237 HydrophobicContact CD2-CD2 4.35Å; L197-M242 HydrophobicContact CD2-CE 3.63Å; L197-M242 HydrophobicContact CD2-SD 4.39Å
198F96Very high94.8Very high1 Ų158.6 Ų58.60%0.00433%0.326CS..Hα-helixtrans-79.8-24.7-175.2-78.2-88.9000113.6I182 V194 E196 S200 V201 L204 V217 Y219 A228 Y232 M242 V244I182-F198 HydrophobicContact CD1-CE2 4.38Å; I182-F198 HydrophobicContact CD1-CZ 4.25Å; I182-F198 HydrophobicContact CG1-CE1 4.16Å; I182-F198 HydrophobicContact CG1-CE2 3.75Å; I182-F198 HydrophobicContact CG1-CZ 3.47Å; I182-F198 VanDerWaalsContact CG1-CZ 3.47Å; I182-F198 HydrophobicContact CG2-CE2 4.47Å; I182-F198 HydrophobicContact CG2-CZ 4.4Å; V194-F198 HydrophobicContact CG1-CD2 3.86Å; V194-F198 HydrophobicContact CG1-CE2 4.27Å; V194-F198 WeakPolarHBondContact O-CB 3.42Å; V194-F198 WeakPolarHBondContact O-CD2 3.39Å; V194-F198 PolarHBondContact O-N 2.88Å; V194-F198 VanDerWaalsContact O-N 3.08Å; E196-F198 PolarHBondContact O-N 2.79Å; F198-S200 PolarHBondContact O-N 2.82Å; F198-V201 PolarHBondContact O-N 2.79Å; F198-L204 HydrophobicContact CB-CD1 3.96Å; F198-L204 HydrophobicContact CB-CD2 4.21Å; F198-V217 HydrophobicContact CB-CG1 4.31Å; F198-V217 HydrophobicContact CB-CG2 4.29Å; F198-V217 HydrophobicContact CD2-CG2 4.44Å; F198-V217 HydrophobicContact CG-CG2 4.24Å; F198-Y219 WeakPolarHBondContact CB-OH 3.02Å; F198-Y219 WeakPolarHBondContact CD1-OH 3.39Å; F198-Y219 PolarHBondContact O-OH 3.5Å; F198-A228 HydrophobicContact CD1-CB 4.06Å; F198-A228 HydrophobicContact CE1-CB 4.22Å; F198-Y232 HydrophobicContact CD1-CD2 4.09Å; F198-Y232 AromaticContact CE1-CD2 3.85Å; F198-Y232 HydrophobicContact CE1-CD2 3.85Å; F198-Y232 HydrophobicContact CE1-CG 4.43Å; F198-Y232 HydrophobicContact CZ-CD2 4.25Å; F198-Y232 HydrophobicContact CZ-CG 4.45Å; F198-M242 HydrophobicContact CE2-CE 4.43Å; F198-M242 HydrophobicContact CE2-SD 3.72Å; F198-M242 HydrophobicContact CZ-CE 4.32Å; F198-M242 HydrophobicContact CZ-SD 3.65Å; F198-V244 HydrophobicContact CE1-CG1 4Å; F198-V244 HydrophobicContact CE1-CG2 4.43Å; F198-V244 HydrophobicContact CZ-CG1 4.25Å; F198-V244 HydrophobicContact CZ-CG2 4Å
199S95.7Very high94.8Very high51 Ų5158.1 Ų58.136%0.35732%0.32SS..Hα-helixtrans-66.1-24.8175.1-1730000112.8F195 V201 G202F195-S199 WeakPolarHBondContact O-CB 3.3Å; F195-S199 PolarHBondContact O-N 3.28Å; S199-V201 PolarHBondContact O-N 3.14Å; S199-G202 PolarHBondContact O-N 3.14Å
200S94.9Very high94.8Very high76 Ų7660.9 Ų60.953%0.53134%0.338SS..THydrogen-bonded Turntrans-65.8-14.5176.173.90000115L197 F198 Y232L197-S200 PolarHBondContact O-OG 3.11Å; F198-S200 PolarHBondContact O-N 2.82Å; S200-Y232 PolarHBondContact OG-OH 2.82Å
201V94.9Very high94.7Very high17 Ų1765.3 Ų65.310%0.10335%0.346CS..THydrogen-bonded Turntrans-95.2-36.1177.2174.80000112.1F198 S199 D224 E227 A228 Y232F198-V201 PolarHBondContact O-N 2.79Å; S199-V201 PolarHBondContact O-N 3.14Å; V201-D224 VanDerWaalsContact CG1-O 3.32Å; V201-D224 WeakPolarHBondContact CG1-O 3.39Å; V201-E227 HydrophobicContact CG1-CB 3.79Å; V201-E227 HydrophobicContact CG1-CG 3.76Å; V201-A228 HydrophobicContact CB-CB 4.36Å; V201-A228 HydrophobicContact CG1-CB 4.05Å; V201-A228 HydrophobicContact CG2-CB 4.35Å; V201-Y232 HydrophobicContact CG2-CD2 4.31Å; V201-Y232 HydrophobicContact CG2-CE2 3.52Å
202G93.8Very high94.6Very high16 Ų1666.3 Ų66.317%0.16536%0.358CS..SBendtrans178.4171.5-17700000112.5S199 L204S199-G202 PolarHBondContact O-N 3.14Å; G202-L204 PolarHBondContact O-N 3.48Å; G202-L204 VanDerWaalsContact O-N 3.12Å
203S94.2Very high94.5Very high83 Ų8361.6 Ų61.658%0.5834%0.336SS*.  trans-68.5110.9-172.7-59.10000112
204L94.1Very high94.6Very high28 Ų2861 Ų6115%0.14733%0.331CS..EExtended strand (participates in β ladder)trans-73.2132.2174.9-52.4-166.7000110.3F195 F198 G202 V217 Y219F195-L204 HydrophobicContact CD2-CD1 3.78Å; F195-L204 HydrophobicContact CE2-CB 4.16Å; F195-L204 HydrophobicContact CE2-CD1 4.1Å; F195-L204 HydrophobicContact CG-CD1 4.44Å; F198-L204 HydrophobicContact CB-CD1 3.96Å; F198-L204 HydrophobicContact CB-CD2 4.21Å; G202-L204 PolarHBondContact O-N 3.48Å; G202-L204 VanDerWaalsContact O-N 3.12Å; L204-V217 HydrophobicContact CD1-CG1 3.89Å; L204-V217 HydrophobicContact CD2-CG1 3.4Å; L204-V217 VanDerWaalsContact CD2-CG1 3.4Å; L204-V217 HydrophobicContact CG-CG1 4.13Å; L204-Y219 HydrophobicContact CD2-CD1 3.79Å; L204-Y219 HydrophobicContact CD2-CE1 3.25Å; L204-Y219 HydrophobicContact CD2-CE2 4.1Å; L204-Y219 HydrophobicContact CD2-CG 4.42Å; L204-Y219 VanDerWaalsContact CD2-CZ 3.43Å
205R92.6Very high94.6Very high124 Ų12461 Ų6147%0.46833%0.331SS..EExtended strand (participates in β ladder)trans-91.3-33.4173.1-175.1174.8169.6-155.3-5.3112.6I175 I218I175-R205 PolarHBondContact O-NH1 2.81Å; I175-R205 PolarHBondContact O-NH2 2.91Å; R205-I218 HydrophobicContact CB-CG2 4.48Å; R205-I218 WeakPolarHBondContact CB-O 3.24Å; R205-I218 PolarHBondContact N-O 2.79Å
206L93Very high94.6Very high88 Ų8858.1 Ų58.146%0.46132%0.319SS..EExtended strand (participates in β ladder)trans-153.7138.7176-178.163.4000109.1T208 V217 I218L206-T208 HydrophobicContact CD1-CG2 3.99Å; L206-T208 HydrophobicContact CD2-CG2 4.21Å; L206-T208 HydrophobicContact CG-CG2 4.01Å; L206-V217 CarbonylContact O-C 3.6Å; L206-V217 WeakPolarHBondContact O-CA 3.41Å; L206-I218 HydrophobicContact CB-CB 4.22Å; L206-I218 HydrophobicContact CB-CD1 4.19Å; L206-I218 HydrophobicContact CB-CG1 4.27Å; L206-I218 HydrophobicContact CD2-CD1 3.99Å; L206-I218 PolarHBondContact N-O 2.83Å; L206-I218 PolarHBondContact O-N 3.5Å
207C94.6Very high94.6Very high14 Ų1451.3 Ų51.310%0.09529%0.287CS..EExtended strand (participates in β ladder)trans-125.6131.5167178.70000107.7F195 V217F195-C207 HydrophobicContact CD2-CB 4.04Å; C207-V217 HydrophobicContact CB-CG2 4.44Å
