A0A096MR98_PAPAN Loading...

Proprotein convertase subtilisin/kexin type 1 inhibitor

AlphaFold DB , UniProt , Accession A0A096MR98, Species PAPAN (Papio anubis, Olive baboon), Gene PCSK1N, Length 261 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
1M44.4Very low44.7Very low246 Ų246163.2 Ų163.2100%1.21287%0.866SS**  0103.80-75.7-165.6152.500108.2
2A46.3Very low45.2Very low96 Ų96158.2 Ų158.279%0.79386%0.864SS**  trans159.589.8157.500000108.3
3E36.9Very low45.8Very low201 Ų201149.8 Ų149.894%0.93984%0.838SS**  trans-140.3113.6152.5-70.9-162161.200108
4S37.2Very low46.8Very low100 Ų100142.9 Ų142.970%0.69982%0.816SS**  trans-78.7139.5180-560000110.7L6S4-L6 PolarHBondContact O-N 3.39Å
5P45.9Very low48Very low130 Ų130139 Ų13984%0.84480%0.796SS**  trans-87.789.716933.8-28000108.8
6L46.2Very low49.3Very low153 Ų153132.9 Ų132.980%0.80177%0.773SS**  trans-123.724.2175.8-81.7176.1000114S4S4-L6 PolarHBondContact O-N 3.39Å
7L48.4Very low50.5Low168 Ų168131.9 Ų131.988%0.8876%0.763SS**  trans-135.945.3178.6-81.4164000113.5
8W39.6Very low51.8Low271 Ų271130.3 Ų130.3100%1.02775%0.751SS**  trans-100.482.5155-119.341.8000108.9
9G41.7Very low53.1Low56 Ų56127.5 Ų127.558%0.57774%0.736SS**  trans-82.9164.1173.800000112.6
10P51.8Low54.2Low124 Ų124127.4 Ų127.481%0.80573%0.732SS**  trans-94116.9-143.134.3-29.8000111.6
11R53.1Low55.2Low250 Ų250126.5 Ų126.594%0.94372%0.724SS**SBendtrans-116.6-3.7173.1-77.2-160.8171.3-179.7-0.1116.3
12A51.5Low56.7Low103 Ų103118.7 Ų118.785%0.85169%0.687SS**SBendtrans-108.4-14.6179.500000115.3
13G51.8Low57.8Low50 Ų50119.5 Ų119.552%0.51568%0.677SS.*SBendtrans-96-15.9-17300000116.3L17G13-L17 PolarHBondContact O-N 3.25Å
14G61Low59.4Low52 Ų52112.3 Ų112.354%0.53666%0.657SS.*Hα-helixtrans-72.4-37.9-167.900000114.1L17 L18G14-L17 PolarHBondContact O-N 3.26Å; G14-L18 VanDerWaalsContact O-CB 3.28Å; G14-L18 WeakPolarHBondContact O-CB 3.36Å; G14-L18 PolarHBondContact O-N 3.18Å
15V63.6Low60.6Low85 Ų85114.3 Ų114.352%0.51566%0.659SS.*Hα-helixtrans-71.8-41.3-176.9-174.40000110.7L17 L18 V19V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 3Å; V15-L18 PolarHBondContact O-N 3.2Å; V15-V19 HydrophobicContact CG1-CG2 4.49Å; V15-V19 WeakPolarHBondContact O-CB 3.37Å; V15-V19 VanDerWaalsContact O-CG2 3.25Å; V15-V19 WeakPolarHBondContact O-CG2 3.36Å; V15-V19 PolarHBondContact O-N 2.97Å
16G69.3Low61.1Low42 Ų42116 Ų11643%0.43365%0.654SS.*Hα-helixtrans-62.1-41174.700000112.6V19 L20G16-V19 PolarHBondContact O-N 2.94Å; G16-L20 WeakPolarHBondContact O-CB 3.35Å; G16-L20 VanDerWaalsContact O-CG 3.32Å; G16-L20 WeakPolarHBondContact O-CG 3.39Å; G16-L20 PolarHBondContact O-N 2.8Å
17L70.6Confident61.2Low116 Ų116115.4 Ų115.461%0.60765%0.647SS**Hα-helixtrans-69.6-39177-153.7157.4000111.6G13 G14 V15 L20 L21G13-L17 PolarHBondContact O-N 3.25Å; G14-L17 PolarHBondContact O-N 3.26Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 3Å; L17-L20 PolarHBondContact O-N 3.1Å; L17-L21 VanDerWaalsContact O-CB 3.25Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 PolarHBondContact O-N 3.17Å
18L72.7Confident60.9Low103 Ų103111.9 Ų111.954%0.53963%0.634SS.*Hα-helixtrans-61.9-42.8174.2-168.283.7000111.7G14 V15 L21 L22G14-L18 VanDerWaalsContact O-CB 3.28Å; G14-L18 WeakPolarHBondContact O-CB 3.36Å; G14-L18 PolarHBondContact O-N 3.18Å; V15-L18 PolarHBondContact O-N 3.2Å; L18-L21 PolarHBondContact O-N 3.43Å; L18-L22 HydrophobicContact CG-CD1 4.27Å; L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.93Å
19V76.8Confident61Low77 Ų77104.8 Ų104.847%0.46762%0.623SS.*Hα-helixtrans-66-44.4176.61710000111.1V15 G16 L22 L23V15-V19 HydrophobicContact CG1-CG2 4.49Å; V15-V19 WeakPolarHBondContact O-CB 3.37Å; V15-V19 VanDerWaalsContact O-CG2 3.25Å; V15-V19 WeakPolarHBondContact O-CG2 3.36Å; V15-V19 PolarHBondContact O-N 2.97Å; G16-V19 PolarHBondContact O-N 2.94Å; V19-L22 PolarHBondContact O-N 2.92Å; V19-L23 WeakPolarHBondContact O-CB 3.32Å; V19-L23 PolarHBondContact O-N 2.82Å
20L75.3Confident61.2Low124 Ų124107.8 Ų107.865%0.64964%0.635SS**Hα-helixtrans-63.5-40.6175.9-75.8166.9000112.3G16 L17 L23 G24G16-L20 WeakPolarHBondContact O-CB 3.35Å; G16-L20 VanDerWaalsContact O-CG 3.32Å; G16-L20 WeakPolarHBondContact O-CG 3.39Å; G16-L20 PolarHBondContact O-N 2.8Å; L17-L20 PolarHBondContact O-N 3.1Å; L20-L23 PolarHBondContact O-N 3.48Å; L20-G24 PolarHBondContact O-N 3.05Å
21L75.9Confident60.8Low110 Ų110105.7 Ų105.758%0.57663%0.628SS**Hα-helixtrans-65.3-43.5178.1-16879.6000111.3L17 L18 G24 L25L17-L21 VanDerWaalsContact O-CB 3.25Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 PolarHBondContact O-N 3.17Å; L18-L21 PolarHBondContact O-N 3.43Å; L21-G24 PolarHBondContact O-N 2.95Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 PolarHBondContact O-N 3.33Å
22L74.4Confident60.4Low81 Ų81102 Ų10242%0.42463%0.627SS.*Hα-helixtrans-65.3-41.1176-77.3164.9000111.6L18 V19 G24 L25 F26L18-L22 HydrophobicContact CG-CD1 4.27Å; L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.93Å; V19-L22 PolarHBondContact O-N 2.92Å; L22-G24 VanDerWaalsContact C-N 3.35Å; L22-G24 PolarHBondContact O-N 3.27Å; L22-L25 PolarHBondContact O-N 3.24Å; L22-F26 WeakPolarHBondContact O-CD2 3.31Å; L22-F26 PolarHBondContact O-N 3.39Å; L22-F26 VanDerWaalsContact O-N 3.14Å
23L70.5Confident59.7Low113 Ų113103.4 Ų103.459%0.59263%0.628SS**Hα-helixtrans-65.6-39.2177.5-161.368.8000111.7V19 L20 F26 Q27V19-L23 WeakPolarHBondContact O-CB 3.32Å; V19-L23 PolarHBondContact O-N 2.82Å; L20-L23 PolarHBondContact O-N 3.48Å; L23-F26 PolarHBondContact O-N 2.98Å; L23-Q27 PolarHBondContact O-N 3.25Å
24G69.3Low59Low51 Ų51106 Ų10653%0.52665%0.645SS.*Hα-helixtrans-67.9-34.2174.800000113.8L20 L21 L22L20-G24 PolarHBondContact O-N 3.05Å; L21-G24 PolarHBondContact O-N 2.95Å; L22-G24 VanDerWaalsContact C-N 3.35Å; L22-G24 PolarHBondContact O-N 3.27Å
25L64.4Low57.9Low141 Ų141114.7 Ų114.774%0.73866%0.662SS**Hα-helixtrans-73-29.2178.1-143.3102.9000112.7L21 L22L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 PolarHBondContact O-N 3.33Å; L22-L25 PolarHBondContact O-N 3.24Å
26F54.6Low57Low167 Ų167115.7 Ų115.773%0.73267%0.67SS**THydrogen-bonded Turntrans-92.81.2179.4-85.7-82.8000114.2L22 L23 P28L22-F26 WeakPolarHBondContact O-CD2 3.31Å; L22-F26 PolarHBondContact O-N 3.39Å; L22-F26 VanDerWaalsContact O-N 3.14Å; L23-F26 PolarHBondContact O-N 2.98Å; F26-P28 WeakPolarHBondContact O-CD 3.45Å
27Q48.9Very low55.4Low139 Ų139119.9 Ų119.965%0.6569%0.687SS**  trans-94.195.5174.5-162.8152.64.900110L23L23-Q27 PolarHBondContact O-N 3.25Å
28P41.8Very low54Low94 Ų94123.9 Ų123.961%0.6170%0.699SS**  trans-64145.2174.627.2-34.5000110F26 S30F26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-S30 PolarHBondContact O-N 2.91Å
29P41.7Very low52.5Low123 Ų123127.4 Ų127.480%0.79971%0.713SS**  trans-61109.4175.424.6-32000109.3A31P29-A31 PolarHBondContact O-N 2.86Å
30S46.9Very low50.9Low119 Ų119129.1 Ų129.183%0.83273%0.726SS**SBendtrans-75.959175.8-62.30000110.4P28P28-S30 PolarHBondContact O-N 2.91Å
31A42.8Very low49.2Very low80 Ų80135.1 Ų135.166%0.66174%0.74SS**  trans-16540.3178.500000116P29P29-A31 PolarHBondContact O-N 2.86Å
32L43.8Very low47.2Very low173 Ų173133 Ų13391%0.90675%0.745SS**  trans-147.152.5166-73-178.1000113.6
33C37.6Very low45.4Very low131 Ų131137.5 Ų137.589%0.88577%0.768SS**  trans-14054.5162.6-89.90000110.9R35C33-R35 PolarHBondContact O-N 3.49Å
34A37.1Very low43.5Very low105 Ų105137.7 Ų137.787%0.86878%0.779SS**  trans-74.797155.100000107.4
35R37.2Very low41.8Very low234 Ų234139.7 Ų139.788%0.88379%0.79SS**  trans-60.9141.8179.4-164-179.6-172.7-171.22.2110.8C33C33-R35 PolarHBondContact O-N 3.49Å
36P45.7Very low40.2Very low106 Ų106137.6 Ų137.669%0.68879%0.793SS**  trans-82.2158.9-17936.5-36.8000112
37V35.2Very low39.1Very low130 Ų130135.1 Ų135.179%0.78880%0.797SS**  trans74.2110.1159.5-179.10000117.4E39V37-E39 HydrophobicContact CG1-CB 4.49Å
38K42.5Very low39.4Very low201 Ų201133.9 Ų133.987%0.87480%0.801SS**  trans-104.6112.5157.9178.2177.4-175.6177.80107.2
39E39.3Very low39.5Very low176 Ų176135.4 Ų135.482%0.82281%0.811SS**  trans-144.6122.9161.7-106.9171.6-164.900109.8V37V37-E39 HydrophobicContact CG1-CB 4.49Å
40P43.4Very low39.6Very low113 Ų113137.8 Ų137.873%0.73482%0.816SS**  trans-95.2125.8173.333.6-25.9000111.2
41R40.9Very low38.9Very low251 Ų251136.7 Ų136.795%0.94781%0.814SS**  trans43.9108.8136-173.6176.5-104.9177.7-6.5117.5
42G32.6Very low39Very low66 Ų66141.9 Ų141.968%0.6883%0.825SS**  trans-175.5108157.100000115.6
43L36.3Very low38.7Very low175 Ų175140.9 Ų140.992%0.91683%0.826SS**  trans74.8115.5141.9-52.8174.5000120.8
44S32.1Very low38.5Very low117 Ų117138.4 Ų138.482%0.81882%0.822SS**  101.2122.8124.8-142.20000120.1
45A32.6Very low38.9Very low92 Ų92138 Ų13876%0.7682%0.819SS**  trans90.2119138.600000121.5
