A0A5K4FGN3_SCHMA Loading...

Homeobox protein 2-like

AlphaFold DB , UniProt , Accession A0A5K4FGN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26.7Very low27.6Very low225 Ų225183.3 Ų183.3100%1.10885%0.848SS**  0104.40-80.3-170-80.300107.5
2E23.9Very low27.3Very low184 Ų184173.2 Ų173.286%0.8683%0.831SS**  trans-88.6116.9-175.8-162.7169.1-160.600108.8H4E2-H4 PolarHBondContact O-N 2.92Å
3F28.8Very low27.4Very low183 Ų183175.4 Ų175.480%0.80383%0.828SS**  trans-83.7103.6-178.8-82.1-89000109.5R5F3-R5 PolarHBondContact O-N 2.96Å; F3-R5 VanDerWaalsContact O-N 3.08Å
4H28.7Very low27.2Very low172 Ų172177.3 Ų177.380%0.79683%0.832SS**  trans-57.9109.5172.8-85.1-79000110.9E2 N6E2-H4 PolarHBondContact O-N 2.92Å; H4-N6 PolarHBondContact O-N 3.26Å; H4-N6 VanDerWaalsContact O-N 3.09Å
5R29.8Very low27.4Very low239 Ų239172.5 Ų172.590%0.90282%0.82SS**THydrogen-bonded Turntrans-74.916.4-172.5-72.3-171.5179.6-166-0.5116.1F3F3-R5 PolarHBondContact O-N 2.96Å; F3-R5 VanDerWaalsContact O-N 3.08Å
6N30Very low27.3Very low143 Ų143167.6 Ų167.677%0.76581%0.806SS**THydrogen-bonded Turntrans-99.60.7-172.7-721.2000115.5H4 I8H4-N6 PolarHBondContact O-N 3.26Å; H4-N6 VanDerWaalsContact O-N 3.09Å; N6-I8 PolarHBondContact O-N 3.11Å
7N28.1Very low27.4Very low150 Ų150164.8 Ų164.880%0.80280%0.802SS**SBendtrans-94.9103.5172.1-75.21.6000110.1R9N7-R9 PolarHBondContact O-N 3.25Å; N7-R9 VanDerWaalsContact O-N 3.08Å
8I27.1Very low27.5Very low163 Ų163165.9 Ų165.984%0.83680%0.798SS**  trans-40.9113.6168.5-64.3162.3000108.4N6 Q10N6-I8 PolarHBondContact O-N 3.11Å; I8-Q10 PolarHBondContact O-N 2.79Å
9R25Very low27.6Very low230 Ų230163.2 Ų163.287%0.86880%0.798SS**  trans-60.4102174.3-77.4-176.3-173.6-134.92.5107.8N7 I11N7-R9 PolarHBondContact O-N 3.25Å; N7-R9 VanDerWaalsContact O-N 3.08Å; R9-I11 PolarHBondContact O-N 3.5Å
10Q27.6Very low27.5Very low190 Ų190162.5 Ų162.589%0.88880%0.798SS**  trans-63.8103.9166.2-136174.115.600106I8 G12I8-Q10 PolarHBondContact O-N 2.79Å; Q10-G12 PolarHBondContact O-N 2.91Å
11I27.6Very low27.6Very low137 Ų137158.9 Ų158.970%0.70379%0.789SS**  trans-71.979.4172.9-58165.7000106.3R9 Y13R9-I11 PolarHBondContact O-N 3.5Å; I11-Y13 PolarHBondContact O-N 3.21Å
12G24.8Very low27.5Very low62 Ų62152.8 Ų152.864%0.63977%0.766SS**  trans-74.5111.5168.800000108Q10 F14Q10-G12 PolarHBondContact O-N 2.91Å; G12-F14 PolarHBondContact O-N 3.35Å
13Y28.5Very low27.6Very low202 Ų202152.2 Ų152.279%0.79277%0.769SS**  trans-61.5118.5170.3-66.1-88.4000108.3I11 T15I11-Y13 PolarHBondContact O-N 3.21Å; Y13-T15 VanDerWaalsContact C-N 3.34Å; Y13-T15 PolarHBondContact O-N 2.75Å
14F24.6Very low27.5Very low202 Ų202149.2 Ų149.289%0.88676%0.76SS**  trans-65.396.4168-118.7-93.1000107G12 P16G12-F14 PolarHBondContact O-N 3.35Å; F14-P16 WeakPolarHBondContact O-CD 3.26Å
15T29.4Very low27.4Very low106 Ų106150.2 Ų150.265%0.6576%0.762SS**  trans-69.5118.8157.439.20000105.7Y13 T17Y13-T15 VanDerWaalsContact C-N 3.34Å; Y13-T15 PolarHBondContact O-N 2.75Å; T15-T17 VanDerWaalsContact C-N 3.26Å; T15-T17 PolarHBondContact O-N 2.77Å
16P26.9Very low27.4Very low93 Ų93148.8 Ų148.860%0.60476%0.757SS**  trans-63.596.1173.924-29.6000107.6F14 Y18F14-P16 WeakPolarHBondContact O-CD 3.26Å; P16-Y18 VanDerWaalsContact C-N 3.31Å; P16-Y18 WeakPolarHBondContact O-CD2 3.47Å; P16-Y18 PolarHBondContact O-N 2.95Å
17T29.1Very low27.2Very low120 Ų120151.4 Ų151.474%0.73676%0.757SS**  trans-68.998.2163.437.90000105.4T15 S19T15-T17 VanDerWaalsContact C-N 3.26Å; T15-T17 PolarHBondContact O-N 2.77Å; T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 2.86Å
18Y28.3Very low27.4Very low186 Ų186149.3 Ų149.373%0.72975%0.752SS**  trans-51.599.6170.7-65.9-88.4000108.1P16 N20 S21P16-Y18 VanDerWaalsContact C-N 3.31Å; P16-Y18 WeakPolarHBondContact O-CD2 3.47Å; P16-Y18 PolarHBondContact O-N 2.95Å; Y18-N20 PolarHBondContact O-N 2.98Å; Y18-N20 VanDerWaalsContact O-N 3.15Å; Y18-S21 PolarHBondContact O-N 2.76Å; Y18-S21 PolarHBondContact O-OG 3.22Å
19S29.6Very low27.9Very low114 Ų114148.6 Ų148.680%0.79775%0.75SS**THydrogen-bonded Turntrans-74.82.8-179.464.80000112.9T17T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 2.86Å
20N25.6Very low28.5Very low149 Ų149144.4 Ų144.480%0.79774%0.744SS**THydrogen-bonded Turntrans-114.525.2176.4-68.12.6000112.4Y18Y18-N20 PolarHBondContact O-N 2.98Å; Y18-N20 VanDerWaalsContact O-N 3.15Å
21S28.9Very low28.7Very low87 Ų87141.7 Ų141.761%0.60874%0.735SS**  trans-55124.7163.2-61.80000108Y18 N23Y18-S21 PolarHBondContact O-N 2.76Å; Y18-S21 PolarHBondContact O-OG 3.22Å; S21-N23 PolarHBondContact O-N 2.72Å
22P26.1Very low28.9Very low97 Ų97139.9 Ų139.963%0.6373%0.734SS**  trans-54.2142.9-174.620-29.9000109I24P22-I24 HydrophobicContact CG-CG1 4.48Å; P22-I24 WeakPolarHBondContact O-CG1 3.48Å; P22-I24 PolarHBondContact O-N 3.1Å
23N25.3Very low29.2Very low172 Ų172143.6 Ų143.692%0.9274%0.739SS**  trans-67.171.1-177.9-140.9-2.1000108.7S21 K25S21-N23 PolarHBondContact O-N 2.72Å; N23-K25 PolarHBondContact O-N 3.33Å; N23-K25 VanDerWaalsContact O-N 3.08Å
24I27.3Very low29.1Very low119 Ų119141.7 Ų141.761%0.6173%0.732SS**  trans-65.7113177.4-63.7165.6000104.7P22 R26P22-I24 HydrophobicContact CG-CG1 4.48Å; P22-I24 WeakPolarHBondContact O-CG1 3.48Å; P22-I24 PolarHBondContact O-N 3.1Å; I24-R26 VanDerWaalsContact C-N 3.33Å; I24-R26 WeakPolarHBondContact O-CG 3.46Å; I24-R26 PolarHBondContact O-N 3.14Å
25K26.1Very low29.2Very low193 Ų193139.9 Ų139.984%0.83973%0.726SS**  trans-53.4100172.1-74.7-178.6175.3177.50107.4N23 Y27N23-K25 PolarHBondContact O-N 3.33Å; N23-K25 VanDerWaalsContact O-N 3.08Å; K25-Y27 PolarHBondContact O-N 2.87Å
26R28.7Very low29.2Very low209 Ų209138.4 Ų138.479%0.78972%0.72SS**  trans-69.9118.9-177-59.1-173.1-165.4-151.11.7107.6I24I24-R26 VanDerWaalsContact C-N 3.33Å; I24-R26 WeakPolarHBondContact O-CG 3.46Å; I24-R26 PolarHBondContact O-N 3.14Å
27Y26.5Very low29.5Very low198 Ų198140.7 Ų140.778%0.77672%0.723SS**  trans-62.8129.5172.3-76.9-91.1000108.9K25 D29K25-Y27 PolarHBondContact O-N 2.87Å; Y27-D29 PolarHBondContact O-N 2.77Å; Y27-D29 VanDerWaalsContact O-N 3.15Å
28P33.4Very low29.7Very low106 Ų106139.7 Ų139.769%0.68872%0.721SS**G310 helixtrans-65.2-18-168.722-31.8000114.8L30P28-L30 VanDerWaalsContact C-N 3.32Å; P28-L30 PolarHBondContact O-N 2.69Å
29D37.4Very low29.8Very low149 Ų149138 Ų13880%0.79771%0.714SS**G310 helixtrans-77.7-9.1-170.9-81.4-13.4000115.7Y27Y27-D29 PolarHBondContact O-N 2.77Å; Y27-D29 VanDerWaalsContact O-N 3.15Å
30L37.4Very low29.7Very low142 Ų142133.9 Ų133.974%0.74369%0.69SS**G310 helixtrans-101.74.8179.5-76.9156.6000113.9P28 S32P28-L30 VanDerWaalsContact C-N 3.32Å; P28-L30 PolarHBondContact O-N 2.69Å; L30-S32 VanDerWaalsContact C-N 3.28Å; L30-S32 PolarHBondContact O-N 2.75Å
31L32.2Very low30Very low132 Ų132134.1 Ų134.169%0.69169%0.69SS**THydrogen-bonded Turntrans-72.1-17.3-178.4-131.177.7000114N33L31-N33 VanDerWaalsContact C-N 3.35Å; L31-N33 PolarHBondContact O-N 2.74Å
32S31.2Very low30Very low99 Ų99136.2 Ų136.269%0.69269%0.694SS**THydrogen-bonded Turntrans-74.4-21.5-175.856.60000114.2L30L30-S32 VanDerWaalsContact C-N 3.28Å; L30-S32 PolarHBondContact O-N 2.75Å
33N30.2Very low29.9Very low140 Ų140139 Ų13975%0.74969%0.693SS**SBendtrans-112.34.5-174.1-72.3-16.9000114.6L31 Q35L31-N33 VanDerWaalsContact C-N 3.35Å; L31-N33 PolarHBondContact O-N 2.74Å; N33-Q35 PolarHBondContact O-N 3.45Å
34Y27.6Very low30.1Very low162 Ų162136.9 Ų136.964%0.63568%0.682SS**  trans-85.778.6177.3-147.8-92.2000110.8E37Y34-E37 HydrophobicContact CE1-CG 4.26Å; Y34-E37 PolarHBondContact OH-OE1 3.27Å; Y34-E37 VanDerWaalsContact OH-OE1 3.05Å
35Q25.9Very low30.3Very low164 Ų164135.3 Ų135.377%0.76668%0.678SS**  trans-70.9129.3165.8-72.8-167.3-3100109.1N33 E37N33-Q35 PolarHBondContact O-N 3.45Å; Q35-E37 PolarHBondContact O-N 3.15Å
36S28.6Very low30.4Very low75 Ų75132.3 Ų132.352%0.52467%0.667SS.*  trans-44.8135.8-174.654.80000113.1S38 Y39S36-S38 PolarHBondContact O-N 2.88Å; S36-S38 PolarHBondContact O-OG 3.01Å; S36-S38 PolarHBondContact OG-OG 3.13Å; S36-Y39 PolarHBondContact O-N 3.31Å; S36-Y39 VanDerWaalsContact O-N 3.13Å
37E33.9Very low30.3Very low142 Ų142127.7 Ų127.766%0.66466%0.657SS**G310 helixtrans-53.6-1.7-178.5-63.8177.8151.200115.6Y34 Q35 Y39 G40Y34-E37 HydrophobicContact CE1-CG 4.26Å; Y34-E37 PolarHBondContact OH-OE1 3.27Å; Y34-E37 VanDerWaalsContact OH-OE1 3.05Å; Q35-E37 PolarHBondContact O-N 3.15Å; E37-Y39 PolarHBondContact O-N 3.1Å; E37-G40 PolarHBondContact O-N 3.14Å
38S33.8Very low30.5Very low99 Ų99124.2 Ų124.269%0.69265%0.648SS**G310 helixtrans-59.3-22.8165.459.10000112.8S36S36-S38 PolarHBondContact O-N 2.88Å; S36-S38 PolarHBondContact O-OG 3.01Å; S36-S38 PolarHBondContact OG-OG 3.13Å
39Y30Very low30.3Very low151 Ų151124.6 Ų124.659%0.59264%0.641SS**G310 helixtrans-99-5.9172.9-70.3-81.5000113.8S36 E37 L41S36-Y39 PolarHBondContact O-N 3.31Å; S36-Y39 VanDerWaalsContact O-N 3.13Å; E37-Y39 PolarHBondContact O-N 3.1Å; Y39-L41 PolarHBondContact O-N 3.06Å
40G27.3Very low29.8Very low27 Ų27120.3 Ų120.328%0.27863%0.627SS.*Hα-helixtrans-77.6-20.8-15500000118E37E37-G40 PolarHBondContact O-N 3.14Å
41L31.5Very low29.5Very low154 Ų154123.2 Ų123.281%0.80663%0.629SS**Hα-helixtrans-95.7-22.1-175.9-73.1175.3000114.9Y39 T45Y39-L41 PolarHBondContact O-N 3.06Å; L41-T45 PolarHBondContact O-OG1 2.68Å
42N29.3Very low29.4Very low131 Ų131120.6 Ų120.670%0.70161%0.613SS**Hα-helixtrans-89.6-27.4180-80.8-15.4000113.4
43Y25Very low29.4Very low155 Ų155121.3 Ų121.361%0.60860%0.604SS**Hα-helixtrans-93-31.3-176.1-110.5-87.6000114.3T45 Q46 L47Y43-T45 VanDerWaalsContact C-N 3.31Å; Y43-T45 PolarHBondContact O-N 3.35Å; Y43-Q46 PolarHBondContact O-N 3.37Å; Y43-L47 HydrophobicContact CD1-CD1 3.96Å; Y43-L47 HydrophobicContact CD1-CG 4.23Å; Y43-L47 PolarHBondContact O-N 3.26Å; Y43-L47 VanDerWaalsContact O-N 3.14Å