208T94.9Very high94.6Very high53 Ų5351.5 Ų51.533%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-141.2144.7173.160.80000111.1L206 A215 E216L206-T208 HydrophobicContact CD1-CG2 3.99Å; L206-T208 HydrophobicContact CD2-CG2 4.21Å; L206-T208 HydrophobicContact CG-CG2 4.01Å; T208-A215 CarbonylContact O-C 3.58Å; T208-A215 WeakPolarHBondContact O-CA 3.16Å; T208-E216 PolarHBondContact N-O 2.79Å; T208-E216 PolarHBondContact O-N 2.92Å
209V95.1Very high94.5Very high57 Ų5751.4 Ų51.435%0.34529%0.287SS..EExtended strand (participates in β ladder)trans-96.7110.2170.8-179.20000107.8L191 R211 A215L191-V209 HydrophobicContact CB-CG2 3.91Å; L191-V209 HydrophobicContact CG-CG2 4.37Å; V209-R211 WeakPolarHBondContact CG1-O 3.41Å; V209-A215 HydrophobicContact CG2-CB 4.26Å
210T94Very high94.3Very high74 Ų7452.3 Ų52.345%0.45429%0.288SS..EExtended strand (participates in β ladder)trans-75.6-38.5-176.4-41.80000111.8Q214T210-Q214 PolarHBondContact N-O 2.82Å
211R93.6Very high94.1Very high161 Ų16153.9 Ų53.961%0.60829%0.287SS*.EExtended strand (participates in β ladder)trans-152.7156.4-178.9-60.1-175.6-177.1159.5-1.5109.4V209 G213 Q214V209-R211 WeakPolarHBondContact CG1-O 3.41Å; R211-G213 PolarHBondContact O-N 2.86Å; R211-G213 VanDerWaalsContact O-N 3.1Å; R211-Q214 HydrophobicContact CB-CB 4.27Å; R211-Q214 PolarHBondContact N-O 3.08Å; R211-Q214 VanDerWaalsContact N-O 3.15Å; R211-Q214 CarbonylContact O-C 3.53Å; R211-Q214 PolarHBondContact O-N 3.16Å
212P93.3Very high93.9Very high106 Ų10654.9 Ų54.969%0.68829%0.294SS*.THydrogen-bonded Turntrans-54.5121.2168.722.9-33.7000110.1P187P187-P212 HydrophobicContact CB-CB 4.06Å
213G93.7Very high93.9Very high12 Ų1257 Ų5712%0.12431%0.307CS..THydrogen-bonded Turntrans88.30.4-174.500000116.6N184 L185 R211N184-G213 PolarHBondContact N-O 3.48Å; N184-G213 VanDerWaalsContact N-O 3.12Å; L185-G213 PolarHBondContact N-O 2.9Å; L185-G213 VanDerWaalsContact N-O 3.13Å; L185-G213 WeakPolarHBondContact O-CA 3.43Å; R211-G213 PolarHBondContact O-N 2.86Å; R211-G213 VanDerWaalsContact O-N 3.1Å
214Q96Very high93.9Very high57 Ų5754.1 Ų54.127%0.26629%0.285SS..EExtended strand (participates in β ladder)trans-140.2123.5177.9-60.3-173.8-42.500112.3I182 T210 R211I182-Q214 WeakPolarHBondContact O-CA 3.46Å; T210-Q214 PolarHBondContact N-O 2.82Å; R211-Q214 HydrophobicContact CB-CB 4.27Å; R211-Q214 PolarHBondContact N-O 3.08Å; R211-Q214 VanDerWaalsContact N-O 3.15Å; R211-Q214 CarbonylContact O-C 3.53Å; R211-Q214 PolarHBondContact O-N 3.16Å
215A96.7Very high93.9Very high1 Ų152.8 Ų52.81%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-13016417900000111.4I182 L185 V194 T208 V209I182-A215 WeakPolarHBondContact CA-O 3.28Å; I182-A215 HydrophobicContact CB-CB 4.36Å; I182-A215 WeakPolarHBondContact CB-O 3.33Å; I182-A215 WeakPolarHBondContact CD1-O 3.35Å; I182-A215 PolarHBondContact N-O 3.01Å; I182-A215 PolarHBondContact O-N 2.74Å; L185-A215 HydrophobicContact CD1-CB 3.97Å; V194-A215 HydrophobicContact CG1-CB 4.06Å; V194-A215 HydrophobicContact CG2-CB 4.11Å; T208-A215 CarbonylContact O-C 3.58Å; T208-A215 WeakPolarHBondContact O-CA 3.16Å; V209-A215 HydrophobicContact CG2-CB 4.26Å
216E95.1Very high93.9Very high29 Ų2949.4 Ų49.414%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-138.8138-179.7-65-177160.500110.6R179 V180 E181 T208R179-E216 IonicContact CZ-OE1 2.81Å; R179-E216 IonicContact CZ-OE2 3.45Å; R179-E216 VanDerWaalsContact NE-CD 3.34Å; R179-E216 IonicContact NE-OE1 2.84Å; R179-E216 PolarHBondContact NE-OE1 2.92Å; R179-E216 IonicContact NE-OE2 3.2Å; R179-E216 PolarHBondContact NE-OE2 3.41Å; R179-E216 IonicContact NH2-OE1 2.76Å; R179-E216 PolarHBondContact NH2-OE1 2.93Å; R179-E216 IonicContact NH2-OE2 2.71Å; R179-E216 PolarHBondContact NH2-OE2 2.93Å; V180-E216 WeakPolarHBondContact O-CA 3.45Å; E181-E216 HydrophobicContact CG-CG 4.46Å; T208-E216 PolarHBondContact N-O 2.79Å; T208-E216 PolarHBondContact O-N 2.92Å
217V95.4Very high94Very high0 Ų048.5 Ų48.50%026%0.262CS..EExtended strand (participates in β ladder)trans-130.7139.9-177.51740000108.6R179 V180 I182 V194 F198 L204 L206 C207 Y219R179-V217 WeakPolarHBondContact CA-O 3.41Å; V180-V217 PolarHBondContact N-O 2.92Å; V180-V217 PolarHBondContact O-N 3.36Å; I182-V217 HydrophobicContact CD1-CB 4.1Å; I182-V217 HydrophobicContact CD1-CG2 3.76Å; V194-V217 HydrophobicContact CG1-CG2 3.93Å; F198-V217 HydrophobicContact CB-CG1 4.31Å; F198-V217 HydrophobicContact CB-CG2 4.29Å; F198-V217 HydrophobicContact CD2-CG2 4.44Å; F198-V217 HydrophobicContact CG-CG2 4.24Å; L204-V217 HydrophobicContact CD1-CG1 3.89Å; L204-V217 HydrophobicContact CD2-CG1 3.4Å; L204-V217 VanDerWaalsContact CD2-CG1 3.4Å; L204-V217 HydrophobicContact CG-CG1 4.13Å; L206-V217 CarbonylContact O-C 3.6Å; L206-V217 WeakPolarHBondContact O-CA 3.41Å; C207-V217 HydrophobicContact CB-CG2 4.44Å; V217-Y219 HydrophobicContact CG1-CD2 4.18Å; V217-Y219 HydrophobicContact CG1-CE2 3.8Å
218I94.4Very high94.1Very high33 Ų3347.9 Ų47.917%0.16926%0.258CS..EExtended strand (participates in β ladder)trans-117.3119.9177.3-54.4-176.1000109Q176 F178 R179 R205 L206Q176-I218 WeakPolarHBondContact O-CG2 3.35Å; F178-I218 WeakPolarHBondContact O-CA 3.33Å; R179-I218 HydrophobicContact CB-CG1 4.31Å; R179-I218 HydrophobicContact CG-CG1 4.27Å; R205-I218 HydrophobicContact CB-CG2 4.48Å; R205-I218 WeakPolarHBondContact CB-O 3.24Å; R205-I218 PolarHBondContact N-O 2.79Å; L206-I218 HydrophobicContact CB-CB 4.22Å; L206-I218 HydrophobicContact CB-CD1 4.19Å; L206-I218 HydrophobicContact CB-CG1 4.27Å; L206-I218 HydrophobicContact CD2-CD1 3.99Å; L206-I218 PolarHBondContact N-O 2.83Å; L206-I218 PolarHBondContact O-N 3.5Å
