G4VKD6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VKD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 232 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low55.3Low249 Ų249164.9 Ų164.9100%1.22786%0.855SS**  0124.60-70174.2-167.100107.5
2K48.9Very low55.2Low208 Ų208162.4 Ų162.490%0.90484%0.842SS**  trans-97116.9179.9-71.8178.2175.51800108.8
3S59.8Low54.7Low114 Ų114162.2 Ų162.280%0.79784%0.835SS**  trans-89.1118.2170.2500000109.9
4I59Low54.4Low152 Ų152167 Ų16778%0.77984%0.837SS**  trans-90.3106.2176.8-60163.2000106.9
5L63.9Low54.5Low153 Ų153162.8 Ų162.880%0.80183%0.829SS**  trans-95.4115.7168.8-88.4152.7000109.1
6K61.9Low54Low184 Ų184163 Ų16380%0.883%0.833SS**  trans-111.891-172-164.9168.6-171.3172.50107.6
7N61.7Low53.6Low150 Ų150160.1 Ų160.180%0.80283%0.831SS**  trans-94.5120.7175-77-18.7000110.4
8R54.4Low53.7Low241 Ų241160.4 Ų160.491%0.90983%0.833SS**  trans-74.6119.3-176.8-64.5173.2-167.4169.23.5109.6A10R8-A10 PolarHBondContact O-N 3.4Å
9C48.6Very low53.2Low130 Ų130159.1 Ų159.188%0.87883%0.827SS**  trans-70.1113.4162.4-68.70000109.3N11C9-N11 PolarHBondContact O-N 2.79Å
10A51.9Low53.2Low91 Ų91156.9 Ų156.975%0.75282%0.821SS**  trans-73.4109.3168.900000109.1R8 I12R8-A10 PolarHBondContact O-N 3.4Å; A10-I12 PolarHBondContact O-N 3.28Å
11N54.7Low53Low142 Ų142158.1 Ų158.176%0.75982%0.82SS**  trans-76.9102.2175.6-163.6-0.4000108.7C9 Q13C9-N11 PolarHBondContact O-N 2.79Å; N11-Q13 PolarHBondContact O-N 3.17Å
12I53.6Low53.4Low135 Ų135155 Ų15569%0.69280%0.802SS**  trans-90.591.6174.7-58.1176.9000107.9A10 R14A10-I12 PolarHBondContact O-N 3.28Å; I12-R14 HydrophobicContact CG2-CG 4.24Å; I12-R14 PolarHBondContact O-N 2.76Å
13Q48.8Very low53.4Low160 Ų160153.6 Ų153.675%0.74880%0.798SS**  trans-63.9120.7162.5-76.8179.7-23.300108.9N11N11-Q13 PolarHBondContact O-N 3.17Å
14R50.7Low52.8Low229 Ų229154.1 Ų154.186%0.86480%0.797SS**  trans-105.399.2165.1-71-175177.7171.9-0.2108.4I12I12-R14 HydrophobicContact CG2-CG 4.24Å; I12-R14 PolarHBondContact O-N 2.76Å
15S56Low52.5Low104 Ų104153.5 Ų153.573%0.72780%0.796SS**  trans-82.1125.6171.3-36.40000109.3
16N45.7Very low51.8Low166 Ų166155 Ų15589%0.88880%0.799SS**  trans-110.3108.6166.3-78.9-13.5000108.7
17S48Very low51.3Low114 Ų114151.3 Ų151.380%0.79780%0.796SS**  trans-148.7117.4158.172.30000109.7
18L54.8Low50.8Low166 Ų166150.2 Ų150.287%0.86979%0.794SS**  trans-123100.6164.8-106.3159.3000106.6T20L18-T20 HydrophobicContact CD2-CG2 4Å
19D45.2Very low50.8Low135 Ų135146.6 Ų146.672%0.72279%0.793SS**  trans-96.3119.7167.1-170.311.3000106.3
20T52.6Low51Low115 Ų115147.7 Ų147.771%0.70679%0.785SS**  trans-134.885173.757.70000109.5L18L18-T20 HydrophobicContact CD2-CG2 4Å
21K48.2Very low50.8Low183 Ų183151.3 Ų151.380%0.79679%0.786SS**  trans-85.4108.1155.1-68.3-178.9-179175.70108.1
22H52.5Low50.8Low182 Ų182151.2 Ų151.284%0.84379%0.786SS**  trans-136.6105.6158.2-87.1-66.7000109.5
23Q48.5Very low50.9Low179 Ų179150.5 Ų150.584%0.83678%0.784SS**  trans-70.4141.3153.2-69.9172.6-26.200108.3
24T49.2Very low50.9Low126 Ų126148.9 Ų148.977%0.77378%0.78SS**  trans169.3108.4133.738.60000110.4
25N51.1Low51.1Low139 Ų139145.5 Ų145.574%0.74378%0.779SS**  30.5122.2126.6-48.9-12.6000117.5
26E50.9Low50.7Low185 Ų185150.5 Ų150.586%0.86478%0.782SS**  74.5120.998.1-157.8172.6-14700110.2
27S51.3Low51.1Low106 Ų106150.1 Ų150.174%0.74178%0.778SS**  cis-166.615537.647.70000111.6
28V49.5Very low51Low126 Ų126151 Ų15176%0.76477%0.77SS**  trans-3.9131.4145.1-171.70000118.8
29D55.4Low50.7Low165 Ų165146.9 Ų146.988%0.88276%0.76SS**  -159.1139.8129.4-136.5-10.1000110.5
30E52.5Low51Low153 Ų153148 Ų14872%0.71576%0.76SS**  trans-98.5161.4-168.3-57.6-142153.300114.1
31E48.4Very low50.8Low168 Ų168151.3 Ų151.379%0.78577%0.765SS**  trans61.791.7161.6-53.9-58.2155.300117.4
32D54.9Low51.2Low140 Ų140146.9 Ų146.975%0.74976%0.757SS**  trans-154120.9147.4-146.39000111.4
33D55Low51.6Low120 Ų120146.9 Ų146.964%0.64276%0.755SS**  trans58.3112.5142.2-73.8-12.4000121.7
34N48.9Very low52.2Low125 Ų125144.2 Ų144.267%0.66874%0.74SS**SBend64.2126126-58-48.2000119.1R36N34-R36 PolarHBondContact O-N 2.92Å
35D54.4Low53.1Low159 Ų159147.3 Ų147.385%0.8574%0.743SS**  trans64.729.2157.1-55.6-24.4000118.4I37D35-I37 PolarHBondContact O-N 3.11Å
36R48.1Very low53.6Low208 Ų208148.1 Ų148.179%0.78574%0.736SS**  trans-77.192.7171.4-168.3164.1156.2-173.5-13.5110.7N34 E38N34-R36 PolarHBondContact O-N 2.92Å; R36-E38 HydrophobicContact CG-CG 4.36Å; R36-E38 IonicContact NH2-OE1 3.88Å; R36-E38 PolarHBondContact O-N 2.92Å
37I53.4Low54.3Low158 Ų158142 Ų14281%0.8172%0.717SS**  trans-52.394.6155.2-61.6169.3000106.5D35 A39D35-I37 PolarHBondContact O-N 3.11Å; I37-A39 PolarHBondContact O-N 2.79Å
38E46.3Very low55.1Low134 Ų134144 Ų14463%0.62671%0.712SS**  trans-68.986.6166.4-77.4-156.4138.900107.4R36 E40R36-E38 HydrophobicContact CG-CG 4.36Å; R36-E38 IonicContact NH2-OE1 3.88Å; R36-E38 PolarHBondContact O-N 2.92Å; E38-E40 PolarHBondContact O-N 2.93Å
39A49.1Very low56.1Low79 Ų79142.8 Ų142.865%0.65370%0.701SS**  trans-59.580.9139.600000106.4I37 K41I37-A39 PolarHBondContact O-N 2.79Å; A39-K41 PolarHBondContact O-N 3.26Å
40E50.3Low57.1Low157 Ų157143.5 Ų143.573%0.73469%0.691SS**  trans-53.893.5154.5-92.3-164.813600105.1E38 S42E38-E40 PolarHBondContact O-N 2.93Å; E40-S42 PolarHBondContact O-N 3.07Å