44L28.6Very low29.5Very low128 Ų128118.6 Ų118.667%0.6759%0.594SS**Hα-helixtrans-68-33.4-177-123.2114.9000112.3H48L44-H48 WeakPolarHBondContact O-CB 3.13Å; L44-H48 PolarHBondContact O-N 3.04Å
45T31.6Very low29.8Very low86 Ų86117.3 Ų117.353%0.52860%0.598SS.*Hα-helixtrans-70.2-35.5176.9440000112.3L41 Y43 M49L41-T45 PolarHBondContact O-OG1 2.68Å; Y43-T45 VanDerWaalsContact C-N 3.31Å; Y43-T45 PolarHBondContact O-N 3.35Å; T45-M49 WeakPolarHBondContact O-CB 2.84Å; T45-M49 VanDerWaalsContact O-CG 3.29Å; T45-M49 WeakPolarHBondContact O-CG 3.47Å; T45-M49 PolarHBondContact O-N 3.37Å
46Q28.2Very low30Very low130 Ų130116.7 Ų116.761%0.60759%0.59SS**Hα-helixtrans-79.8-43.1-178.1-68-176.112.700113.4Y43 M49 A50Y43-Q46 PolarHBondContact O-N 3.37Å; Q46-M49 PolarHBondContact O-N 3.19Å; Q46-A50 WeakPolarHBondContact O-CB 3.05Å; Q46-A50 PolarHBondContact O-N 2.71Å
47L26.3Very low29.8Very low112 Ų112120.8 Ų120.859%0.58660%0.601SS**Hα-helixtrans-69.1-38.8-178.9-79171.6000112.3Y43 M49 A50 Y51Y43-L47 HydrophobicContact CD1-CD1 3.96Å; Y43-L47 HydrophobicContact CD1-CG 4.23Å; Y43-L47 PolarHBondContact O-N 3.26Å; Y43-L47 VanDerWaalsContact O-N 3.14Å; L47-M49 VanDerWaalsContact C-N 3.34Å; L47-A50 PolarHBondContact O-N 2.59Å; L47-Y51 PolarHBondContact O-N 3.47Å
48H31.8Very low29.6Very low125 Ų125122.3 Ų122.358%0.57961%0.607SS**Hα-helixtrans-70.6-33.3179.6-13990.6000111.8L44 H52L44-H48 WeakPolarHBondContact O-CB 3.13Å; L44-H48 PolarHBondContact O-N 3.04Å; H48-H52 AromaticContact CD2-CD2 3.79Å; H48-H52 AromaticContact NE2-NE2 3.77Å; H48-H52 PolarHBondContact O-CD2 2.84Å
49M27.9Very low29.2Very low113 Ų113120.5 Ų120.556%0.55761%0.605SS**Hα-helixtrans-66-46.3169.5-77.8-17748.200111.6T45 Q46 L47 Y51 H52 F53T45-M49 WeakPolarHBondContact O-CB 2.84Å; T45-M49 VanDerWaalsContact O-CG 3.29Å; T45-M49 WeakPolarHBondContact O-CG 3.47Å; T45-M49 PolarHBondContact O-N 3.37Å; Q46-M49 PolarHBondContact O-N 3.19Å; L47-M49 VanDerWaalsContact C-N 3.34Å; M49-Y51 PolarHBondContact O-N 2.85Å; M49-H52 PolarHBondContact O-N 3.2Å; M49-F53 HydrophobicContact CB-CD2 4.46Å; M49-F53 HydrophobicContact CB-CE2 3.98Å; M49-F53 HydrophobicContact CE-CE2 3.79Å; M49-F53 HydrophobicContact CE-CZ 3.9Å; M49-F53 WeakPolarHBondContact O-CD2 3.32Å; M49-F53 PolarHBondContact O-N 3Å; M49-F53 VanDerWaalsContact O-N 3.17Å
50A28.1Very low29Very low59 Ų59120.2 Ų120.249%0.48861%0.613SS.*Hα-helixtrans-58.2-43-179.300000113.2Q46 L47 H52 F53Q46-A50 WeakPolarHBondContact O-CB 3.05Å; Q46-A50 PolarHBondContact O-N 2.71Å; L47-A50 PolarHBondContact O-N 2.59Å; A50-H52 VanDerWaalsContact C-N 3.26Å; A50-H52 PolarHBondContact O-N 2.66Å; A50-F53 PolarHBondContact O-N 3.3Å
51Y31Very low28.9Very low203 Ų203128 Ų12880%0.79665%0.645SS**Hα-helixtrans-69.6-22.8-176.7-137.8-89000113.6L47 M49L47-Y51 PolarHBondContact O-N 3.47Å; M49-Y51 PolarHBondContact O-N 2.85Å
52H30.3Very low28.6Very low77 Ų77125.7 Ų125.736%0.35664%0.637SS.*Hα-helixtrans-102.9-5.5179.7-69.2-63.7000114.3H48 M49 A50 P54 N55 Y56H48-H52 AromaticContact CD2-CD2 3.79Å; H48-H52 AromaticContact NE2-NE2 3.77Å; H48-H52 PolarHBondContact O-CD2 2.84Å; M49-H52 PolarHBondContact O-N 3.2Å; A50-H52 VanDerWaalsContact C-N 3.26Å; A50-H52 PolarHBondContact O-N 2.66Å; H52-P54 VanDerWaalsContact C-CD 3.41Å; H52-N55 PolarHBondContact O-N 2.97Å; H52-Y56 HydrophobicContact CB-CD2 4.43Å; H52-Y56 HydrophobicContact CB-CE2 3.86Å; H52-Y56 WeakPolarHBondContact O-CD2 3.44Å; H52-Y56 PolarHBondContact O-N 2.99Å
53F30.5Very low28.4Very low114 Ų114126 Ų12650%0.564%0.639SS.*G310 helixtrans-54.6-36176.7-96.2-70.7000115.6M49 A50 N55 Y56M49-F53 HydrophobicContact CB-CD2 4.46Å; M49-F53 HydrophobicContact CB-CE2 3.98Å; M49-F53 HydrophobicContact CE-CE2 3.79Å; M49-F53 HydrophobicContact CE-CZ 3.9Å; M49-F53 WeakPolarHBondContact O-CD2 3.32Å; M49-F53 PolarHBondContact O-N 3Å; M49-F53 VanDerWaalsContact O-N 3.17Å; A50-F53 PolarHBondContact O-N 3.3Å; F53-N55 PolarHBondContact O-N 2.79Å; F53-Y56 PolarHBondContact O-N 2.83Å; F53-Y56 VanDerWaalsContact O-N 3.11Å
54P33.2Very low28.4Very low84 Ų84126.3 Ų126.355%0.54565%0.649SS.*G310 helixtrans-64.2-28.6175.8-20.732.1000113.2H52 Y56 H57H52-P54 VanDerWaalsContact C-CD 3.41Å; P54-Y56 VanDerWaalsContact C-N 3.32Å; P54-H57 PolarHBondContact O-ND1 3Å
55N33.5Very low28.3Very low135 Ų135125.7 Ų125.772%0.72265%0.65SS**G310 helixtrans-82.5-12.7177.6-67.7-6.1000112.4H52 F53 H57H52-N55 PolarHBondContact O-N 2.97Å; F53-N55 PolarHBondContact O-N 2.79Å; N55-H57 PolarHBondContact O-N 3.31Å; N55-H57 VanDerWaalsContact O-N 3.15Å
56Y28.8Very low28.1Very low150 Ų150128.8 Ų128.859%0.58866%0.664SS**  trans-85.548.6165.6-63.8-78.5000110.3H52 F53 P54 H58H52-Y56 HydrophobicContact CB-CD2 4.43Å; H52-Y56 HydrophobicContact CB-CE2 3.86Å; H52-Y56 WeakPolarHBondContact O-CD2 3.44Å; H52-Y56 PolarHBondContact O-N 2.99Å; F53-Y56 PolarHBondContact O-N 2.83Å; F53-Y56 VanDerWaalsContact O-N 3.11Å; P54-Y56 VanDerWaalsContact C-N 3.32Å; Y56-H58 VanDerWaalsContact C-N 3.34Å; Y56-H58 PolarHBondContact O-N 2.78Å; Y56-H58 PolarHBondContact O-ND1 2.98Å
57H25.9Very low28.1Very low162 Ų162130.8 Ų130.875%0.7568%0.675SS**  trans-57.6111.3154.9-88.251.4000105.8P54 N55 G59P54-H57 PolarHBondContact O-ND1 3Å; N55-H57 PolarHBondContact O-N 3.31Å; N55-H57 VanDerWaalsContact O-N 3.15Å; H57-G59 PolarHBondContact O-N 3.15Å
58H27.9Very low28.1Very low173 Ų173134.2 Ų134.280%0.80169%0.688SS**  trans-59.187.6170-71.147.8000105.5Y56 N60Y56-H58 VanDerWaalsContact C-N 3.34Å; Y56-H58 PolarHBondContact O-N 2.78Å; Y56-H58 PolarHBondContact O-ND1 2.98Å; H58-N60 PolarHBondContact O-N 3.3Å
59G26.4Very low27.8Very low62 Ų62136.6 Ų136.664%0.63970%0.699SS**  trans-64.593178.900000106.8H57 M61H57-G59 PolarHBondContact O-N 3.15Å; G59-M61 PolarHBondContact O-N 3.01Å
60N26.4Very low27.7Very low144 Ų144136.7 Ų136.777%0.7771%0.711SS**  trans-51.985.4140.4-82.6-10.3000105.3H58 T62H58-N60 PolarHBondContact O-N 3.3Å; N60-T62 PolarHBondContact O-N 3.33Å
61M25.4Very low27.5Very low192 Ų192139.8 Ų139.895%0.94672%0.72SS**  trans-6769.5164.1-88-170.7-179.200106.9G59G59-M61 PolarHBondContact O-N 3.01Å
62T25.2Very low27.3Very low104 Ų104140.9 Ų140.964%0.63872%0.724SS**  trans-100.4106.5158.947.20000105.6N60N60-T62 PolarHBondContact O-N 3.33Å
63N24.4Very low27Very low139 Ų139144.2 Ų144.274%0.74375%0.745SS**  trans70.291.4156.5-50.4-20000117.4
64I25.9Very low26.8Very low161 Ų161146.1 Ų146.183%0.82676%0.76SS**  -136.685.4126-58.5-176.2000106.6D66I64-D66 PolarHBondContact O-N 2.74Å
65V25.9Very low26.5Very low114 Ų114150 Ų15069%0.69178%0.776SS**  trans-78.798.9163.51750000105.7
66D27.4Very low26.4Very low152 Ų152151 Ų15181%0.81378%0.781SS**  trans-113.839.6151.2-79.6-26.5000108.7I64I64-D66 PolarHBondContact O-N 2.74Å
67M28.4Very low26.4Very low172 Ų172152 Ų15285%0.84780%0.796SS**SBendtrans-108.992.3157.7-87.6-161.3-176.700107.9Q69M67-Q69 PolarHBondContact O-N 3.2Å; M67-Q69 VanDerWaalsContact O-N 3.1Å
68E26.8Very low26.6Very low184 Ų184155.4 Ų155.486%0.8680%0.802SS**  trans-21.6105.3158.1-63.3174.6154.700112.6S70E68-S70 PolarHBondContact O-N 3.22Å
69Q24Very low26.7Very low174 Ų174154.3 Ų154.381%0.81380%0.803SS**  38.883.4123.7-155.8149.513.400116M67M67-Q69 PolarHBondContact O-N 3.2Å; M67-Q69 VanDerWaalsContact O-N 3.1Å
70S26.6Very low26.9Very low115 Ų115157 Ų15780%0.80481%0.808SS**  trans-117.8105.1148510000109.3E68 Y72E68-S70 PolarHBondContact O-N 3.22Å; S70-Y72 PolarHBondContact O-N 2.84Å
71N24.2Very low27.4Very low125 Ų125155.8 Ų155.867%0.66881%0.809SS**  trans-48.7122.6170.4-82.7-21.8000111.3
72Y25.6Very low27.8Very low226 Ų226151.1 Ų151.189%0.88680%0.795SS**  trans-149.694.7139.7-90.2-73.7000108.7S70 N74S70-Y72 PolarHBondContact O-N 2.84Å; Y72-N74 PolarHBondContact O-N 3.42Å
73D25.4Very low28.2Very low147 Ų147152.1 Ų152.179%0.78680%0.796SS**  trans-53.4118.2160.1-75-47.5000109.3
74N26.6Very low28.6Very low154 Ų154151.5 Ų151.582%0.82479%0.793SS**  trans-160.793.3150.5-92.7-38.9000109.4Y72 L76Y72-N74 PolarHBondContact O-N 3.42Å; N74-L76 PolarHBondContact O-N 3.05Å; N74-L76 VanDerWaalsContact O-N 3.15Å
75N26.7Very low28.9Very low165 Ų165150.1 Ų150.188%0.88279%0.787SS**  trans-52.6109.7158.5-82.8-45.4000109.7
76L31.2Very low29.2Very low156 Ų156150.4 Ų150.482%0.81779%0.785SS**  trans-147.2115.2154.5-137.388.7000109.4N74 R78N74-L76 PolarHBondContact O-N 3.05Å; N74-L76 VanDerWaalsContact O-N 3.15Å; L76-R78 PolarHBondContact O-N 2.86Å
77N27.6Very low29.3Very low171 Ų171147.8 Ų147.891%0.91478%0.779SS**  trans-34.298.5166.9-85.5-31.4000111.9
78R31.4Very low29.5Very low233 Ų233146 Ų14688%0.87977%0.768SS**  trans-106.2119161.2-77.6-170.4177.6-154.40.8107L76L76-R78 PolarHBondContact O-N 2.86Å
79N28.9Very low29.7Very low151 Ų151141.4 Ų141.481%0.80775%0.752SS**  trans-42.3141.2171.7-70.1-30000110.4
80P31.7Very low29.8Very low117 Ų117141 Ų14176%0.7674%0.743SS**  trans-54.5130.4-175.222.1-32.3000109.3S82P80-S82 PolarHBondContact O-N 3.05Å
81P36.3Very low30.1Very low120 Ų120138.6 Ų138.678%0.77972%0.721SS**  trans-58.1130.6-179.723.1-30.7000108.4N83P81-N83 PolarHBondContact O-N 3.24Å
82S33.4Very low30.3Very low93 Ų93136.8 Ų136.865%0.6571%0.711SS**  trans-51.7115171.349.60000107.6P80 D84P80-S82 PolarHBondContact O-N 3.05Å; S82-D84 PolarHBondContact O-N 2.83Å; S82-D84 PolarHBondContact OG-OD2 2.89Å
83N33.1Very low30.3Very low126 Ų126130.4 Ų130.467%0.67469%0.689SS**  trans-74.961.4-179.5-167.818.3000108.8P81 N85P81-N83 PolarHBondContact O-N 3.24Å; N83-N85 PolarHBondContact O-N 2.8Å; N83-N85 PolarHBondContact OD1-ND2 3.39Å; N83-N85 PolarHBondContact OD1-OD1 3.1Å