46A31.6Very low38.9Very low97 Ų97132.7 Ų132.780%0.80282%0.815SS**  trans94.8101.4130.400000120.9
47S32.2Very low39Very low116 Ų116138.1 Ų138.181%0.81182%0.821SS**  trans79.2137.7130.3-1400000121.7
48P55.1Low39.7Very low113 Ų113143.5 Ų143.573%0.73483%0.828SS**  trans-94.4170.117039.7-32.2000111.8
49P44Very low39.6Very low126 Ų126141.9 Ų141.982%0.81882%0.821SS**  -149167.4100.835.3-15.9000117.3
50L42.6Very low40.2Very low172 Ų172145.3 Ų145.390%0.90183%0.826SS**  trans-25138.9169.3-107.177.8000118.8
51A33.1Very low40.2Very low97 Ų97150.4 Ų150.480%0.80283%0.831SS**  -169.8109.6129.900000110.5
52E45Very low40.5Very low189 Ų189143.8 Ų143.888%0.88382%0.823SS**  trans-67.9132.2159.6-73.2-178.7138.100109.3
53T36.8Very low41.2Very low152 Ų152146 Ų14693%0.93382%0.823SS**  trans170.4134137.329.60000110.1
54G34.1Very low42Very low78 Ų78141.7 Ų141.780%0.80481%0.805SS**  trans122.196.3160.100000115
55A44.7Very low42.8Very low96 Ų96146 Ų14679%0.79380%0.804SS**  trans-50.7139.7175.700000114.2R57A55-R57 PolarHBondContact O-N 3.38Å
56P38.1Very low43.8Very low123 Ų123144.3 Ų144.380%0.79980%0.795SS**  trans-84.3116.8166.632.2-26.8000108.9R58P56-R58 PolarHBondContact O-N 2.94Å
57R46.8Very low45.1Very low220 Ų220147 Ų14783%0.8379%0.791SS**  trans-42.1119.2168.7-73.8174.4170.1176.7-3.1110.6A55 F59A55-R57 PolarHBondContact O-N 3.38Å; R57-F59 VanDerWaalsContact C-N 3.31Å; R57-F59 HydrophobicContact CB-CD2 4.18Å; R57-F59 PolarHBondContact O-N 3.41Å
58R49.4Very low46.6Very low244 Ų244144.6 Ų144.692%0.92178%0.779SS**  trans-65.790.9163.4-73.9-174179.6-165.91.4108.9P56P56-R58 PolarHBondContact O-N 2.94Å
59F40.8Very low46.7Very low166 Ų166142 Ų14273%0.72877%0.767SS**  trans-107.272.4152.8-82.9-76.4000108.5R57 R61R57-F59 VanDerWaalsContact C-N 3.31Å; R57-F59 HydrophobicContact CB-CD2 4.18Å; R57-F59 PolarHBondContact O-N 3.41Å; F59-R61 PolarHBondContact O-N 3Å
60R51.4Low48.1Very low248 Ų248138.9 Ų138.994%0.93675%0.752SS**  trans-80.684151.6-81.2-157.2178.3-167.12.3107.3
61R44.8Very low50.1Low221 Ų221132.3 Ų132.383%0.83473%0.725SS**  trans-88.5105.6149-105-179.4175.7169.1-1.4105.9F59 V63F59-R61 PolarHBondContact O-N 3Å; R61-V63 PolarHBondContact O-N 3.19Å
62S46.4Very low52.5Low111 Ų111130.6 Ų130.678%0.77671%0.711SS**  trans-50.7121.6164.342.70000108.5P64S62-P64 WeakPolarHBondContact O-CD 3.29Å
63V46.4Very low54.5Low113 Ų113126.3 Ų126.369%0.68570%0.697SS**  trans-80.3113.4171.3-178.50000106.4R61 R65R61-V63 PolarHBondContact O-N 3.19Å; V63-R65 HydrophobicContact CG1-CB 3.48Å; V63-R65 VanDerWaalsContact CG1-CB 3.48Å; V63-R65 PolarHBondContact O-N 3.36Å
64P53.1Low57.1Low84 Ų84125 Ų12555%0.54568%0.681SS.*  trans-83.645.4176.437.6-34.1000109.7S62 G66 A68S62-P64 WeakPolarHBondContact O-CD 3.29Å; P64-G66 VanDerWaalsContact C-N 3.34Å; P64-A68 PolarHBondContact O-N 2.88Å
65R49.3Very low60Low208 Ų208126.6 Ų126.679%0.78567%0.667SS**Hα-helixtrans-78.7-22.9-174.7-164.9169.6-171.8124.30.1112.1V63V63-R65 HydrophobicContact CG1-CB 3.48Å; V63-R65 VanDerWaalsContact CG1-CB 3.48Å; V63-R65 PolarHBondContact O-N 3.36Å
66G54Low62.2Low56 Ų56126.7 Ų126.758%0.57765%0.654SS**Hα-helixtrans-80-39.2175.200000113.7P64 A70P64-G66 VanDerWaalsContact C-N 3.34Å; G66-A70 WeakPolarHBondContact O-CB 3.28Å; G66-A70 PolarHBondContact O-N 3.01Å
67E59.7Low64.8Low153 Ų153123.3 Ų123.372%0.71564%0.636SS**Hα-helixtrans-74.7-34.8-178.8-70.5175.6167.200112.6A70 G71E67-A70 PolarHBondContact O-N 3.35Å; E67-G71 PolarHBondContact O-N 3.43Å
68A62.7Low67.1Low67 Ų67119.1 Ų119.155%0.55462%0.62SS**Hα-helixtrans-67.8-38.617600000112.5P64 A72P64-A68 PolarHBondContact O-N 2.88Å; A68-A72 WeakPolarHBondContact O-CB 3.36Å; A68-A72 PolarHBondContact O-N 3.44Å
69A58.3Low69.2Low58 Ų58110.3 Ų110.348%0.47960%0.6SS.*Hα-helixtrans-70.7-40.7175.200000111.6A72 V73A69-A72 PolarHBondContact O-N 3.34Å; A69-V73 VanDerWaalsContact O-CG2 3.29Å; A69-V73 WeakPolarHBondContact O-CG2 3.43Å; A69-V73 PolarHBondContact O-N 3.32Å
70A72.9Confident71.7Confident61 Ų61106.4 Ų106.450%0.50459%0.586SS.*Hα-helixtrans-63.5-41.1173.800000112G66 E67 V73 Q74G66-A70 WeakPolarHBondContact O-CB 3.28Å; G66-A70 PolarHBondContact O-N 3.01Å; E67-A70 PolarHBondContact O-N 3.35Å; A70-V73 PolarHBondContact O-N 2.97Å; A70-Q74 WeakPolarHBondContact O-CB 3.39Å; A70-Q74 PolarHBondContact O-N 2.89Å
71G84.7Confident73.8Confident33 Ų3397 Ų9734%0.3456%0.561SS.*Hα-helixtrans-64.7-41.6174.600000112.8E67 Q74 E75E67-G71 PolarHBondContact O-N 3.43Å; G71-Q74 WeakPolarHBondContact O-CB 3.34Å; G71-Q74 PolarHBondContact O-N 3.29Å; G71-E75 WeakPolarHBondContact O-CG 3.46Å; G71-E75 PolarHBondContact O-N 2.83Å
72A83.9Confident76.3Confident61 Ų6192.2 Ų92.250%0.50455%0.548SS..Hα-helixtrans-64.6-39.3175.600000112.5A68 A69 E75 L76A68-A72 WeakPolarHBondContact O-CB 3.36Å; A68-A72 PolarHBondContact O-N 3.44Å; A69-A72 PolarHBondContact O-N 3.34Å; A72-E75 PolarHBondContact O-N 3.38Å; A72-L76 VanDerWaalsContact O-CB 3.28Å; A72-L76 WeakPolarHBondContact O-CB 3.41Å; A72-L76 PolarHBondContact O-N 3.44Å
73V87.3Confident78.6Confident99 Ų9991.3 Ų91.360%0.653%0.534SS*.Hα-helixtrans-67.5-37.7174.2173.50000111.1A69 A70 L76 A77A69-V73 VanDerWaalsContact O-CG2 3.29Å; A69-V73 WeakPolarHBondContact O-CG2 3.43Å; A69-V73 PolarHBondContact O-N 3.32Å; A70-V73 PolarHBondContact O-N 2.97Å; V73-L76 PolarHBondContact O-N 2.9Å; V73-A77 VanDerWaalsContact O-CB 3.31Å; V73-A77 WeakPolarHBondContact O-CB 3.21Å; V73-A77 PolarHBondContact O-N 2.9Å
74Q91.6Very high81Confident125 Ų12590.2 Ų90.258%0.58452%0.524SS*.Hα-helixtrans-65.4-43.2175.2-167.3802500111.9A70 G71 A77 R78A70-Q74 WeakPolarHBondContact O-CB 3.39Å; A70-Q74 PolarHBondContact O-N 2.89Å; G71-Q74 WeakPolarHBondContact O-CB 3.34Å; G71-Q74 PolarHBondContact O-N 3.29Å; Q74-A77 PolarHBondContact O-N 2.92Å; Q74-R78 WeakPolarHBondContact O-CB 3.45Å; Q74-R78 PolarHBondContact O-N 3.03Å
75E92.9Very high82.8Confident111 Ų11191 Ų9152%0.51952%0.521SS..Hα-helixtrans-68.1-36.7176.1-73.2-57147.100111.7G71 A72 R78 A79G71-E75 WeakPolarHBondContact O-CG 3.46Å; G71-E75 PolarHBondContact O-N 2.83Å; A72-E75 PolarHBondContact O-N 3.38Å; E75-R78 PolarHBondContact O-N 2.75Å; E75-R78 IonicContact OE1-NH1 3.76Å; E75-A79 WeakPolarHBondContact O-CB 3.48Å; E75-A79 PolarHBondContact O-N 2.96Å
76L92.6Very high85Confident99 Ų9983.1 Ų83.152%0.51850%0.5SS..Hα-helixtrans-66.7-41.8172.7-171.9135.1000111.6A72 V73 R78 A79 L80A72-L76 VanDerWaalsContact O-CB 3.28Å; A72-L76 WeakPolarHBondContact O-CB 3.41Å; A72-L76 PolarHBondContact O-N 3.44Å; V73-L76 PolarHBondContact O-N 2.9Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.19Å; L76-A79 PolarHBondContact O-N 3.11Å; L76-L80 HydrophobicContact CD2-CD1 3.66Å; L76-L80 HydrophobicContact CD2-CG 4.32Å; L76-L80 HydrophobicContact CG-CD1 4.5Å; L76-L80 WeakPolarHBondContact O-CB 3.01Å; L76-L80 VanDerWaalsContact O-CG 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.82Å
77A91.5Very high86.8Confident52 Ų5283.4 Ų83.443%0.4349%0.486SS..Hα-helixtrans-61.5-40173.500000111.6V73 Q74 A81V73-A77 VanDerWaalsContact O-CB 3.31Å; V73-A77 WeakPolarHBondContact O-CB 3.21Å; V73-A77 PolarHBondContact O-N 2.9Å; Q74-A77 PolarHBondContact O-N 2.92Å; A77-A81 WeakPolarHBondContact O-CB 3.42Å; A77-A81 PolarHBondContact O-N 2.89Å
78R94.9Very high88.2Confident131 Ų13183.5 Ų83.549%0.49448%0.48SS..Hα-helixtrans-66.7-42.7174.8178.4172-90.1136.3-5.7111.9Q74 E75 L76 A81 H82Q74-R78 WeakPolarHBondContact O-CB 3.45Å; Q74-R78 PolarHBondContact O-N 3.03Å; E75-R78 PolarHBondContact O-N 2.75Å; E75-R78 IonicContact OE1-NH1 3.76Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.19Å; R78-A81 PolarHBondContact O-N 3.42Å; R78-H82 PolarHBondContact O-CD2 3Å; R78-H82 PolarHBondContact O-N 3Å
79A94.4Very high89.5Confident59 Ų5985.1 Ų85.149%0.48848%0.476SS..Hα-helixtrans-63.7-41.6176.600000112.1E75 L76 H82 L83E75-A79 WeakPolarHBondContact O-CB 3.48Å; E75-A79 PolarHBondContact O-N 2.96Å; L76-A79 PolarHBondContact O-N 3.11Å; A79-H82 PolarHBondContact O-N 3.42Å; A79-L83 PolarHBondContact O-N 2.97Å
80L93.4Very high91Very high84 Ų8488.5 Ų88.544%0.4448%0.482SS..Hα-helixtrans-65.5-39.8175-71.9176.3000112L76 L83 L84L76-L80 HydrophobicContact CD2-CD1 3.66Å; L76-L80 HydrophobicContact CD2-CG 4.32Å; L76-L80 HydrophobicContact CG-CD1 4.5Å; L76-L80 WeakPolarHBondContact O-CB 3.01Å; L76-L80 VanDerWaalsContact O-CG 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.82Å; L80-L83 PolarHBondContact O-N 3.31Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 3.21Å
81A95.2Very high91.7Very high50 Ų5092 Ų9241%0.41348%0.482SS..Hα-helixtrans-60-46.4174.100000111.2A77 R78 L83 L84 E85A77-A81 WeakPolarHBondContact O-CB 3.42Å; A77-A81 PolarHBondContact O-N 2.89Å; R78-A81 PolarHBondContact O-N 3.42Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.36Å; A81-L84 PolarHBondContact O-N 3.49Å; A81-E85 WeakPolarHBondContact O-CB 3.44Å; A81-E85 PolarHBondContact O-N 3.43Å