219Y94.7Very high94.1Very high0 Ų046.9 Ų46.90%025%0.25CC..EExtended strand (participates in β ladder)trans-92.7156.8173.2-73.4-86.7000112G177 F178 V180 F198 L204 V217 D224 A225 A228G177-Y219 CarbonylContact C-O 3.57Å; G177-Y219 VanDerWaalsContact CA-O 3.3Å; G177-Y219 WeakPolarHBondContact CA-O 3.41Å; F178-Y219 PolarHBondContact N-O 2.79Å; F178-Y219 PolarHBondContact O-N 3.03Å; V180-Y219 HydrophobicContact CG2-CD2 3.94Å; V180-Y219 HydrophobicContact CG2-CE2 4.07Å; F198-Y219 WeakPolarHBondContact CB-OH 3.02Å; F198-Y219 WeakPolarHBondContact CD1-OH 3.39Å; F198-Y219 PolarHBondContact O-OH 3.5Å; L204-Y219 HydrophobicContact CD2-CD1 3.79Å; L204-Y219 HydrophobicContact CD2-CE1 3.25Å; L204-Y219 HydrophobicContact CD2-CE2 4.1Å; L204-Y219 HydrophobicContact CD2-CG 4.42Å; L204-Y219 VanDerWaalsContact CD2-CZ 3.43Å; V217-Y219 HydrophobicContact CG1-CD2 4.18Å; V217-Y219 HydrophobicContact CG1-CE2 3.8Å; Y219-D224 HydrophobicContact CD1-CB 3.4Å; Y219-D224 VanDerWaalsContact CD1-CB 3.4Å; Y219-D224 HydrophobicContact CE1-CB 3.87Å; Y219-D224 HydrophobicContact CG-CB 4Å; Y219-A225 HydrophobicContact CD2-CB 3.85Å; Y219-A225 HydrophobicContact CG-CB 4.24Å; Y219-A228 HydrophobicContact CE2-CB 3.91Å; Y219-A228 WeakPolarHBondContact OH-CB 3.42Å
220N92Very high94.2Very high70 Ų7052.2 Ų52.237%0.37427%0.271SS..SBendtrans-73.6-36.8171.1-67.8-40.5000112.3
221H90.7Very high94.2Very high109 Ų10955.1 Ų55.151%0.50527%0.274SS..SBendtrans-117.4154.8-175.8-55.4-67.4000112.6F178 S223 D224F178-H221 WeakPolarHBondContact CD2-O 3.46Å; H221-S223 WeakPolarHBondContact CB-OG 3.48Å; H221-D224 IonicContact CD2-OD2 3.43Å
222S90.3Very high94.3Very high37 Ų3748 Ų4826%0.25925%0.247SC..Hα-helixtrans-73.5-32.217747.50000112.2F178 A225 L226F178-S222 VanDerWaalsContact CD2-N 3.3Å; F178-S222 VanDerWaalsContact CE2-N 3.29Å; S222-A225 PolarHBondContact O-N 2.74Å; S222-L226 WeakPolarHBondContact O-CB 3.41Å; S222-L226 WeakPolarHBondContact O-CD1 3.38Å; S222-L226 WeakPolarHBondContact O-CG 3.4Å; S222-L226 PolarHBondContact O-N 3.49Å; S222-L226 VanDerWaalsContact O-N 3.08Å
223S92.8Very high94.5Very high61 Ų6147.3 Ų47.343%0.42724%0.238SC..Hα-helixtrans-49.7-58.517239.20000111H221 A225 L226 E227H221-S223 WeakPolarHBondContact CB-OG 3.48Å; S223-A225 VanDerWaalsContact C-N 3.32Å; S223-A225 PolarHBondContact O-N 3.23Å; S223-L226 PolarHBondContact O-N 2.94Å; S223-L226 VanDerWaalsContact O-N 3.08Å; S223-E227 WeakPolarHBondContact O-CB 3.32Å; S223-E227 PolarHBondContact O-N 3.3Å
224D94.4Very high94.5Very high23 Ų2349 Ų4912%0.12326%0.256CS..Hα-helixtrans-64.5-40.2-171.9-41.92.5000110.3V201 Y219 H221 L226 A228V201-D224 VanDerWaalsContact CG1-O 3.32Å; V201-D224 WeakPolarHBondContact CG1-O 3.39Å; Y219-D224 HydrophobicContact CD1-CB 3.4Å; Y219-D224 VanDerWaalsContact CD1-CB 3.4Å; Y219-D224 HydrophobicContact CE1-CB 3.87Å; Y219-D224 HydrophobicContact CG-CB 4Å; H221-D224 IonicContact CD2-OD2 3.43Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 3.42Å; D224-A228 VanDerWaalsContact O-CB 3.24Å; D224-A228 WeakPolarHBondContact O-CB 3.49Å; D224-A228 PolarHBondContact O-N 3.1Å
225A93.9Very high94.5Very high0 Ų053.1 Ų53.10%027%0.269CS..Hα-helixtrans-64.2-36.317600000113.1F178 V180 Y219 S222 S223 I229 L246F178-A225 HydrophobicContact CB-CB 3.82Å; V180-A225 HydrophobicContact CG2-CB 3.76Å; Y219-A225 HydrophobicContact CD2-CB 3.85Å; Y219-A225 HydrophobicContact CG-CB 4.24Å; S222-A225 PolarHBondContact O-N 2.74Å; S223-A225 VanDerWaalsContact C-N 3.32Å; S223-A225 PolarHBondContact O-N 3.23Å; A225-I229 VanDerWaalsContact O-CD1 3.26Å; A225-I229 WeakPolarHBondContact O-CD1 3.33Å; A225-I229 VanDerWaalsContact O-CG1 3.29Å; A225-I229 WeakPolarHBondContact O-CG1 3.28Å; A225-I229 PolarHBondContact O-N 3.3Å; A225-L246 HydrophobicContact CB-CD1 3.96Å
226L93.9Very high94.4Very high53 Ų5359.5 Ų59.528%0.27730%0.298SS..Hα-helixtrans-77.9-42.3178.6-68170.5000111.8S222 S223 D224 A228 I229 E230 L246 L253S222-L226 WeakPolarHBondContact O-CB 3.41Å; S222-L226 WeakPolarHBondContact O-CD1 3.38Å; S222-L226 WeakPolarHBondContact O-CG 3.4Å; S222-L226 PolarHBondContact O-N 3.49Å; S222-L226 VanDerWaalsContact O-N 3.08Å; S223-L226 PolarHBondContact O-N 2.94Å; S223-L226 VanDerWaalsContact O-N 3.08Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 3.42Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 3.02Å; L226-I229 WeakPolarHBondContact O-CB 3.44Å; L226-I229 PolarHBondContact O-N 3.39Å; L226-I229 VanDerWaalsContact O-N 3.11Å; L226-E230 PolarHBondContact O-N 2.93Å; L226-L246 HydrophobicContact CD2-CD2 4.12Å; L226-L253 HydrophobicContact CD1-CD1 3.73Å; L226-L253 HydrophobicContact CD1-CD2 4.22Å; L226-L253 HydrophobicContact CD1-CG 4.14Å; L226-L253 HydrophobicContact CD2-CD1 3.55Å; L226-L253 HydrophobicContact CG-CD1 4.29Å
227E95.5Very high94.4Very high69 Ų6959.8 Ų59.832%0.32230%0.301SS..Hα-helixtrans-59.3-38.9173.7-173.5174.7140.500111.3V201 S223 E230 R231V201-E227 HydrophobicContact CG1-CB 3.79Å; V201-E227 HydrophobicContact CG1-CG 3.76Å; S223-E227 WeakPolarHBondContact O-CB 3.32Å; S223-E227 PolarHBondContact O-N 3.3Å; E227-E230 PolarHBondContact O-N 3.48Å; E227-R231 WeakPolarHBondContact O-CB 3.47Å; E227-R231 WeakPolarHBondContact O-CG 3.48Å; E227-R231 PolarHBondContact O-N 3.26Å; E227-R231 IonicContact OE1-CZ 3.09Å; E227-R231 IonicContact OE1-NE 2.67Å; E227-R231 IonicContact OE1-NH1 2.66Å; E227-R231 PolarHBondContact OE1-NH1 3.33Å; E227-R231 IonicContact OE1-NH2 3.32Å; E227-R231 PolarHBondContact OE1-NH2 2.93Å