84D34.2Very low30.3Very low126 Ų126128.4 Ų128.467%0.67468%0.682SS**  trans-79.157.8168.1-64.3-44.1000107.8S82 N86S82-D84 PolarHBondContact O-N 2.83Å; S82-D84 PolarHBondContact OG-OD2 2.89Å; D84-N86 PolarHBondContact O-N 3.29Å
85N32.4Very low30.7Very low131 Ų131127.6 Ų127.670%0.70168%0.677SS**  trans-73.467.2169.4-78.6-3.3000108.4N83 S87N83-N85 PolarHBondContact O-N 2.8Å; N83-N85 PolarHBondContact OD1-ND2 3.39Å; N83-N85 PolarHBondContact OD1-OD1 3.1Å; N85-S87 PolarHBondContact O-N 2.89Å
86N32.4Very low31Very low120 Ų120126.9 Ų126.964%0.64267%0.674SS**  trans-67.177154.3-84.3-17.2000107D84 H88D84-N86 PolarHBondContact O-N 3.29Å; N86-H88 PolarHBondContact O-CD2 2.89Å; N86-H88 PolarHBondContact O-N 3.06Å
87S29.3Very low30.9Very low98 Ų98122.8 Ų122.869%0.68567%0.669SS**  trans-64.787.1166.7147.50000107.3N85 V89N85-S87 PolarHBondContact O-N 2.89Å; S87-V89 PolarHBondContact O-N 3.16Å; S87-V89 VanDerWaalsContact O-N 3.12Å
88H31.7Very low30.9Very low135 Ų135122.6 Ų122.663%0.62566%0.66SS**  trans-71.4100.1168.6-68.4-68.1000108.1N86 R90N86-H88 PolarHBondContact O-CD2 2.89Å; N86-H88 PolarHBondContact O-N 3.06Å; H88-R90 PolarHBondContact O-N 3.39Å; H88-R90 VanDerWaalsContact O-N 3.15Å
89V30.8Very low30.7Very low87 Ų87115.5 Ų115.553%0.52764%0.642SS.*  trans-72.9104.2172.2-177.30000107.7S87 I91S87-V89 PolarHBondContact O-N 3.16Å; S87-V89 VanDerWaalsContact O-N 3.12Å; V89-I91 HydrophobicContact CG1-CG1 3.95Å; V89-I91 PolarHBondContact O-N 3.18Å
90R27.4Very low30.8Very low166 Ų166114.5 Ų114.563%0.62663%0.633SS**  trans-78.5106.3169.9-98.3-176.3173.1-179.3-2.2108.7H88 N92H88-R90 PolarHBondContact O-N 3.39Å; H88-R90 VanDerWaalsContact O-N 3.15Å; R90-N92 PolarHBondContact O-N 2.69Å
91I32.6Very low30.6Very low64 Ų64112.4 Ų112.433%0.32861%0.614SS.*EExtended strand (participates in β ladder)trans-93.197.9169-50.2177000107.5V89 H93V89-I91 HydrophobicContact CG1-CG1 3.95Å; V89-I91 PolarHBondContact O-N 3.18Å; I91-H93 VanDerWaalsContact CG2-NE2 3.27Å; I91-H93 WeakPolarHBondContact CG2-NE2 3.45Å; I91-H93 PolarHBondContact O-N 3.31Å
92N26.8Very low30.5Very low86 Ų86111 Ų11146%0.4660%0.599SS.*EExtended strand (participates in β ladder)trans-80.7107172.6-69.3-24.8000108.4R90 T99R90-N92 PolarHBondContact O-N 2.69Å; N92-T99 HydrophobicContact CB-CG2 4.18Å
93H27.3Very low30.3Very low92 Ų92113.6 Ų113.643%0.42660%0.596SS.*EExtended strand (participates in β ladder)trans-88.5110.5166.7-68.4-72.8000109I91 L95I91-H93 VanDerWaalsContact CG2-NE2 3.27Å; I91-H93 WeakPolarHBondContact CG2-NE2 3.45Å; I91-H93 PolarHBondContact O-N 3.31Å; H93-L95 PolarHBondContact O-N 2.82Å
94T25.4Very low30.2Very low105 Ų105114 Ų11464%0.64459%0.594SS**EExtended strand (participates in β ladder)trans-88.583.2172.6-370000108.4
95L33.4Very low30.2Very low137 Ų137111.9 Ų111.972%0.71759%0.586SS**EExtended strand (participates in β ladder)trans-101.8109.3164.8-73.1163000106.5H93H93-L95 PolarHBondContact O-N 2.82Å
96D34.2Very low30.1Very low151 Ų151109 Ų10981%0.80757%0.574SS**THydrogen-bonded Turntrans62.441.8173.2-60.9-16.1000117.9K98D96-K98 PolarHBondContact O-N 2.94Å; D96-K98 VanDerWaalsContact O-N 3.15Å
97G29Very low30.4Very low69 Ų69107.9 Ų107.971%0.71158%0.575SS**THydrogen-bonded Turntrans74.85.1166.100000115.2
98K27.3Very low30.5Very low167 Ų167111.8 Ų111.873%0.72658%0.58SS**EExtended strand (participates in β ladder)trans-113.5101.7167.3-66.9-176.2-177.9-179.60108.2D96 Q100D96-K98 PolarHBondContact O-N 2.94Å; D96-K98 VanDerWaalsContact O-N 3.15Å; K98-Q100 PolarHBondContact O-N 3.15Å
99T26.2Very low30.7Very low84 Ų84108.4 Ų108.452%0.51557%0.569SS.*EExtended strand (participates in β ladder)trans-57.7100.5176.9-41.30000109.3N92 I101N92-T99 HydrophobicContact CB-CG2 4.18Å; T99-I101 HydrophobicContact CG2-CG1 4.39Å; T99-I101 PolarHBondContact O-N 3.04Å
100Q32Very low30.8Very low131 Ų131111.8 Ų111.861%0.61257%0.572SS**EExtended strand (participates in β ladder)trans-81103.7168.5-78.7-176.47.800107.3K98 I102K98-Q100 PolarHBondContact O-N 3.15Å; Q100-I102 VanDerWaalsContact C-N 3.35Å; Q100-I102 PolarHBondContact O-N 3.37Å
101I28.4Very low31.3Very low72 Ų72108.6 Ų108.637%0.36956%0.564SS.*EExtended strand (participates in β ladder)trans-74.993171.8-54.5172.3000106.6T99 Y103T99-I101 HydrophobicContact CG2-CG1 4.39Å; T99-I101 PolarHBondContact O-N 3.04Å; I101-Y103 HydrophobicContact CB-CE2 4.1Å; I101-Y103 HydrophobicContact CG2-CD1 4.36Å; I101-Y103 HydrophobicContact CG2-CD2 3.79Å; I101-Y103 HydrophobicContact CG2-CE1 4.03Å; I101-Y103 HydrophobicContact CG2-CE2 3.42Å; I101-Y103 VanDerWaalsContact CG2-CE2 3.42Å; I101-Y103 HydrophobicContact CG2-CG 4.25Å; I101-Y103 PolarHBondContact O-N 3.04Å
102I32.5Very low31.3Very low90 Ų90111.3 Ų111.346%0.46257%0.571SS.*EExtended strand (participates in β ladder)trans-8198.6170.3-55.3-178.4000106.1Q100 E104Q100-I102 VanDerWaalsContact C-N 3.35Å; Q100-I102 PolarHBondContact O-N 3.37Å; I102-E104 PolarHBondContact O-N 2.62Å; I102-E104 VanDerWaalsContact O-N 3.11Å
103Y30.4Very low31.9Very low148 Ų148114.2 Ų114.258%0.5858%0.576SS**  trans-67.7107169.6-69.2-85.8000108I101 T105I101-Y103 HydrophobicContact CB-CE2 4.1Å; I101-Y103 HydrophobicContact CG2-CD1 4.36Å; I101-Y103 HydrophobicContact CG2-CD2 3.79Å; I101-Y103 HydrophobicContact CG2-CE1 4.03Å; I101-Y103 HydrophobicContact CG2-CE2 3.42Å; I101-Y103 VanDerWaalsContact CG2-CE2 3.42Å; I101-Y103 HydrophobicContact CG2-CG 4.25Å; I101-Y103 PolarHBondContact O-N 3.04Å; Y103-T105 PolarHBondContact O-N 3.47Å
104E31.4Very low32.3Very low136 Ų136113.4 Ų113.464%0.63657%0.574SS**  trans-63.587.6156.9-85.9-168.2147.600107.2I102 P106I102-E104 PolarHBondContact O-N 2.62Å; I102-E104 VanDerWaalsContact O-N 3.11Å; E104-P106 WeakPolarHBondContact O-CD 3.42Å
105T33.3Very low32.6Very low81 Ų81112.1 Ų112.150%0.49756%0.563SS.*  trans-62.2126.1176.248.80000108.6Y103 S107Y103-T105 PolarHBondContact O-N 3.47Å; T105-S107 PolarHBondContact O-N 3.29Å
106P29.9Very low32.6Very low70 Ų70112.3 Ų112.346%0.45556%0.555SS.*  trans-55.8139.8-178.811.6-20.9000111.3E104 K108 T109E104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-K108 PolarHBondContact O-N 2.77Å; P106-T109 PolarHBondContact O-N 2.95Å; P106-T109 PolarHBondContact O-OG1 2.75Å
107S39.9Very low32.5Very low96 Ų96108.3 Ų108.367%0.67154%0.538SS*.Hα-helixtrans-43.3-29.9-163.860.20000117T105 Q111T105-S107 PolarHBondContact O-N 3.29Å; S107-Q111 PolarHBondContact O-N 3.14Å
108K30.7Very low32.9Very low181 Ų181112.2 Ų112.279%0.78754%0.535SS*.Hα-helixtrans-67.1-38.7178.8-72.7-176.1179.1176.60113.2P106 Q111 Y112P106-K108 PolarHBondContact O-N 2.77Å; K108-Q111 PolarHBondContact O-N 2.84Å; K108-Y112 WeakPolarHBondContact O-CB 3.44Å; K108-Y112 PolarHBondContact O-N 3.44Å
109T35.6Very low33.2Very low63 Ų63109.4 Ų109.439%0.38753%0.528SS..Hα-helixtrans-71-38.9-179.9-29.80000110.5P106 Q111 Y112 W113P106-T109 PolarHBondContact O-N 2.95Å; P106-T109 PolarHBondContact O-OG1 2.75Å; T109-Q111 PolarHBondContact O-N 3.37Å; T109-Y112 WeakPolarHBondContact O-CB 3.46Å; T109-Y112 PolarHBondContact O-N 3.15Å; T109-W113 PolarHBondContact O-N 2.91Å
110R33.3Very low33.5Very low159 Ų159109.8 Ų109.860%0.653%0.534SS*.Hα-helixtrans-61.2-43.8173.1-175.4175.9-178.5-96.53.4111.5W113 L114R110-W113 PolarHBondContact O-N 3.29Å; R110-L114 HydrophobicContact CG-CD1 4.18Å; R110-L114 WeakPolarHBondContact O-CB 3.41Å; R110-L114 VanDerWaalsContact O-CG 3.29Å; R110-L114 WeakPolarHBondContact O-CG 3.41Å; R110-L114 PolarHBondContact O-N 3.29Å
111Q37.7Very low33.5Very low98 Ų98107.7 Ų107.746%0.45853%0.533SS..Hα-helixtrans-63.7-43.1176.4-164.363.548.200111.3S107 K108 T109 W113 L114 D115S107-Q111 PolarHBondContact O-N 3.14Å; K108-Q111 PolarHBondContact O-N 2.84Å; T109-Q111 PolarHBondContact O-N 3.37Å; Q111-W113 VanDerWaalsContact C-N 3.33Å; Q111-W113 PolarHBondContact O-N 2.94Å; Q111-L114 PolarHBondContact O-N 2.96Å; Q111-D115 PolarHBondContact NE2-OD1 2.76Å; Q111-D115 WeakPolarHBondContact O-CB 3.46Å; Q111-D115 PolarHBondContact O-N 3.23Å
112Y33.1Very low33.8Very low121 Ų121109.9 Ų109.948%0.47555%0.545SS..Hα-helixtrans-57.6-42.9175-178-94.5000112.7K108 T109 D115 R116K108-Y112 WeakPolarHBondContact O-CB 3.44Å; K108-Y112 PolarHBondContact O-N 3.44Å; T109-Y112 WeakPolarHBondContact O-CB 3.46Å; T109-Y112 PolarHBondContact O-N 3.15Å; Y112-D115 PolarHBondContact O-N 3.33Å; Y112-R116 HydrophobicContact CE1-CG 4.32Å; Y112-R116 PolarHBondContact O-N 3.41Å; Y112-R116 PolarHBondContact OH-NE 3.42Å; Y112-R116 PolarHBondContact OH-NH2 2.98Å
113W38Very low33.6Very low147 Ų147111.8 Ų111.856%0.55756%0.556SS**Hα-helixtrans-68.9-41.1176-77113.6000112.9T109 R110 Q111 D115 R116 C117T109-W113 PolarHBondContact O-N 2.91Å; R110-W113 PolarHBondContact O-N 3.29Å; Q111-W113 VanDerWaalsContact C-N 3.33Å; Q111-W113 PolarHBondContact O-N 2.94Å; W113-D115 VanDerWaalsContact C-N 3.31Å; W113-D115 PolarHBondContact O-N 2.91Å; W113-R116 PolarHBondContact O-N 3.43Å; W113-C117 PolarHBondContact O-N 3.43Å; W113-C117 PolarHBondContact O-SG 3.48Å; W113-C117 VanDerWaalsContact O-SG 3.42Å
114L37Very low33.6Very low76 Ų76114 Ų11440%0.39856%0.564SS.*Hα-helixtrans-61.8-40.7174.8-72.8172000111.4R110 Q111 C117 K118R110-L114 HydrophobicContact CG-CD1 4.18Å; R110-L114 WeakPolarHBondContact O-CB 3.41Å; R110-L114 VanDerWaalsContact O-CG 3.29Å; R110-L114 WeakPolarHBondContact O-CG 3.41Å; R110-L114 PolarHBondContact O-N 3.29Å; Q111-L114 PolarHBondContact O-N 2.96Å; L114-C117 PolarHBondContact O-N 3.39Å; L114-K118 WeakPolarHBondContact O-CB 3.29Å; L114-K118 PolarHBondContact O-N 3.36Å