82H97Very high92Very high122 Ų12292.9 Ų92.957%0.56549%0.486SS*.Hα-helixtrans-63.5-37176.8-75.3-57.1000113.4R78 A79 E85 A86R78-H82 PolarHBondContact O-CD2 3Å; R78-H82 PolarHBondContact O-N 3Å; A79-H82 PolarHBondContact O-N 3.42Å; H82-E85 PolarHBondContact O-N 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.47Å; H82-A86 PolarHBondContact O-N 2.73Å
83L95.2Very high92.2Very high92 Ų9298.4 Ų98.448%0.48249%0.494SS..Hα-helixtrans-68.2-40.6177.7-171.4142.9000111.8A79 L80 A81 A86 E87A79-L83 PolarHBondContact O-N 2.97Å; L80-L83 PolarHBondContact O-N 3.31Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.36Å; L83-A86 PolarHBondContact O-N 2.95Å; L83-E87 WeakPolarHBondContact O-CB 3.48Å; L83-E87 PolarHBondContact O-N 2.98Å
84L95.6Very high92.3Very high90 Ų9096 Ų9647%0.47148%0.484SS..Hα-helixtrans-68.7-36.6174.1-69.3172.6000112.2L80 A81 E87 R88L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 3.21Å; A81-L84 PolarHBondContact O-N 3.49Å; L84-E87 PolarHBondContact O-N 3.45Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 3.38Å
85E92.9Very high92.1Very high101 Ų10196 Ų9647%0.47248%0.484SS..Hα-helixtrans-62.9-44.3173.3-154.587.7-146.400110.9A81 H82 E87 R88 Q89A81-E85 WeakPolarHBondContact O-CB 3.44Å; A81-E85 PolarHBondContact O-N 3.43Å; H82-E85 PolarHBondContact O-N 3.28Å; E85-E87 VanDerWaalsContact C-N 3.34Å; E85-E87 PolarHBondContact O-N 3.04Å; E85-R88 PolarHBondContact O-N 3Å; E85-Q89 WeakPolarHBondContact O-CG 3.42Å; E85-Q89 PolarHBondContact O-N 3.1Å
86A94.1Very high91.9Very high42 Ų4293.1 Ų93.135%0.34748%0.48SS..Hα-helixtrans-62.6-41.5176.800000111.4H82 L83 Q89 E90H82-A86 WeakPolarHBondContact O-CB 3.47Å; H82-A86 PolarHBondContact O-N 2.73Å; L83-A86 PolarHBondContact O-N 2.95Å; A86-Q89 WeakPolarHBondContact O-CB 3.29Å; A86-Q89 PolarHBondContact O-N 3.08Å; A86-E90 WeakPolarHBondContact O-CG 3.32Å; A86-E90 PolarHBondContact O-N 2.99Å
87E91.8Very high91.5Very high62 Ų6293.1 Ų93.129%0.2948%0.477SS..Hα-helixtrans-67.3-37.5178.2-175.1-113-15300112.6L83 L84 E85 Q89 E90 R91L83-E87 WeakPolarHBondContact O-CB 3.48Å; L83-E87 PolarHBondContact O-N 2.98Å; L84-E87 PolarHBondContact O-N 3.45Å; E85-E87 VanDerWaalsContact C-N 3.34Å; E85-E87 PolarHBondContact O-N 3.04Å; E87-Q89 VanDerWaalsContact C-N 3.35Å; E87-E90 PolarHBondContact O-N 3.39Å; E87-R91 VanDerWaalsContact CD-CZ 3.41Å; E87-R91 PolarHBondContact O-N 2.98Å; E87-R91 IonicContact OE1-CZ 2.97Å; E87-R91 IonicContact OE1-NE 3.98Å; E87-R91 IonicContact OE1-NH1 2.94Å; E87-R91 PolarHBondContact OE1-NH1 3.42Å; E87-R91 IonicContact OE1-NH2 2.6Å; E87-R91 PolarHBondContact OE1-NH2 3.12Å; E87-R91 IonicContact OE2-CZ 3.49Å; E87-R91 IonicContact OE2-NH1 2.69Å; E87-R91 PolarHBondContact OE2-NH1 3.21Å; E87-R91 IonicContact OE2-NH2 3.87Å
88R90.1Very high91.4Very high154 Ų15496 Ų9658%0.58148%0.482SS*.Hα-helixtrans-63.9-39.7169.7-73.1-174.3-175123.31.9112.4L84 E85 E90 R91 A92L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 3.38Å; E85-R88 PolarHBondContact O-N 3Å; R88-E90 VanDerWaalsContact C-N 3.34Å; R88-R91 PolarHBondContact O-N 3.37Å; R88-A92 WeakPolarHBondContact O-CB 3.36Å; R88-A92 PolarHBondContact O-N 2.99Å
89Q89.8Confident90.9Very high101 Ų10191.6 Ų91.647%0.47247%0.474SS..Hα-helixtrans-66.4-36.8175.7-72.8176.613.200111.9E85 A86 E87 A92 R93E85-Q89 WeakPolarHBondContact O-CG 3.42Å; E85-Q89 PolarHBondContact O-N 3.1Å; A86-Q89 WeakPolarHBondContact O-CB 3.29Å; A86-Q89 PolarHBondContact O-N 3.08Å; E87-Q89 VanDerWaalsContact C-N 3.35Å; Q89-A92 PolarHBondContact O-N 3.23Å; Q89-R93 VanDerWaalsContact O-CG 3.29Å; Q89-R93 WeakPolarHBondContact O-CG 3.43Å; Q89-R93 PolarHBondContact O-N 3.43Å
90E89Confident90.3Very high129 Ų12994.3 Ų94.360%0.60348%0.476SS*.Hα-helixtrans-64.1-43.2173.9-76.2-180178.800111.5A86 E87 R88 R93 A94A86-E90 WeakPolarHBondContact O-CG 3.32Å; A86-E90 PolarHBondContact O-N 2.99Å; E87-E90 PolarHBondContact O-N 3.39Å; R88-E90 VanDerWaalsContact C-N 3.34Å; E90-R93 PolarHBondContact O-N 3.47Å; E90-A94 PolarHBondContact O-N 3.42Å
91R87.2Confident90Very high134 Ų13493.8 Ų93.851%0.50647%0.474SS..Hα-helixtrans-60.7-46.6172.4-73.2-170.7179.6115.26.9112.5E87 R88 R93 A94 E95E87-R91 VanDerWaalsContact CD-CZ 3.41Å; E87-R91 PolarHBondContact O-N 2.98Å; E87-R91 IonicContact OE1-CZ 2.97Å; E87-R91 IonicContact OE1-NE 3.98Å; E87-R91 IonicContact OE1-NH1 2.94Å; E87-R91 PolarHBondContact OE1-NH1 3.42Å; E87-R91 IonicContact OE1-NH2 2.6Å; E87-R91 PolarHBondContact OE1-NH2 3.12Å; E87-R91 IonicContact OE2-CZ 3.49Å; E87-R91 IonicContact OE2-NH1 2.69Å; E87-R91 PolarHBondContact OE2-NH1 3.21Å; E87-R91 IonicContact OE2-NH2 3.87Å; R88-R91 PolarHBondContact O-N 3.37Å; R91-R93 PolarHBondContact O-N 3.38Å; R91-A94 WeakPolarHBondContact O-CB 3.25Å; R91-A94 PolarHBondContact O-N 3.16Å; R91-A94 VanDerWaalsContact O-N 3.07Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 2.89Å
92A90.9Very high89.4Confident53 Ų5395.7 Ų95.744%0.43847%0.474SS..Hα-helixtrans-61.7-3417800000112.5R88 Q89 A96R88-A92 WeakPolarHBondContact O-CB 3.36Å; R88-A92 PolarHBondContact O-N 2.99Å; Q89-A92 PolarHBondContact O-N 3.23Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.11Å; A92-A96 VanDerWaalsContact O-N 3.11Å
93R88.1Confident88.6Confident176 Ų17694.3 Ų94.366%0.66447%0.468SS*.Hα-helixtrans-71.1-38.5173.1-73175.7-173.4169.55.7112.2Q89 E90 R91 A96 Q97Q89-R93 VanDerWaalsContact O-CG 3.29Å; Q89-R93 WeakPolarHBondContact O-CG 3.43Å; Q89-R93 PolarHBondContact O-N 3.43Å; E90-R93 PolarHBondContact O-N 3.47Å; R91-R93 PolarHBondContact O-N 3.38Å; R93-A96 PolarHBondContact O-N 2.95Å; R93-Q97 WeakPolarHBondContact O-CB 3.37Å; R93-Q97 PolarHBondContact O-N 2.88Å
94A89.4Confident87.9Confident48 Ų4892.5 Ų92.540%0.39747%0.466SS..Hα-helixtrans-64.3-45.8175.700000111.4E90 R91 A96 Q97 E98E90-A94 PolarHBondContact O-N 3.42Å; R91-A94 WeakPolarHBondContact O-CB 3.25Å; R91-A94 PolarHBondContact O-N 3.16Å; R91-A94 VanDerWaalsContact O-N 3.07Å; A94-A96 VanDerWaalsContact C-N 3.34Å; A94-A96 PolarHBondContact O-N 3.42Å; A94-Q97 WeakPolarHBondContact O-CB 3.46Å; A94-Q97 PolarHBondContact O-N 3.07Å; A94-Q97 VanDerWaalsContact O-N 3.15Å; A94-E98 WeakPolarHBondContact O-CG 3.47Å; A94-E98 PolarHBondContact O-N 3.39Å
95E88.8Confident87.2Confident125 Ų12595.3 Ų95.358%0.58447%0.471SS*.Hα-helixtrans-61.5-40.5175.9-70.6170.6-166.100112.1R91 E98 A99R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 2.89Å; E95-E98 PolarHBondContact O-N 2.69Å; E95-A99 PolarHBondContact O-N 2.6Å
96A87.3Confident86.8Confident52 Ų5292.1 Ų92.143%0.4346%0.458SS..Hα-helixtrans-63.7-41.4174.300000111.9A92 R93 A94 A99 E100A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.11Å; A92-A96 VanDerWaalsContact O-N 3.11Å; R93-A96 PolarHBondContact O-N 2.95Å; A94-A96 VanDerWaalsContact C-N 3.34Å; A94-A96 PolarHBondContact O-N 3.42Å; A96-A99 PolarHBondContact O-N 2.93Å; A96-E100 PolarHBondContact O-N 3.28Å
97Q85.7Confident86.1Confident98 Ų9894.2 Ų94.246%0.45846%0.463SS..Hα-helixtrans-64.3-40.9175.7-169.766.138.700111.6R93 A94 A99 E100 D101R93-Q97 WeakPolarHBondContact O-CB 3.37Å; R93-Q97 PolarHBondContact O-N 2.88Å; A94-Q97 WeakPolarHBondContact O-CB 3.46Å; A94-Q97 PolarHBondContact O-N 3.07Å; A94-Q97 VanDerWaalsContact O-N 3.15Å; Q97-A99 VanDerWaalsContact C-N 3.33Å; Q97-A99 PolarHBondContact O-N 2.9Å; Q97-E100 PolarHBondContact O-N 2.96Å; Q97-D101 PolarHBondContact NE2-OD1 2.9Å; Q97-D101 WeakPolarHBondContact O-CB 3.46Å; Q97-D101 VanDerWaalsContact O-CG 3.27Å; Q97-D101 PolarHBondContact O-N 3.29Å
98E89.4Confident85.5Confident113 Ų11393.2 Ų93.253%0.52847%0.465SS..Hα-helixtrans-61.8-40.3175.2-74.1171.3-170.300111.6A94 E95 D101 Q102A94-E98 WeakPolarHBondContact O-CG 3.47Å; A94-E98 PolarHBondContact O-N 3.39Å; E95-E98 PolarHBondContact O-N 2.69Å; E98-D101 PolarHBondContact O-N 2.94Å; E98-Q102 WeakPolarHBondContact O-CB 3.47Å; E98-Q102 WeakPolarHBondContact O-CG 3.5Å; E98-Q102 PolarHBondContact O-N 3.33Å
99A83.9Confident85Confident39 Ų3989.3 Ų89.332%0.32245%0.454SS..Hα-helixtrans-64.8-40175.400000112.4E95 A96 Q97 Q102 Q103E95-A99 PolarHBondContact O-N 2.6Å; A96-A99 PolarHBondContact O-N 2.93Å; Q97-A99 VanDerWaalsContact C-N 3.33Å; Q97-A99 PolarHBondContact O-N 2.9Å; A99-Q102 PolarHBondContact O-N 3.06Å; A99-Q103 VanDerWaalsContact O-CG 3.31Å; A99-Q103 WeakPolarHBondContact O-CG 3.32Å; A99-Q103 PolarHBondContact O-N 3.05Å
100E81.2Confident84.6Confident116 Ų11685 Ų8554%0.54243%0.434SS..Hα-helixtrans-65.7-43173.5-71.3-178.8-172.800111.7A96 Q97 Q102 Q103 A104A96-E100 PolarHBondContact O-N 3.28Å; Q97-E100 PolarHBondContact O-N 2.96Å; E100-Q102 VanDerWaalsContact C-N 3.33Å; E100-Q102 PolarHBondContact O-N 2.84Å; E100-Q103 WeakPolarHBondContact O-CB 3.48Å; E100-Q103 PolarHBondContact O-N 2.92Å; E100-A104 WeakPolarHBondContact O-CB 3.29Å; E100-A104 PolarHBondContact O-N 2.99Å