41K49.7Very low58.2Low185 Ų185138 Ų13880%0.80467%0.666SS**  trans-61.883.6157.7-68.2178.1-179174.90103.9A39 K43A39-K41 PolarHBondContact O-N 3.26Å; K41-K43 PolarHBondContact O-N 3.22Å
42S55.8Low59.9Low91 Ų91139 Ų13964%0.63667%0.671SS**  trans-52.498.2163260000104.4E40 K44E40-S42 PolarHBondContact O-N 3.07Å; S42-K44 PolarHBondContact O-N 2.8Å
43K61.4Low61.1Low182 Ų182138.5 Ų138.579%0.79167%0.668SS**  trans-64.889.3174.5-71.1176.1-177.5172.50103.7K41 K45K41-K43 PolarHBondContact O-N 3.22Å; K43-K45 PolarHBondContact O-N 2.95Å
44K60.9Low62.1Low122 Ų122134.6 Ų134.653%0.5366%0.657SS.*  trans-57.392174.9-70-172.9174.6-163.30106.9S42 R46 D64S42-K44 PolarHBondContact O-N 2.8Å; K44-R46 PolarHBondContact O-N 3.04Å; K44-D64 WeakPolarHBondContact CE-OD2 3.47Å; K44-D64 IonicContact NZ-OD2 2.64Å; K44-D64 PolarHBondContact NZ-OD2 2.97Å
45K67.1Low63.5Low191 Ų191132.4 Ų132.483%0.8365%0.647SS**  trans-76.5106.2173-73.3-178.4-179.4176.70105K43 A47K43-K45 PolarHBondContact O-N 2.95Å; K45-A47 PolarHBondContact O-N 3.03Å
46R62.7Low64.5Low157 Ų157128.1 Ų128.159%0.59263%0.629SS**PPolyproline II helixtrans-58.9120.9163.6-83.6-179.6161.6-161.9-7.1107.4K44 F48 L61K44-R46 PolarHBondContact O-N 3.04Å; R46-F48 PolarHBondContact O-N 3.2Å; R46-L61 HydrophobicContact CG-CD1 4.47Å
47A66.2Low65.4Low57 Ų57125.5 Ų125.547%0.47162%0.619SS.*PPolyproline II helixtrans-60.813316500000107.7K45 G59K45-A47 PolarHBondContact O-N 3.03Å; A47-G59 WeakPolarHBondContact O-CA 3.43Å; A47-G59 PolarHBondContact O-N 3.37Å
48F68.1Low66.4Low146 Ų146122.2 Ų122.264%0.6461%0.608SS**EExtended strand (participates in β ladder)trans-100.2116.4165.5-75.2-85.5000106.5R46 C56R46-F48 PolarHBondContact O-N 3.2Å; F48-C56 HydrophobicContact CD1-CB 4.35Å
49I70.4Confident67.3Low101 Ų101116.3 Ų116.352%0.51858%0.583SS.*EExtended strand (participates in β ladder)trans-90.4124.1176.6-57.4173.3000106.5C56 R57I49-C56 WeakPolarHBondContact O-CA 3.15Å; I49-R57 PolarHBondContact N-O 2.89Å; I49-R57 VanDerWaalsContact N-O 3.14Å; I49-R57 PolarHBondContact O-N 3.3Å
50R74.7Confident68Low181 Ų181121 Ų12168%0.68359%0.592SS**EExtended strand (participates in β ladder)trans-92124.9174.2-169.4-179.1-73.9-164.40.6107.9
51D76.6Confident68.5Low36 Ų36118 Ų11819%0.19358%0.58CS.*PPolyproline II helixtrans-75.8172.7173.465.819.6000111.9N53 G54 V55 R57D51-N53 PolarHBondContact O-N 2.78Å; D51-N53 VanDerWaalsContact O-N 3.08Å; D51-N53 WeakPolarHBondContact OD1-CA 3.36Å; D51-N53 WeakPolarHBondContact OD1-CB 3.5Å; D51-N53 PolarHBondContact OD1-N 3.3Å; D51-N53 VanDerWaalsContact OD1-N 3.12Å; D51-G54 PolarHBondContact O-N 3.35Å; D51-G54 PolarHBondContact OD1-N 3.09Å; D51-G54 VanDerWaalsContact OD1-N 3.15Å; D51-V55 PolarHBondContact N-O 3.32Å; D51-V55 WeakPolarHBondContact OD1-CA 3.45Å; D51-V55 WeakPolarHBondContact OD1-CB 3.44Å; D51-V55 PolarHBondContact OD1-N 3.34Å; D51-V55 WeakPolarHBondContact OD2-CB 3.46Å; D51-R57 IonicContact OD2-CZ 3.54Å; D51-R57 IonicContact OD2-NE 3.35Å; D51-R57 PolarHBondContact OD2-NE 2.76Å; D51-R57 IonicContact OD2-NH2 2.98Å; D51-R57 PolarHBondContact OD2-NH2 2.94Å
52E83.2Confident69.2Low189 Ų189116.1 Ų116.188%0.88358%0.579SS**THydrogen-bonded Turntrans-56-21.2177.257.3-175.9-177.300113.6
53N81.3Confident69.4Low130 Ų130120.3 Ų120.370%0.69559%0.588SS**THydrogen-bonded Turntrans-94.63.1178.1-63-10.5000112.8D51 V55D51-N53 PolarHBondContact O-N 2.78Å; D51-N53 VanDerWaalsContact O-N 3.08Å; D51-N53 WeakPolarHBondContact OD1-CA 3.36Å; D51-N53 WeakPolarHBondContact OD1-CB 3.5Å; D51-N53 PolarHBondContact OD1-N 3.3Å; D51-N53 VanDerWaalsContact OD1-N 3.12Å; N53-V55 HydrophobicContact CB-CG2 4.49Å
54G76.4Confident69.2Low38 Ų38115.1 Ų115.139%0.39257%0.569SS.*SBendtrans82.85.4179.100000115.1D51 C56D51-G54 PolarHBondContact O-N 3.35Å; D51-G54 PolarHBondContact OD1-N 3.09Å; D51-G54 VanDerWaalsContact OD1-N 3.15Å; G54-C56 PolarHBondContact O-N 2.82Å
55V78Confident69.2Low79 Ų79116.3 Ų116.348%0.47959%0.587SS.*  trans-81.4120.3-178.9-175.90000109.5D51 N53 R57D51-V55 PolarHBondContact N-O 3.32Å; D51-V55 WeakPolarHBondContact OD1-CA 3.45Å; D51-V55 WeakPolarHBondContact OD1-CB 3.44Å; D51-V55 PolarHBondContact OD1-N 3.34Å; D51-V55 WeakPolarHBondContact OD2-CB 3.46Å; N53-V55 HydrophobicContact CB-CG2 4.49Å; V55-R57 PolarHBondContact O-N 3.24Å
56C74.5Confident68.8Low69 Ų69114.2 Ų114.247%0.46659%0.585SS.*EExtended strand (participates in β ladder)trans-75.6112173.5-64.90000109.7F48 I49 G54F48-C56 HydrophobicContact CD1-CB 4.35Å; I49-C56 WeakPolarHBondContact O-CA 3.15Å; G54-C56 PolarHBondContact O-N 2.82Å
57R68.5Low68.5Low154 Ų154111.3 Ų111.358%0.58158%0.579SS**EExtended strand (participates in β ladder)trans-96.6146.6169.7-59.4-171.3-169.5-177.85.4109.4I49 D51 V55 G59I49-R57 PolarHBondContact N-O 2.89Å; I49-R57 VanDerWaalsContact N-O 3.14Å; I49-R57 PolarHBondContact O-N 3.3Å; D51-R57 IonicContact OD2-CZ 3.54Å; D51-R57 IonicContact OD2-NE 3.35Å; D51-R57 PolarHBondContact OD2-NE 2.76Å; D51-R57 IonicContact OD2-NH2 2.98Å; D51-R57 PolarHBondContact OD2-NH2 2.94Å; V55-R57 PolarHBondContact O-N 3.24Å; R57-G59 PolarHBondContact O-N 2.86Å
58P72.6Confident68.1Low89 Ų89113.6 Ų113.658%0.57859%0.592SS**EExtended strand (participates in β ladder)trans-55115.4167.8-18.931.1000107.7