228A95.5Very high94.3Very high0 Ų064.3 Ų64.30%033%0.325CS..Hα-helixtrans-64.9-40.9174.200000111.9F198 V201 Y219 D224 L226 Y232F198-A228 HydrophobicContact CD1-CB 4.06Å; F198-A228 HydrophobicContact CE1-CB 4.22Å; V201-A228 HydrophobicContact CB-CB 4.36Å; V201-A228 HydrophobicContact CG1-CB 4.05Å; V201-A228 HydrophobicContact CG2-CB 4.35Å; Y219-A228 HydrophobicContact CE2-CB 3.91Å; Y219-A228 WeakPolarHBondContact OH-CB 3.42Å; D224-A228 VanDerWaalsContact O-CB 3.24Å; D224-A228 WeakPolarHBondContact O-CB 3.49Å; D224-A228 PolarHBondContact O-N 3.1Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 3.02Å; A228-Y232 HydrophobicContact CB-CD2 4.45Å; A228-Y232 VanDerWaalsContact O-CB 3.24Å; A228-Y232 WeakPolarHBondContact O-CB 3.26Å; A228-Y232 WeakPolarHBondContact O-CD2 3.43Å; A228-Y232 PolarHBondContact O-N 3.19Å
229I95.6Very high94.2Very high32 Ų3265.6 Ų65.616%0.16435%0.346CS..Hα-helixtrans-64.6-45175.3-69.5157.9000110.7V180 A225 L226 N233 V244 L246V180-I229 HydrophobicContact CG1-CG1 4.3Å; A225-I229 VanDerWaalsContact O-CD1 3.26Å; A225-I229 WeakPolarHBondContact O-CD1 3.33Å; A225-I229 VanDerWaalsContact O-CG1 3.29Å; A225-I229 WeakPolarHBondContact O-CG1 3.28Å; A225-I229 PolarHBondContact O-N 3.3Å; L226-I229 WeakPolarHBondContact O-CB 3.44Å; L226-I229 PolarHBondContact O-N 3.39Å; L226-I229 VanDerWaalsContact O-N 3.11Å; I229-N233 HydrophobicContact CG2-CB 4.36Å; I229-N233 WeakPolarHBondContact O-CB 3.4Å; I229-N233 PolarHBondContact O-N 2.93Å; I229-V244 HydrophobicContact CB-CG1 4.43Å; I229-V244 HydrophobicContact CG1-CB 4.39Å; I229-V244 HydrophobicContact CG1-CG1 3.7Å; I229-L246 HydrophobicContact CD1-CB 3.58Å; I229-L246 HydrophobicContact CD1-CD1 4.14Å; I229-L246 HydrophobicContact CD1-CG 4.37Å
230E95.7Very high94.2Very high170 Ų17070.7 Ų70.779%0.79437%0.366SS*.Hα-helixtrans-64.7-41.1-179.4-173.4168.5-163.600112.5L226 E227L226-E230 PolarHBondContact O-N 2.93Å; E227-E230 PolarHBondContact O-N 3.48Å
231R95.2Very high94.4Very high134 Ų13470.2 Ų70.251%0.50637%0.366SS..Hα-helixtrans-76.1-32.9179.8-72.3178.5177.5166.18.2114.7E227E227-R231 WeakPolarHBondContact O-CB 3.47Å; E227-R231 WeakPolarHBondContact O-CG 3.48Å; E227-R231 PolarHBondContact O-N 3.26Å; E227-R231 IonicContact OE1-CZ 3.09Å; E227-R231 IonicContact OE1-NE 2.67Å; E227-R231 IonicContact OE1-NH1 2.66Å; E227-R231 PolarHBondContact OE1-NH1 3.33Å; E227-R231 IonicContact OE1-NH2 3.32Å; E227-R231 PolarHBondContact OE1-NH2 2.93Å
232Y96.3Very high94.7Very high12 Ų1265.1 Ų65.15%0.04734%0.343CS..Hα-helixtrans-111.8-18.7-168-68.1-53.1000115.4L197 F198 S200 V201 A228 G234 R235 M242L197-Y232 HydrophobicContact CD1-CD1 4.18Å; L197-Y232 HydrophobicContact CD1-CE1 3.42Å; L197-Y232 VanDerWaalsContact CD1-CE1 3.42Å; L197-Y232 HydrophobicContact CD2-CD1 4.33Å; L197-Y232 HydrophobicContact CD2-CE1 4.34Å; L197-Y232 HydrophobicContact CG-CD1 4.2Å; L197-Y232 HydrophobicContact CG-CE1 3.77Å; L197-Y232 HydrophobicContact CG-CE2 4.37Å; L197-Y232 PolarHBondContact O-OH 3.14Å; F198-Y232 HydrophobicContact CD1-CD2 4.09Å; F198-Y232 AromaticContact CE1-CD2 3.85Å; F198-Y232 HydrophobicContact CE1-CD2 3.85Å; F198-Y232 HydrophobicContact CE1-CG 4.43Å; F198-Y232 HydrophobicContact CZ-CD2 4.25Å; F198-Y232 HydrophobicContact CZ-CG 4.45Å; S200-Y232 PolarHBondContact OG-OH 2.82Å; V201-Y232 HydrophobicContact CG2-CD2 4.31Å; V201-Y232 HydrophobicContact CG2-CE2 3.52Å; A228-Y232 HydrophobicContact CB-CD2 4.45Å; A228-Y232 VanDerWaalsContact O-CB 3.24Å; A228-Y232 WeakPolarHBondContact O-CB 3.26Å; A228-Y232 WeakPolarHBondContact O-CD2 3.43Å; A228-Y232 PolarHBondContact O-N 3.19Å; Y232-G234 PolarHBondContact O-N 2.85Å; Y232-G234 VanDerWaalsContact O-N 3.14Å; Y232-R235 PolarHBondContact O-N 2.61Å; Y232-R235 VanDerWaalsContact O-N 3.11Å; Y232-M242 HydrophobicContact CD1-CE 4.04Å; Y232-M242 HydrophobicContact CG-CE 4.08Å
233N96Very high94.9Very high91 Ų9170.9 Ų70.949%0.48736%0.359SS..THydrogen-bonded Turntrans-68.9113.7178-176.148.8000111.4I229 V244I229-N233 HydrophobicContact CG2-CB 4.36Å; I229-N233 WeakPolarHBondContact O-CB 3.4Å; I229-N233 PolarHBondContact O-N 2.93Å; N233-V244 HydrophobicContact CB-CB 4.1Å; N233-V244 HydrophobicContact CB-CG2 4.48Å; N233-V244 PolarHBondContact OD1-N 2.89Å; N233-V244 VanDerWaalsContact OD1-N 3.14Å; N233-V244 PolarHBondContact OD1-O 2.81Å
234G95.3Very high95.1Very high49 Ų4968.2 Ų68.251%0.50534%0.34SS..THydrogen-bonded Turntrans92.8-5.4-175.900000114.6Y232 M242Y232-G234 PolarHBondContact O-N 2.85Å; Y232-G234 VanDerWaalsContact O-N 3.14Å; G234-M242 WeakPolarHBondContact CA-O 3.48Å; G234-M242 PolarHBondContact N-O 3.41Å
235R95.8Very high95.1Very high142 Ų14269.2 Ų69.254%0.53635%0.349SS..  trans-73.2141.1175-173175.6176.3168-6.8110.3Y232 M242Y232-R235 PolarHBondContact O-N 2.61Å; Y232-R235 VanDerWaalsContact O-N 3.11Å; R235-M242 WeakPolarHBondContact O-CB 3.47Å; R235-M242 PolarHBondContact O-N 2.76Å
236E94.6Very high95.1Very high136 Ų13671.6 Ų71.664%0.63636%0.361SS*.EExtended strand (participates in β ladder)trans-79.2133.4177.2-64.4-179.7175.600111.7R240 P241E236-R240 WeakPolarHBondContact CA-O 3.32Å; E236-P241 HydrophobicContact CG-CB 4.46Å
237L93.5Very high94.9Very high35 Ų3572.1 Ų72.118%0.18337%0.367CS..EExtended strand (participates in β ladder)trans-125.1125.5165.8-171.568.2000106.6L185 V189 L197 G239 R240L185-L237 HydrophobicContact CD2-CD2 4.14Å; V189-L237 HydrophobicContact CG1-CD2 3.84Å; V189-L237 HydrophobicContact CG2-CD2 3.87Å; V189-L237 HydrophobicContact CG2-CG 4.31Å; L197-L237 HydrophobicContact CD2-CD1 4.45Å; L197-L237 HydrophobicContact CD2-CD2 4.35Å; L237-G239 PolarHBondContact O-N 2.79Å; L237-R240 PolarHBondContact N-O 3.27Å; L237-R240 PolarHBondContact O-N 2.96Å
238D93.4Very high94.3Very high94 Ų9469.4 Ų69.450%0.50336%0.355SS..THydrogen-bonded Turntrans45.843-172.5-50.3-30.7000114.7Q186 V189 R240Q186-D238 HydrophobicContact CB-CB 4.26Å; V189-D238 WeakPolarHBondContact CG2-OD2 3.38Å; D238-R240 VanDerWaalsContact C-N 3.27Å; D238-R240 PolarHBondContact O-N 2.68Å