101D87.8Confident84.1Confident73 Ų7382 Ų8239%0.3942%0.421SS..Hα-helixtrans-64.9-37.6177.1-73.6-10.9000111.3Q97 E98 A104 R105Q97-D101 PolarHBondContact NE2-OD1 2.9Å; Q97-D101 WeakPolarHBondContact O-CB 3.46Å; Q97-D101 VanDerWaalsContact O-CG 3.27Å; Q97-D101 PolarHBondContact O-N 3.29Å; E98-D101 PolarHBondContact O-N 2.94Å; D101-A104 PolarHBondContact O-N 2.99Å; D101-R105 WeakPolarHBondContact O-CB 3.5Å; D101-R105 VanDerWaalsContact O-CG 3.24Å; D101-R105 WeakPolarHBondContact O-CG 3.48Å; D101-R105 PolarHBondContact O-N 2.94Å
102Q83.1Confident83.6Confident90 Ų9083.5 Ų83.542%0.42143%0.427SS..Hα-helixtrans-61.4-46.2171.7-76169.314.800111.1E98 A99 E100 A104 R105 V106E98-Q102 WeakPolarHBondContact O-CB 3.47Å; E98-Q102 WeakPolarHBondContact O-CG 3.5Å; E98-Q102 PolarHBondContact O-N 3.33Å; A99-Q102 PolarHBondContact O-N 3.06Å; E100-Q102 VanDerWaalsContact C-N 3.33Å; E100-Q102 PolarHBondContact O-N 2.84Å; Q102-A104 VanDerWaalsContact C-N 3.34Å; Q102-A104 PolarHBondContact O-N 3.45Å; Q102-R105 PolarHBondContact O-N 3.4Å; Q102-V106 WeakPolarHBondContact O-CG2 3.49Å; Q102-V106 PolarHBondContact O-N 3.14Å
103Q79Confident83Confident93 Ų9384.6 Ų84.644%0.43543%0.428SS..Hα-helixtrans-60.1-44.6174.8-71.5173.713.100111.5A99 E100 R105 V106 L107 A152A99-Q103 VanDerWaalsContact O-CG 3.31Å; A99-Q103 WeakPolarHBondContact O-CG 3.32Å; A99-Q103 PolarHBondContact O-N 3.05Å; E100-Q103 WeakPolarHBondContact O-CB 3.48Å; E100-Q103 PolarHBondContact O-N 2.92Å; Q103-R105 VanDerWaalsContact C-N 3.32Å; Q103-R105 PolarHBondContact O-N 3.47Å; Q103-V106 PolarHBondContact O-N 3.32Å; Q103-L107 WeakPolarHBondContact O-CB 3.31Å; Q103-L107 WeakPolarHBondContact O-CG 3.43Å; Q103-L107 PolarHBondContact O-N 3.5Å; Q103-A152 HydrophobicContact CG-CB 4.4Å
104A79.9Confident81.8Confident54 Ų5481.7 Ų81.745%0.44642%0.417SS..Hα-helixtrans-61.2-39.5177.500000111.9E100 D101 Q102 L107 A108E100-A104 WeakPolarHBondContact O-CB 3.29Å; E100-A104 PolarHBondContact O-N 2.99Å; D101-A104 PolarHBondContact O-N 2.99Å; Q102-A104 VanDerWaalsContact C-N 3.34Å; Q102-A104 PolarHBondContact O-N 3.45Å; A104-L107 PolarHBondContact O-N 3.43Å; A104-A108 VanDerWaalsContact O-CB 3.3Å; A104-A108 WeakPolarHBondContact O-CB 3.44Å; A104-A108 PolarHBondContact O-N 3.42Å
105R82Confident80.4Confident148 Ų14881.6 Ų81.656%0.55842%0.421SS*.Hα-helixtrans-65.1-44.7176.1-73.5172.5-171.8-157.46.4112.3D101 Q102 Q103 A108 Q109D101-R105 WeakPolarHBondContact O-CB 3.5Å; D101-R105 VanDerWaalsContact O-CG 3.24Å; D101-R105 WeakPolarHBondContact O-CG 3.48Å; D101-R105 PolarHBondContact O-N 2.94Å; Q102-R105 PolarHBondContact O-N 3.4Å; Q103-R105 VanDerWaalsContact C-N 3.32Å; Q103-R105 PolarHBondContact O-N 3.47Å; R105-A108 PolarHBondContact O-N 3.28Å; R105-Q109 WeakPolarHBondContact O-CG 3.43Å; R105-Q109 PolarHBondContact O-N 3.08Å
106V84.5Confident78.4Confident34 Ų3478.4 Ų78.421%0.20642%0.416CS..Hα-helixtrans-64.5-42.5177172.60000110.8Q102 Q103 A108 Q109 L110 L155Q102-V106 WeakPolarHBondContact O-CG2 3.49Å; Q102-V106 PolarHBondContact O-N 3.14Å; Q103-V106 PolarHBondContact O-N 3.32Å; V106-A108 VanDerWaalsContact C-N 3.35Å; V106-A108 PolarHBondContact O-N 3.47Å; V106-Q109 PolarHBondContact O-N 3.01Å; V106-L110 HydrophobicContact CG1-CD1 4.26Å; V106-L110 PolarHBondContact O-N 3.12Å; V106-L155 HydrophobicContact CG1-CD1 4.29Å
107L80.2Confident76.4Confident87 Ų8781.1 Ų81.146%0.45543%0.429SS..Hα-helixtrans-61.5-43173.8-73173.9000111.6Q103 A104 Q109 L110 L111Q103-L107 WeakPolarHBondContact O-CB 3.31Å; Q103-L107 WeakPolarHBondContact O-CG 3.43Å; Q103-L107 PolarHBondContact O-N 3.5Å; A104-L107 PolarHBondContact O-N 3.43Å; L107-Q109 VanDerWaalsContact C-N 3.32Å; L107-Q109 PolarHBondContact O-N 2.97Å; L107-L110 HydrophobicContact CD2-CD1 4.48Å; L107-L110 WeakPolarHBondContact O-CB 3.2Å; L107-L110 PolarHBondContact O-N 3.48Å; L107-L111 WeakPolarHBondContact O-CB 3.39Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.23Å
108A77.7Confident74.5Confident40 Ų4087.6 Ų87.633%0.33145%0.449SS..Hα-helixtrans-65.2-33.8175.400000112.6A104 R105 V106 R112A104-A108 VanDerWaalsContact O-CB 3.3Å; A104-A108 WeakPolarHBondContact O-CB 3.44Å; A104-A108 PolarHBondContact O-N 3.42Å; R105-A108 PolarHBondContact O-N 3.28Å; V106-A108 VanDerWaalsContact C-N 3.35Å; V106-A108 PolarHBondContact O-N 3.47Å; A108-R112 WeakPolarHBondContact O-CB 3.25Å; A108-R112 VanDerWaalsContact O-CG 3.3Å; A108-R112 WeakPolarHBondContact O-CG 3.45Å; A108-R112 PolarHBondContact O-N 2.92Å; A108-R112 PolarHBondContact O-NE 3.25Å
109Q80.5Confident72.1Confident73 Ų7389.8 Ų89.834%0.34147%0.465SS..Hα-helixtrans-67.6-46.3172.4-75.3173.5-14.300111.5R105 V106 L107 L111 R112 V113R105-Q109 WeakPolarHBondContact O-CG 3.43Å; R105-Q109 PolarHBondContact O-N 3.08Å; V106-Q109 PolarHBondContact O-N 3.01Å; L107-Q109 VanDerWaalsContact C-N 3.32Å; L107-Q109 PolarHBondContact O-N 2.97Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 3.4Å; Q109-R112 PolarHBondContact O-N 3.46Å; Q109-R112 VanDerWaalsContact O-N 3.15Å; Q109-V113 WeakPolarHBondContact O-CG2 3.47Å; Q109-V113 PolarHBondContact O-N 3.21Å
110L81.4Confident69.9Low10 Ų1092.6 Ų92.65%0.05248%0.482CS..Hα-helixtrans-56.6-47174.5-82.6167.3000112V106 L107 R112 V113 W114 L196 L200V106-L110 HydrophobicContact CG1-CD1 4.26Å; V106-L110 PolarHBondContact O-N 3.12Å; L107-L110 HydrophobicContact CD2-CD1 4.48Å; L107-L110 WeakPolarHBondContact O-CB 3.2Å; L107-L110 PolarHBondContact O-N 3.48Å; L110-R112 VanDerWaalsContact C-N 3.35Å; L110-V113 PolarHBondContact O-N 3.23Å; L110-W114 WeakPolarHBondContact O-CB 3.21Å; L110-W114 PolarHBondContact O-N 3.34Å; L110-L196 HydrophobicContact CD2-CD1 3.47Å; L110-L196 VanDerWaalsContact CD2-CD1 3.47Å; L110-L196 HydrophobicContact CD2-CD2 3.78Å; L110-L196 HydrophobicContact CD2-CG 3.59Å; L110-L196 HydrophobicContact CG-CD1 3.96Å; L110-L196 HydrophobicContact CG-CD2 4.08Å; L110-L196 HydrophobicContact CG-CG 4.31Å; L110-L200 HydrophobicContact CD2-CD1 3.76Å
111L77.4Confident67.6Low66 Ų6694.3 Ų94.335%0.34650%0.495SS..Hα-helixtrans-65.7-36.2176.8-71.6172.8000112L107 Q109 G115 A134L107-L111 WeakPolarHBondContact O-CB 3.39Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.23Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 3.4Å; L111-G115 VanDerWaalsContact O-CA 3.23Å; L111-G115 WeakPolarHBondContact O-CA 3.27Å; L111-G115 PolarHBondContact O-N 2.89Å; L111-A134 HydrophobicContact CD2-CB 4.08Å
112R77.7Confident66.1Low166 Ų16697.1 Ų97.163%0.62652%0.517SS*.Hα-helixtrans-68.3-39.7173.8-81.6-175.5-72.1-171-0.6112.7A108 Q109 L110 W114 A116A108-R112 WeakPolarHBondContact O-CB 3.25Å; A108-R112 VanDerWaalsContact O-CG 3.3Å; A108-R112 WeakPolarHBondContact O-CG 3.45Å; A108-R112 PolarHBondContact O-N 2.92Å; A108-R112 PolarHBondContact O-NE 3.25Å; Q109-R112 PolarHBondContact O-N 3.46Å; Q109-R112 VanDerWaalsContact O-N 3.15Å; L110-R112 VanDerWaalsContact C-N 3.35Å; R112-W114 VanDerWaalsContact C-N 3.29Å; R112-W114 PolarHBondContact O-N 3.02Å; R112-A116 WeakPolarHBondContact O-CB 3.28Å; R112-A116 PolarHBondContact O-N 3.2Å
113V78.4Confident64.1Low76 Ų7696.6 Ų96.646%0.46153%0.528SS..Hα-helixtrans-66.1-34.7177.2171.80000111.3Q109 L110 L196Q109-V113 WeakPolarHBondContact O-CG2 3.47Å; Q109-V113 PolarHBondContact O-N 3.21Å; L110-V113 PolarHBondContact O-N 3.23Å; V113-L196 HydrophobicContact CG2-CD2 4.49Å
114W62.2Low62.2Low115 Ų11599.8 Ų99.844%0.43655%0.548SS..Hα-helixtrans-86-35.4177.9-163.6-79.9000113.8L110 R112 L200 L204L110-W114 WeakPolarHBondContact O-CB 3.21Å; L110-W114 PolarHBondContact O-N 3.34Å; R112-W114 VanDerWaalsContact C-N 3.29Å; R112-W114 PolarHBondContact O-N 3.02Å; W114-L200 HydrophobicContact CD2-CD2 4.5Å; W114-L200 HydrophobicContact CE3-CD2 3.25Å; W114-L200 HydrophobicContact CE3-CG 4.49Å; W114-L200 HydrophobicContact CZ3-CD2 3.36Å; W114-L200 HydrophobicContact CZ3-CG 4.27Å; W114-L204 HydrophobicContact CH2-CD1 3.25Å; W114-L204 HydrophobicContact CH2-CD2 4.47Å; W114-L204 HydrophobicContact CH2-CG 4.48Å; W114-L204 HydrophobicContact CZ2-CD1 4.5Å; W114-L204 HydrophobicContact CZ3-CD1 3.34Å
115G60.5Low60.6Low46 Ų46101.6 Ų101.647%0.47457%0.571SS.*Hα-helixtrans-94.6-6.4-175.100000114.3L111 P117L111-G115 VanDerWaalsContact O-CA 3.23Å; L111-G115 WeakPolarHBondContact O-CA 3.27Å; L111-G115 PolarHBondContact O-N 2.89Å; G115-P117 WeakPolarHBondContact O-CD 3.33Å; G115-P117 VanDerWaalsContact O-N 3.1Å
116A46.8Very low59.2Low58 Ų58102 Ų10248%0.47958%0.583SS.*SBendtrans-57.6116.8162.800000107R112 R118R112-A116 WeakPolarHBondContact O-CB 3.28Å; R112-A116 PolarHBondContact O-N 3.2Å; A116-R118 PolarHBondContact O-N 3.27Å