59G67Low67.6Low9 Ų9115.8 Ų115.89%0.09360%0.601CS.*PPolyproline II helixtrans-63.9153.9173.700000109.9A47 R57 L61A47-G59 WeakPolarHBondContact O-CA 3.43Å; A47-G59 PolarHBondContact O-N 3.37Å; R57-G59 PolarHBondContact O-N 2.86Å; G59-L61 PolarHBondContact O-N 3.41Å
60E62.6Low67.1Low178 Ų178117.6 Ų117.683%0.83261%0.612SS**PPolyproline II helixtrans-55.5136.3170.6-65.6-179.4174.800108.6D62E60-D62 PolarHBondContact O-N 3.17Å
61L62Low66.1Low95 Ų95113.5 Ų113.550%0.49760%0.6SS.*PPolyproline II helixtrans-72.7117.9175.8-170.490000105.6R46 G59 E63R46-L61 HydrophobicContact CG-CD1 4.47Å; G59-L61 PolarHBondContact O-N 3.41Å; L61-E63 PolarHBondContact O-N 3.3Å
62D62.6Low65Low145 Ų145120.2 Ų120.278%0.77563%0.63SS**PPolyproline II helixtrans-50.1116.7167.6-70.7-24.6000107.3E60 D64E60-D62 PolarHBondContact O-N 3.17Å; D62-D64 PolarHBondContact O-N 3.41Å
63E61.6Low63.6Low178 Ų178115.7 Ų115.783%0.83262%0.62SS**  trans-65.6108.6179.2-67.7-175.5169.100107.3L61 T65L61-E63 PolarHBondContact O-N 3.3Å; E63-T65 PolarHBondContact O-N 3.18Å
64D57.2Low62.3Low73 Ų73118.7 Ų118.739%0.3962%0.621SS.*  trans-53.9115172-68.2-42.7000107.3K44 D62 N66 M67K44-D64 WeakPolarHBondContact CE-OD2 3.47Å; K44-D64 IonicContact NZ-OD2 2.64Å; K44-D64 PolarHBondContact NZ-OD2 2.97Å; D62-D64 PolarHBondContact O-N 3.41Å; D64-N66 PolarHBondContact O-N 3.47Å; D64-M67 HydrophobicContact CB-CG 4.22Å; D64-M67 WeakPolarHBondContact O-CG 3.36Å; D64-M67 PolarHBondContact O-N 2.89Å
65T61.2Low61.1Low147 Ų147119.7 Ų119.790%0.90262%0.622SS**THydrogen-bonded Turntrans-62.95.2177.7-30.10000112.6E63E63-T65 PolarHBondContact O-N 3.18Å
66N57.8Low60Low147 Ų147118.1 Ų118.179%0.78662%0.615SS**THydrogen-bonded Turntrans-110.815.8-177-107.5-26000114.5D64 S68D64-N66 PolarHBondContact O-N 3.47Å; N66-S68 PolarHBondContact O-N 3.2Å; N66-S68 VanDerWaalsContact O-N 3.17Å
67M56.3Low59.3Low96 Ų96118.6 Ų118.647%0.47362%0.616SS.*  trans-76.86.6178-60.2-73.9-83.400114.4D64 K69 H71D64-M67 HydrophobicContact CB-CG 4.22Å; D64-M67 WeakPolarHBondContact O-CG 3.36Å; D64-M67 PolarHBondContact O-N 2.89Å; M67-K69 VanDerWaalsContact C-N 3.26Å; M67-K69 PolarHBondContact O-N 3.29Å; M67-H71 VanDerWaalsContact CB-CD2 3.49Å; M67-H71 WeakPolarHBondContact CB-CD2 3.28Å; M67-H71 WeakPolarHBondContact CB-NE2 3.5Å; M67-H71 PolarHBondContact O-CD2 3.44Å
68S57.4Low59Low106 Ų106116 Ų11674%0.74162%0.616SS**THydrogen-bonded Turntrans-70.1-0.5-165.7620000117.4N66N66-S68 PolarHBondContact O-N 3.2Å; N66-S68 VanDerWaalsContact O-N 3.17Å
69K58.9Low58.5Low191 Ų191116 Ų11683%0.8361%0.612SS**THydrogen-bonded Turntrans-118.6-11-174-110.5176179.8175.30117.7M67M67-K69 VanDerWaalsContact C-N 3.26Å; M67-K69 PolarHBondContact O-N 3.29Å
70N58.5Low58.4Low140 Ų140122.6 Ų122.675%0.74963%0.634SS**SBendtrans-128.211.9-174.8-68.3-33.3000114.3
71H54.9Low58.8Low94 Ų94116.5 Ų116.544%0.43561%0.609SS.*  trans-81.6-18.5-178.3-89-59.9000115M67 S73 R74 S75M67-H71 VanDerWaalsContact CB-CD2 3.49Å; M67-H71 WeakPolarHBondContact CB-CD2 3.28Å; M67-H71 WeakPolarHBondContact CB-NE2 3.5Å; M67-H71 PolarHBondContact O-CD2 3.44Å; H71-S73 VanDerWaalsContact C-N 3.33Å; H71-S73 PolarHBondContact O-N 3.12Å; H71-R74 PolarHBondContact O-N 3.47Å; H71-S75 PolarHBondContact O-N 3.35Å
72E52.2Low59.2Low177 Ų177114 Ų11483%0.82760%0.601SS**Hα-helixtrans-64-37.8-172.1-157.8151.9-155.600112.4S76E72-S76 WeakPolarHBondContact O-CB 3.3Å
73S54.7Low59.3Low94 Ų94109.7 Ų109.766%0.65759%0.586SS**Hα-helixtrans-79.6-24.8178.3-41.10000113.8H71H71-S73 VanDerWaalsContact C-N 3.33Å; H71-S73 PolarHBondContact O-N 3.12Å
74R52.8Low59.6Low193 Ų193107 Ų10773%0.72857%0.574SS**Hα-helixtrans-88-33.5-177.7-68.2-176.970.1126.2-0.2112.6H71 V78H71-R74 PolarHBondContact O-N 3.47Å; R74-V78 WeakPolarHBondContact O-CG2 3.29Å
75S52.1Low60.3Low60 Ų60111.1 Ų111.142%0.4258%0.584SS.*Hα-helixtrans-63-46.5170.8-157.80000110.1H71 V77 V78 D79H71-S75 PolarHBondContact O-N 3.35Å; S75-V77 VanDerWaalsContact C-N 3.29Å; S75-V77 PolarHBondContact O-N 3.34Å; S75-V77 VanDerWaalsContact O-N 3.09Å; S75-V78 PolarHBondContact O-N 2.85Å; S75-D79 VanDerWaalsContact C-OD2 3.27Å; S75-D79 WeakPolarHBondContact O-CB 3.35Å; S75-D79 PolarHBondContact O-N 3.07Å; S75-D79 PolarHBondContact OG-OD2 3.25Å
76S55.8Low60.7Low45 Ų45109.6 Ų109.632%0.31557%0.569SS.*Hα-helixtrans-50.7-38.8-179.3171.10000115.3E72 R80E72-S76 WeakPolarHBondContact O-CB 3.3Å; S76-R80 WeakPolarHBondContact O-CB 3.46Å; S76-R80 VanDerWaalsContact O-CG 3.29Å; S76-R80 WeakPolarHBondContact O-CG 3.22Å; S76-R80 PolarHBondContact O-N 3.47Å; S76-R80 VanDerWaalsContact O-N 3.15Å; S76-R80 PolarHBondContact O-NE 3.3Å; S76-R80 VanDerWaalsContact O-NE 3.1Å; S76-R80 PolarHBondContact OG-NE 2.94Å; S76-R80 PolarHBondContact OG-NH2 3.4Å
77V58.1Low61.1Low80 Ų80105.9 Ų105.949%0.48555%0.554SS.*Hα-helixtrans-79.4-38.2-179.9178.90000111.5S75 T81S75-V77 VanDerWaalsContact C-N 3.29Å; S75-V77 PolarHBondContact O-N 3.34Å; S75-V77 VanDerWaalsContact O-N 3.09Å; V77-T81 WeakPolarHBondContact O-CB 3.45Å; V77-T81 PolarHBondContact O-N 3.05Å; V77-T81 PolarHBondContact O-OG1 3.1Å