115D32.3Very low33.6Very low77 Ų77113.6 Ų113.641%0.41257%0.565SS.*Hα-helixtrans-67.8-40.8178.9-68-13.2000111.2Q111 Y112 W113 K118 L119Q111-D115 PolarHBondContact NE2-OD1 2.76Å; Q111-D115 WeakPolarHBondContact O-CB 3.46Å; Q111-D115 PolarHBondContact O-N 3.23Å; Y112-D115 PolarHBondContact O-N 3.33Å; W113-D115 VanDerWaalsContact C-N 3.31Å; W113-D115 PolarHBondContact O-N 2.91Å; D115-K118 PolarHBondContact O-N 3.48Å; D115-L119 WeakPolarHBondContact O-CG 3.5Å; D115-L119 PolarHBondContact O-N 2.93Å
116R32.1Very low33.6Very low141 Ų141115.4 Ų115.453%0.53257%0.572SS.*Hα-helixtrans-61.8-43.9171.7-81.2-140.6-166.8-178.98.3112.8Y112 W113 K118 L119 S120Y112-R116 HydrophobicContact CE1-CG 4.32Å; Y112-R116 PolarHBondContact O-N 3.41Å; Y112-R116 PolarHBondContact OH-NE 3.42Å; Y112-R116 PolarHBondContact OH-NH2 2.98Å; W113-R116 PolarHBondContact O-N 3.43Å; R116-K118 VanDerWaalsContact C-N 3.28Å; R116-K118 PolarHBondContact O-N 3.03Å; R116-L119 PolarHBondContact O-N 3.47Å; R116-S120 PolarHBondContact O-N 3.31Å
117C33.4Very low33.8Very low67 Ų67118.8 Ų118.845%0.45359%0.586SS.*Hα-helixtrans-61.8-39.2177.5-76.20000111.4W113 L114 L119 S120 S121W113-C117 PolarHBondContact O-N 3.43Å; W113-C117 PolarHBondContact O-SG 3.48Å; W113-C117 VanDerWaalsContact O-SG 3.42Å; L114-C117 PolarHBondContact O-N 3.39Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.38Å; C117-S120 PolarHBondContact O-N 2.97Å; C117-S120 PolarHBondContact O-OG 3.48Å; C117-S121 PolarHBondContact O-N 3.36Å
118K37Very low33.5Very low152 Ų152121 Ų12166%0.66159%0.59SS**Hα-helixtrans-68.2-31.1177.2-148.4176.7-173.2-1780112.8L114 D115 R116 S121 I122L114-K118 WeakPolarHBondContact O-CB 3.29Å; L114-K118 PolarHBondContact O-N 3.36Å; D115-K118 PolarHBondContact O-N 3.48Å; R116-K118 VanDerWaalsContact C-N 3.28Å; R116-K118 PolarHBondContact O-N 3.03Å; K118-S121 PolarHBondContact O-OG 3.41Å; K118-I122 WeakPolarHBondContact O-CD1 3.33Å; K118-I122 WeakPolarHBondContact O-CG1 3.5Å
119L32.4Very low33.7Very low108 Ų108118.8 Ų118.857%0.56559%0.587SS**Hα-helixtrans-75.7-33.7173.3-70.7169.3000112.2D115 R116 C117 S121 I122D115-L119 WeakPolarHBondContact O-CG 3.5Å; D115-L119 PolarHBondContact O-N 2.93Å; R116-L119 PolarHBondContact O-N 3.47Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.38Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 3.2Å; L119-I122 PolarHBondContact O-N 3.02Å
120S33.5Very low33.7Very low92 Ų92120.7 Ų120.764%0.64360%0.603SS**Hα-helixtrans-66.8-26.5179.873.10000113.4R116 C117R116-S120 PolarHBondContact O-N 3.31Å; C117-S120 PolarHBondContact O-N 2.97Å; C117-S120 PolarHBondContact O-OG 3.48Å
121S32.6Very low33.8Very low86 Ų86118.8 Ų118.860%0.60161%0.605SS**THydrogen-bonded Turntrans-86-11.5179.453.80000114.9C117 K118 L119C117-S121 PolarHBondContact O-N 3.36Å; K118-S121 PolarHBondContact O-OG 3.41Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 3.2Å
122I33.6Very low33.5Very low119 Ų119120.6 Ų120.661%0.6162%0.618SS**THydrogen-bonded Turntrans-85.3-22.2-177.5-68.2170.3000112.3K118 L119K118-I122 WeakPolarHBondContact O-CD1 3.33Å; K118-I122 WeakPolarHBondContact O-CG1 3.5Å; L119-I122 PolarHBondContact O-N 3.02Å
123N29.1Very low33.7Very low129 Ų129121.5 Ų121.569%0.6963%0.629SS**  trans-111.122-171.6-75.9-6.3000115.5I125N123-I125 PolarHBondContact O-N 3.35Å
124Y29Very low33.5Very low194 Ų194120.9 Ų120.976%0.76164%0.637SS**  trans-77.876.2162.4-147.2-90.5000109D126Y124-D126 WeakPolarHBondContact CD1-OD1 3.5Å; Y124-D126 VanDerWaalsContact CE1-OD1 3.23Å; Y124-D126 WeakPolarHBondContact CE1-OD1 3Å; Y124-D126 PolarHBondContact O-N 3.18Å; Y124-D126 VanDerWaalsContact O-N 3.14Å
125I31.8Very low33.2Very low128 Ų128124.8 Ų124.866%0.65666%0.658SS**  trans-67.7105.2161.4-62.6172.1000104.6N123 N127N123-I125 PolarHBondContact O-N 3.35Å; I125-N127 PolarHBondContact O-N 2.84Å
126D34Very low33.2Very low119 Ų119128.1 Ų128.164%0.63668%0.676SS**  trans-5887.5167-89.8-28.8000107.7Y124 N128Y124-D126 WeakPolarHBondContact CD1-OD1 3.5Å; Y124-D126 VanDerWaalsContact CE1-OD1 3.23Å; Y124-D126 WeakPolarHBondContact CE1-OD1 3Å; Y124-D126 PolarHBondContact O-N 3.18Å; Y124-D126 VanDerWaalsContact O-N 3.14Å; D126-N128 PolarHBondContact O-N 3.12Å
127N33.4Very low33.1Very low142 Ų142128.2 Ų128.276%0.75969%0.687SS**  trans-77.653.8175.1-120.77.2000109.3I125I125-N127 PolarHBondContact O-N 2.84Å
128N33.3Very low33Very low141 Ų141131.9 Ų131.975%0.75470%0.702SS**  trans-103.343.5167.4-79.5-14.7000109.6D126 S130D126-N128 PolarHBondContact O-N 3.12Å; N128-S130 PolarHBondContact O-N 2.84Å
129N35Very low32.6Very low135 Ų135131 Ų13172%0.72271%0.705SS**  trans-90.888.1154-94.4-1.9000107.1N131N129-N131 PolarHBondContact O-N 2.84Å
130S36.8Very low32.5Very low104 Ų104132.1 Ų132.173%0.72772%0.717SS**  trans-5877.2159.8170.60000108.7N128 N132N128-S130 PolarHBondContact O-N 2.84Å; S130-N132 PolarHBondContact O-N 2.98Å
131N35.7Very low32.4Very low119 Ų119133.5 Ų133.564%0.63672%0.716SS**  trans-73.683.8164.4-77.7-3.6000106.7N129 I133N129-N131 PolarHBondContact O-N 2.84Å; N131-I133 HydrophobicContact CB-CD1 4.27Å; N131-I133 HydrophobicContact CB-CG1 4.2Å; N131-I133 PolarHBondContact O-N 3.45Å
132N29.6Very low32.1Very low136 Ų136136.4 Ų136.473%0.72773%0.725SS**  trans-59.183151.9-104.9-5.6000106.3S130 D134S130-N132 PolarHBondContact O-N 2.98Å; N132-D134 PolarHBondContact O-N 3.38Å
133I37.9Very low31.8Very low139 Ų139137.4 Ų137.471%0.71373%0.732SS**  trans-89.495.9162-66.4168.8000103.6N131 N135N131-I133 HydrophobicContact CB-CD1 4.27Å; N131-I133 HydrophobicContact CB-CG1 4.2Å; N131-I133 PolarHBondContact O-N 3.45Å; I133-N135 PolarHBondContact O-N 3.06Å
134D33.7Very low31.8Very low135 Ų135138.4 Ų138.472%0.72274%0.737SS**  trans-47.3124.2171.7-76.1-43.7000109N132 N136N132-D134 PolarHBondContact O-N 3.38Å; D134-N136 PolarHBondContact O-N 2.92Å
135N31.4Very low31.8Very low157 Ų157136.4 Ų136.484%0.8474%0.74SS**  trans-73.271.3-172.3-154.712.7000108.6I133 N137I133-N135 PolarHBondContact O-N 3.06Å; N135-N137 PolarHBondContact O-N 2.86Å
136N31Very low31.6Very low147 Ų147136.9 Ų136.979%0.78674%0.744SS**  trans-92.186.9176.9-129.52.9000109.2D134 N138D134-N136 PolarHBondContact O-N 2.92Å; N136-N138 PolarHBondContact O-N 3.17Å; N136-N138 VanDerWaalsContact O-N 3.13Å
137N31.5Very low31.4Very low143 Ų143138.8 Ų138.877%0.76575%0.754SS**  trans-41.6112.3157.4-104.9-19.1000109.6N135N135-N137 PolarHBondContact O-N 2.86Å
138N30.5Very low31.1Very low145 Ų145138.1 Ų138.178%0.77575%0.75SS**  trans-144.6103.2149-92.8-27.6000109N136 T140N136-N138 PolarHBondContact O-N 3.17Å; N136-N138 VanDerWaalsContact O-N 3.13Å; N138-T140 PolarHBondContact O-N 3.39Å
139N29.2Very low30.8Very low132 Ų132138 Ų13871%0.70675%0.75SS**  trans-48.9120.9171-156.930.4000109.7D141N139-D141 PolarHBondContact ND2-OD2 2.76Å; N139-D141 PolarHBondContact OD1-OD2 2.77Å
140T29.3Very low30.6Very low133 Ų133138.3 Ų138.382%0.81675%0.75SS**  trans-132.478.2162.1-38.20000107.8N138 N142N138-T140 PolarHBondContact O-N 3.39Å; T140-N142 PolarHBondContact O-N 2.78Å
141D31.3Very low30.1Very low120 Ų120139.3 Ų139.364%0.64275%0.747SS**  trans-57.3108.6158.7-68.3-53.8000108.6N139N139-D141 PolarHBondContact ND2-OD2 2.76Å; N139-D141 PolarHBondContact OD1-OD2 2.77Å
142N27.8Very low29.8Very low147 Ų147139.3 Ų139.379%0.78675%0.747SS**  trans-174113.5141-104.7-29000113T140T140-N142 PolarHBondContact O-N 2.78Å
143N26.6Very low29.6Very low141 Ų141139.2 Ų139.275%0.75475%0.746SS**  trans7.7113.5140.7-76.1-28.4000117.1
144N29.5Very low29.2Very low150 Ų150138.4 Ų138.480%0.80274%0.744SS**  -169.7113.6106.6-91.7-22.8000111.7D146N144-D146 PolarHBondContact O-N 3.42Å
145N28.2Very low28.8Very low151 Ų151138.2 Ų138.281%0.80774%0.743SS**  trans-9.699.6148-153.923.5000115.9
146D27.7Very low28.7Very low138 Ų138136.2 Ų136.274%0.73873%0.731SS**  trans-125.3113.6154.8-91.9-28.4000108.7N144 N148N144-D146 PolarHBondContact O-N 3.42Å; D146-N148 PolarHBondContact O-N 3.14Å
147N29.9Very low28.4Very low159 Ų159135.8 Ų135.885%0.8573%0.729SS**  trans-69.957176.3-136.74.5000109.5N149N147-N149 PolarHBondContact O-N 3.17Å
148N27.6Very low28.2Very low129 Ų129136.1 Ų136.169%0.6973%0.725SS**  trans-9283.9176.2-86.6-22.5000109.1D146 I150D146-N148 PolarHBondContact O-N 3.14Å; N148-I150 PolarHBondContact O-N 3.34Å
149N25.9Very low28Very low138 Ų138135.8 Ų135.874%0.73872%0.722SS**  trans14.184.2131.9-148.916.3000112.4N147 N151N147-N149 PolarHBondContact O-N 3.17Å; N149-N151 PolarHBondContact O-N 3.45Å
150I31.6Very low27.9Very low141 Ų141136 Ų13672%0.72372%0.722SS**  trans-67.284.1164.5-60.4174.6000104.5N148 N152N148-I150 PolarHBondContact O-N 3.34Å; I150-N152 VanDerWaalsContact CG2-OD1 3.26Å; I150-N152 WeakPolarHBondContact CG2-OD1 3.44Å; I150-N152 PolarHBondContact O-N 2.84Å
151N26.1Very low27.8Very low126 Ų126136 Ų13667%0.67472%0.715SS**  trans-60.680.8157.5-127.65.1000104N149 N153N149-N151 PolarHBondContact O-N 3.45Å; N151-N153 PolarHBondContact O-N 3.05Å
152N29.7Very low27.4Very low119 Ų119136.4 Ų136.464%0.63672%0.716SS**  trans-60.691159.4-91.1-11.5000103.6I150 N154I150-N152 VanDerWaalsContact CG2-OD1 3.26Å; I150-N152 WeakPolarHBondContact CG2-OD1 3.44Å; I150-N152 PolarHBondContact O-N 2.84Å; N152-N154 PolarHBondContact O-N 3Å
153N25Very low27.4Very low133 Ų133135.1 Ų135.171%0.71171%0.709SS**  trans-5682.2155.6-95.3-9.9000105N151 N155N151-N153 PolarHBondContact O-N 3.05Å; N153-N155 PolarHBondContact O-N 3.44Å
154N30.3Very low27.3Very low122 Ų122138.4 Ų138.465%0.65272%0.717SS**  trans-64.177.6155.1-69.5-19.7000104.1N152 I156N152-N154 PolarHBondContact O-N 3Å; N154-I156 HydrophobicContact CB-CD1 4.46Å; N154-I156 HydrophobicContact CB-CG1 4.04Å; N154-I156 PolarHBondContact O-N 3.11Å