117P44.5Very low57.5Low108 Ų108108.2 Ų108.270%0.70162%0.615SS**  trans-56.4121.6178.423.4-30.9000106G115 N119G115-P117 WeakPolarHBondContact O-CD 3.33Å; G115-P117 VanDerWaalsContact O-N 3.1Å; P117-N119 VanDerWaalsContact C-N 3.33Å; P117-N119 PolarHBondContact O-N 3.46Å
118R46.3Very low56.3Low234 Ų234112 Ų11288%0.88364%0.636SS**  trans-49.8112.2162.3-69.1178.9176.1-174.8-1.8104.1A116 S120A116-R118 PolarHBondContact O-N 3.27Å; R118-S120 PolarHBondContact O-N 3.06Å
119N39.3Very low55.5Low159 Ų159114.4 Ų114.485%0.8564%0.643SS**SBendtrans-74.145.3-166.6-148.1-0.9000110.6P117P117-N119 VanDerWaalsContact C-N 3.33Å; P117-N119 PolarHBondContact O-N 3.46Å
120S36.8Very low54.4Low98 Ų98116 Ų11669%0.68566%0.66SS**SBendtrans-171.167.2-170.3-560000109.6R118R118-S120 PolarHBondContact O-N 3.06Å
121D32.9Very low53.4Low153 Ų153120.7 Ų120.782%0.81869%0.685SS**  trans-174.4111.7141.6-100.3-24.3000110.9A123D121-A123 PolarHBondContact O-N 3.03Å
122P56Low52.9Low132 Ų132120 Ų12086%0.85769%0.689SS**  trans-94.579.5172.335.6-27.5000109.8
123A42.1Very low52Low79 Ų79114 Ų11465%0.65367%0.672SS**  trans-175.1128.8163.300000107.3D121D121-A123 PolarHBondContact O-N 3.03Å
124L38.3Very low51.4Low160 Ų160112 Ų11284%0.83866%0.664SS**  cis-157.5148.730.3-73164.7000107.3L126L124-L126 PolarHBondContact O-N 3.49Å
125G48Very low51.7Low91 Ų91108.4 Ų108.494%0.93866%0.658SS**  trans-54.694.5176.300000114.1
126L52.1Low52.1Low156 Ų156111.9 Ų111.982%0.81766%0.662SS**  trans-112.4123.5152.4-84.9161.3000104.5L124 D128L124-L126 PolarHBondContact O-N 3.49Å; L126-D128 PolarHBondContact O-N 3.46Å
127D49.2Very low53.1Low165 Ų165111 Ų11188%0.88265%0.649SS**  trans-27.1117.8177.6-92.2-66.4000111.9D129D127-D129 PolarHBondContact O-N 3.02Å
128D54.3Low54.3Low167 Ų167108.6 Ų108.689%0.89364%0.638SS**  trans-65.773.1169.3-81.3-65000108.5L126 P130L126-D128 PolarHBondContact O-N 3.46Å; D128-P130 VanDerWaalsContact O-CD 3.31Å; D128-P130 WeakPolarHBondContact O-CD 3.27Å
129D60.5Low55.6Low90 Ų90105.2 Ų105.248%0.48163%0.625SS.*  trans-74.5109.2165.8-178.62.8000107.2D127 D131 A132D127-D129 PolarHBondContact O-N 3.02Å; D129-D131 PolarHBondContact O-N 3.31Å; D129-D131 PolarHBondContact OD1-N 3.37Å; D129-A132 HydrophobicContact CB-CB 4.3Å; D129-A132 WeakPolarHBondContact O-CB 3.4Å; D129-A132 PolarHBondContact O-N 2.86Å; D129-A132 VanDerWaalsContact O-N 3.1Å
130P58.3Low57Low107 Ų10798.7 Ų98.770%0.69559%0.594SS**THydrogen-bonded Turntrans-62.5-17.4-174.127.6-36000112.8D128D128-P130 VanDerWaalsContact O-CD 3.31Å; D128-P130 WeakPolarHBondContact O-CD 3.27Å
131D59.3Low58.6Low108 Ų10895.4 Ų95.458%0.57857%0.568SS**THydrogen-bonded Turntrans-95.4-8.6-178.2-65.4-36.4000113.6D129 A134 A135D129-D131 PolarHBondContact O-N 3.31Å; D129-D131 PolarHBondContact OD1-N 3.37Å; D131-A134 PolarHBondContact O-N 3.07Å; D131-A134 VanDerWaalsContact O-N 3.15Å; D131-A135 WeakPolarHBondContact O-CB 3.23Å; D131-A135 PolarHBondContact O-N 3.08Å
132A66.6Low60.6Low52 Ų5294.3 Ų94.343%0.4356%0.561SS.*Hα-helixtrans-51.8-46.3177.300000114.2D129 Q136D129-A132 HydrophobicContact CB-CB 4.3Å; D129-A132 WeakPolarHBondContact O-CB 3.4Å; D129-A132 PolarHBondContact O-N 2.86Å; D129-A132 VanDerWaalsContact O-N 3.1Å; A132-Q136 PolarHBondContact O-N 3.36Å; A132-Q136 VanDerWaalsContact O-N 3.14Å
133P59.6Low61.3Low40 Ų4098.2 Ų98.226%0.2656%0.559SS.*Hα-helixtrans-70-36.2177.926.8-34.2000112.7Q136 L137P133-Q136 PolarHBondContact O-N 2.97Å; P133-L137 PolarHBondContact O-N 2.83Å
134A65.4Low62.5Low35 Ų3595.6 Ų95.629%0.28954%0.538SS..Hα-helixtrans-64-42.517700000111.3L111 D131 Q136 L137 A138L111-A134 HydrophobicContact CD2-CB 4.08Å; D131-A134 PolarHBondContact O-N 3.07Å; D131-A134 VanDerWaalsContact O-N 3.15Å; A134-Q136 VanDerWaalsContact C-N 3.33Å; A134-Q136 PolarHBondContact O-N 3.42Å; A134-L137 PolarHBondContact O-N 3.15Å; A134-A138 PolarHBondContact O-N 2.97Å
135A68.6Low63.7Low38 Ų3898.5 Ų98.531%0.31454%0.538SS..Hα-helixtrans-63.8-36.317500000112.5D131 R139D131-A135 WeakPolarHBondContact O-CB 3.23Å; D131-A135 PolarHBondContact O-N 3.08Å; A135-R139 WeakPolarHBondContact O-CB 3.44Å; A135-R139 WeakPolarHBondContact O-CD 3.48Å; A135-R139 WeakPolarHBondContact O-CG 3.29Å; A135-R139 PolarHBondContact O-N 3.32Å; A135-R139 VanDerWaalsContact O-N 3.08Å
136Q70.1Confident64.6Low119 Ų11996.7 Ų96.756%0.55651%0.506SS*.Hα-helixtrans-67.9-40176.4-171174200112.1A132 P133 A134 R139 A140A132-Q136 PolarHBondContact O-N 3.36Å; A132-Q136 VanDerWaalsContact O-N 3.14Å; P133-Q136 PolarHBondContact O-N 2.97Å; A134-Q136 VanDerWaalsContact C-N 3.33Å; A134-Q136 PolarHBondContact O-N 3.42Å; Q136-R139 PolarHBondContact O-N 3.46Å; Q136-A140 WeakPolarHBondContact O-CB 3.35Å; Q136-A140 PolarHBondContact O-N 2.96Å
137L67.6Low65.2Low40 Ų4093.7 Ų93.721%0.20949%0.491CS..Hα-helixtrans-66.5-44.9175.8-172.5144.7000111.5P133 A134 R139 A140 L141P133-L137 PolarHBondContact O-N 2.83Å; A134-L137 PolarHBondContact O-N 3.15Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 3.39Å; L137-A140 WeakPolarHBondContact O-CB 3.45Å; L137-A140 PolarHBondContact O-N 2.89Å; L137-L141 HydrophobicContact CD2-CD1 3.57Å; L137-L141 HydrophobicContact CD2-CG 4.07Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.45Å
138A70.1Confident65.8Low57 Ų5789.4 Ų89.447%0.47147%0.472SS..Hα-helixtrans-57.8-42.4174.700000112A134 L142A134-A138 PolarHBondContact O-N 2.97Å; A138-L142 VanDerWaalsContact O-CB 3.32Å; A138-L142 WeakPolarHBondContact O-CB 3.45Å; A138-L142 PolarHBondContact O-N 3.36Å
139R71.9Confident66.2Low164 Ų16483.9 Ų83.962%0.61945%0.45SS*.Hα-helixtrans-65.5-36.3174.8-70.2167.6-170.7175.85.1112.4A135 Q136 L137 R143A135-R139 WeakPolarHBondContact O-CB 3.44Å; A135-R139 WeakPolarHBondContact O-CD 3.48Å; A135-R139 WeakPolarHBondContact O-CG 3.29Å; A135-R139 PolarHBondContact O-N 3.32Å; A135-R139 VanDerWaalsContact O-N 3.08Å; Q136-R139 PolarHBondContact O-N 3.46Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 3.39Å; R139-R143 WeakPolarHBondContact O-CB 3.37Å; R139-R143 VanDerWaalsContact O-CG 3.29Å; R139-R143 WeakPolarHBondContact O-CG 3.49Å; R139-R143 PolarHBondContact O-N 3.3Å
140A69.9Low66.5Low22 Ų2281.8 Ų81.818%0.18245%0.445CS..Hα-helixtrans-69.9-45.217800000112.2Q136 L137 L142 R143 A144 L204Q136-A140 WeakPolarHBondContact O-CB 3.35Å; Q136-A140 PolarHBondContact O-N 2.96Å; L137-A140 WeakPolarHBondContact O-CB 3.45Å; L137-A140 PolarHBondContact O-N 2.89Å; A140-L142 VanDerWaalsContact C-N 3.33Å; A140-L142 PolarHBondContact O-N 2.85Å; A140-R143 WeakPolarHBondContact O-CB 3.24Å; A140-R143 PolarHBondContact O-N 3.28Å; A140-A144 WeakPolarHBondContact O-CB 3.18Å; A140-A144 PolarHBondContact O-N 2.98Å; A140-L204 HydrophobicContact CB-CD2 4.02Å
141L70.5Confident66.8Low28 Ų2878.1 Ų78.115%0.14742%0.419CS..Hα-helixtrans-60.9-43174.9-69.3179.3000111.6L137 R143 A144 R145 L146 P148 I203L137-L141 HydrophobicContact CD2-CD1 3.57Å; L137-L141 HydrophobicContact CD2-CG 4.07Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.45Å; L141-R143 VanDerWaalsContact C-N 3.32Å; L141-R143 PolarHBondContact O-N 3.36Å; L141-A144 CarbonylContact O-C 3.49Å; L141-A144 PolarHBondContact O-N 2.95Å; L141-A144 VanDerWaalsContact O-N 3.16Å; L141-R145 PolarHBondContact O-N 2.93Å; L141-L146 HydrophobicContact CD2-CB 4.33Å; L141-L146 PolarHBondContact O-N 3.49Å; L141-P148 HydrophobicContact CD1-CB 4.44Å; L141-I203 HydrophobicContact CD2-CG2 4.33Å
142L73.9Confident67Low130 Ų13074.1 Ų74.168%0.68140%0.401SS*.Hα-helixtrans-61.3-40.3175.9-172.472.2000111.9A138 A140 R145A138-L142 VanDerWaalsContact O-CB 3.32Å; A138-L142 WeakPolarHBondContact O-CB 3.45Å; A138-L142 PolarHBondContact O-N 3.36Å; A140-L142 VanDerWaalsContact C-N 3.33Å; A140-L142 PolarHBondContact O-N 2.85Å; L142-R145 PolarHBondContact O-N 3.37Å
143R70.9Confident66.9Low214 Ų21475 Ų7581%0.80841%0.409SS*.Hα-helixtrans-66-38.7174.1-77.3174.4-178.4165.40.6112.3R139 A140 L141 R145R139-R143 WeakPolarHBondContact O-CB 3.37Å; R139-R143 VanDerWaalsContact O-CG 3.29Å; R139-R143 WeakPolarHBondContact O-CG 3.49Å; R139-R143 PolarHBondContact O-N 3.3Å; A140-R143 WeakPolarHBondContact O-CB 3.24Å; A140-R143 PolarHBondContact O-N 3.28Å; L141-R143 VanDerWaalsContact C-N 3.32Å; L141-R143 PolarHBondContact O-N 3.36Å; R143-R145 PolarHBondContact O-N 3.2Å
144A67.3Low67.1Low25 Ų2579.9 Ų79.921%0.20743%0.428CS..Hα-helixtrans-79.3-3178.900000113.8A140 L141 L146 I203A140-A144 WeakPolarHBondContact O-CB 3.18Å; A140-A144 PolarHBondContact O-N 2.98Å; L141-A144 CarbonylContact O-C 3.49Å; L141-A144 PolarHBondContact O-N 2.95Å; L141-A144 VanDerWaalsContact O-N 3.16Å; A144-L146 HydrophobicContact CB-CD1 3.95Å; A144-L146 PolarHBondContact O-N 3Å; A144-L146 VanDerWaalsContact O-N 3.12Å; A144-I203 HydrophobicContact CB-CG2 4.1Å
145R64.8Low66.8Low221 Ų22179.3 Ų79.383%0.83442%0.42SS*.THydrogen-bonded Turntrans53.626.2-175.4-62.1-67.7-171.1172.6-0.2113.5L141 L142 R143L141-R145 PolarHBondContact O-N 2.93Å; L142-R145 PolarHBondContact O-N 3.37Å; R143-R145 PolarHBondContact O-N 3.2Å