78V62.6Low61.3Low98 Ų98104.9 Ų104.959%0.59456%0.556SS**Hα-helixtrans-67.8-42.3177.8177.20000110.1R74 S75 T81 A82R74-V78 WeakPolarHBondContact O-CG2 3.29Å; S75-V78 PolarHBondContact O-N 2.85Å; V78-T81 PolarHBondContact O-N 3.05Å; V78-A82 WeakPolarHBondContact O-CB 3.42Å; V78-A82 PolarHBondContact O-N 3.4Å
79D62.9Low61.7Low91 Ų91107.7 Ų107.749%0.48755%0.55SS.*Hα-helixtrans-66-42178-63-30.7000111.1S75 A82 A83S75-D79 VanDerWaalsContact C-OD2 3.27Å; S75-D79 WeakPolarHBondContact O-CB 3.35Å; S75-D79 PolarHBondContact O-N 3.07Å; S75-D79 PolarHBondContact OG-OD2 3.25Å; D79-A82 PolarHBondContact O-N 3.4Å; D79-A83 VanDerWaalsContact O-CB 3.3Å; D79-A83 WeakPolarHBondContact O-CB 3.49Å; D79-A83 PolarHBondContact O-N 3.41Å
80R65.2Low62Low147 Ų147102.4 Ų102.456%0.55553%0.531SS*.Hα-helixtrans-59.7-47.2171.8-83.2-176.4-82.9174.4-10.8112.4S76 A82 A83 E84S76-R80 WeakPolarHBondContact O-CB 3.46Å; S76-R80 VanDerWaalsContact O-CG 3.29Å; S76-R80 WeakPolarHBondContact O-CG 3.22Å; S76-R80 PolarHBondContact O-N 3.47Å; S76-R80 VanDerWaalsContact O-N 3.15Å; S76-R80 PolarHBondContact O-NE 3.3Å; S76-R80 VanDerWaalsContact O-NE 3.1Å; S76-R80 PolarHBondContact OG-NE 2.94Å; S76-R80 PolarHBondContact OG-NH2 3.4Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 3Å; R80-A83 PolarHBondContact O-N 3.14Å; R80-E84 WeakPolarHBondContact O-CG 3.33Å; R80-E84 PolarHBondContact O-N 3.42Å
81T70.7Confident62.2Low49 Ų4999.8 Ų99.830%0.30152%0.52SS..Hα-helixtrans-65.5-36.3179-55.30000111.8V77 V78 R85V77-T81 WeakPolarHBondContact O-CB 3.45Å; V77-T81 PolarHBondContact O-N 3.05Å; V77-T81 PolarHBondContact O-OG1 3.1Å; V78-T81 PolarHBondContact O-N 3.05Å; T81-R85 WeakPolarHBondContact O-CG 3.31Å; T81-R85 PolarHBondContact O-N 3.21Å; T81-R85 VanDerWaalsContact O-N 3.11Å
82A68.9Low62.7Low42 Ų42101.2 Ų101.235%0.34753%0.527SS..Hα-helixtrans-68.3-44.1175.900000111.4V78 D79 R80 R85 I86V78-A82 WeakPolarHBondContact O-CB 3.42Å; V78-A82 PolarHBondContact O-N 3.4Å; D79-A82 PolarHBondContact O-N 3.4Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 3Å; A82-R85 PolarHBondContact O-N 3.1Å; A82-I86 WeakPolarHBondContact O-CG1 3.4Å; A82-I86 PolarHBondContact O-N 2.85Å
83A66.6Low63.1Low56 Ų5698.7 Ų98.746%0.46352%0.515SS..Hα-helixtrans-60.9-44.817600000111.8D79 R80 R85 I86 S87D79-A83 VanDerWaalsContact O-CB 3.3Å; D79-A83 WeakPolarHBondContact O-CB 3.49Å; D79-A83 PolarHBondContact O-N 3.41Å; R80-A83 PolarHBondContact O-N 3.14Å; A83-R85 VanDerWaalsContact C-N 3.34Å; A83-R85 PolarHBondContact O-N 3.44Å; A83-I86 PolarHBondContact O-N 3.07Å; A83-S87 WeakPolarHBondContact O-CB 3.34Å; A83-S87 PolarHBondContact O-N 3.32Å
84E67.3Low63.2Low122 Ų122102.4 Ų102.457%0.5751%0.514SS*.Hα-helixtrans-58.6-44.6174-75.3170.8-165.600111.8R80 I86 S87 C88R80-E84 WeakPolarHBondContact O-CG 3.33Å; R80-E84 PolarHBondContact O-N 3.42Å; E84-I86 VanDerWaalsContact C-N 3.34Å; E84-I86 PolarHBondContact O-N 3.26Å; E84-S87 PolarHBondContact O-N 2.78Å; E84-C88 PolarHBondContact O-N 3.06Å; E84-C88 PolarHBondContact O-SG 3.41Å; E84-C88 VanDerWaalsContact O-SG 3.35Å
85R71.7Confident63.5Low159 Ų15996.9 Ų96.960%0.651%0.506SS*.Hα-helixtrans-63.5-37.5177.5-74.2170.7-177.7-176.83.2112.8T81 A82 A83 R89T81-R85 WeakPolarHBondContact O-CG 3.31Å; T81-R85 PolarHBondContact O-N 3.21Å; T81-R85 VanDerWaalsContact O-N 3.11Å; A82-R85 PolarHBondContact O-N 3.1Å; A83-R85 VanDerWaalsContact C-N 3.34Å; A83-R85 PolarHBondContact O-N 3.44Å; R85-R89 VanDerWaalsContact O-CG 3.31Å; R85-R89 WeakPolarHBondContact O-CG 3.3Å; R85-R89 PolarHBondContact O-N 3.11Å
86I68.4Low63.7Low115 Ų11599.9 Ų99.959%0.5952%0.516SS*.Hα-helixtrans-68.8-43.2176-66.3165.3000109.8A82 A83 E84 R89 L90A82-I86 WeakPolarHBondContact O-CG1 3.4Å; A82-I86 PolarHBondContact O-N 2.85Å; A83-I86 PolarHBondContact O-N 3.07Å; E84-I86 VanDerWaalsContact C-N 3.34Å; E84-I86 PolarHBondContact O-N 3.26Å; I86-R89 PolarHBondContact O-N 3.1Å; I86-L90 PolarHBondContact O-N 2.93Å
87S66.2Low63.7Low68 Ų68101.6 Ų101.648%0.47652%0.522SS..Hα-helixtrans-60.4-49.6177.9-1770000112.1A83 E84 R89 L90 V91A83-S87 WeakPolarHBondContact O-CB 3.34Å; A83-S87 PolarHBondContact O-N 3.32Å; E84-S87 PolarHBondContact O-N 2.78Å; S87-R89 VanDerWaalsContact C-N 3.29Å; S87-R89 PolarHBondContact O-N 3.2Å; S87-L90 PolarHBondContact O-N 3.35Å; S87-L90 VanDerWaalsContact O-N 3.14Å; S87-V91 WeakPolarHBondContact O-CG2 3.23Å; S87-V91 PolarHBondContact O-N 3.41Å
88C61.8Low63.6Low75 Ų75105.2 Ų105.251%0.50753%0.531SS..Hα-helixtrans-59.7-38.6177.5-67.50000112.5E84 Q92E84-C88 PolarHBondContact O-N 3.06Å; E84-C88 PolarHBondContact O-SG 3.41Å; E84-C88 VanDerWaalsContact O-SG 3.35Å; C88-Q92 WeakPolarHBondContact O-CB 3.45Å; C88-Q92 VanDerWaalsContact O-CG 3.28Å; C88-Q92 WeakPolarHBondContact O-CG 3.45Å; C88-Q92 PolarHBondContact O-N 2.89Å
89R65.1Low63.4Low165 Ų165102.1 Ų102.162%0.62352%0.52SS*.Hα-helixtrans-67.4-39.4176.6-74.3176.7-173171.21.7112.2R85 I86 S87 Q92 Q93R85-R89 VanDerWaalsContact O-CG 3.31Å; R85-R89 WeakPolarHBondContact O-CG 3.3Å; R85-R89 PolarHBondContact O-N 3.11Å; I86-R89 PolarHBondContact O-N 3.1Å; S87-R89 VanDerWaalsContact C-N 3.29Å; S87-R89 PolarHBondContact O-N 3.2Å; R89-Q92 PolarHBondContact O-N 3.26Å; R89-Q93 WeakPolarHBondContact O-CG 3.2Å; R89-Q93 PolarHBondContact O-N 3.23Å