239G93.5Very high93Very high61 Ų6173.2 Ų73.263%0.62938%0.379SS*.THydrogen-bonded Turntrans71.114.9-179.500000114.9L237L237-G239 PolarHBondContact O-N 2.79Å
240R94Very high91.4Very high107 Ų10772.5 Ų72.540%0.40438%0.377SS..EExtended strand (participates in β ladder)trans-117.8130.2171-72.7-173.4168.3-163.2-5.2111.9L185 E236 L237 D238 M242L185-R240 PolarHBondContact O-NH1 3.46Å; E236-R240 WeakPolarHBondContact CA-O 3.32Å; L237-R240 PolarHBondContact N-O 3.27Å; L237-R240 PolarHBondContact O-N 2.96Å; D238-R240 VanDerWaalsContact C-N 3.27Å; D238-R240 PolarHBondContact O-N 2.68Å; R240-M242 PolarHBondContact O-N 3.33Å; R240-M242 VanDerWaalsContact O-N 3.14Å
241P96.3Very high89.7Confident59 Ų5968.2 Ų68.238%0.38337%0.365SS..EExtended strand (participates in β ladder)trans-70.6112176.128-33.6000110.1N184 E236N184-P241 PolarHBondContact ND2-O 3.5Å; E236-P241 HydrophobicContact CG-CB 4.46Å
242M96.3Very high87.8Confident2 Ų268.1 Ų68.11%0.0138%0.375CS..  trans-65.3141.4176.5176.3171.836.400110.5I182 L185 L197 F198 Y232 G234 R235 R240 V244I182-M242 HydrophobicContact CG2-CG 3.51Å; I182-M242 HydrophobicContact CG2-SD 3.41Å; I182-M242 WeakPolarHBondContact CG2-SD 3.47Å; L185-M242 HydrophobicContact CD2-CB 4.12Å; L185-M242 HydrophobicContact CD2-CG 3.77Å; L185-M242 HydrophobicContact CD2-SD 3.84Å; L197-M242 HydrophobicContact CD2-CE 3.63Å; L197-M242 HydrophobicContact CD2-SD 4.39Å; F198-M242 HydrophobicContact CE2-CE 4.43Å; F198-M242 HydrophobicContact CE2-SD 3.72Å; F198-M242 HydrophobicContact CZ-CE 4.32Å; F198-M242 HydrophobicContact CZ-SD 3.65Å; Y232-M242 HydrophobicContact CD1-CE 4.04Å; Y232-M242 HydrophobicContact CG-CE 4.08Å; G234-M242 WeakPolarHBondContact CA-O 3.48Å; G234-M242 PolarHBondContact N-O 3.41Å; R235-M242 WeakPolarHBondContact O-CB 3.47Å; R235-M242 PolarHBondContact O-N 2.76Å; R240-M242 PolarHBondContact O-N 3.33Å; R240-M242 VanDerWaalsContact O-N 3.14Å; M242-V244 HydrophobicContact CE-CG2 4.43Å; M242-V244 HydrophobicContact CG-CG2 3.68Å; M242-V244 HydrophobicContact SD-CG2 3.87Å
243R96.3Very high85.8Confident158 Ų15872.1 Ų72.160%0.59640%0.396SS*.EExtended strand (participates in β ladder)trans-115115.5175.7-66.1-178.663.7-175.70.3109I182 R183 N184I182-R243 CarbonylContact C-O 3.59Å; I182-R243 WeakPolarHBondContact CA-O 3.39Å; R183-R243 HydrophobicContact CB-CB 4.23Å; R183-R243 PolarHBondContact N-O 3.26Å; R183-R243 PolarHBondContact O-N 3.46Å; N184-R243 HydrophobicContact CB-CG 4.29Å
244V96.4Very high83.5Confident5 Ų571.9 Ų71.93%0.0340%0.4CS..EExtended strand (participates in β ladder)trans-113129.4-175-167.30000108.7V180 F198 I229 N233 M242V180-V244 HydrophobicContact CG1-CG1 3.26Å; F198-V244 HydrophobicContact CE1-CG1 4Å; F198-V244 HydrophobicContact CE1-CG2 4.43Å; F198-V244 HydrophobicContact CZ-CG1 4.25Å; F198-V244 HydrophobicContact CZ-CG2 4Å; I229-V244 HydrophobicContact CB-CG1 4.43Å; I229-V244 HydrophobicContact CG1-CB 4.39Å; I229-V244 HydrophobicContact CG1-CG1 3.7Å; N233-V244 HydrophobicContact CB-CB 4.1Å; N233-V244 HydrophobicContact CB-CG2 4.48Å; N233-V244 PolarHBondContact OD1-N 2.89Å; N233-V244 VanDerWaalsContact OD1-N 3.14Å; N233-V244 PolarHBondContact OD1-O 2.81Å; M242-V244 HydrophobicContact CE-CG2 4.43Å; M242-V244 HydrophobicContact CG-CG2 3.68Å; M242-V244 HydrophobicContact SD-CG2 3.87Å
245S95Very high81.2Confident44 Ų4472.6 Ų72.631%0.30840%0.397SS..EExtended strand (participates in β ladder)trans-144.5140.9-176.9520000112.5E181E181-S245 PolarHBondContact N-O 2.92Å; E181-S245 PolarHBondContact O-N 2.8Å; E181-S245 PolarHBondContact O-OG 2.67Å
246L92.8Very high79.1Confident50 Ų5073.1 Ų73.126%0.26241%0.406SS..EExtended strand (participates in β ladder)trans-78.1125.5177.1-163.567.3000111V180 A225 L226 I229 T248 V250V180-L246 HydrophobicContact CG2-CD1 4.07Å; A225-L246 HydrophobicContact CB-CD1 3.96Å; L226-L246 HydrophobicContact CD2-CD2 4.12Å; I229-L246 HydrophobicContact CD1-CB 3.58Å; I229-L246 HydrophobicContact CD1-CD1 4.14Å; I229-L246 HydrophobicContact CD1-CG 4.37Å; L246-T248 VanDerWaalsContact CD2-O 3.29Å; L246-T248 WeakPolarHBondContact CD2-O 3.44Å; L246-T248 VanDerWaalsContact CG-O 3.26Å; L246-T248 WeakPolarHBondContact CG-O 3.47Å; L246-V250 HydrophobicContact CD2-CB 4.19Å; L246-V250 HydrophobicContact CD2-CG2 3.68Å
247T89.9Confident77.3Confident64 Ų6477.4 Ų77.439%0.39342%0.416SS..  trans-96.6-33.6178.1-47.30000111.9R179 E181R179-T247 PolarHBondContact O-N 3.44Å; E181-T247 WeakPolarHBondContact CB-OG1 3.43Å
248T83.4Confident75.3Confident13 Ų1380.5 Ų80.58%0.0843%0.433CS..SBendtrans-81.7119.4172.743.90000110.9F178 R179 L246 V250F178-T248 VanDerWaalsContact CA-OG1 3.32Å; F178-T248 WeakPolarHBondContact CA-OG1 3.42Å; R179-T248 HydrophobicContact CB-CG2 3.87Å; R179-T248 PolarHBondContact N-OG1 2.79Å; R179-T248 PolarHBondContact O-N 3.29Å; L246-T248 VanDerWaalsContact CD2-O 3.29Å; L246-T248 WeakPolarHBondContact CD2-O 3.44Å; L246-T248 VanDerWaalsContact CG-O 3.26Å; L246-T248 WeakPolarHBondContact CG-O 3.47Å; T248-V250 PolarHBondContact O-N 3.34Å
249P67.1Low73.5Confident79 Ų7979 Ų7951%0.51343%0.427SS..  trans-66.3105.9176.726.6-34.1000110.9I172 S251I172-P249 HydrophobicContact CD1-CG 3.83Å; P249-S251 PolarHBondContact O-N 3.1Å
250V63.3Low71.5Confident18 Ų1880.6 Ų80.611%0.10943%0.429CS..  trans-62.2120.41651670000107.4F178 L246 T248 D252 L253F178-V250 HydrophobicContact CD1-CG2 3.55Å; F178-V250 HydrophobicContact CE1-CG2 3.63Å; L246-V250 HydrophobicContact CD2-CB 4.19Å; L246-V250 HydrophobicContact CD2-CG2 3.68Å; T248-V250 PolarHBondContact O-N 3.34Å; V250-D252 HydrophobicContact CG1-CB 4.26Å; V250-D252 PolarHBondContact O-N 3.41Å; V250-L253 HydrophobicContact CB-CD1 4.49Å; V250-L253 HydrophobicContact CG1-CD1 4.45Å; V250-L253 HydrophobicContact CG1-CG 4.17Å