146L65.1Low66.1Low53 Ų5381.3 Ų81.328%0.27743%0.428SS..  trans-90.2127.3-179.8-103.2129.6000110.1L141 A144 L151 I203L141-L146 HydrophobicContact CD2-CB 4.33Å; L141-L146 PolarHBondContact O-N 3.49Å; A144-L146 HydrophobicContact CB-CD1 3.95Å; A144-L146 PolarHBondContact O-N 3Å; A144-L146 VanDerWaalsContact O-N 3.12Å; L146-L151 HydrophobicContact CD2-CD1 4.03Å; L146-I203 HydrophobicContact CD1-CG1 4.14Å; L146-I203 HydrophobicContact CD1-CG2 4.44Å
147D64.8Low65.2Low93 Ų9379.9 Ų79.950%0.49743%0.429SS..  trans-77121171.4-178.7-0.2000109A149 A150 L151D147-A149 PolarHBondContact O-N 3.28Å; D147-A149 WeakPolarHBondContact OD1-CB 3.4Å; D147-A149 PolarHBondContact OD1-N 3.46Å; D147-A150 HydrophobicContact CB-CB 3.98Å; D147-A150 PolarHBondContact O-N 2.92Å; D147-A150 VanDerWaalsContact O-N 3.08Å; D147-L151 PolarHBondContact O-N 3.48Å; D147-L151 VanDerWaalsContact O-N 3.1Å
148P61.7Low64.1Low75 Ų7582 Ų8249%0.48745%0.452SS..Hα-helixtrans-57.3-30.617723.4-34.3000113L141 L151 A152L141-P148 HydrophobicContact CD1-CB 4.44Å; P148-L151 PolarHBondContact O-N 3.32Å; P148-A152 PolarHBondContact O-N 3.41Å
149A64.3Low63.1Low51 Ų5185.2 Ų85.242%0.42147%0.468SS..Hα-helixtrans-69-37.7176.200000112.1D147 L151 A152 A153D147-A149 PolarHBondContact O-N 3.28Å; D147-A149 WeakPolarHBondContact OD1-CB 3.4Å; D147-A149 PolarHBondContact OD1-N 3.46Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-A152 PolarHBondContact O-N 3.02Å; A149-A153 WeakPolarHBondContact O-CB 3.5Å; A149-A153 PolarHBondContact O-N 3.05Å
150A65.8Low61.7Low46 Ų4682.9 Ų82.938%0.3847%0.472SS..Hα-helixtrans-70.6-28.5175.500000112.6D147 Q154D147-A150 HydrophobicContact CB-CB 3.98Å; D147-A150 PolarHBondContact O-N 2.92Å; D147-A150 VanDerWaalsContact O-N 3.08Å; A150-Q154 WeakPolarHBondContact O-CG 3.46Å; A150-Q154 PolarHBondContact O-N 3.26Å; A150-Q154 PolarHBondContact O-NE2 3.47Å
151L65.4Low60.2Low30 Ų3086.6 Ų86.616%0.15749%0.494CS..Hα-helixtrans-69.8-46.4171.7-167.294.4000110.8L146 D147 P148 A149 A153 Q154 L155 I203L146-L151 HydrophobicContact CD2-CD1 4.03Å; D147-L151 PolarHBondContact O-N 3.48Å; D147-L151 VanDerWaalsContact O-N 3.1Å; P148-L151 PolarHBondContact O-N 3.32Å; A149-L151 VanDerWaalsContact C-N 3.32Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.02Å; L151-Q154 PolarHBondContact O-N 2.92Å; L151-Q154 VanDerWaalsContact O-N 3.12Å; L151-L155 PolarHBondContact O-N 3.47Å; L151-I203 HydrophobicContact CD1-CD1 3.68Å
152A63.8Low59Low24 Ų2489.5 Ų89.520%0.19852%0.522CS..Hα-helixtrans-59.3-41.4176.400000111.6Q103 P148 A149 Q154 L155 V156Q103-A152 HydrophobicContact CG-CB 4.4Å; P148-A152 PolarHBondContact O-N 3.41Å; A149-A152 PolarHBondContact O-N 3.02Å; A152-Q154 PolarHBondContact O-N 3.2Å; A152-L155 PolarHBondContact O-N 2.82Å; A152-V156 WeakPolarHBondContact O-CG2 3.49Å; A152-V156 PolarHBondContact O-N 3.36Å; A152-V156 VanDerWaalsContact O-N 3.08Å
153A63.7Low57.6Low71 Ų7187.5 Ų87.559%0.58753%0.525SS*.Hα-helixtrans-63.2-22.4177.100000114.6A149 L151A149-A153 WeakPolarHBondContact O-CB 3.5Å; A149-A153 PolarHBondContact O-N 3.05Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.02Å
154Q63.3Low56.3Low142 Ų14281.2 Ų81.266%0.66452%0.518SS*.Hα-helixtrans-83.2-17.2174.6-72.517084.100113A150 L151 A152A150-Q154 WeakPolarHBondContact O-CG 3.46Å; A150-Q154 PolarHBondContact O-N 3.26Å; A150-Q154 PolarHBondContact O-NE2 3.47Å; L151-Q154 PolarHBondContact O-N 2.92Å; L151-Q154 VanDerWaalsContact O-N 3.12Å; A152-Q154 PolarHBondContact O-N 3.2Å
155L59.7Low55.1Low22 Ų2287.1 Ų87.112%0.11555%0.545CS..Hα-helixtrans-98.8-18.3-179.6-64.8172.1000112.4V106 L151 A152 V191 L199V106-L155 HydrophobicContact CG1-CD1 4.29Å; L151-L155 PolarHBondContact O-N 3.47Å; A152-L155 PolarHBondContact O-N 2.82Å; L155-V191 HydrophobicContact CD2-CG1 4.02Å; L155-L199 HydrophobicContact CD2-CD1 3.91Å
156V53.9Low54.1Low80 Ų8087.5 Ų87.549%0.48555%0.547SS..SBendtrans-74.1121.6168.8176.40000108.2A152 A158A152-V156 WeakPolarHBondContact O-CG2 3.49Å; A152-V156 PolarHBondContact O-N 3.36Å; A152-V156 VanDerWaalsContact O-N 3.08Å; V156-A158 PolarHBondContact O-N 3.35Å
157P50Low53.1Low90 Ų9090.7 Ų90.758%0.58457%0.571SS**PPolyproline II helixtrans-57.7128.8173.922-29.7000109.3
158A45.2Very low52.4Low84 Ų8497.1 Ų97.169%0.69459%0.588SS**PPolyproline II helixtrans-58134.1-179.200000109.6V156 V160V156-A158 PolarHBondContact O-N 3.35Å; A158-V160 PolarHBondContact O-N 3.03Å
159P48.5Very low51.8Low124 Ų12498.8 Ų98.881%0.80560%0.599SS**PPolyproline II helixtrans-58.3118.4175.823.5-31.5000108P161P159-P161 VanDerWaalsContact O-N 3.17Å
160V43.2Very low51.2Low116 Ų116102.1 Ų102.170%0.70362%0.616SS**PPolyproline II helixtrans-52.7123.8177.1174.80000107.3A158 A162A158-V160 PolarHBondContact O-N 3.03Å; V160-A162 PolarHBondContact O-N 3.32Å
161P38.3Very low50.4Low100 Ų100106.4 Ų106.465%0.64964%0.637SS**PPolyproline II helixtrans-60.5120179.422-30.4000108.5P159 A163 A164P159-P161 VanDerWaalsContact O-N 3.17Å; P161-A163 PolarHBondContact O-N 2.96Å; P161-A164 PolarHBondContact O-N 3.44Å
162A46Very low49.2Very low88 Ų88114 Ų11473%0.72767%0.665SS**G310 helixtrans-54.7-2.9-17900000115V160V160-A162 PolarHBondContact O-N 3.32Å
163A44.7Very low48.3Very low89 Ų89120.5 Ų120.574%0.73670%0.696SS**G310 helixtrans-76.2-15.3177.600000114.5P161P161-A163 PolarHBondContact O-N 2.96Å
164A42.4Very low47.9Very low82 Ų82123.7 Ų123.768%0.67870%0.704SS**G310 helixtrans-82.9-12.7178.200000113.9P161 R166P161-A164 PolarHBondContact O-N 3.44Å; A164-R166 PolarHBondContact O-N 2.85Å
165L41.6Very low46.7Very low148 Ų148120 Ų12078%0.77570%0.704SS**  trans-96.950.2179.9-66.2172.3000111.8P167L165-P167 WeakPolarHBondContact O-CD 3.39Å
166R44.2Very low46.1Very low230 Ų230125.4 Ų125.487%0.86874%0.74SS**  trans-74.8112.1162.4-83.5-162.5176.9-178.81.3107.9A164 R168A164-R166 PolarHBondContact O-N 2.85Å; R166-R168 PolarHBondContact O-N 3.44Å
167P44.8Very low46Very low119 Ų119126.6 Ų126.677%0.77376%0.759SS**PPolyproline II helixtrans-69.8121.3175.5016.8000107.3L165L165-P167 WeakPolarHBondContact O-CD 3.39Å
168R50.5Low45.4Very low229 Ų229125.4 Ų125.486%0.86476%0.763SS**PPolyproline II helixtrans-59.2131.4161-176.2176.4179149.7-1.6107.1R166R166-R168 PolarHBondContact O-N 3.44Å
169P48.2Very low45.9Very low109 Ų109127 Ų12771%0.70877%0.766SS**PPolyproline II helixtrans-63.5130.9-17624.1-32.1000110.1
170P51.6Low45.5Very low122 Ų122128.3 Ų128.379%0.79277%0.766SS**PPolyproline II helixtrans-74.2132.4-17828.4-32000110.6
171V48.3Very low45.7Very low135 Ų135127.5 Ų127.582%0.81877%0.772SS**PPolyproline II helixtrans-68.6129.3160.81750000106.5D173V171-D173 PolarHBondContact O-N 3.14Å
172Y41Very low46.2Very low191 Ų191131.5 Ų131.575%0.74978%0.782SS**  trans-74.4114.2-175.9-150.1-92.7000109.4D174Y172-D174 VanDerWaalsContact CE1-CG 3.48Å; Y172-D174 WeakPolarHBondContact CE1-OD1 3.41Å; Y172-D174 WeakPolarHBondContact CE1-OD2 3.47Å
173D45.8Very low46.2Very low159 Ų159136 Ų13685%0.8579%0.788SS**  trans-122.5117.2161.6-115.9-40.2000106.8V171 G175V171-D173 PolarHBondContact O-N 3.14Å; D173-G175 PolarHBondContact O-N 2.91Å
174D53.8Low46.4Very low138 Ų138136.8 Ų136.874%0.73879%0.794SS**  trans-75118.2179.9-93.4-42.3000110.2Y172Y172-D174 VanDerWaalsContact CE1-CG 3.48Å; Y172-D174 WeakPolarHBondContact CE1-OD1 3.41Å; Y172-D174 WeakPolarHBondContact CE1-OD2 3.47Å
175G39.6Very low46.4Very low66 Ų66135.1 Ų135.168%0.6879%0.786SS**  trans-153.7143.1170.800000111D173D173-G175 PolarHBondContact O-N 2.91Å
176P46.4Very low46.8Very low134 Ų134134.2 Ų134.287%0.8778%0.782SS**  trans-76.7146.3-158.630.8-33.9000113.8
177A51.2Low47Very low105 Ų105131.9 Ų131.987%0.86878%0.78SS**  trans-29.8119.9179.900000116.9
178G38.4Very low47.4Very low65 Ų65130 Ų13067%0.6777%0.767SS**  trans-99129.9153.800000109.3D180G178-D180 PolarHBondContact O-N 3.08Å
179P55Low47.7Very low118 Ų118121.7 Ų121.777%0.76674%0.743SS**  trans-94.291.1174.734.9-24.8000108.8
180D39.7Very low48.5Very low151 Ų151123.7 Ų123.781%0.80775%0.747SS**  trans-131.178.4161.9-67.8-50.6000106.9G178 E182G178-D180 PolarHBondContact O-N 3.08Å; D180-E182 VanDerWaalsContact C-N 3.27Å; D180-E182 PolarHBondContact O-N 3.49Å; D180-E182 VanDerWaalsContact O-N 3.08Å
181A48.4Very low49.2Very low99 Ų99119.1 Ų119.182%0.81872%0.717SS**  trans-66.3100.6155.900000104.9E183A181-E183 PolarHBondContact O-N 3.2Å
182E49.1Very low50.6Low185 Ų185116.6 Ų116.686%0.86470%0.699SS**  trans-48.6111170.6-65.6-126.4146.100107.6D180 A184D180-E182 VanDerWaalsContact C-N 3.27Å; D180-E182 PolarHBondContact O-N 3.49Å; D180-E182 VanDerWaalsContact O-N 3.08Å; E182-A184 PolarHBondContact O-N 2.89Å
183E46.3Very low52.1Low181 Ų181111.4 Ų111.485%0.84669%0.689SS**  trans-46.4121.7168.7-171.6154.7-178.700106.3A181 G185A181-E183 PolarHBondContact O-N 3.2Å; E183-G185 PolarHBondContact O-N 2.88Å