90L65.1Low63.2Low80 Ų80102.5 Ų102.542%0.41952%0.521SS..Hα-helixtrans-65.9-41.7178-170.970.2000111.6I86 S87 Q93 R94I86-L90 PolarHBondContact O-N 2.93Å; S87-L90 PolarHBondContact O-N 3.35Å; S87-L90 VanDerWaalsContact O-N 3.14Å; L90-Q93 PolarHBondContact O-N 3.31Å; L90-R94 WeakPolarHBondContact O-CG 3.48Å; L90-R94 PolarHBondContact O-N 2.99Å; L90-R94 VanDerWaalsContact O-N 3.1Å
91V63.3Low62.7Low85 Ų85103 Ų10352%0.51552%0.524SS..Hα-helixtrans-62-46.4174.9174.30000110.6S87 Q93 R94 S95S87-V91 WeakPolarHBondContact O-CG2 3.23Å; S87-V91 PolarHBondContact O-N 3.41Å; V91-Q93 PolarHBondContact O-N 2.91Å; V91-R94 PolarHBondContact O-N 3.28Å; V91-S95 PolarHBondContact O-N 3.43Å; V91-S95 PolarHBondContact O-OG 3.29Å; V91-S95 VanDerWaalsContact O-OG 3.05Å
92Q65Low62.2Low125 Ų125109.5 Ų109.558%0.58454%0.543SS*.Hα-helixtrans-62.6-38.2178.4-73.8173.14.500113.2C88 R89 S95 L96C88-Q92 WeakPolarHBondContact O-CB 3.45Å; C88-Q92 VanDerWaalsContact O-CG 3.28Å; C88-Q92 WeakPolarHBondContact O-CG 3.45Å; C88-Q92 PolarHBondContact O-N 2.89Å; R89-Q92 PolarHBondContact O-N 3.26Å; Q92-S95 PolarHBondContact O-N 2.9Å; Q92-L96 PolarHBondContact O-N 3.42Å; Q92-L96 VanDerWaalsContact O-N 3.07Å
93Q60.7Low61.7Low123 Ų123114.3 Ų114.358%0.57556%0.556SS**Hα-helixtrans-62-46173.8-77.6179.7-29.800111.5R89 L90 V91 S95 L96 D97R89-Q93 WeakPolarHBondContact O-CG 3.2Å; R89-Q93 PolarHBondContact O-N 3.23Å; L90-Q93 PolarHBondContact O-N 3.31Å; V91-Q93 PolarHBondContact O-N 2.91Å; Q93-S95 VanDerWaalsContact C-N 3.32Å; Q93-S95 PolarHBondContact O-N 3.24Å; Q93-L96 PolarHBondContact O-N 2.99Å; Q93-D97 PolarHBondContact O-N 3.29Å; Q93-D97 VanDerWaalsContact O-N 3.11Å
94R57.3Low61.3Low172 Ų172117 Ų11765%0.64956%0.562SS**Hα-helixtrans-66.1-32.7178-69.5-179.9177.2177.2-0.8113L90 V91 D97 F98L90-R94 WeakPolarHBondContact O-CG 3.48Å; L90-R94 PolarHBondContact O-N 2.99Å; L90-R94 VanDerWaalsContact O-N 3.1Å; V91-R94 PolarHBondContact O-N 3.28Å; R94-D97 PolarHBondContact O-N 3.31Å; R94-F98 PolarHBondContact O-N 3.16Å; R94-F98 VanDerWaalsContact O-N 3.1Å
95S59.7Low60.8Low78 Ų78117 Ų11755%0.54557%0.566SS.*Hα-helixtrans-71-34.4175.5-57.40000112.9V91 Q92 Q93 G99V91-S95 PolarHBondContact O-N 3.43Å; V91-S95 PolarHBondContact O-OG 3.29Å; V91-S95 VanDerWaalsContact O-OG 3.05Å; Q92-S95 PolarHBondContact O-N 2.9Å; Q93-S95 VanDerWaalsContact C-N 3.32Å; Q93-S95 PolarHBondContact O-N 3.24Å; S95-G99 PolarHBondContact O-N 2.99Å
96L56.1Low59.9Low122 Ų122114.7 Ų114.764%0.63957%0.565SS**Hα-helixtrans-65.3-40.4172-86158.1000111.2Q92 Q93 G99 L100Q92-L96 PolarHBondContact O-N 3.42Å; Q92-L96 VanDerWaalsContact O-N 3.07Å; Q93-L96 PolarHBondContact O-N 2.99Å; L96-G99 PolarHBondContact O-N 2.89Å; L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 3.11Å
97D56.1Low59.2Low81 Ų81117 Ų11743%0.43357%0.571SS.*Hα-helixtrans-65.3-41.2177.6-68.4-22.2000112.1Q93 R94 G99 L100 Y101Q93-D97 PolarHBondContact O-N 3.29Å; Q93-D97 VanDerWaalsContact O-N 3.11Å; R94-D97 PolarHBondContact O-N 3.31Å; D97-G99 VanDerWaalsContact C-N 3.29Å; D97-G99 PolarHBondContact O-N 2.85Å; D97-L100 PolarHBondContact O-N 3.32Å; D97-L100 VanDerWaalsContact O-N 3.07Å; D97-Y101 HydrophobicContact CB-CD2 4.19Å; D97-Y101 HydrophobicContact CB-CE2 4.13Å; D97-Y101 WeakPolarHBondContact O-CD2 3.39Å; D97-Y101 PolarHBondContact O-N 3.09Å
98F55.4Low58.5Low156 Ų156120.4 Ų120.468%0.68458%0.584SS**Hα-helixtrans-60.9-37.2179.1-167.2-97.1000112.8R94 R102R94-F98 PolarHBondContact O-N 3.16Å; R94-F98 VanDerWaalsContact O-N 3.1Å; F98-R102 WeakPolarHBondContact O-CB 3.32Å; F98-R102 PolarHBondContact O-N 3.15Å
99G58.2Low58Low34 Ų34123.2 Ų123.235%0.35159%0.593SS.*Hα-helixtrans-68.9-32.8174.800000113.6S95 L96 D97 K103S95-G99 PolarHBondContact O-N 2.99Å; L96-G99 PolarHBondContact O-N 2.89Å; D97-G99 VanDerWaalsContact C-N 3.29Å; D97-G99 PolarHBondContact O-N 2.85Å; G99-K103 WeakPolarHBondContact O-CG 3.49Å; G99-K103 PolarHBondContact O-N 2.99Å
100L57.3Low57.3Low98 Ų98121.5 Ų121.551%0.51360%0.596SS.*Hα-helixtrans-77.5-41.3177.3-69.6170.7000112L96 D97 R102 K103 L104L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 3.11Å; D97-L100 PolarHBondContact O-N 3.32Å; D97-L100 VanDerWaalsContact O-N 3.07Å; L100-R102 VanDerWaalsContact C-N 3.32Å; L100-R102 PolarHBondContact O-N 2.82Å; L100-K103 PolarHBondContact O-N 2.84Å; L100-K103 VanDerWaalsContact O-N 3.12Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 3.34Å
101Y56.8Low56.4Low159 Ų159121.9 Ų121.962%0.62461%0.605SS**Hα-helixtrans-61.5-39174.4-81.7-69.3000112.2D97 K103 L104 N105D97-Y101 HydrophobicContact CB-CD2 4.19Å; D97-Y101 HydrophobicContact CB-CE2 4.13Å; D97-Y101 WeakPolarHBondContact O-CD2 3.39Å; D97-Y101 PolarHBondContact O-N 3.09Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 3.31Å; Y101-L104 PolarHBondContact O-N 2.73Å; Y101-N105 PolarHBondContact O-N 3.35Å
102R58.7Low55.5Low184 Ų184125.5 Ų125.569%0.69462%0.622SS**Hα-helixtrans-63-37173.9-164-175.5-141.5-138.25.9112.5F98 L100F98-R102 WeakPolarHBondContact O-CB 3.32Å; F98-R102 PolarHBondContact O-N 3.15Å; L100-R102 VanDerWaalsContact C-N 3.32Å; L100-R102 PolarHBondContact O-N 2.82Å
103K59Low54.4Low143 Ų143124.6 Ų124.662%0.62263%0.63SS**Hα-helixtrans-76.4-36.1179.2-74.1176.5-179.5-178.40112.6G99 L100 Y101 N106 F107G99-K103 WeakPolarHBondContact O-CG 3.49Å; G99-K103 PolarHBondContact O-N 2.99Å; L100-K103 PolarHBondContact O-N 2.84Å; L100-K103 VanDerWaalsContact O-N 3.12Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 3.31Å; K103-N106 PolarHBondContact O-N 3.03Å; K103-F107 PolarHBondContact O-N 2.85Å