155N24.6Very low27.1Very low132 Ų132135.7 Ų135.771%0.70671%0.71SS**  trans-62.876.7154.7-96.74000104.8N153 D157N153-N155 PolarHBondContact O-N 3.44Å; N155-D157 PolarHBondContact O-N 2.83Å
156I29.4Very low27.1Very low114 Ų114135.6 Ų135.659%0.58571%0.709SS**  trans-68.3100.5161.5-57.6173.7000102N154 H158N154-I156 HydrophobicContact CB-CD1 4.46Å; N154-I156 HydrophobicContact CB-CG1 4.04Å; N154-I156 PolarHBondContact O-N 3.11Å; I156-H158 WeakPolarHBondContact CG2-ND1 3.34Å; I156-H158 PolarHBondContact O-N 3.15Å
157D25.3Very low27.5Very low139 Ų139134.8 Ų134.874%0.74371%0.711SS**  trans-57.387.8169.9-72.3-30.2000107.4N155 I159N155-D157 PolarHBondContact O-N 2.83Å; D157-I159 PolarHBondContact O-N 2.7Å
158H27.3Very low27.5Very low149 Ų149134.5 Ų134.569%0.6971%0.71SS**  trans-64.6105.5170.2-74-17.8000105.7I156 I160I156-H158 WeakPolarHBondContact CG2-ND1 3.34Å; I156-H158 PolarHBondContact O-N 3.15Å; H158-I160 VanDerWaalsContact C-N 3.3Å; H158-I160 PolarHBondContact O-N 3.38Å
159I26.4Very low27.5Very low138 Ų138137 Ų13771%0.70872%0.717SS**  trans-61.796172.5-60.5174000107D157 I161D157-I159 PolarHBondContact O-N 2.7Å; I159-I161 HydrophobicContact CG2-CG1 4.21Å; I159-I161 PolarHBondContact O-N 2.94Å; I159-I161 VanDerWaalsContact O-N 3.15Å
160I25.8Very low27.5Very low138 Ų138137.3 Ų137.371%0.70872%0.719SS**  trans-73.4102171.5-59.6173.6000106.2H158 I162H158-I160 VanDerWaalsContact C-N 3.3Å; H158-I160 PolarHBondContact O-N 3.38Å; I160-I162 HydrophobicContact CG2-CG1 3.79Å; I160-I162 PolarHBondContact O-N 3.03Å
161I27.3Very low27.3Very low133 Ų133139.7 Ų139.768%0.68273%0.727SS**  trans-7394.4172.6-57.3176.2000107.6I159 N163I159-I161 HydrophobicContact CG2-CG1 4.21Å; I159-I161 PolarHBondContact O-N 2.94Å; I159-I161 VanDerWaalsContact O-N 3.15Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.47Å; I161-N163 PolarHBondContact O-N 3.07Å
162I23.3Very low27.2Very low127 Ų127142.3 Ų142.365%0.65173%0.729SS**  trans-82.495.4171.2-53.5174.3000107.1I160 K164I160-I162 HydrophobicContact CG2-CG1 3.79Å; I160-I162 PolarHBondContact O-N 3.03Å; I162-K164 PolarHBondContact O-N 3.03Å; I162-K164 VanDerWaalsContact O-N 3.16Å
163N27.2Very low26.9Very low121 Ų121146.3 Ų146.365%0.64774%0.74SS**  trans-67.4111.5169.6-75.1-17.4000108.5I161 S165I161-N163 WeakPolarHBondContact CG2-OD1 3.47Å; I161-N163 PolarHBondContact O-N 3.07Å; N163-S165 PolarHBondContact O-N 3.22Å
164K24.2Very low26.8Very low210 Ų210145 Ų14591%0.91374%0.742SS**  trans-7195.2170.5-74.1-179.7177.6177.60108.6I162I162-K164 PolarHBondContact O-N 3.03Å; I162-K164 VanDerWaalsContact O-N 3.16Å
165S26.5Very low26.4Very low93 Ų93145 Ų14565%0.6575%0.747SS**  trans-120.5125.8162.847.70000108N163N163-S165 PolarHBondContact O-N 3.22Å
166D27.6Very low26.4Very low148 Ų148148.3 Ų148.379%0.79175%0.754SS**  trans3.3141.2-175.2-62.8-43.6000121.8N168D166-N168 VanDerWaalsContact C-N 3.27Å; D166-N168 PolarHBondContact O-N 3.28Å
167P35.7Very low26.1Very low121 Ų121149 Ų14979%0.78676%0.758SS**THydrogen-bonded Turntrans-73.64.7-154.6-14.730.4000117.4
168N30.1Very low26.1Very low153 Ų153151.4 Ų151.482%0.81876%0.762SS**THydrogen-bonded Turntrans-119.612-160.3-89.1-10.4000118.1D166D166-N168 VanDerWaalsContact C-N 3.27Å; D166-N168 PolarHBondContact O-N 3.28Å
169Q28.2Very low25.9Very low182 Ų182153.6 Ų153.685%0.8577%0.766SS**  trans-133.296.7168-68.9-158.5-1.800113.2Q171Q169-Q171 PolarHBondContact O-N 3.37Å
170N25.5Very low25.7Very low144 Ų144153.8 Ų153.877%0.7777%0.768SS**  trans-58.3108.3162.3-72.6-37.3000110.2
171Q27Very low25.7Very low191 Ų191154.1 Ų154.189%0.89377%0.771SS**  trans172.187140-93.4172.940.200109.3Q169 K173Q169-Q171 PolarHBondContact O-N 3.37Å; Q171-K173 PolarHBondContact O-N 3.37Å
172Y25.7Very low25.4Very low181 Ų181156.3 Ų156.371%0.7178%0.778SS**  trans-74.7114.1-178.2-60-85.7000111.1
173K23.7Very low25.6Very low203 Ų203157.4 Ų157.488%0.88379%0.785SS**  trans-96.1107173.5-133.5175.5-174.41770109.9Q171 T175Q171-K173 PolarHBondContact O-N 3.37Å; K173-T175 PolarHBondContact O-N 3.11Å
174S22.7Very low25.6Very low107 Ų107158.7 Ų158.775%0.74879%0.79SS**  trans-66.4120.6175.7173.70000111.2
175T22.2Very low25.5Very low122 Ų122156 Ų15675%0.74879%0.786SS**  trans-97.9108.4171.5480000110.6K173K173-T175 PolarHBondContact O-N 3.11Å
176K23.9Very low25.5Very low200 Ų200158.7 Ų158.787%0.8779%0.793SS**  trans-79.4112.6169.8-71.6179.2179178.70109.4
177I22.8Very low25.3Very low129 Ų129160.9 Ų160.966%0.66280%0.795SS**  trans-93.1116174.2-58.2174.8000108.4Y179I177-Y179 HydrophobicContact CG2-CD2 4.42Å; I177-Y179 HydrophobicContact CG2-CE2 4.01Å
178K24.7Very low24.7Very low190 Ų190162 Ų16283%0.82680%0.795SS**  trans-102.1112.7177.4-156-179.6-173.3-175.10108.3N180K178-N180 PolarHBondContact O-N 3.15Å
179Y24.4Very low24.5Very low195 Ų195161.6 Ų161.677%0.76579%0.793SS**  trans-79114.3177.3-70.7-86.6000109.9I177I177-Y179 HydrophobicContact CG2-CD2 4.42Å; I177-Y179 HydrophobicContact CG2-CE2 4.01Å
180N21.8Very low24.2Very low141 Ų141162.4 Ų162.475%0.75480%0.796SS**  trans-90.4103.1174.4-1080.5000109.1K178 Q182K178-N180 PolarHBondContact O-N 3.15Å; N180-Q182 PolarHBondContact O-N 2.78Å; N180-Q182 VanDerWaalsContact O-N 3.14Å
181N25.7Very low24.3Very low146 Ų146163.6 Ų163.678%0.78180%0.795SS**  trans-75.691.9169.8-72.9-16.6000109.2L183N181-L183 VanDerWaalsContact C-N 3.32Å; N181-L183 PolarHBondContact O-N 3.3Å; N181-L183 VanDerWaalsContact O-N 3.1Å
182Q21.7Very low24.1Very low178 Ų178161.9 Ų161.983%0.83279%0.792SS**  trans-78.388.6164.7-75.9-173.3-18.400108.5N180 I184N180-Q182 PolarHBondContact O-N 2.78Å; N180-Q182 VanDerWaalsContact O-N 3.14Å; Q182-I184 PolarHBondContact O-N 3.39Å
183L27.2Very low24.2Very low150 Ų150160.1 Ų160.179%0.78580%0.795SS**  trans-56.9116.4166.9-94.1147.9000108.9N181 N185N181-L183 VanDerWaalsContact C-N 3.32Å; N181-L183 PolarHBondContact O-N 3.3Å; N181-L183 VanDerWaalsContact O-N 3.1Å; L183-N185 PolarHBondContact O-N 2.94Å
184I25.7Very low24.2Very low148 Ų148157.8 Ų157.876%0.75979%0.792SS**  trans-62.8102.8172.2-65.6169.8000106.9Q182 N186Q182-I184 PolarHBondContact O-N 3.39Å; I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 3.36Å
185N22.5Very low24.5Very low154 Ų154159.2 Ų159.282%0.82479%0.791SS**  trans-60.386.9175.8-83.2-30.4000110.6L183L183-N185 PolarHBondContact O-N 2.94Å
186N26.5Very low24.9Very low149 Ų149160.9 Ų160.980%0.79780%0.796SS**  trans-90.7121.6158.7-86.2-17.4000108.9I184I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 3.36Å
187K23.3Very low25.2Very low194 Ų194157 Ų15784%0.84379%0.785SS**SBendtrans-55.6147.5-170-76170.8173.2170.70113.5
188N23.9Very low25.7Very low145 Ų145158 Ų15878%0.77579%0.791SS**  trans7582.5160.7-55.2-12.1000115.7
189N24.9Very low25.8Very low144 Ų144155.1 Ų155.177%0.7779%0.785SS**  -153.2109.6128.3-89.4-30.1000109F191N189-F191 VanDerWaalsContact C-N 3.29Å; N189-F191 HydrophobicContact CB-CD2 4.22Å; N189-F191 HydrophobicContact CB-CE2 4.47Å; N189-F191 PolarHBondContact O-N 3.47Å
190Q22.2Very low26Very low199 Ų199154.2 Ų154.293%0.9379%0.792SS**  trans-63.489.6167.1-77.5177.8-2600108.7
191F28.6Very low26.3Very low169 Ų169156 Ų15674%0.74180%0.796SS**  trans-102.992.3155.8-83.5-77000107.7N189 N193N189-F191 VanDerWaalsContact C-N 3.29Å; N189-F191 HydrophobicContact CB-CD2 4.22Å; N189-F191 HydrophobicContact CB-CE2 4.47Å; N189-F191 PolarHBondContact O-N 3.47Å; F191-N193 VanDerWaalsContact C-N 3.3Å; F191-N193 PolarHBondContact O-N 2.87Å
192N23.1Very low26.6Very low156 Ų156157.3 Ų157.383%0.83480%0.802SS**  trans-54100.4153.8-91.3-14000107.3
193N26.4Very low27.1Very low144 Ų144159 Ų15977%0.7780%0.803SS**  trans-141.283.3158.5-98.5-16.2000108F191 N195F191-N193 VanDerWaalsContact C-N 3.3Å; F191-N193 PolarHBondContact O-N 2.87Å; N193-N195 PolarHBondContact O-N 3.25Å; N193-N195 VanDerWaalsContact O-N 3.11Å
194N25.1Very low27.3Very low153 Ų153160.8 Ų160.882%0.81881%0.807SS**  trans-56.6103.2149.9-77.7-22.9000107.4
195N27.9Very low27.5Very low137 Ų137158 Ų15873%0.73379%0.793SS**  trans-179.3110.9142.6-87.7-20000106.9N193 N197N193-N195 PolarHBondContact O-N 3.25Å; N193-N195 VanDerWaalsContact O-N 3.11Å; N195-N197 PolarHBondContact O-N 3.16Å
196N30.5Very low28Very low158 Ų158154.6 Ų154.685%0.84578%0.778SS**  trans-69.249.3178.5-72.8-26.8000112.3N198N196-N198 PolarHBondContact O-N 2.9Å
197N30.6Very low28.3Very low119 Ų119155.2 Ų155.264%0.63678%0.776SS**  trans-8799.3166.1-70.9-1.4000106N195 D199N195-N197 PolarHBondContact O-N 3.16Å; N197-D199 PolarHBondContact O-N 3.25Å
198N32.2Very low29Very low150 Ų150151.8 Ų151.880%0.80277%0.767SS**  trans-66.652.8170.8-69-30.2000110.6N196 L200N196-N198 PolarHBondContact O-N 2.9Å; N198-L200 PolarHBondContact O-N 3.2Å
199D27.6Very low29.5Very low129 Ų129149.5 Ų149.569%0.6975%0.751SS**  trans-63.9111.5169.1-72.7-17.5000106.2N197 Q201N197-D199 PolarHBondContact O-N 3.25Å; D199-Q201 PolarHBondContact O-N 3.05Å
200L29.2Very low30Very low175 Ų175146.8 Ų146.892%0.91674%0.736SS**  trans-49.3102.4176.4-76.7151.7000108.7N198 L202N198-L200 PolarHBondContact O-N 3.2Å; L200-L202 PolarHBondContact O-N 3.5Å; L200-L202 VanDerWaalsContact O-N 3.1Å
201Q27.1Very low30.6Very low180 Ų180141.4 Ų141.484%0.84171%0.713SS**  trans-66.7113.1170.6-68.4-174.19.400107.2D199 Y203D199-Q201 PolarHBondContact O-N 3.05Å; Q201-Y203 PolarHBondContact O-N 3.08Å; Q201-Y203 VanDerWaalsContact O-N 3.14Å
202L31.8Very low31Very low172 Ų172138.9 Ų138.990%0.90171%0.707SS**  trans-58.9114.7175-166.676.1000107.6L200 E204L200-L202 PolarHBondContact O-N 3.5Å; L200-L202 VanDerWaalsContact O-N 3.1Å; L202-E204 PolarHBondContact O-N 3.38Å