184A48Very low53.6Low106 Ų106109.8 Ų109.888%0.87668%0.676SS**  trans-64.972.4166.900000107E182 D186E182-A184 PolarHBondContact O-N 2.89Å; A184-D186 PolarHBondContact O-N 3.48Å
185G41.8Very low54.9Low48 Ų48107 Ų10750%0.49566%0.661SS.*  trans-64.1117.5173.300000106E183 E187E183-G185 PolarHBondContact O-N 2.88Å; G185-E187 VanDerWaalsContact C-N 3.27Å; G185-E187 PolarHBondContact O-N 2.96Å
186D50.7Low56.8Low129 Ų129104.6 Ų104.669%0.6963%0.632SS**  trans-22.190.7152.2-17322.8000110.1A184 T188A184-D186 PolarHBondContact O-N 3.48Å; D186-T188 PolarHBondContact O-N 3.3Å; D186-T188 WeakPolarHBondContact OD2-CG2 3.31Å
187E49.5Very low58.3Low180 Ų180106.1 Ų106.184%0.84162%0.62SS**  trans-70.975.4169.8-87.6-151.413100105.7G185 P189G185-E187 VanDerWaalsContact C-N 3.27Å; G185-E187 PolarHBondContact O-N 2.96Å; E187-P189 VanDerWaalsContact O-CD 3.23Å; E187-P189 WeakPolarHBondContact O-CD 3.49Å; E187-P189 VanDerWaalsContact O-N 3.17Å
188T53.1Low59.6Low79 Ų79108 Ų10849%0.48561%0.606SS.*  trans-58.9117.5163.354.20000105.8D186 D190D186-T188 PolarHBondContact O-N 3.3Å; D186-T188 WeakPolarHBondContact OD2-CG2 3.31Å; T188-D190 VanDerWaalsContact C-N 3.32Å; T188-D190 PolarHBondContact O-N 3.01Å
189P56.8Low61.5Low56 Ų56107 Ų10736%0.36459%0.585SS.*  trans-66101174.726.5-31.3000106.8E187 V191E187-P189 VanDerWaalsContact O-CD 3.23Å; E187-P189 WeakPolarHBondContact O-CD 3.49Å; E187-P189 VanDerWaalsContact O-N 3.17Å; P189-V191 HydrophobicContact CB-CG2 4.26Å; P189-V191 PolarHBondContact O-N 3.1Å
190D63.1Low62.5Low151 Ų151102.7 Ų102.781%0.80756%0.556SS**  trans-74.878.1174.5-161.617.4000107.3T188 D192T188-D190 VanDerWaalsContact C-N 3.32Å; T188-D190 PolarHBondContact O-N 3.01Å; D190-D192 PolarHBondContact O-N 3.14Å
191V66.4Low64.4Low26 Ų2697.4 Ų97.416%0.15854%0.537CS..  trans-70.3119.3-179.8-179.30000108.1L155 P189L155-V191 HydrophobicContact CD2-CG1 4.02Å; P189-V191 HydrophobicContact CB-CG2 4.26Å; P189-V191 PolarHBondContact O-N 3.1Å
192D78.3Confident65.7Low82 Ų8299 Ų9944%0.43952%0.522SS..  trans-54122.8-179.1178.54.7000111.6D190 E194 L195 L196D190-D192 PolarHBondContact O-N 3.14Å; D192-E194 PolarHBondContact O-N 3.3Å; D192-E194 PolarHBondContact OD1-N 3.17Å; D192-L195 HydrophobicContact CB-CB 4.2Å; D192-L195 WeakPolarHBondContact O-CB 3.42Å; D192-L195 PolarHBondContact O-N 2.87Å; D192-L195 VanDerWaalsContact O-N 3.14Å; D192-L196 PolarHBondContact O-N 2.76Å; D192-L196 VanDerWaalsContact O-N 3.1Å
193P72.5Confident66.7Low81 Ų8191.5 Ų91.553%0.52649%0.487SS..Hα-helixtrans-59.3-26178.924.7-36.1000113.4R197P193-R197 WeakPolarHBondContact O-CB 3.39Å; P193-R197 PolarHBondContact O-N 3.23Å
194E78.2Confident67.6Low126 Ų12687 Ų8759%0.58947%0.468SS*.Hα-helixtrans-71.5-41.4176.2-63.7-162.616400112.2D192 L196 R197 Y198D192-E194 PolarHBondContact O-N 3.3Å; D192-E194 PolarHBondContact OD1-N 3.17Å; E194-L196 VanDerWaalsContact C-N 3.32Å; E194-R197 PolarHBondContact O-N 2.66Å; E194-Y198 WeakPolarHBondContact O-CB 3.3Å; E194-Y198 PolarHBondContact O-N 2.88Å
195L80.8Confident68.9Low80 Ų8086.1 Ų86.142%0.41946%0.461SS..Hα-helixtrans-61.2-43.8173.3176.962.4000110.7D192 R197 Y198 L199D192-L195 HydrophobicContact CB-CB 4.2Å; D192-L195 WeakPolarHBondContact O-CB 3.42Å; D192-L195 PolarHBondContact O-N 2.87Å; D192-L195 VanDerWaalsContact O-N 3.14Å; L195-R197 VanDerWaalsContact C-N 3.34Å; L195-R197 PolarHBondContact O-N 2.82Å; L195-Y198 PolarHBondContact O-N 2.77Å; L195-L199 HydrophobicContact CD1-CD1 4.09Å; L195-L199 HydrophobicContact CD1-CG 4.14Å; L195-L199 HydrophobicContact CG-CD1 4.04Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.3Å; L195-L199 PolarHBondContact O-N 2.88Å
196L79.9Confident69.4Low14 Ų1485.6 Ų85.67%0.07346%0.456CS..Hα-helixtrans-59.8-46.3176.8-166.664.6000111.1L110 V113 D192 E194 Y198 L200L110-L196 HydrophobicContact CD2-CD1 3.47Å; L110-L196 VanDerWaalsContact CD2-CD1 3.47Å; L110-L196 HydrophobicContact CD2-CD2 3.78Å; L110-L196 HydrophobicContact CD2-CG 3.59Å; L110-L196 HydrophobicContact CG-CD1 3.96Å; L110-L196 HydrophobicContact CG-CD2 4.08Å; L110-L196 HydrophobicContact CG-CG 4.31Å; V113-L196 HydrophobicContact CG2-CD2 4.49Å; D192-L196 PolarHBondContact O-N 2.76Å; D192-L196 VanDerWaalsContact O-N 3.1Å; E194-L196 VanDerWaalsContact C-N 3.32Å; L196-Y198 PolarHBondContact O-N 3.35Å; L196-L200 WeakPolarHBondContact O-CB 3.33Å; L196-L200 PolarHBondContact O-N 3.15Å
197R77Confident69.5Low166 Ų16684.5 Ų84.563%0.62646%0.458SS*.Hα-helixtrans-63.9-39.7177.6-170.7173.267.7173.2-2.3112.3P193 E194 L195 G201P193-R197 WeakPolarHBondContact O-CB 3.39Å; P193-R197 PolarHBondContact O-N 3.23Å; E194-R197 PolarHBondContact O-N 2.66Å; L195-R197 VanDerWaalsContact C-N 3.34Å; L195-R197 PolarHBondContact O-N 2.82Å; R197-G201 PolarHBondContact O-N 3.43Å
198Y77.9Confident69.4Low145 Ų14579.7 Ų79.757%0.56945%0.449SS*.Hα-helixtrans-64.4-50.1177.5171.5-100.9000112.2E194 L195 L196 L200 G201 R202E194-Y198 WeakPolarHBondContact O-CB 3.3Å; E194-Y198 PolarHBondContact O-N 2.88Å; L195-Y198 PolarHBondContact O-N 2.77Å; L196-Y198 PolarHBondContact O-N 3.35Å; Y198-L200 VanDerWaalsContact C-N 3.27Å; Y198-L200 PolarHBondContact O-N 3.04Å; Y198-G201 PolarHBondContact O-N 3.32Å; Y198-R202 PolarHBondContact O-N 3.21Å
199L79.9Confident69Low45 Ų4581.6 Ų81.624%0.23646%0.456CS..Hα-helixtrans-60.2-40.8178.5-70.4172.4000111L155 L195 R202 I203L155-L199 HydrophobicContact CD2-CD1 3.91Å; L195-L199 HydrophobicContact CD1-CD1 4.09Å; L195-L199 HydrophobicContact CD1-CG 4.14Å; L195-L199 HydrophobicContact CG-CD1 4.04Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.3Å; L195-L199 PolarHBondContact O-N 2.88Å; L199-R202 WeakPolarHBondContact O-CB 3.35Å; L199-R202 PolarHBondContact O-N 2.86Å; L199-I203 VanDerWaalsContact O-CG1 3.27Å; L199-I203 WeakPolarHBondContact O-CG1 3.35Å; L199-I203 PolarHBondContact O-N 2.87Å
200L74.8Confident68.6Low27 Ų2784.8 Ų84.814%0.14148%0.48CS..Hα-helixtrans-64.6-44.2176.6-148.680.4000112.3L110 W114 L196 Y198 R202 I203 L204L110-L200 HydrophobicContact CD2-CD1 3.76Å; W114-L200 HydrophobicContact CD2-CD2 4.5Å; W114-L200 HydrophobicContact CE3-CD2 3.25Å; W114-L200 HydrophobicContact CE3-CG 4.49Å; W114-L200 HydrophobicContact CZ3-CD2 3.36Å; W114-L200 HydrophobicContact CZ3-CG 4.27Å; L196-L200 WeakPolarHBondContact O-CB 3.33Å; L196-L200 PolarHBondContact O-N 3.15Å; Y198-L200 VanDerWaalsContact C-N 3.27Å; Y198-L200 PolarHBondContact O-N 3.04Å; L200-R202 VanDerWaalsContact C-N 3.26Å; L200-R202 PolarHBondContact O-N 3.36Å; L200-I203 PolarHBondContact O-N 2.95Å; L200-L204 HydrophobicContact CD2-CD1 4.49Å; L200-L204 HydrophobicContact CG-CD1 4.23Å; L200-L204 WeakPolarHBondContact O-CB 3.19Å; L200-L204 WeakPolarHBondContact O-CD1 3.31Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.23Å; L200-L204 PolarHBondContact O-N 3.48Å
201G79.3Confident67.6Low40 Ų4085.7 Ų85.741%0.41248%0.48SS..Hα-helixtrans-58.4-39.317500000112.2R197 Y198 A205R197-G201 PolarHBondContact O-N 3.43Å; Y198-G201 PolarHBondContact O-N 3.32Å; G201-A205 VanDerWaalsContact O-CB 3.27Å; G201-A205 WeakPolarHBondContact O-CB 3.33Å; G201-A205 PolarHBondContact O-N 3.45Å
202R76.4Confident66.2Low132 Ų13287.5 Ų87.550%0.49850%0.503SS..Hα-helixtrans-66.8-41.7175.9-170.9178.7-174.6-179.63.2113Y198 L199 L200 L204Y198-R202 PolarHBondContact O-N 3.21Å; L199-R202 WeakPolarHBondContact O-CB 3.35Å; L199-R202 PolarHBondContact O-N 2.86Å; L200-R202 VanDerWaalsContact C-N 3.26Å; L200-R202 PolarHBondContact O-N 3.36Å; R202-L204 VanDerWaalsContact C-N 3.33Å
203I70.7Confident64.5Low27 Ų2790.9 Ų90.914%0.13853%0.527CS..Hα-helixtrans-65.3-39.7178.4-67.6164.8000110.6L141 A144 L146 L151 L199 L200 G206L141-I203 HydrophobicContact CD2-CG2 4.33Å; A144-I203 HydrophobicContact CB-CG2 4.1Å; L146-I203 HydrophobicContact CD1-CG1 4.14Å; L146-I203 HydrophobicContact CD1-CG2 4.44Å; L151-I203 HydrophobicContact CD1-CD1 3.68Å; L199-I203 VanDerWaalsContact O-CG1 3.27Å; L199-I203 WeakPolarHBondContact O-CG1 3.35Å; L199-I203 PolarHBondContact O-N 2.87Å; L200-I203 PolarHBondContact O-N 2.95Å; I203-G206 PolarHBondContact O-N 3.27Å
204L65.3Low62.9Low86 Ų8691.2 Ų91.245%0.4554%0.536SS..Hα-helixtrans-79.2-30-177.4-67.7166000113.8W114 A140 L200 R202 G206W114-L204 HydrophobicContact CH2-CD1 3.25Å; W114-L204 HydrophobicContact CH2-CD2 4.47Å; W114-L204 HydrophobicContact CH2-CG 4.48Å; W114-L204 HydrophobicContact CZ2-CD1 4.5Å; W114-L204 HydrophobicContact CZ3-CD1 3.34Å; A140-L204 HydrophobicContact CB-CD2 4.02Å; L200-L204 HydrophobicContact CD2-CD1 4.49Å; L200-L204 HydrophobicContact CG-CD1 4.23Å; L200-L204 WeakPolarHBondContact O-CB 3.19Å; L200-L204 WeakPolarHBondContact O-CD1 3.31Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.23Å; L200-L204 PolarHBondContact O-N 3.48Å; R202-L204 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 2.87Å