251S59Low69.7Low79 Ų7978.5 Ų78.555%0.55244%0.435SS*.THydrogen-bonded Turntrans-75.5-5.3-173.7-680000113.6P249P249-S251 PolarHBondContact O-N 3.1Å
252D56.2Low67.7Low133 Ų13385 Ų8571%0.71145%0.452SS*.THydrogen-bonded Turntrans-114.53.8-166.9-48.7-65.2000113.6V250V250-D252 HydrophobicContact CG1-CB 4.26Å; V250-D252 PolarHBondContact O-N 3.41Å
253L53.7Low65.7Low95 Ų9591.9 Ų91.950%0.49749%0.485SS..SBendtrans-92124168.5-77.9172.8000110.2L226 V250 S255L226-L253 HydrophobicContact CD1-CD1 3.73Å; L226-L253 HydrophobicContact CD1-CD2 4.22Å; L226-L253 HydrophobicContact CD1-CG 4.14Å; L226-L253 HydrophobicContact CD2-CD1 3.55Å; L226-L253 HydrophobicContact CG-CD1 4.29Å; V250-L253 HydrophobicContact CB-CD1 4.49Å; V250-L253 HydrophobicContact CG1-CD1 4.45Å; V250-L253 HydrophobicContact CG1-CG 4.17Å; L253-S255 VanDerWaalsContact C-N 3.32Å; L253-S255 PolarHBondContact O-N 3.35Å
254P47.4Very low63.8Low87 Ų8787.8 Ų87.857%0.56549%0.485SS*.  trans-65.898162.528.3-31.2000108E256P254-E256 PolarHBondContact O-N 3.31Å
255S47.1Very low62Low63 Ų6392.4 Ų92.444%0.44152%0.518SS..  trans-60.396.4157.4176.10000107.2L253 R257 D258L253-S255 VanDerWaalsContact C-N 3.32Å; L253-S255 PolarHBondContact O-N 3.35Å; S255-R257 PolarHBondContact O-N 3.28Å; S255-D258 PolarHBondContact O-N 3.33Å; S255-D258 VanDerWaalsContact O-N 3.13Å
256E51.8Low60.3Low153 Ų153101.3 Ų101.372%0.71555%0.545SS*.THydrogen-bonded Turntrans-579.8175.3-78.1-66.8103.200114.2P254P254-E256 PolarHBondContact O-N 3.31Å
257R56.7Low58.5Low226 Ų226105.6 Ų105.685%0.85357%0.567SS**THydrogen-bonded Turntrans-109-14.6-179.6-56.6-175.3-170.9159.96.7113.5S255S255-R257 PolarHBondContact O-N 3.28Å
258D52.5Low56.7Low100 Ų100105.1 Ų105.154%0.53558%0.575SS.*THydrogen-bonded Turntrans-131.1-13-175.6-71.9-66.5000115.7S255S255-D258 PolarHBondContact O-N 3.33Å; S255-D258 VanDerWaalsContact O-N 3.13Å
259T53.7Low55.7Low63 Ų63108.8 Ų108.839%0.38760%0.599SS.*Hα-helixtrans-73-42.6-179.148.70000112.9A261 R262 M263T259-A261 VanDerWaalsContact C-N 3.28Å; T259-A261 PolarHBondContact O-N 3.13Å; T259-R262 PolarHBondContact O-N 3.12Å; T259-R262 VanDerWaalsContact O-N 3.1Å; T259-M263 PolarHBondContact O-N 3.25Å
260S52.4Low54.8Low94 Ų94112.3 Ų112.366%0.65761%0.613SS**Hα-helixtrans-57.4-36.9-177.4-173.10000113.2R262 A264S260-R262 PolarHBondContact O-N 2.93Å; S260-A264 WeakPolarHBondContact O-CB 3.31Å; S260-A264 PolarHBondContact O-N 3.24Å
261A56Low54.1Low64 Ų64121.6 Ų121.653%0.52965%0.648SS.*Hα-helixtrans-70.8-29.8179.900000113.5T259 S265T259-A261 VanDerWaalsContact C-N 3.28Å; T259-A261 PolarHBondContact O-N 3.13Å; A261-S265 PolarHBondContact O-N 2.93Å; A261-S265 PolarHBondContact O-OG 3.12Å
262R54.8Low53.5Low196 Ų196120.2 Ų120.274%0.7465%0.646SS**Hα-helixtrans-85.2-32.4-174.4-67.2-176.7179.5-176.21.7113.1T259 S260T259-R262 PolarHBondContact O-N 3.12Å; T259-R262 VanDerWaalsContact O-N 3.1Å; S260-R262 PolarHBondContact O-N 2.93Å
263M53.4Low53Low146 Ų146123.8 Ų123.872%0.71965%0.65SS**Hα-helixtrans-78.4-39171.1-80-178171.200112.6T259 S265 R266 L267T259-M263 PolarHBondContact O-N 3.25Å; M263-S265 PolarHBondContact O-N 3.09Å; M263-S265 VanDerWaalsContact O-N 3.09Å; M263-R266 PolarHBondContact O-N 2.71Å; M263-L267 PolarHBondContact O-N 3.45Å; M263-L267 VanDerWaalsContact O-N 3.08Å
264A56.5Low52.5Low71 Ų71126.4 Ų126.459%0.58766%0.657SS**THydrogen-bonded Turntrans-64.7-12.2175.400000114.1S260S260-A264 WeakPolarHBondContact O-CB 3.31Å; S260-A264 PolarHBondContact O-N 3.24Å
265S58.6Low52.5Low103 Ų103129.9 Ų129.972%0.7267%0.666SS**THydrogen-bonded Turntrans-91-11.5173.5-600000113.8A261 M263A261-S265 PolarHBondContact O-N 2.93Å; A261-S265 PolarHBondContact O-OG 3.12Å; M263-S265 PolarHBondContact O-N 3.09Å; M263-S265 VanDerWaalsContact O-N 3.09Å
266R59.3Low52.5Low231 Ų231133.2 Ų133.287%0.87268%0.684SS**THydrogen-bonded Turntrans-107.6-30.2178.6-77-174162.3-158.7-5.6113.1M263 G268M263-R266 PolarHBondContact O-N 2.71Å; R266-G268 PolarHBondContact O-N 3.25Å
267L56.5Low52.2Low139 Ų139134.6 Ų134.673%0.72869%0.69SS**SBendtrans-83.694.8166.4-66.8169000108M263M263-L267 PolarHBondContact O-N 3.45Å; M263-L267 VanDerWaalsContact O-N 3.08Å
268G52.4Low51.9Low54 Ų54129.3 Ų129.356%0.55768%0.683SS**  trans-55.1158.4173.300000111.8R266 N270R266-G268 PolarHBondContact O-N 3.25Å; G268-N270 PolarHBondContact O-N 3.13Å
269P61.6Low51.7Low91 Ų91133.3 Ų133.359%0.59170%0.698SS**  trans-54.8111.2-172.920.7-32.7000111.5Y271P269-Y271 HydrophobicContact CB-CE1 4.16Å; P269-Y271 HydrophobicContact CB-CE2 3.91Å; P269-Y271 HydrophobicContact CG-CE2 3.67Å; P269-Y271 VanDerWaalsContact CG-OH 3.32Å; P269-Y271 WeakPolarHBondContact CG-OH 3.5Å; P269-Y271 WeakPolarHBondContact O-CD2 3.42Å; P269-Y271 WeakPolarHBondContact O-CE2 3.2Å; P269-Y271 PolarHBondContact O-N 3.1Å
270N48.4Very low51.3Low152 Ų152135.1 Ų135.181%0.81372%0.72SS**  trans-77.392.1-178.9-170.16.3000109.4G268 G272G268-N270 PolarHBondContact O-N 3.13Å; N270-G272 PolarHBondContact O-N 3.15Å
271Y48.5Very low51Low214 Ų214139.6 Ų139.684%0.83973%0.727SS**  trans-73.564.9175.6-56.2-73.5000110.7P269P269-Y271 HydrophobicContact CB-CE1 4.16Å; P269-Y271 HydrophobicContact CB-CE2 3.91Å; P269-Y271 HydrophobicContact CG-CE2 3.67Å; P269-Y271 VanDerWaalsContact CG-OH 3.32Å; P269-Y271 WeakPolarHBondContact CG-OH 3.5Å; P269-Y271 WeakPolarHBondContact O-CD2 3.42Å; P269-Y271 WeakPolarHBondContact O-CE2 3.2Å; P269-Y271 PolarHBondContact O-N 3.1Å
272G46.1Very low50.9Low50 Ų50145.4 Ų145.452%0.51574%0.744SS.*  trans-123.582.5-163.500000115.4N270N270-G272 PolarHBondContact O-N 3.15Å
273R44.8Very low50.7Low207 Ų207142.8 Ų142.878%0.78175%0.749SS**  trans59.7123.2150.3-73.9-176.7164.3-167.7-0.4121.6