104L58.5Low53.4Low113 Ų113124.2 Ų124.259%0.59264%0.64SS**Hα-helixtrans-67.5-35.1176.7-73.7170.4000112.6L100 Y101 N106 F107L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 3.34Å; Y101-L104 PolarHBondContact O-N 2.73Å; L104-N106 PolarHBondContact O-N 3.4Å; L104-F107 PolarHBondContact O-N 3.01Å
105N55.4Low52.4Low122 Ų122121.1 Ų121.165%0.65265%0.645SS**Hα-helixtrans-67.8-22175.1-86.60.5000113.8Y101Y101-N105 PolarHBondContact O-N 3.35Å
106N54.4Low51.5Low110 Ų110124.4 Ų124.459%0.58866%0.662SS**Hα-helixtrans-90.2-25.7176.4-67.7-4.3000112.5K103 L104 N108K103-N106 PolarHBondContact O-N 3.03Å; L104-N106 PolarHBondContact O-N 3.4Å; N106-N108 VanDerWaalsContact C-N 3.34Å; N106-N108 PolarHBondContact O-N 3.08Å
107F53.7Low50.6Low163 Ų163127.2 Ų127.272%0.71567%0.672SS**Hα-helixtrans-79.9-11.8-176.7-106.1-89.7000114.6K103 L104K103-F107 PolarHBondContact O-N 2.85Å; L104-F107 PolarHBondContact O-N 3.01Å
108N50.8Low49.9Very low140 Ų140129 Ų12975%0.74969%0.691SS**THydrogen-bonded Turntrans-106.16.1-173.3-143.211.1000114.8N106N106-N108 VanDerWaalsContact C-N 3.34Å; N106-N108 PolarHBondContact O-N 3.08Å
109I51.5Low49.1Very low135 Ų135125.1 Ų125.169%0.69270%0.695SS**THydrogen-bonded Turntrans-104.1-26.3179.9-61.7175.7000111.8
110D49.3Very low48.3Very low129 Ų129129.4 Ų129.469%0.6972%0.72SS**SBendtrans-102.13.7-171.6-62.6-29.4000115.2
111S47Very low47.4Very low87 Ų87127.5 Ų127.561%0.60872%0.723SS**SBendtrans-101.38.6-171.8-59.70000115.7
112N45Very low46.6Very low162 Ų162128.2 Ų128.287%0.86674%0.736SS**SBendtrans-128.926.3-177.7-86-22.9000115
113S40.7Very low46.4Very low106 Ų106123.9 Ų123.974%0.74173%0.734SS**  trans-129.467.3175.465.70000112.3
114S40.2Very low45.5Very low114 Ų114126.2 Ų126.280%0.79775%0.747SS**  trans-149.1127.1163.264.50000112.8
115S36.8Very low45.1Very low108 Ų108127.6 Ų127.676%0.75576%0.755SS**  trans79.179.6161.9-173.60000118.2
116T40.4Very low44.6Very low147 Ų147129.2 Ų129.290%0.90276%0.764SS**  trans-148.187.2134.2-2.70000111.3S118T116-S118 PolarHBondContact O-N 2.94Å
117Q36.2Very low44.5Very low180 Ų180131.2 Ų131.284%0.84178%0.775SS**  trans-44.7112.9155.5175.3-175.7-4.300111.5
118S41.9Very low44.1Very low119 Ų119128.9 Ų128.983%0.83277%0.77SS**  trans167.3120.9135.3-81.40000112.4T116T116-S118 PolarHBondContact O-N 2.94Å
119G39.1Very low43.9Very low74 Ų74131 Ų13176%0.76377%0.773SS**  trans112.2110.4137.900000117.1
120S42.2Very low43.5Very low125 Ų125131.8 Ų131.887%0.87478%0.778SS**  trans68.2103144.9-1640000115.8
121G37Very low43.4Very low57 Ų57132.9 Ų132.959%0.58878%0.779SS**  101.1135.860.100000108.8
122I41.3Very low43.3Very low174 Ų174135.9 Ų135.989%0.89279%0.787SS**  trans84.4139.2-178.593.4-167.7000115.2
123S53.3Low43.4Very low93 Ų93138.2 Ų138.265%0.6578%0.783SS**  cis-160.7146.8-26.960.10000105.1N125S123-N125 PolarHBondContact O-N 2.98Å
124E41.3Very low43.8Very low192 Ų192142 Ų14290%0.89779%0.787SS**  trans-58.3119.6173.7-68.2163.5173.100110.4
125N49.3Very low44.3Very low143 Ų143144.5 Ų144.577%0.76579%0.79SS**  trans-134.2106.4156.8-78.1-37.9000106.5S123 D127S123-N125 PolarHBondContact O-N 2.98Å; N125-D127 PolarHBondContact O-N 3.18Å
126D44.7Very low44.9Very low155 Ų155148 Ų14883%0.82979%0.791SS**  trans-49.3124.2149.4-66.9-47.5000107.8
127D52.5Low45.5Very low153 Ų153149.8 Ų149.882%0.81879%0.787SS**  trans-179.5113.7148.9-90.5-28.6000109.1N125N125-D127 PolarHBondContact O-N 3.18Å
128N45.2Very low46.2Very low114 Ų114147.2 Ų147.261%0.6178%0.779SS**  51109.1122.6-165.324.4000116.3
129F47.6Very low46.8Very low185 Ų185148.4 Ų148.481%0.81178%0.776SS**  -169.599120-98.5-71.1000109.3E131F129-E131 PolarHBondContact O-N 3.05Å
130N43.5Very low47.7Very low150 Ų150151 Ų15180%0.80277%0.772SS**  trans-46.9112.8146.2-85.3-38.4000108.6
131E45.9Very low48.3Very low152 Ų152153.3 Ų153.371%0.7177%0.769SS**  trans-152.392.9145.1-135.3173.9-175.200110F129 R133F129-E131 PolarHBondContact O-N 3.05Å; E131-R133 PolarHBondContact O-N 3.42Å
132I45.3Very low49.2Very low151 Ų151161 Ų16177%0.77478%0.782SS**  trans-48.191.1147-61.9167.5000105.5K134I132-K134 HydrophobicContact CG2-CG 4.4Å; I132-K134 PolarHBondContact O-N 3.41Å
133R47.4Very low49.9Very low211 Ų211158.9 Ų158.980%0.79677%0.768SS**  trans-67.291.1164.7-70.2-171.4-157.81709.2104.9E131 L135E131-R133 PolarHBondContact O-N 3.42Å; R133-L135 PolarHBondContact O-N 2.8Å
134K49.9Very low50Low186 Ų186160.5 Ų160.581%0.80977%0.765SS**  trans-46.596.6152.1-69.5-177177.1-177.70105.1I132 K136I132-K134 HydrophobicContact CG2-CG 4.4Å; I132-K134 PolarHBondContact O-N 3.41Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 3.36Å
135L49.3Very low51Low165 Ų165160.9 Ų160.986%0.86476%0.76SS**  trans-55.5110.6167.3-76.5165.3000104.4R133 K137R133-L135 PolarHBondContact O-N 2.8Å; L135-K137 PolarHBondContact O-N 3Å
136K49.3Very low51.4Low182 Ų182162.3 Ų162.379%0.79176%0.756SS**  trans-48.2130.4170.4-81.4176171.9177.70106.2K134 D138K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 3.36Å; K136-D138 VanDerWaalsContact C-N 3.28Å; K136-D138 PolarHBondContact O-N 3.04Å