205A74.9Confident60.9Low88 Ų8889.5 Ų89.573%0.72754%0.543SS*.THydrogen-bonded Turntrans-66.6-11.6170.800000112.6G201G201-A205 VanDerWaalsContact O-CB 3.27Å; G201-A205 WeakPolarHBondContact O-CB 3.33Å; G201-A205 PolarHBondContact O-N 3.45Å
206G51.4Low59Low37 Ų3792.1 Ų92.138%0.38157%0.565SS.*  trans76.4133.7-17200000110I203 L204 A208I203-G206 PolarHBondContact O-N 3.27Å; L204-G206 PolarHBondContact O-N 2.87Å; G206-A208 PolarHBondContact O-N 3.26Å
207S54.4Low57.5Low107 Ų107101.8 Ų101.875%0.74860%0.601SS**SBendtrans-65.479178.849.90000112.8
208A46.6Very low55.8Low78 Ų78104.2 Ų104.265%0.64561%0.61SS**  trans-131.792.9150.500000103.2G206G206-A208 PolarHBondContact O-N 3.26Å
209D45.3Very low54Low119 Ų119105.8 Ų105.864%0.63663%0.627SS**  -143.4109.277.7-63.9-48.8000111.5E211D209-E211 HydrophobicContact CB-CB 4.45Å; D209-E211 HydrophobicContact CB-CG 4.49Å
210S48.3Very low51.9Low124 Ų124115.7 Ų115.787%0.86766%0.661SS**  trans-88.472.9135.2-730000106.2G212S210-G212 VanDerWaalsContact C-N 3.31Å; S210-G212 PolarHBondContact O-N 3.15Å
211E40.7Very low50.1Low170 Ų170126 Ų12679%0.79470%0.699SS**  trans-68.4102160.8-95.9-14814400106.6D209D209-E211 HydrophobicContact CB-CB 4.45Å; D209-E211 HydrophobicContact CB-CG 4.49Å
212G36.8Very low47.8Very low63 Ų63128.9 Ų128.965%0.64972%0.718SS**  trans-52.2139160.600000109.4S210 A214S210-G212 VanDerWaalsContact C-N 3.31Å; S210-G212 PolarHBondContact O-N 3.15Å; G212-A214 PolarHBondContact O-N 3.1Å
213V43.6Very low45.7Very low154 Ų154127.3 Ų127.393%0.93373%0.734SS**SBendtrans-42104.6159.8175.30000109.6
214A38.8Very low44.1Very low88 Ų88133.2 Ų133.273%0.72777%0.765SS**  trans-176.492.4151.300000113G212G212-A214 PolarHBondContact O-N 3.1Å
215A35.6Very low42.7Very low89 Ų89138.5 Ų138.574%0.73679%0.788SS**  trans66.6140139.400000121.1R217A215-R217 PolarHBondContact O-N 3.04Å
216P41.1Very low40.9Very low135 Ų135141.6 Ų141.688%0.87779%0.792SS**  trans-69.7130.4178.830.4-33000110.9
217R48Very low40.2Very low218 Ų218147.1 Ų147.182%0.82382%0.818SS**  trans-84.4129.7-176-94176.8176.4160.30.7112.7A215A215-R217 PolarHBondContact O-N 3.04Å
218R42.4Very low39.1Very low216 Ų216145 Ų14582%0.81581%0.813SS**  trans92.6110.4142-66.3170.2-173.8-83.11119.1
219L39.1Very low38.6Very low178 Ų178146.8 Ų146.893%0.93282%0.821SS**  -161.990.9127.1-112160.5000110.8
220R35.6Very low38.1Very low254 Ų254147.6 Ų147.696%0.95883%0.825SS**  trans-162.5124.6146.2-130.5175.4-178.21650.5110.9
221R38.8Very low38.3Very low244 Ų244147.3 Ų147.392%0.92182%0.818SS**  trans-104.4153.3173-157.8-177.2-147.5156.44.9107.4
222A30.6Very low38.9Very low99 Ų99143.1 Ų143.182%0.81881%0.806SS**  trans86.1110.6168.500000117
223A32.5Very low39.8Very low100 Ų100146.1 Ų146.183%0.82681%0.813SS**  173.6149.790.100000109.8
224D35.3Very low40.3Very low150 Ų150147.2 Ų147.280%0.80281%0.808SS**  trans-39.5140.4176.7-69.9-51.3000116
225Q35.9Very low41.2Very low198 Ų198146 Ų14693%0.92581%0.805SS**  trans-161.8101.6130.7-109.8165.671.100110.5
226D38.4Very low41.9Very low152 Ų152147.5 Ų147.581%0.81381%0.805SS**  trans-74.8165.1157.1-100.7-33.7000110.8
227V37.2Very low42.3Very low153 Ų153149.8 Ų149.893%0.92781%0.808SS**  trans86.6121.9173.9-164.40000113.5
228G30.3Very low42.4Very low63 Ų63143 Ų14365%0.64981%0.806SS**  cis161.7169.28.100000108.8
229S36.9Very low43.1Very low116 Ų116136.7 Ų136.781%0.81180%0.8SS**  trans68.9143.8172.3-101.40000116.5
230D34.3Very low43.8Very low135 Ų135135.8 Ų135.872%0.72280%0.795SS**  cis-173.1151.7-1.2-141.9-37.6000106.3
231V52Low44.9Very low119 Ų119130.8 Ų130.872%0.72179%0.787SS**  trans73.9129163.8-164.30000119.5
232P53.6Low45.8Very low82 Ų82130.9 Ų130.953%0.53279%0.787SS.*  trans-84.9146171.534.7-32.4000111.8E234P232-E234 VanDerWaalsContact C-N 3.28Å; P232-E234 PolarHBondContact O-N 3.29Å
233P55Low46.3Very low125 Ų125131.5 Ų131.581%0.81278%0.781SS**  trans-76.784.1165.430.2-30.9000110.1G235P233-G235 PolarHBondContact O-N 2.97Å
234E55Low47.2Very low177 Ų177136.3 Ų136.383%0.82778%0.783SS**THydrogen-bonded Turntrans-63.187.9153.6-87.6145.515200108.9P232P232-E234 VanDerWaalsContact C-N 3.28Å; P232-E234 PolarHBondContact O-N 3.29Å
235G57.1Low47.9Very low63 Ų63139.6 Ų139.665%0.64978%0.784SS**THydrogen-bonded Turntrans-166.1-4.3-178.600000118P233P233-G235 PolarHBondContact O-N 2.97Å
236V51.5Low48.1Very low121 Ų121138.4 Ų138.473%0.73378%0.783SS**SBendtrans-127.7-8.6-173.8-167.50000114.2
237L48.5Very low48.5Very low182 Ų182139.7 Ų139.795%0.95378%0.784SS**SBendtrans-98.814.1175.7-77166.6000114.3
238G51Low48.4Very low75 Ų75138.7 Ų138.777%0.77378%0.779SS**SBendtrans-104.9-9.2175.400000115
239A57.3Low49.2Very low84 Ų84141.7 Ų141.769%0.69479%0.787SS**SBendtrans-99.3-3.7-167.700000115.3
240L52.5Low49.5Very low159 Ų159140 Ų14083%0.83278%0.779SS**SBendtrans-12625.6-173.9-73171.3000115.1
241L58.5Low50Low150 Ų150139.4 Ų139.479%0.78578%0.783SS**  trans-13158.2169.6-71.2173.5000111.8V243L241-V243 HydrophobicContact CD2-CG2 4.44Å
242R57.9Low49.7Very low246 Ų246143 Ų14393%0.92879%0.792SS**  trans-97.670.1152.2-69.1-167.1179.7-168.81.1108.6K244R242-K244 VanDerWaalsContact C-N 3.26Å; R242-K244 PolarHBondContact O-N 2.84Å
243V41.4Very low49.3Very low112 Ų112145.2 Ų145.268%0.67980%0.804SS**  trans-65.297.3159.5176.20000105.6L241 R245L241-V243 HydrophobicContact CD2-CG2 4.44Å; V243-R245 HydrophobicContact CG1-CG 4.29Å; V243-R245 PolarHBondContact O-N 2.69Å
244K52.3Low49Very low200 Ų200144.6 Ų144.687%0.8780%0.8SS**  trans-66.482.6172-161.3-171.8-174.8-172.40107R242 L246R242-K244 VanDerWaalsContact C-N 3.26Å; R242-K244 PolarHBondContact O-N 2.84Å; K244-L246 PolarHBondContact O-N 3.46Å; K244-L246 VanDerWaalsContact O-N 3.1Å
245R48.9Very low48.2Very low220 Ų220140.9 Ų140.983%0.8380%0.8SS**  trans-59114.7165.5-80.1-169171.9-113.70.4106.2V243 E247V243-R245 HydrophobicContact CG1-CG 4.29Å; V243-R245 PolarHBondContact O-N 2.69Å; R245-E247 VanDerWaalsContact C-N 3.29Å; R245-E247 PolarHBondContact O-N 3.18Å
246L41.5Very low47.7Very low173 Ų173149.4 Ų149.491%0.90681%0.812SS**  trans-59.298160.4-92124.8000106.9K244 T248K244-L246 PolarHBondContact O-N 3.46Å; K244-L246 VanDerWaalsContact O-N 3.1Å; L246-T248 PolarHBondContact O-N 2.74Å
247E44.8Very low47.6Very low179 Ų179154.9 Ų154.984%0.83682%0.82SS**  trans-71.1110161-83.4176.6147.700107.6R245R245-E247 VanDerWaalsContact C-N 3.29Å; R245-E247 PolarHBondContact O-N 3.18Å
248T35.3Very low47.2Very low131 Ų131154.7 Ų154.780%0.80482%0.819SS**PPolyproline II helixtrans-60.3122.4160.33.30000108.1L246 A250L246-T248 PolarHBondContact O-N 2.74Å; T248-A250 PolarHBondContact O-N 2.99Å; T248-A250 VanDerWaalsContact O-N 3.17Å
249P47.5Very low47Very low126 Ų126158.9 Ų158.982%0.81882%0.822SS**PPolyproline II helixtrans-70.4116.7176.326.6-31.1000109.6
250A43.7Very low46.6Very low80 Ų80160 Ų16066%0.66182%0.823SS**PPolyproline II helixtrans-65.414316600000110T248 Q252T248-A250 PolarHBondContact O-N 2.99Å; T248-A250 VanDerWaalsContact O-N 3.17Å; A250-Q252 PolarHBondContact O-N 2.85Å
251P45.4Very low46.6Very low123 Ų123162 Ų16280%0.79985%0.845SS**PPolyproline II helixtrans-67122.8-179.526.2-31.4000110.3V253P251-V253 PolarHBondContact O-N 2.84Å
252Q44.5Very low46Very low194 Ų194162.6 Ų162.691%0.90785%0.848SS**  trans-69.5111.4176.9-60.2176.427.100109.4A250A250-Q252 PolarHBondContact O-N 2.85Å
253V46.3Very low45.4Very low129 Ų129158.2 Ų158.278%0.78284%0.843SS**  trans-99.9118.5163.1-179.50000107.3P251 A255P251-V253 PolarHBondContact O-N 2.84Å; V253-A255 PolarHBondContact O-N 3.27Å
254P47.7Very low45.6Very low113 Ų113160.7 Ų160.773%0.73485%0.853SS**  trans-77.1108.7179.928.5-30.5000110.2R256P254-R256 VanDerWaalsContact C-N 3.35Å; P254-R256 PolarHBondContact O-N 3.43Å
255A38.9Very low45.2Very low99 Ų99158.4 Ų158.482%0.81885%0.852SS**  trans-71.388.5166.500000109.9V253 R257V253-A255 PolarHBondContact O-N 3.27Å; A255-R257 PolarHBondContact O-N 2.68Å
256R47.3Very low44.9Very low241 Ų241154.6 Ų154.691%0.90985%0.853SS**  trans-75.6108.5157.2-80.4-175.4169.7177.4-2.3107.8P254P254-R256 VanDerWaalsContact C-N 3.35Å; P254-R256 PolarHBondContact O-N 3.43Å
257R48.3Very low45.2Very low237 Ų237153.3 Ų153.389%0.89485%0.849SS**  trans-62.3133.7161-75.8-176.5175.7-172.5-1108.7A255A255-R257 PolarHBondContact O-N 2.68Å
258L40.9Very low45.2Very low178 Ų178151.5 Ų151.593%0.93285%0.85SS**  -178.6151.6125.4-88.9164.5000109.6
259L46.6Very low46Very low163 Ų163153.1 Ų153.185%0.85385%0.854SS**  trans-87.2-175.2-158.6-115149.6000112.7
260P47.7Very low45.8Very low107 Ų107155.3 Ų155.370%0.69586%0.857SS**  trans-88.6-167.3-140.945.1-28.6000112.6
261P52.8Low46Very low200 Ų200162.2 Ų162.2100%1.29988%0.875SS**  cis-109.100.841.4-30.8000116.2

Retrieved 261 of 261 residues in 643.6 ms (Link to these results)