274K44.7Very low50.7Low150 Ų150143.5 Ų143.565%0.65275%0.754SS**  64.9143.6127.3-59.4179.2-179.1-1680118.2
275Q46.7Very low50.3Low160 Ų160150.7 Ų150.775%0.74877%0.766SS**  cis-165.9128.1-1.1-113.4163.7-17.800108.1
276T47Very low50Low134 Ų134154.6 Ų154.682%0.82277%0.773SS**  trans160.8100.2154.235.70000106.3
277E46.1Very low49.5Very low181 Ų181149 Ų14985%0.84677%0.769SS**  53.590.973.4-130.4172.8-16500110.3
278T50.9Low49.3Very low115 Ų115150.4 Ų150.471%0.70678%0.777SS**  -168161.972.617.50000112.5
279Q47Very low49Very low184 Ų184156 Ų15686%0.8679%0.794SS**SBendtrans63.270.5155.3-65169.78400119.6
280A46.2Very low48.6Very low101 Ų101161.6 Ų161.684%0.83581%0.809SS**  trans-166.266.8152.400000112.5
281K45.5Very low48.4Very low188 Ų188159.4 Ų159.482%0.81781%0.806SS**  trans-139.572.7175.7-83.4-171.4177.3172.20112.6
282Q54.9Low48.1Very low186 Ų186153.3 Ų153.387%0.86981%0.807SS**  trans-148.7165.8161.3-100.7160.4-21.500107.1
283V50.2Low48.6Very low141 Ų141157 Ų15786%0.85581%0.814SS**SBendtrans87.1-16.7174.2-168.90000118.9
284I52.9Low49.1Very low162 Ų162152.6 Ų152.683%0.83181%0.812SS**  trans-135.268.5175.4-40.8178.6000113.4
285R48.8Very low49.9Very low221 Ų221151.2 Ų151.283%0.83482%0.816SS**  trans-147.859172.8-83.3-172.6166-177.3-8.6112.1
286E51.3Low50.9Low185 Ų185152.2 Ų152.286%0.86482%0.821SS**SBendtrans-148.817-169.4-125.4149-147.700116
287S48.5Very low52.2Low113 Ų113150.5 Ų150.579%0.7981%0.81SS**SBendtrans-143.88.3-168.7-42.50000117.5
288L53.6Low53.8Low169 Ų169146.3 Ų146.389%0.88579%0.794SS**  trans-138.647.9-172.4-73.1169.6000113.8
289N44.5Very low55.3Low172 Ų172143.5 Ų143.592%0.9278%0.782SS**  trans-130.766.5170.7-89.2-8.1000110.7
290K53.2Low56.8Low209 Ų209139 Ų13991%0.90976%0.764SS**SBendtrans-154.538172.8-140.8178.9-176.6-178.20117.4
291S45.9Very low58.5Low106 Ų106138.2 Ų138.274%0.74175%0.748SS**  trans-167.2109.3155.342.70000110.8I293S291-I293 PolarHBondContact O-N 2.99Å
292G41.7Very low60.1Low85 Ų85132.4 Ų132.488%0.87673%0.728SS**  trans-85.887.4177.600000111.5
293I56.6Low61.1Low129 Ų129129.5 Ų129.566%0.66271%0.71SS**  trans-120.8117.1169.2-56.9175.1000107.4S291 V295S291-I293 PolarHBondContact O-N 2.99Å; I293-V295 PolarHBondContact O-N 2.68Å; I293-V295 VanDerWaalsContact O-N 3.14Å
294P54.8Low62.6Low113 Ų113128 Ų12873%0.73469%0.691SS**  trans-67.9111.2169.428.6-31.3000108.1E296P294-E296 VanDerWaalsContact C-N 3.26Å; P294-E296 PolarHBondContact O-N 2.87Å
295V61.7Low63.9Low122 Ų122124.3 Ų124.374%0.73969%0.685SS**  trans-79.881.1176.1-175.40000108.3I293 V297I293-V295 PolarHBondContact O-N 2.68Å; I293-V295 VanDerWaalsContact O-N 3.14Å; V295-V297 HydrophobicContact CG1-CG2 4.34Å; V295-V297 PolarHBondContact O-N 3.16Å
296E67.3Low65.6Low180 Ų180119.7 Ų119.784%0.84168%0.677SS**  trans-61.4120.4159.8-70.5-166.4141.200108.2P294 D298P294-E296 VanDerWaalsContact C-N 3.26Å; P294-E296 PolarHBondContact O-N 2.87Å; E296-D298 PolarHBondContact O-N 2.76Å
297V74.1Confident67.1Low98 Ų98117.7 Ų117.759%0.59467%0.665SS**  trans-90.1104177-173.20000107.5V295 A299 V302V295-V297 HydrophobicContact CG1-CG2 4.34Å; V295-V297 PolarHBondContact O-N 3.16Å; V297-A299 PolarHBondContact O-N 3.07Å; V297-V302 HydrophobicContact CG1-CG2 3.85Å
298D80.4Confident68.1Low94 Ų94118.9 Ų118.950%0.50366%0.663SS.*  trans-51.8134.9-178.4175.327000112.5E296 D300 V301 V302E296-D298 PolarHBondContact O-N 2.76Å; D298-D300 PolarHBondContact O-N 3.02Å; D298-D300 PolarHBondContact OD1-N 3.33Å; D298-V301 HydrophobicContact CB-CG2 4.15Å; D298-V301 WeakPolarHBondContact O-CB 3.38Å; D298-V301 PolarHBondContact O-N 2.89Å; D298-V302 PolarHBondContact O-N 3.29Å
299A81.8Confident68.9Low56 Ų56115.1 Ų115.146%0.46365%0.647SS.*Hα-helixtrans-63.1-27.4-17400000112.5V297 V302 R303V297-A299 PolarHBondContact O-N 3.07Å; A299-V302 PolarHBondContact O-N 3.44Å; A299-R303 PolarHBondContact O-N 3.43Å
300D79.7Confident69.6Low89 Ų89111.3 Ų111.348%0.47663%0.633SS.*Hα-helixtrans-66.5-38.5172.8-75.2-16.1000111.8D298 R303 K304D298-D300 PolarHBondContact O-N 3.02Å; D298-D300 PolarHBondContact OD1-N 3.33Å; D300-R303 PolarHBondContact O-N 3.23Å; D300-R303 IonicContact OD1-CZ 2.85Å; D300-R303 IonicContact OD1-NH1 2.94Å; D300-R303 PolarHBondContact OD1-NH1 3.46Å; D300-R303 IonicContact OD1-NH2 2.64Å; D300-R303 PolarHBondContact OD1-NH2 2.89Å; D300-K304 VanDerWaalsContact O-CB 3.24Å; D300-K304 WeakPolarHBondContact O-CB 3.43Å; D300-K304 PolarHBondContact O-N 3.38Å
301V80.7Confident69.5Low85 Ų85105.9 Ų105.952%0.51562%0.622SS.*Hα-helixtrans-65.9-42.3175.8-178.70000110.5D298 K304 A305D298-V301 HydrophobicContact CB-CG2 4.15Å; D298-V301 WeakPolarHBondContact O-CB 3.38Å; D298-V301 PolarHBondContact O-N 2.89Å; V301-K304 PolarHBondContact O-N 3.08Å; V301-A305 WeakPolarHBondContact O-CB 3.35Å; V301-A305 PolarHBondContact O-N 2.83Å
302V80.1Confident69.8Low65 Ų65105.7 Ų105.739%0.39462%0.621SS.*Hα-helixtrans-62.2-47.2175.3-179.50000111V297 D298 A299 K304 A305 L306V297-V302 HydrophobicContact CG1-CG2 3.85Å; D298-V302 PolarHBondContact O-N 3.29Å; A299-V302 PolarHBondContact O-N 3.44Å; V302-K304 VanDerWaalsContact C-N 3.35Å; V302-K304 PolarHBondContact O-N 3.27Å; V302-A305 PolarHBondContact O-N 3.08Å; V302-L306 HydrophobicContact CG1-CD1 3.81Å; V302-L306 HydrophobicContact CG1-CG 4.39Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 WeakPolarHBondContact O-CG 3.45Å; V302-L306 PolarHBondContact O-N 3.33Å