203Y33.2Very low31.5Very low215 Ų215132.5 Ų132.584%0.84368%0.675SS**PPolyproline II helixtrans-57.7127.7176.7-75.3-91.3000109.6Q201 L205Q201-Y203 PolarHBondContact O-N 3.08Å; Q201-Y203 VanDerWaalsContact O-N 3.14Å; Y203-L205 PolarHBondContact O-N 2.83Å
204E30.5Very low32.1Very low187 Ų187133.2 Ų133.287%0.87467%0.673SS**PPolyproline II helixtrans-63.6120.7169.3-170.3170.2-166.300108L202L202-E204 PolarHBondContact O-N 3.38Å
205L30.8Very low32.6Very low88 Ų88132 Ų13246%0.46167%0.666SS.*PPolyproline II helixtrans-64.7138.3-179.3-67.2174.3000109.4Y203 E209 L210Y203-L205 PolarHBondContact O-N 2.83Å; L205-E209 HydrophobicContact CB-CB 4.09Å; L205-E209 HydrophobicContact CD2-CB 4.02Å; L205-L210 HydrophobicContact CD1-CD1 4.43Å
206T33.3Very low33Very low84 Ų84127.7 Ų127.752%0.51564%0.643SS.*PPolyproline II helixtrans-65.5153.7168.457.70000109.8N208 E209 L210T206-N208 PolarHBondContact O-N 2.88Å; T206-E209 PolarHBondContact N-OE2 3.09Å; T206-E209 WeakPolarHBondContact O-CA 3.48Å; T206-E209 WeakPolarHBondContact O-CB 3.48Å; T206-E209 PolarHBondContact O-N 3Å; T206-E209 VanDerWaalsContact OG1-CD 3.25Å; T206-E209 VanDerWaalsContact OG1-CG 3.32Å; T206-E209 WeakPolarHBondContact OG1-CG 3.46Å; T206-E209 PolarHBondContact OG1-OE2 3.49Å; T206-L210 PolarHBondContact O-N 3.42Å
207E31.8Very low33.4Very low162 Ų162125.6 Ų125.676%0.75764%0.638SS**Hα-helixtrans-52.6-36.1-173.9-149.6169.2-156.800112.7L210 I211E207-L210 PolarHBondContact O-N 3.41Å; E207-I211 WeakPolarHBondContact O-CD1 3.36Å; E207-I211 VanDerWaalsContact O-CG1 3.29Å; E207-I211 WeakPolarHBondContact O-CG1 3.37Å; E207-I211 PolarHBondContact O-N 3.17Å; E207-I211 VanDerWaalsContact O-N 3.15Å
208N37.4Very low33.5Very low122 Ų122130 Ų13065%0.65265%0.646SS**Hα-helixtrans-68.6-37.3175.1-66.7-25.6000113.3T206 L212T206-N208 PolarHBondContact O-N 2.88Å; N208-L212 WeakPolarHBondContact O-CG 3.23Å; N208-L212 PolarHBondContact O-N 3.3Å; N208-L212 VanDerWaalsContact O-N 3.15Å
209E34.7Very low33.6Very low96 Ų96127 Ų12745%0.44963%0.629SS.*Hα-helixtrans-74-32.1177.3-67.3171.2142.600111.7L205 T206 L212 S213L205-E209 HydrophobicContact CB-CB 4.09Å; L205-E209 HydrophobicContact CD2-CB 4.02Å; T206-E209 PolarHBondContact N-OE2 3.09Å; T206-E209 WeakPolarHBondContact O-CA 3.48Å; T206-E209 WeakPolarHBondContact O-CB 3.48Å; T206-E209 PolarHBondContact O-N 3Å; T206-E209 VanDerWaalsContact OG1-CD 3.25Å; T206-E209 VanDerWaalsContact OG1-CG 3.32Å; T206-E209 WeakPolarHBondContact OG1-CG 3.46Å; T206-E209 PolarHBondContact OG1-OE2 3.49Å; E209-L212 PolarHBondContact O-N 3.48Å; E209-S213 WeakPolarHBondContact O-CB 3.42Å; E209-S213 PolarHBondContact O-N 3.08Å
210L36.5Very low33.9Very low87 Ų87126.3 Ų126.346%0.45563%0.626SS.*Hα-helixtrans-61.9-47.5171.7-169.678.4000110.7L205 T206 E207 L212 S213 E214L205-L210 HydrophobicContact CD1-CD1 4.43Å; T206-L210 PolarHBondContact O-N 3.42Å; E207-L210 PolarHBondContact O-N 3.41Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 3.01Å; L210-S213 WeakPolarHBondContact CA-OG 3.29Å; L210-S213 WeakPolarHBondContact O-CA 3.49Å; L210-S213 WeakPolarHBondContact O-CB 3.48Å; L210-S213 PolarHBondContact O-N 3.36Å; L210-S213 PolarHBondContact O-OG 3.27Å; L210-E214 PolarHBondContact O-N 3.33Å
211I35.4Very low34Very low87 Ų87121.9 Ų121.945%0.44661%0.606SS.*Hα-helixtrans-59.9-42.1176.9-66.1163.2000110.7E207 S213 E214 L215E207-I211 WeakPolarHBondContact O-CD1 3.36Å; E207-I211 VanDerWaalsContact O-CG1 3.29Å; E207-I211 WeakPolarHBondContact O-CG1 3.37Å; E207-I211 PolarHBondContact O-N 3.17Å; E207-I211 VanDerWaalsContact O-N 3.15Å; I211-S213 VanDerWaalsContact C-N 3.29Å; I211-S213 PolarHBondContact O-N 3.38Å; I211-E214 PolarHBondContact O-N 3.4Å; I211-L215 HydrophobicContact CG2-CD1 4.23Å; I211-L215 WeakPolarHBondContact O-CG 3.29Å; I211-L215 PolarHBondContact O-N 2.96Å; I211-L215 VanDerWaalsContact O-N 3.14Å
212L36.4Very low34.4Very low115 Ų115119.8 Ų119.860%0.60260%0.6SS**Hα-helixtrans-66.5-31.3176.2-69.6172.1000112.7N208 E209 L210 L215 D216N208-L212 WeakPolarHBondContact O-CG 3.23Å; N208-L212 PolarHBondContact O-N 3.3Å; N208-L212 VanDerWaalsContact O-N 3.15Å; E209-L212 PolarHBondContact O-N 3.48Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 3.01Å; L212-L215 PolarHBondContact O-N 3.31Å; L212-D216 PolarHBondContact O-N 3.44Å; L212-D216 VanDerWaalsContact O-N 3.17Å
213S32.4Very low34.4Very low23 Ų23118.9 Ų118.916%0.16160%0.595CS.*Hα-helixtrans-69.3-34.4174.874.70000112.8E209 L210 I211 L215 L219E209-S213 WeakPolarHBondContact O-CB 3.42Å; E209-S213 PolarHBondContact O-N 3.08Å; L210-S213 WeakPolarHBondContact CA-OG 3.29Å; L210-S213 WeakPolarHBondContact O-CA 3.49Å; L210-S213 WeakPolarHBondContact O-CB 3.48Å; L210-S213 PolarHBondContact O-N 3.36Å; L210-S213 PolarHBondContact O-OG 3.27Å; I211-S213 VanDerWaalsContact C-N 3.29Å; I211-S213 PolarHBondContact O-N 3.38Å; S213-L215 VanDerWaalsContact C-N 3.33Å; S213-L219 WeakPolarHBondContact O-CB 3.19Å
214E39.5Very low34.2Very low159 Ų159111.2 Ų111.274%0.74357%0.574SS**Hα-helixtrans-70.5-29.3172.6-72.8-173.9167.300112.4L210 I211L210-E214 PolarHBondContact O-N 3.33Å; I211-E214 PolarHBondContact O-N 3.4Å
215L35.3Very low34.2Very low127 Ų127110.2 Ų110.267%0.66557%0.574SS**Hα-helixtrans-82-14.3178.2-67.5174.8000114.1I211 L212 S213 P217I211-L215 HydrophobicContact CG2-CD1 4.23Å; I211-L215 WeakPolarHBondContact O-CG 3.29Å; I211-L215 PolarHBondContact O-N 2.96Å; I211-L215 VanDerWaalsContact O-N 3.14Å; L212-L215 PolarHBondContact O-N 3.31Å; S213-L215 VanDerWaalsContact C-N 3.33Å; L215-P217 WeakPolarHBondContact O-CD 3.08Å
216D36.7Very low34.2Very low47 Ų47111.8 Ų111.825%0.25158%0.582SS.*  trans-88.4108.3173.5-167.5-12.7000109.8L212 R218 L219L212-D216 PolarHBondContact O-N 3.44Å; L212-D216 VanDerWaalsContact O-N 3.17Å; D216-R218 PolarHBondContact O-N 3.06Å; D216-R218 WeakPolarHBondContact OD1-CB 3.35Å; D216-R218 PolarHBondContact OD1-N 3.48Å; D216-R218 IonicContact OD1-NE 3.44Å; D216-R218 PolarHBondContact OD1-NE 3.12Å; D216-R218 IonicContact OD2-NE 3.96Å; D216-L219 HydrophobicContact CB-CB 4.31Å; D216-L219 HydrophobicContact CB-CD1 4.12Å; D216-L219 HydrophobicContact CB-CG 4.45Å; D216-L219 WeakPolarHBondContact O-CA 3.27Å; D216-L219 PolarHBondContact O-N 3.08Å
217P39.1Very low33.9Very low114 Ų114116.7 Ų116.774%0.7460%0.596SS**G310 helixtrans-61.5-15178.822.8-32000113.5L215 L219 N220L215-P217 WeakPolarHBondContact O-CD 3.08Å; P217-L219 VanDerWaalsContact C-N 3.3Å; P217-N220 WeakPolarHBondContact O-CB 3.01Å; P217-N220 PolarHBondContact O-N 2.83Å
218R33.2Very low33.6Very low211 Ų211118.4 Ų118.480%0.79660%0.601SS**G310 helixtrans-75.1-21.2171.6-68.3178.4-86-168.7-11.3113.2D216 N220D216-R218 PolarHBondContact O-N 3.06Å; D216-R218 WeakPolarHBondContact OD1-CB 3.35Å; D216-R218 PolarHBondContact OD1-N 3.48Å; D216-R218 IonicContact OD1-NE 3.44Å; D216-R218 PolarHBondContact OD1-NE 3.12Å; D216-R218 IonicContact OD2-NE 3.96Å; R218-N220 VanDerWaalsContact C-N 3.3Å
219L34.4Very low33.1Very low87 Ų87119.5 Ų119.546%0.45561%0.605SS.*G310 helixtrans-96.330.6172.7-74.5165.6000110.6S213 D216 P217 V221S213-L219 WeakPolarHBondContact O-CB 3.19Å; D216-L219 HydrophobicContact CB-CB 4.31Å; D216-L219 HydrophobicContact CB-CD1 4.12Å; D216-L219 HydrophobicContact CB-CG 4.45Å; D216-L219 WeakPolarHBondContact O-CA 3.27Å; D216-L219 PolarHBondContact O-N 3.08Å; P217-L219 VanDerWaalsContact C-N 3.3Å; L219-V221 WeakPolarHBondContact O-CG2 3.44Å; L219-V221 PolarHBondContact O-N 3.15Å
220N32.5Very low32.8Very low115 Ų115121.7 Ų121.762%0.61562%0.62SS**  trans-66.384169.2-158.82.9000109P217 R218 L222P217-N220 WeakPolarHBondContact O-CB 3.01Å; P217-N220 PolarHBondContact O-N 2.83Å; R218-N220 VanDerWaalsContact C-N 3.3Å; N220-L222 PolarHBondContact O-N 3.3Å
221V32.4Very low32.3Very low82 Ų82127.5 Ų127.550%0.49764%0.641SS.*  trans-74.854.3-176-169.40000109.2L219 S224 I226L219-V221 WeakPolarHBondContact O-CG2 3.44Å; L219-V221 PolarHBondContact O-N 3.15Å; V221-S224 VanDerWaalsContact CG1-CB 3.49Å; V221-S224 WeakPolarHBondContact CG1-OG 3.39Å; V221-I226 HydrophobicContact CG1-CD1 4.05Å
222L35.7Very low31.9Very low136 Ų136129.8 Ų129.871%0.71265%0.653SS**SBendtrans-82.7-20.7173.7-78.8170.2000112.2N220N220-L222 PolarHBondContact O-N 3.3Å
223N31.2Very low31.5Very low152 Ų152132.4 Ų132.481%0.81366%0.66SS**SBendtrans-117.47.8-175.5-77-7.3000115.3N225N223-N225 PolarHBondContact O-N 2.77Å
224S29.9Very low31.3Very low55 Ų55141.4 Ų141.439%0.38570%0.697SS.*  trans-73.5120.216975.10000108.2V221 I226V221-S224 VanDerWaalsContact CG1-CB 3.49Å; V221-S224 WeakPolarHBondContact CG1-OG 3.39Å; S224-I226 PolarHBondContact O-N 3.03Å; S224-I226 WeakPolarHBondContact OG-CD1 3.48Å; S224-I226 WeakPolarHBondContact OG-CG1 3.38Å
225N29.1Very low30.6Very low166 Ų166139.2 Ų139.289%0.88869%0.689SS**  trans-6648.8163.4-73.7-37.7000110.7N223 K227N223-N225 PolarHBondContact O-N 2.77Å; N225-K227 VanDerWaalsContact C-N 3.26Å; N225-K227 PolarHBondContact O-N 2.96Å
226I30.9Very low30.3Very low120 Ų120137.9 Ų137.962%0.61568%0.682SS**  trans-61.3101.6164.7-70.4167.3000104V221 S224 K228V221-I226 HydrophobicContact CG1-CD1 4.05Å; S224-I226 PolarHBondContact O-N 3.03Å; S224-I226 WeakPolarHBondContact OG-CD1 3.48Å; S224-I226 WeakPolarHBondContact OG-CG1 3.38Å; I226-K228 PolarHBondContact O-N 3.34Å
227K27.1Very low29.9Very low187 Ų187142.3 Ų142.381%0.81371%0.705SS**  trans-39.2115.4169.8-80174.7175.1174.10106.1N225 I229N225-K227 VanDerWaalsContact C-N 3.26Å; N225-K227 PolarHBondContact O-N 2.96Å; K227-I229 PolarHBondContact O-N 3.39Å
228K26Very low29.3Very low198 Ų198143.6 Ų143.686%0.86171%0.706SS**  trans-50.291.4172.7-75.7173.6177.3170.70107.1I226 N230I226-K228 PolarHBondContact O-N 3.34Å; K228-N230 PolarHBondContact O-N 3.45Å