137K53.4Low52Low185 Ų185161.4 Ų161.480%0.80475%0.751SS**  trans-54.3104.2158.2-87.7179.3170.8-177.30105.4L135 D139L135-K137 PolarHBondContact O-N 3Å; K137-D139 PolarHBondContact O-N 3.17Å
138D50.8Low52.2Low126 Ų126160.6 Ų160.667%0.67475%0.747SS**  trans-70.4107.7158.4-70.8-26.4000104.6K136 N140K136-D138 VanDerWaalsContact C-N 3.28Å; K136-D138 PolarHBondContact O-N 3.04Å; D138-N140 PolarHBondContact O-N 3.44Å
139D54Low52.7Low143 Ų143161.6 Ų161.677%0.76575%0.752SS**  trans-65.777.3170.2-65.9-35.2000107.3K137 E141K137-D139 PolarHBondContact O-N 3.17Å; D139-E141 PolarHBondContact O-N 2.89Å
140N58.5Low53.1Low129 Ų129159.7 Ų159.769%0.6975%0.75SS**  trans-77.180.1169-67.3-4.6000106.7D138 Y142D138-N140 PolarHBondContact O-N 3.44Å; N140-Y142 PolarHBondContact O-N 3.43Å
141E55Low53.8Low174 Ų174160.1 Ų160.181%0.81375%0.752SS**  trans-54.698.2168.3-172.7171.5-169.900108.6D139 H143D139-E141 PolarHBondContact O-N 2.89Å; E141-H143 PolarHBondContact O-N 3.28Å
142Y55.6Low54.2Low217 Ų217160.1 Ų160.185%0.85176%0.758SS**  trans-67.698.4168.6-99.3-96.2000107.7N140 E144N140-Y142 PolarHBondContact O-N 3.43Å; Y142-E144 PolarHBondContact O-N 3.47Å; Y142-E144 VanDerWaalsContact O-N 3.07Å
143H55.5Low54.5Low131 Ų131160.1 Ų160.161%0.60676%0.759SS**  trans-75.192.4169.4-147.4-40.8000108E141 Y145E141-H143 PolarHBondContact O-N 3.28Å; H143-Y145 PolarHBondContact O-N 2.81Å
144E56.9Low54.4Low126 Ų126153.5 Ų153.559%0.58976%0.757SS**  trans-65.5116.6164.1-75.6-169.9164.200108.1Y142 Y146Y142-E144 PolarHBondContact O-N 3.47Å; Y142-E144 VanDerWaalsContact O-N 3.07Å; E144-Y146 HydrophobicContact CB-CD2 4.37Å; E144-Y146 HydrophobicContact CB-CE2 3.97Å; E144-Y146 PolarHBondContact O-N 2.83Å; E144-Y146 WeakPolarHBondContact OE2-CE2 3.11Å; E144-Y146 PolarHBondContact OE2-OH 3.19Å
145Y60.5Low54.1Low200 Ų200148 Ų14878%0.78475%0.753SS**  trans-81.3101.8165.7-71.9-88.5000107.2H143 D147H143-Y145 PolarHBondContact O-N 2.81Å; Y145-D147 PolarHBondContact O-N 2.95Å
146Y59.2Low53.9Low174 Ų174147.5 Ų147.568%0.68275%0.751SS**  trans-69.1111.8159.8-72.2-89.5000107E144 D148E144-Y146 HydrophobicContact CB-CD2 4.37Å; E144-Y146 HydrophobicContact CB-CE2 3.97Å; E144-Y146 PolarHBondContact O-N 2.83Å; E144-Y146 WeakPolarHBondContact OE2-CE2 3.11Å; E144-Y146 PolarHBondContact OE2-OH 3.19Å; Y146-D148 PolarHBondContact O-N 3.02Å; Y146-D148 VanDerWaalsContact O-N 3.09Å
147D56.8Low53.9Low136 Ų136146.8 Ų146.873%0.72775%0.754SS**  trans-76.984.2166.9-169.41.7000107Y145 N149Y145-D147 PolarHBondContact O-N 2.95Å; D147-N149 PolarHBondContact O-N 3.13Å; D147-N149 PolarHBondContact OD1-ND2 2.86Å
148D57.3Low53.7Low136 Ų136145.5 Ų145.573%0.72775%0.751SS**  trans-67.778.5169.6-73.4-22.1000108.8Y146Y146-D148 PolarHBondContact O-N 3.02Å; Y146-D148 VanDerWaalsContact O-N 3.09Å
149N55Low53.4Low134 Ų134146.7 Ų146.772%0.71776%0.756SS**  trans-109.383.5162.8-90.8-51.9000109.4D147 N151D147-N149 PolarHBondContact O-N 3.13Å; D147-N149 PolarHBondContact OD1-ND2 2.86Å; N149-N151 PolarHBondContact O-N 2.92Å
150D55.5Low53.1Low146 Ų146147.9 Ų147.978%0.78176%0.757SS**  trans-47.6113.3158.8-77-36.9000110.7
151N58.3Low52.6Low158 Ų158151.4 Ų151.485%0.84577%0.77SS**  trans169.390.7138.1-88.2-32000111.5N149N149-N151 PolarHBondContact O-N 2.92Å
152N53.7Low52.3Low153 Ų153147.7 Ų147.782%0.81876%0.763SS**  trans179.3102.7134.6-123.24.7000107.5
153D51.6Low52Low150 Ų150143.4 Ų143.480%0.80275%0.754SS**  54.697.895.8-175.12.4000113
154G45.4Very low51.7Low73 Ų73147.4 Ų147.475%0.75377%0.765SS**  trans98.4102.2134.900000116.6
155G44Very low51.4Low70 Ų70148.5 Ų148.572%0.72278%0.775SS**  trans142103.7149.100000115I157G155-I157 PolarHBondContact O-N 3.19Å
156D46Very low51Low154 Ų154145 Ų14582%0.82477%0.769SS**  trans-37.9119.2165.9-80.2-46.1000114
157I49.2Very low50.4Low168 Ų168143.4 Ų143.486%0.86277%0.772SS**  trans-144.192.8147.9-2.5174.2000109.5G155G155-I157 PolarHBondContact O-N 3.19Å
158Q48Very low50.2Low158 Ų158146.4 Ų146.474%0.73878%0.784SS**  trans-67.4148.1157.9-62178.47.900108.5
159L45.9Very low49.8Very low151 Ų151148.2 Ų148.279%0.79179%0.788SS**  trans8498.4166.1-58.2146.4000116.4
160E47.8Very low49.5Very low167 Ų167149.5 Ų149.578%0.7880%0.795SS**  trans-170.222.8131.6-107.7178.6-159.800115.4S162E160-S162 PolarHBondContact O-N 3.06Å
161Q47.5Very low49.1Very low203 Ų203150.4 Ų150.495%0.94979%0.794SS**THydrogen-bonded Turntrans-8014.7173.2-70-173.620.200114.5
162S48.8Very low48.6Very low96 Ų96152.5 Ų152.567%0.67180%0.799SS**THydrogen-bonded Turntrans-105.216-173.246.10000115.6E160E160-S162 PolarHBondContact O-N 3.06Å
163L48.6Very low48.4Very low127 Ų127156.5 Ų156.567%0.66580%0.803SS**  trans-104.712.8179.1-79.4170000115.4I166L163-I166 HydrophobicContact CD2-CD1 4.45Å
164Y49.9Very low47.9Very low215 Ų215152.9 Ų152.984%0.84380%0.801SS**SBendtrans-94.81.8-176.6-142.9-96.5000116
165N50.9Low47.9Very low150 Ų150158.6 Ų158.680%0.80281%0.809SS**  trans-13782-179.1-63.6-36.8000111
166I52.6Low48.2Very low127 Ų127164.3 Ų164.365%0.65182%0.816SS**  trans-131.1105.2165.3-59.8179.4000108.4L163L163-I166 HydrophobicContact CD2-CD1 4.45Å
167D45.2Very low48.2Very low139 Ų139166.5 Ų166.574%0.74382%0.822SS**  trans65.677.3156.6-58.5-15.2000119.6
168M53.2Low47.7Very low199 Ų199161.9 Ų161.998%0.9882%0.816SS**  trans-100.732.5149.9-79.5-160.9-64.500112