303R76.2Confident70.2Confident126 Ų126105 Ų10548%0.47561%0.613SS.*Hα-helixtrans-61.8-40.3175.8-89.6-176.1-85.399.44.2112.5A299 D300 L306 F307A299-R303 PolarHBondContact O-N 3.43Å; D300-R303 PolarHBondContact O-N 3.23Å; D300-R303 IonicContact OD1-CZ 2.85Å; D300-R303 IonicContact OD1-NH1 2.94Å; D300-R303 PolarHBondContact OD1-NH1 3.46Å; D300-R303 IonicContact OD1-NH2 2.64Å; D300-R303 PolarHBondContact OD1-NH2 2.89Å; R303-L306 PolarHBondContact O-N 2.87Å; R303-F307 HydrophobicContact CB-CD2 4.43Å; R303-F307 HydrophobicContact CG-CD2 4.21Å; R303-F307 HydrophobicContact CG-CE2 4.34Å; R303-F307 WeakPolarHBondContact O-CB 3.43Å; R303-F307 WeakPolarHBondContact O-CD2 3.21Å; R303-F307 PolarHBondContact O-N 2.92Å
304K81.8Confident69.9Low109 Ų109104 Ų10447%0.47462%0.617SS.*Hα-helixtrans-66.2-36.2177.8-169.5162.9-176.6169.30112.5D300 V301 V302 N308 S311D300-K304 VanDerWaalsContact O-CB 3.24Å; D300-K304 WeakPolarHBondContact O-CB 3.43Å; D300-K304 PolarHBondContact O-N 3.38Å; V301-K304 PolarHBondContact O-N 3.08Å; V302-K304 VanDerWaalsContact C-N 3.35Å; V302-K304 PolarHBondContact O-N 3.27Å; K304-N308 VanDerWaalsContact O-CA 3.27Å; K304-N308 WeakPolarHBondContact O-CA 3.48Å; K304-N308 PolarHBondContact O-N 3.27Å; K304-N308 VanDerWaalsContact O-N 3.16Å; K304-S311 PolarHBondContact NZ-OG 3.26Å
305A79.4Confident69.5Low85 Ų85105.7 Ų105.770%0.70263%0.625SS**Hα-helixtrans-75.1-38.517600000113.4V301 V302V301-A305 WeakPolarHBondContact O-CB 3.35Å; V301-A305 PolarHBondContact O-N 2.83Å; V302-A305 PolarHBondContact O-N 3.08Å
306L85.3Confident69.1Low124 Ų124108 Ų10865%0.64963%0.628SS**Hα-helixtrans-75.3-45.9179.9-76.4173000113.1V302 R303V302-L306 HydrophobicContact CG1-CD1 3.81Å; V302-L306 HydrophobicContact CG1-CG 4.39Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 WeakPolarHBondContact O-CG 3.45Å; V302-L306 PolarHBondContact O-N 3.33Å; R303-L306 PolarHBondContact O-N 2.87Å
307F82Confident68.4Low142 Ų142103.5 Ų103.562%0.62362%0.617SS**Hα-helixtrans-108.10.8-168.4-58.2-71.6000113.3R303 V309R303-F307 HydrophobicContact CB-CD2 4.43Å; R303-F307 HydrophobicContact CG-CD2 4.21Å; R303-F307 HydrophobicContact CG-CE2 4.34Å; R303-F307 WeakPolarHBondContact O-CB 3.43Å; R303-F307 WeakPolarHBondContact O-CD2 3.21Å; R303-F307 PolarHBondContact O-N 2.92Å; F307-V309 HydrophobicContact CB-CG2 3.67Å; F307-V309 PolarHBondContact O-N 2.87Å
308N69.2Low67.7Low138 Ų138110.5 Ų110.574%0.73863%0.632SS**  trans52.530.1179.6-151.4101.3000113.3K304 S310K304-N308 VanDerWaalsContact O-CA 3.27Å; K304-N308 WeakPolarHBondContact O-CA 3.48Å; K304-N308 PolarHBondContact O-N 3.27Å; K304-N308 VanDerWaalsContact O-N 3.16Å; N308-S310 PolarHBondContact O-N 3Å
309V70.6Confident66.6Low91 Ų91115.8 Ų115.855%0.55265%0.645SS**  trans-79.5112.5-175.9-178.50000109.6F307 S311F307-V309 HydrophobicContact CB-CG2 3.67Å; F307-V309 PolarHBondContact O-N 2.87Å; V309-S311 PolarHBondContact O-N 2.94Å
310S60.3Low66.2Low92 Ų92119 Ų11964%0.64366%0.662SS**  trans-67.6115.1170.5-66.90000110.1N308 S312N308-S310 PolarHBondContact O-N 3Å; S310-S312 PolarHBondContact O-N 2.92Å
311S50.8Low65.9Low94 Ų94120.7 Ų120.766%0.65768%0.675SS**SBendtrans-71.270.917656.10000111.8K304 V309K304-S311 PolarHBondContact NZ-OG 3.26Å; V309-S311 PolarHBondContact O-N 2.94Å
312S52Low65.6Low103 Ų103124.1 Ų124.172%0.7269%0.69SS**  trans-164125.6168.561.80000111.9S310S310-S312 PolarHBondContact O-N 2.92Å
313G49.5Very low65.4Low70 Ų70128.8 Ų128.872%0.72271%0.706SS**SBendtrans107.5107.4166.500000114.8
314S49.8Very low65.3Low107 Ų107128.3 Ų128.375%0.74872%0.721SS**  trans26.3120.1152.441.50000119.5Q316S314-Q316 PolarHBondContact O-N 3.37Å
315V47.9Very low65.1Low149 Ų149128.7 Ų128.790%0.90373%0.733SS**  trans-6580159.4-176.70000109.6S317V315-S317 PolarHBondContact O-N 2.94Å
316Q52.5Low64.6Low170 Ų170130 Ų13079%0.79474%0.737SS**  trans-76.699.9155-75.7-162.4-13.900107.4S314 R318S314-Q316 PolarHBondContact O-N 3.37Å; Q316-R318 PolarHBondContact O-N 3.35Å
317S53.6Low63.7Low86 Ų86132.1 Ų132.160%0.60175%0.748SS**  trans-46104.4168.9174.10000109.4V315 R319V315-S317 PolarHBondContact O-N 2.94Å; S317-R319 PolarHBondContact O-N 3.13Å
318R57.6Low63.3Low246 Ų246140.7 Ų140.793%0.92878%0.776SS**  trans-72.379.1165.9-71.8-166.8178.8-147.10.2107.6Q316Q316-R318 PolarHBondContact O-N 3.35Å
319R57.1Low63Low204 Ų204140.8 Ų140.877%0.7778%0.778SS**  trans-55.8146.7162.5-67.8-172.5175.7174.9-1.8108.1S317 V321S317-R319 PolarHBondContact O-N 3.13Å; R319-V321 PolarHBondContact O-N 2.9Å
320P73.9Confident62.6Low125 Ų125143.4 Ų143.481%0.81279%0.79SS**  trans-50.5135.6171-24.634.2000109.8D322P320-D322 PolarHBondContact O-N 3.04Å; P320-D322 VanDerWaalsContact O-N 3.13Å
321V72.9Confident62.8Low123 Ų123146.3 Ų146.375%0.74580%0.798SS**  trans-76.5102.1170.4-1780000105.9R319 F323R319-V321 PolarHBondContact O-N 2.9Å; V321-F323 HydrophobicContact CG1-CD1 4.36Å; V321-F323 WeakPolarHBondContact O-CD1 3.3Å; V321-F323 WeakPolarHBondContact O-CE1 3.2Å
322D75.3Confident63.5Low157 Ų157149.4 Ų149.484%0.8481%0.806SS**  trans-79.6133.8173.8-150.9-11.4000108.8P320P320-D322 PolarHBondContact O-N 3.04Å; P320-D322 VanDerWaalsContact O-N 3.13Å
323F76Confident64.2Low164 Ų164152.3 Ų152.372%0.71981%0.811SS**  trans-131.2102-178.336-96.1000110.5V321V321-F323 HydrophobicContact CG1-CD1 4.36Å; V321-F323 WeakPolarHBondContact O-CD1 3.3Å; V321-F323 WeakPolarHBondContact O-CE1 3.2Å
324S74.3Confident65.2Low115 Ų115157.7 Ų157.780%0.80482%0.817SS**  trans-74.8123.217046.40000110.5
325V78.1Confident66.3Low118 Ų118161.4 Ų161.472%0.71582%0.822SS**  trans-105103.2173.1-179.50000108.2L327V325-L327 PolarHBondContact O-N 2.86Å
326S68.2Low67.7Low113 Ų113162.3 Ų162.379%0.7982%0.816SS**  trans-82.8112.4171.7-60.60000109.8
327L66.4Low68.9Low168 Ų168161.7 Ų161.788%0.8882%0.818SS**  trans-73.4148.3165.9-63.5170.3000109.4V325V325-L327 PolarHBondContact O-N 2.86Å
328R74.2Confident70.3Confident321 Ų321168.5 Ų168.5100%1.21184%0.838SS**  trans-1330-174.7-157.9-174.7-158.3144.45.3110.5

Retrieved 328 of 328 residues in 52.9 ms (Link to these results)