229I27.9Very low29.1Very low146 Ų146140.9 Ų140.975%0.74970%0.702SS**  trans-59.2115.9169.6-68.6171.6000102.9K227 K231K227-I229 PolarHBondContact O-N 3.39Å; I229-K231 PolarHBondContact O-N 3.03Å
230N26.4Very low28.9Very low142 Ų142146 Ų14676%0.75972%0.721SS**  trans-30.2121-170.3-73.3-40.5000110.6K228 I232K228-N230 PolarHBondContact O-N 3.45Å; N230-I232 WeakPolarHBondContact O-CG1 3.4Å; N230-I232 PolarHBondContact O-N 3.05Å
231K26.7Very low28.7Very low208 Ų208146.9 Ų146.990%0.90472%0.724SS**  trans-28.883.9170.5-71.4174.1174.1178.50110.4I229 K233I229-K231 PolarHBondContact O-N 3.03Å; K231-K233 PolarHBondContact O-N 3.26Å
232I27.9Very low28.3Very low136 Ų136149.3 Ų149.370%0.69773%0.734SS**  trans-63.9113.4165-65.6177.7000100.4N230 F234N230-I232 WeakPolarHBondContact O-CG1 3.4Å; N230-I232 PolarHBondContact O-N 3.05Å; I232-F234 VanDerWaalsContact C-N 3.31Å; I232-F234 WeakPolarHBondContact O-CD2 3.49Å; I232-F234 PolarHBondContact O-N 3.14Å
233K26.6Very low28.2Very low170 Ų170152 Ų15274%0.73974%0.74SS**  trans-38.796.7-178.3-74.3173.3170.3178.80109.2K231 I235K231-K233 PolarHBondContact O-N 3.26Å; K233-I235 HydrophobicContact CB-CB 4.06Å; K233-I235 HydrophobicContact CB-CD1 3.91Å; K233-I235 HydrophobicContact CB-CG1 3.79Å; K233-I235 HydrophobicContact CD-CD1 3.9Å; K233-I235 HydrophobicContact CG-CD1 3.66Å; K233-I235 HydrophobicContact CG-CG1 4.12Å; K233-I235 PolarHBondContact O-N 3.16Å
234F28.4Very low28.2Very low212 Ų212151.7 Ų151.793%0.9374%0.738SS**  trans-69.234.9158.7-85.6-85.4000109.4I232 D236I232-F234 VanDerWaalsContact C-N 3.31Å; I232-F234 WeakPolarHBondContact O-CD2 3.49Å; I232-F234 PolarHBondContact O-N 3.14Å; F234-D236 PolarHBondContact O-N 2.94Å
235I24.8Very low28.1Very low113 Ų113156.4 Ų156.458%0.57976%0.759SS**  trans-83109.2178.1-62.1-179.6000105K233K233-I235 HydrophobicContact CB-CB 4.06Å; K233-I235 HydrophobicContact CB-CD1 3.91Å; K233-I235 HydrophobicContact CB-CG1 3.79Å; K233-I235 HydrophobicContact CD-CD1 3.9Å; K233-I235 HydrophobicContact CG-CD1 3.66Å; K233-I235 HydrophobicContact CG-CG1 4.12Å; K233-I235 PolarHBondContact O-N 3.16Å
236D29.3Very low28Very low98 Ų98157.2 Ų157.252%0.52476%0.758SS.*SBendtrans8725.1155.2-59.5-20.7000121.2F234F234-D236 PolarHBondContact O-N 2.94Å
237L28.1Very low27.8Very low140 Ų140159.2 Ų159.273%0.73377%0.768SS**SBendtrans-80.2-28.6156.5-117101.2000113Q239 K240L237-Q239 VanDerWaalsContact C-N 3.29Å; L237-Q239 PolarHBondContact O-N 2.97Å; L237-K240 PolarHBondContact O-N 2.8Å
238N27.7Very low27.8Very low142 Ų142157.5 Ų157.576%0.75977%0.767SS**THydrogen-bonded Turntrans-74.9-12.1-177.9-73.4-8.8000114.5
239Q29.2Very low27.8Very low154 Ų154153.5 Ų153.572%0.7276%0.762SS**THydrogen-bonded Turntrans-86.8-14.4175.8-72.4-16813.100113.8L237L237-Q239 VanDerWaalsContact C-N 3.29Å; L237-Q239 PolarHBondContact O-N 2.97Å
240K29.9Very low27.8Very low195 Ų195153.9 Ų153.985%0.84876%0.764SS**THydrogen-bonded Turntrans-97.5-12.9177.3-108.1178.6178.9177.90114.7L237 N242L237-K240 PolarHBondContact O-N 2.8Å; K240-N242 PolarHBondContact O-N 3.29Å
241I27.1Very low27.8Very low132 Ų132158.2 Ų158.268%0.67777%0.771SS**SBendtrans-93.363.3174.1-49.4173.6000108.1
242N25.2Very low27.6Very low134 Ų134156.7 Ų156.772%0.71777%0.767SS**  trans-142.392.2174.9-137.9-3.8000108.2K240K240-N242 PolarHBondContact O-N 3.29Å
243K33.1Very low27.5Very low192 Ų192154.3 Ų154.384%0.83576%0.763SS**SBend-176.3-23.7122.7-99.6174.3-177.1-175.60115.5
244N30.4Very low27.6Very low145 Ų145151.9 Ų151.978%0.77576%0.756SS**SBendtrans-135.3100.7-176.9-59.6-16.7000109.2
245N28Very low27.8Very low154 Ų154149.4 Ų149.482%0.82475%0.747SS**SBendtrans156.7105.7140.6-74.3-7.6000109.7
246E27.9Very low27.9Very low183 Ų183152.6 Ų152.686%0.85576%0.76SS**  trans31.698.1143-62.8179.1174.200116.3L248E246-L248 PolarHBondContact O-N 3.05Å; E246-L248 VanDerWaalsContact O-N 3.07Å
247I26.9Very low27.9Very low162 Ų162153 Ų15383%0.83177%0.766SS**  trans-47.6112.8167.7-62.4163.1000108.5
248L27Very low27.9Very low151 Ų151152.2 Ų152.279%0.79176%0.761SS**  trans-57.5127.4168.7-84.6100.1000108.2E246 I250E246-L248 PolarHBondContact O-N 3.05Å; E246-L248 VanDerWaalsContact O-N 3.07Å; L248-I250 PolarHBondContact O-N 3.49Å
249P25.6Very low27.7Very low115 Ų115155.2 Ų155.275%0.74776%0.763SS**  trans-64.1114.2-179.523.2-30000109.4Y251P249-Y251 PolarHBondContact O-N 3.13Å
250I27.6Very low27.6Very low154 Ų154156.9 Ų156.979%0.7977%0.768SS**  trans-64.8116.9173-60.6171.2000107.2L248 Q252L248-I250 PolarHBondContact O-N 3.49Å; I250-Q252 PolarHBondContact O-N 3.21Å; I250-Q252 VanDerWaalsContact O-N 3.16Å
251Y26.2Very low27.6Very low232 Ų232154.4 Ų154.491%0.9176%0.764SS**  trans-58.1112174.6-106.5-101.4000110P249P249-Y251 PolarHBondContact O-N 3.13Å
252Q23.8Very low27.7Very low176 Ų176156 Ų15682%0.82277%0.774SS**  trans-94.9137.3162.4-96.9-179.7-10.700109.6I250I250-Q252 PolarHBondContact O-N 3.21Å; I250-Q252 VanDerWaalsContact O-N 3.16Å
253S24.6Very low27.9Very low87 Ų87156.5 Ų156.561%0.60878%0.776SS**  trans-65.1133.8178.746.30000111.6E255 H256S253-E255 PolarHBondContact O-N 3.32Å; S253-E255 VanDerWaalsContact O-N 3.08Å; S253-H256 PolarHBondContact O-N 2.74Å
254I29.6Very low27.6Very low119 Ų119152 Ų15261%0.6177%0.769SS**G310 helixtrans-63.2-17.1-173-66165.6000113.2H256 T257 I258I254-H256 PolarHBondContact O-N 3.44Å; I254-H256 VanDerWaalsContact O-N 3.12Å; I254-T257 WeakPolarHBondContact CA-OG1 3.39Å; I254-T257 PolarHBondContact O-N 3.42Å; I254-T257 PolarHBondContact O-OG1 3.25Å; I254-I258 HydrophobicContact CG2-CD1 3.59Å; I254-I258 HydrophobicContact CG2-CG1 3.97Å
255E30.9Very low27.7Very low159 Ų159151.7 Ų151.774%0.74377%0.774SS**G310 helixtrans-59.9-26-177.9-64.7-174.517600113.1S253S253-E255 PolarHBondContact O-N 3.32Å; S253-E255 VanDerWaalsContact O-N 3.08Å
256H27Very low27.6Very low180 Ų180149.1 Ų149.183%0.83377%0.769SS**G310 helixtrans-87.3-13175.7-90.5-130.2000114.6S253 I254S253-H256 PolarHBondContact O-N 2.74Å; I254-H256 PolarHBondContact O-N 3.44Å; I254-H256 VanDerWaalsContact O-N 3.12Å
257T29.4Very low27.6Very low107 Ų107146.5 Ų146.566%0.65677%0.765SS**THydrogen-bonded Turntrans-92.4-13.9-175.834.20000115.1I254I254-T257 WeakPolarHBondContact CA-OG1 3.39Å; I254-T257 PolarHBondContact O-N 3.42Å; I254-T257 PolarHBondContact O-OG1 3.25Å
258I27.9Very low27.5Very low123 Ų123147.5 Ų147.563%0.63177%0.771SS**SBendtrans-92.3-7.5-171.2-59.9179.2000113.7I254I254-I258 HydrophobicContact CG2-CD1 3.59Å; I254-I258 HydrophobicContact CG2-CG1 3.97Å
259Y25.3Very low27.4Very low206 Ų206144.7 Ų144.781%0.80876%0.764SS**SBendtrans-109.847.7-175.1-71.7-74.9000115
260K27Very low27.5Very low188 Ų188147.9 Ų147.982%0.81777%0.766SS**  trans-15466.8158.7-72.7-157.6179.1-1770111.7
261D29.7Very low27.4Very low143 Ų143146.9 Ų146.977%0.76577%0.771SS**  trans-124.894.8156.8-81.6-31.4000108L263D261-L263 HydrophobicContact CB-CD1 4.24Å; D261-L263 PolarHBondContact O-N 3.41Å
262D28.2Very low27.4Very low167 Ų167143.3 Ų143.389%0.89377%0.767SS**  trans-6380.6167.6-69.3-44.4000109.1
263L29.7Very low27.6Very low144 Ų144141.1 Ų141.175%0.75477%0.766SS**  trans-115.597.6172.5-82.9154.5000109.1D261D261-L263 HydrophobicContact CB-CD1 4.24Å; D261-L263 PolarHBondContact O-N 3.41Å
264S27.6Very low27.7Very low98 Ų98148.2 Ų148.269%0.68578%0.78SS**  trans-30.8143.117146.40000115.8S266S264-S266 PolarHBondContact O-N 3.28Å; S264-S266 VanDerWaalsContact O-N 3.14Å
265P31.2Very low27.7Very low137 Ų137151 Ų15189%0.8979%0.79SS**  trans-79.9100.4-171.632.6-32.7000111
266S26.9Very low27.4Very low100 Ų100151.2 Ų151.270%0.69980%0.795SS**  trans-115.2111.8163.761.60000110.9S264S264-S266 PolarHBondContact O-N 3.28Å; S264-S266 VanDerWaalsContact O-N 3.14Å
267T28.4Very low27.6Very low128 Ų128149.5 Ų149.579%0.78579%0.788SS**  trans71.380.2155.645.60000118.3S269T267-S269 PolarHBondContact O-N 3.46Å; T267-S269 VanDerWaalsContact O-N 3.12Å
268I24.8Very low27.6Very low184 Ų184151.4 Ų151.494%0.94479%0.789SS**  trans-44.8105.7135.8-63.8161000108.7
269S24.8Very low27.5Very low92 Ų92151.8 Ų151.864%0.64379%0.792SS**  trans-162.8132.7159.5-163.60000111.4T267T267-S269 PolarHBondContact O-N 3.46Å; T267-S269 VanDerWaalsContact O-N 3.12Å
270K27.9Very low27.6Very low182 Ų182149.5 Ų149.579%0.79179%0.789SS**  trans87.945.1169.6-51.4-179.6-177.1174.30117.4N272K270-N272 VanDerWaalsContact C-N 3.29Å; K270-N272 PolarHBondContact O-N 3.42Å
271C23.9Very low27.7Very low132 Ų132149.6 Ų149.689%0.89278%0.784SS**  trans-75.783.6144.8-156.60000108
272N26.7Very low27.5Very low158 Ų158150 Ų15085%0.84578%0.782SS**  trans-15712.9168.9-108.1-7.4000117.4K270K270-N272 VanDerWaalsContact C-N 3.29Å; K270-N272 PolarHBondContact O-N 3.42Å
273T27.5Very low27.4Very low130 Ų130148.2 Ų148.280%0.79877%0.772SS**  trans-102.61117913.50000115.9
274R28Very low27.3Very low236 Ų236148.2 Ų148.289%0.89177%0.768SS**SBendtrans-93.2-1.5-177.4-80.7-168.4-177.2-1602.5117.2
275Q28.9Very low27.2Very low178 Ų178148 Ų14883%0.83277%0.765SS**SBendtrans-92.8-12-178.6-72.3-167.21.100116.1
276L25.3Very low26.9Very low162 Ų162151.9 Ų151.985%0.84876%0.762SS**SBendtrans-86.6-13.1-178.4-95154.7000115.5
277Q30.7Very low27Very low144 Ų144154 Ų15467%0.67376%0.761SS**SBendtrans-91.5-7.4-178.1-74.1-172.1800115.2
278Q28.6Very low26.9Very low147 Ų147153.9 Ų153.969%0.68775%0.753SS**Hα-helixtrans-78.6-30.1-177.7-72.4-171.9-9.600113.4Q280 R281Q278-Q280 PolarHBondContact O-N 3.4Å; Q278-R281 PolarHBondContact O-N 3.15Å
279N26.6Very low26.9Very low131 Ų131151.5 Ų151.570%0.70174%0.743SS**Hα-helixtrans-74.6-20.6-177.7-80-17.4000114.4
280Q27.7Very low27.1Very low158 Ų158155.2 Ų155.274%0.73875%0.749SS**Hα-helixtrans-80.6-21.1177.5-71.5-171.4-2.800113.7Q278Q278-Q280 PolarHBondContact O-N 3.4Å
281R27.8Very low27.1Very low190 Ų190153.6 Ų153.672%0.71774%0.743SS**Hα-helixtrans-77.4-24.9-177.3-69.3-166.1-168.4-152.52.8114Q278 N283 H284Q278-R281 PolarHBondContact O-N 3.15Å; R281-N283 VanDerWaalsContact C-N 3.33Å; R281-N283 PolarHBondContact O-N 2.66Å; R281-H284 PolarHBondContact O-N 3.05Å
282Q26.7Very low27.2Very low153 Ų153155.9 Ų155.972%0.71574%0.74SS**Hα-helixtrans-71.1-26.6-178.3-71.8-170.5-6.200113.3
283N25.9Very low27.2Very low128 Ų128156.6 Ų156.668%0.68474%0.738SS**Hα-helixtrans-78.9-21.1178.9-75.7-16.6000113.9R281R281-N283 VanDerWaalsContact C-N 3.33Å; R281-N283 PolarHBondContact O-N 2.66Å
284H26.8Very low27.1Very low144 Ų144156.9 Ų156.967%0.66773%0.734SS**Hα-helixtrans-79.9-26.5-179-92.950.8000113.8R281 R286R281-H284 PolarHBondContact O-N 3.05Å; H284-R286 VanDerWaalsContact C-N 3.34Å; H284-R286 PolarHBondContact O-N 3.48Å
285C26.5Very low27Very low94 Ų94154.2 Ų154.264%0.63573%0.732SS**Hα-helixtrans-71.9-26.4-179.5-66.30000113.2Q287 M288C285-Q287 VanDerWaalsContact C-N 3.33Å; C285-Q287 PolarHBondContact O-N 3.41Å; C285-M288 PolarHBondContact O-N 3.46Å
286R24.5Very low27Very low218 Ų218154 Ų15482%0.82374%0.736SS**THydrogen-bonded Turntrans-74.1-16.9-179.3-88.7-170.6175.5-176-0.2114.7H284H284-R286 VanDerWaalsContact C-N 3.34Å; H284-R286 PolarHBondContact O-N 3.48Å
287Q28.7Very low26.9Very low145 Ų145154.5 Ų154.568%0.67874%0.736SS**THydrogen-bonded Turntrans-81.6-15.4175.9-84.3-176.7-12.300113.5C285C285-Q287 VanDerWaalsContact C-N 3.33Å; C285-Q287 PolarHBondContact O-N 3.41Å
288M26.4Very low26.7Very low126 Ų126154.8 Ų154.862%0.62174%0.742SS**G310 helixtrans-78.8-24.1-175.6-75.7-70.6-173.100113.8C285 H290 F291C285-M288 PolarHBondContact O-N 3.46Å; M288-H290 PolarHBondContact O-N 3.43Å; M288-H290 VanDerWaalsContact O-N 3.16Å; M288-F291 PolarHBondContact O-N 3.41Å
289D25.3Very low26.7Very low134 Ų134158.1 Ų158.172%0.71775%0.75SS**G310 helixtrans-68.5-13.6179.6-72.9-23.7000113.3
290H28Very low26.7Very low169 Ų169159.5 Ų159.578%0.78276%0.757SS**G310 helixtrans-86.3-11.1176.9-8412.1000114.9M288M288-H290 PolarHBondContact O-N 3.43Å; M288-H290 VanDerWaalsContact O-N 3.16Å
291F27.8Very low26.8Very low149 Ų149160.7 Ų160.765%0.65476%0.763SS**G310 helixtrans-95-1.1-176.1-91.6-81000115.1M288M288-F291 PolarHBondContact O-N 3.41Å
292H27.3Very low26.8Very low180 Ų180159.3 Ų159.383%0.83377%0.769SS**G310 helixtrans-89.28.1176.4-75.5-4.1000114.9
293Q26Very low26.7Very low173 Ų173155 Ų15581%0.80877%0.766SS**G310 helixtrans-108.311.2178-83.7-169.6-3.500116.1Q295Q293-Q295 PolarHBondContact O-N 3.45Å
294N26.7Very low26.7Very low135 Ų135160.8 Ų160.872%0.72278%0.778SS**  trans-81.394.8170-73.9-14.8000109.8L296N294-L296 PolarHBondContact O-N 3.39Å
295Q25.8Very low26.8Very low181 Ų181157.9 Ų157.985%0.84677%0.773SS**  trans-48.3133.1168.4-72.6178.3-12.100110.1Q293 M297Q293-Q295 PolarHBondContact O-N 3.45Å; Q295-M297 PolarHBondContact O-N 3.26Å
296L26.8Very low27Very low173 Ų173163.6 Ų163.691%0.90679%0.788SS**  trans-49102.1171.6-78.2140.3000109.6N294 D298N294-L296 PolarHBondContact O-N 3.39Å; L296-D298 PolarHBondContact O-N 3.08Å
297M23.8Very low27.3Very low173 Ų173161.3 Ų161.385%0.85279%0.786SS**  trans-73.7115.9171.8-83.1-75.1-146.500108.7Q295 Y299Q295-M297 PolarHBondContact O-N 3.26Å; M297-Y299 PolarHBondContact O-N 3.28Å
298D27.4Very low27.4Very low149 Ų149160.8 Ų160.880%0.79779%0.793SS**  trans-58.8124.8176.8-82.9-37.9000111.6L296 N300L296-D298 PolarHBondContact O-N 3.08Å; D298-N300 PolarHBondContact O-N 3.26Å
299Y27.7Very low27.6Very low218 Ų218161 Ų16186%0.85580%0.796SS**THydrogen-bonded Turntrans-70.923.1-170.1-107.7-93.9000116M297M297-Y299 PolarHBondContact O-N 3.28Å
300N28Very low27.8Very low159 Ų159159 Ų15985%0.8579%0.79SS**THydrogen-bonded Turntrans-106.78.6-175.6-78.5-20.5000115.4D298D298-N300 PolarHBondContact O-N 3.26Å
301Q28.3Very low28.3Very low183 Ų183155.5 Ų155.586%0.85579%0.785SS**  trans-119.99179.5-79.2-169.111.200117.2G303Q301-G303 VanDerWaalsContact C-N 3.27Å; Q301-G303 PolarHBondContact O-N 3.2Å
302L29.1Very low28.9Very low161 Ų161157 Ų15784%0.84379%0.791SS**  trans-9348.2171-85.5114.3000113.2
303G24.4Very low29.2Very low63 Ų63155.4 Ų155.465%0.64978%0.782SS**  trans-84.5116.6154.300000109Q301Q301-G303 VanDerWaalsContact C-N 3.27Å; Q301-G303 PolarHBondContact O-N 3.2Å
304R25.7Very low29.6Very low250 Ų250151.3 Ų151.394%0.94377%0.768SS**  trans74.184168.2-53.9175.5169-177.8-3.1116.5
305S29.6Very low30Very low82 Ų82149.1 Ų149.157%0.57376%0.76SS**  trans-135.5116.7134.360.70000109.5Q307S305-Q307 VanDerWaalsContact C-N 3.3Å; S305-Q307 PolarHBondContact O-N 3.4Å
306K29.6Very low30.4Very low215 Ų215143.6 Ų143.694%0.93575%0.745SS**  trans-65.691171.5-70.9175.4175.6179.90107T308K306-T308 PolarHBondContact O-N 3.31Å
307Q31.8Very low30.9Very low169 Ų169141.4 Ų141.479%0.7973%0.734SS**  trans-84.2111.3168.7-77-171.90.900108.8S305 I309S305-Q307 VanDerWaalsContact C-N 3.3Å; S305-Q307 PolarHBondContact O-N 3.4Å; Q307-I309 PolarHBondContact O-N 3.28Å
308T30.5Very low31.5Very low135 Ų135136.9 Ų136.983%0.82872%0.716SS**  trans-52.2113.7176.1-19.50000110K306K306-T308 PolarHBondContact O-N 3.31Å
309I30.1Very low31.7Very low130 Ų130135.1 Ų135.167%0.66771%0.706SS**  trans-68.3126.3175.4-60.8170000108Q307 S311Q307-I309 PolarHBondContact O-N 3.28Å; I309-S311 PolarHBondContact O-N 3.14Å
310P30Very low32Very low92 Ų92132.3 Ų132.360%0.59770%0.699SS**  trans-65.4129.4-179.323.5-30.6000111.1K312 F313P310-K312 PolarHBondContact O-N 3.35Å; P310-F313 PolarHBondContact O-N 2.91Å; P310-F313 VanDerWaalsContact O-N 3.14Å
311S37.7Very low32.4Very low96 Ų96128 Ų12867%0.67169%0.685SS**THydrogen-bonded Turntrans-54.5-17.5-169.357.10000116.3I309 F313 V314I309-S311 PolarHBondContact O-N 3.14Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.4Å; S311-V314 PolarHBondContact O-N 2.86Å
312K40.4Very low32.8Very low180 Ų180123.2 Ų123.278%0.78367%0.671SS**Hα-helixtrans-68-21.7177.1-74.5-173.5175.7-178.90114P310P310-K312 PolarHBondContact O-N 3.35Å
313F32.9Very low33.3Very low146 Ų146120 Ų12064%0.6466%0.662SS**Hα-helixtrans-83.6-19.2176.1-95-84.2000113.5P310 S311P310-F313 PolarHBondContact O-N 2.91Å; P310-F313 VanDerWaalsContact O-N 3.14Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.4Å
314V34.3Very low34.1Very low87 Ų87122 Ų12253%0.52766%0.661SS.*Hα-helixtrans-75.6-36.6-179.5-178.10000111S311 L317 V318S311-V314 PolarHBondContact O-N 2.86Å; V314-L317 PolarHBondContact O-N 3.08Å; V314-V318 WeakPolarHBondContact O-CG2 3.34Å; V314-V318 PolarHBondContact O-N 3.29Å
315T36.2Very low34.5Very low90 Ų90118.5 Ų118.555%0.55266%0.655SS**Hα-helixtrans-66.8-39.8177.719.30000112.9L317 V318 D319T315-L317 VanDerWaalsContact C-N 3.27Å; T315-L317 PolarHBondContact O-N 2.81Å; T315-V318 PolarHBondContact O-N 3.3Å; T315-D319 PolarHBondContact O-N 3.46Å; T315-D319 VanDerWaalsContact O-N 3.12Å
316A34.7Very low34.9Very low65 Ų65125.5 Ų125.554%0.53769%0.685SS.*Hα-helixtrans-65.7-29.3178.900000113.3
317L35.7Very low35.2Very low127 Ų127121 Ų12167%0.66567%0.672SS**Hα-helixtrans-79.7-31.1176.8-99.5149.8000112.8V314 T315 A321V314-L317 PolarHBondContact O-N 3.08Å; T315-L317 VanDerWaalsContact C-N 3.27Å; T315-L317 PolarHBondContact O-N 2.81Å; L317-A321 PolarHBondContact O-N 3.46Å
318V37Very low35.4Very low78 Ų78118.5 Ų118.547%0.47367%0.666SS.*Hα-helixtrans-73.8-39.2176.9175.60000111.4V314 T315 F320 A321 C322V314-V318 WeakPolarHBondContact O-CG2 3.34Å; V314-V318 PolarHBondContact O-N 3.29Å; T315-V318 PolarHBondContact O-N 3.3Å; V318-F320 VanDerWaalsContact C-N 3.31Å; V318-F320 PolarHBondContact O-N 3.36Å; V318-A321 PolarHBondContact O-N 3.12Å; V318-C322 PolarHBondContact O-N 3.14Å; V318-C322 VanDerWaalsContact O-N 3.08Å
319D31.6Very low35.6Very low111 Ų111117.6 Ų117.659%0.59466%0.657SS**Hα-helixtrans-68.3-31179.7-71.3-19.8000112.7T315 S323T315-D319 PolarHBondContact O-N 3.46Å; T315-D319 VanDerWaalsContact O-N 3.12Å; D319-S323 PolarHBondContact O-OG 3.15Å
320F35.4Very low36Very low160 Ų160116.8 Ų116.870%0.70266%0.657SS**Hα-helixtrans-74.7-34.3174.9-160.9-97.6000112.3V318 S323V318-F320 VanDerWaalsContact C-N 3.31Å; V318-F320 PolarHBondContact O-N 3.36Å; F320-S323 PolarHBondContact O-N 3.15Å
321A35.1Very low36.3Very low68 Ų68118.4 Ų118.456%0.56266%0.66SS**Hα-helixtrans-70.9-33176.300000113.1L317 V318 S323L317-A321 PolarHBondContact O-N 3.46Å; V318-A321 PolarHBondContact O-N 3.12Å; A321-S323 VanDerWaalsContact C-N 3.31Å; A321-S323 PolarHBondContact O-N 3.21Å
322C36.3Very low36.2Very low83 Ų83119.9 Ų119.956%0.56166%0.66SS**Hα-helixtrans-72.5-22.3176.4-72.70000113.4V318 V324V318-C322 PolarHBondContact O-N 3.14Å; V318-C322 VanDerWaalsContact O-N 3.08Å; C322-V324 VanDerWaalsContact C-N 3.29Å; C322-V324 PolarHBondContact O-N 3.12Å
323S39.3Very low35.9Very low92 Ų92115.6 Ų115.664%0.64365%0.651SS**THydrogen-bonded Turntrans-82.6-0.7-179-60.80000114.4D319 F320 A321D319-S323 PolarHBondContact O-OG 3.15Å; F320-S323 PolarHBondContact O-N 3.15Å; A321-S323 VanDerWaalsContact C-N 3.31Å; A321-S323 PolarHBondContact O-N 3.21Å
324V42.5Very low36.2Very low105 Ų105113.2 Ų113.264%0.63665%0.652SS**THydrogen-bonded Turntrans-105.92.9177.7-176.30000112.2C322C322-V324 VanDerWaalsContact C-N 3.29Å; C322-V324 PolarHBondContact O-N 3.12Å
325H34.5Very low36.3Very low178 Ų178115.4 Ų115.482%0.82466%0.662SS**  trans-129.626.6179.9-103.2-38.1000117.3
326L37.6Very low36.3Very low228 Ų228117.7 Ų117.7100%1.19467%0.672SS**  trans-123.60156.9-84.4159.3000108.3

Retrieved 326 of 326 residues in 82.9 ms (Link to these results)