169E49.6Very low47.5Very low175 Ų175164 Ų16482%0.81883%0.826SS**  trans-113.286.9173.7-67-171.1-178.200109.8
170N47.6Very low47.7Very low161 Ų161165 Ų16586%0.86183%0.826SS**  trans-145.571.3153.3-107.1-13000108.7
171E47.6Very low47.9Very low164 Ų164166.4 Ų166.477%0.76683%0.832SS**  42.387.7126.6-147.3168-168.700116.9R173E171-R173 PolarHBondContact O-N 3.47Å; E171-R173 VanDerWaalsContact O-N 3.11Å
172E47.3Very low48.1Very low202 Ų202163.8 Ų163.894%0.94483%0.825SS**  trans-24.699.7138.4-159.7174.8-137.300112.9
173R49.1Very low48.5Very low237 Ų237163.8 Ų163.889%0.89483%0.825SS**  trans-156111.6165.3-155.4174.5-170.2-131.9-0.3112.7E171E171-R173 PolarHBondContact O-N 3.47Å; E171-R173 VanDerWaalsContact O-N 3.11Å
174G41.6Very low49Very low75 Ų75164.8 Ų164.877%0.77383%0.83SS**  trans116.378154.300000115.5
175E46Very low48.9Very low193 Ų193159.7 Ų159.790%0.90282%0.821SS**  trans-64121149.4-62.6174.7167.800108.2
176E50.7Low49.3Very low189 Ų189158.9 Ų158.988%0.88382%0.815SS**  trans-165.8101.9153.2-109.1173.2-148.300109.2
177E44.7Very low49.4Very low201 Ų201160.1 Ų160.194%0.93982%0.818SS**  trans23.1118.7142.6-57-176.717200119.1
178G39.1Very low49.8Very low71 Ų71160.7 Ų160.773%0.73282%0.821SS**  trans176.986.5164.900000112.3Q180G178-Q180 PolarHBondContact O-N 3.09Å
179E42.8Very low49.8Very low203 Ų203157.3 Ų157.395%0.94981%0.807SS**  trans-54.2105.3167.2-64.3176164.200110
180Q50.6Low50.2Low172 Ų172158.2 Ų158.280%0.80481%0.811SS**  trans-128.8114.2160.6-78-175.817.900108.6G178 D182G178-Q180 PolarHBondContact O-N 3.09Å; Q180-D182 PolarHBondContact O-N 2.8Å
181E53.5Low50.9Low195 Ų195159.6 Ų159.691%0.91181%0.81SS**  trans-60.397.2168.2-64.7177161.200108.4S183E181-S183 PolarHBondContact O-N 2.89Å
182D51.6Low51.5Low148 Ų148161 Ų16179%0.79181%0.81SS**  trans-69.383.5170.1-90-15000108.9Q180 I184Q180-D182 PolarHBondContact O-N 2.8Å; D182-I184 PolarHBondContact O-N 3.31Å
183S57.1Low52.1Low96 Ų96157.1 Ų157.167%0.67180%0.8SS**  trans-59.6100.5160.455.10000107.9E181 T185E181-S183 PolarHBondContact O-N 2.89Å; S183-T185 PolarHBondContact O-N 2.94Å
184I57.3Low52.4Low149 Ų149148.1 Ų148.176%0.76477%0.77SS**  trans-60.991.1170-62.2171.7000107D182 I186D182-I184 PolarHBondContact O-N 3.31Å; I184-I186 VanDerWaalsContact C-N 3.33Å; I184-I186 HydrophobicContact CG2-CG1 3.97Å; I184-I186 PolarHBondContact O-N 3.17Å
185T49.7Very low53.1Low108 Ų108149 Ų14966%0.66376%0.762SS**  trans-74.296.2166.8-55.50000105.5S183 Q187S183-T185 PolarHBondContact O-N 2.94Å; T185-Q187 VanDerWaalsContact C-N 3.27Å; T185-Q187 PolarHBondContact O-N 2.98Å
186I57.6Low53.7Low133 Ų133149 Ų14968%0.68276%0.759SS**  trans-61.697.3168.4-58.7175.4000105.7I184 N188I184-I186 VanDerWaalsContact C-N 3.33Å; I184-I186 HydrophobicContact CG2-CG1 3.97Å; I184-I186 PolarHBondContact O-N 3.17Å; I186-N188 PolarHBondContact O-N 2.83Å
187Q56.5Low53.9Low153 Ų153143.7 Ų143.772%0.71574%0.736SS**  trans-64.1118.5167.7-67.5-174.1-15.100105.7T185 D189T185-Q187 VanDerWaalsContact C-N 3.27Å; T185-Q187 PolarHBondContact O-N 2.98Å; Q187-D189 PolarHBondContact O-N 2.97Å
188N52.6Low54.3Low151 Ų151143.4 Ų143.481%0.80773%0.731SS**  trans-63.587.1172.2-67.6-52.3000107.4I186 E190I186-N188 PolarHBondContact O-N 2.83Å; N188-E190 PolarHBondContact O-N 2.77Å; N188-E190 VanDerWaalsContact O-N 3.16Å
189D54.2Low55.1Low128 Ų128146.3 Ų146.368%0.68473%0.726SS**  trans-59.9119.7170.5-80.9-19.4000107.3Q187 F191Q187-D189 PolarHBondContact O-N 2.97Å; D189-F191 PolarHBondContact O-N 2.64Å
190E58Low55.7Low193 Ų193142.8 Ų142.890%0.90271%0.713SS**  trans-51.3105.6174.2-72.9175.8157.300108.9N188 Y192N188-E190 PolarHBondContact O-N 2.77Å; N188-E190 VanDerWaalsContact O-N 3.16Å; E190-Y192 PolarHBondContact O-N 3.29Å
191F61.8Low56Low191 Ų191138 Ų13884%0.83871%0.71SS**  trans-59.6112.3176.6-75.8-89000109.2D189 T193D189-F191 PolarHBondContact O-N 2.64Å; F191-T193 VanDerWaalsContact C-N 3.34Å; F191-T193 PolarHBondContact O-N 3.35Å
192Y60.4Low56.5Low193 Ų193135.6 Ų135.676%0.75770%0.696SS**  trans-68.594.5167.2178.9-99.2000109.1E190 N194E190-Y192 PolarHBondContact O-N 3.29Å; Y192-N194 HydrophobicContact CD1-CB 4.17Å; Y192-N194 HydrophobicContact CE1-CB 3.71Å; Y192-N194 PolarHBondContact O-N 3.33Å; Y192-N194 VanDerWaalsContact O-N 3.08Å
193T59.5Low57.5Low121 Ų121137 Ų13774%0.74270%0.698SS**  trans-75.495.3171.8-42.20000108.7F191 P195F191-T193 VanDerWaalsContact C-N 3.34Å; F191-T193 PolarHBondContact O-N 3.35Å; T193-P195 VanDerWaalsContact O-CD 3.3Å; T193-P195 WeakPolarHBondContact O-CD 3.36Å
194N55Low58.2Low48 Ų48139.8 Ų139.826%0.25770%0.699SS.*  trans-60.8121.8177.2-179.1-10.3000110.1Y192 K196 I197Y192-N194 HydrophobicContact CD1-CB 4.17Å; Y192-N194 HydrophobicContact CE1-CB 3.71Å; Y192-N194 PolarHBondContact O-N 3.33Å; Y192-N194 VanDerWaalsContact O-N 3.08Å; N194-K196 PolarHBondContact O-N 2.81Å; N194-K196 VanDerWaalsContact O-N 3.09Å; N194-K196 WeakPolarHBondContact OD1-CB 3.49Å; N194-K196 PolarHBondContact OD1-N 3.18Å; N194-I197 HydrophobicContact CB-CB 3.99Å; N194-I197 HydrophobicContact CB-CD1 3.45Å; N194-I197 VanDerWaalsContact CB-CD1 3.45Å; N194-I197 HydrophobicContact CB-CG1 3.53Å; N194-I197 WeakPolarHBondContact ND2-CD1 3.15Å; N194-I197 VanDerWaalsContact O-CB 3.23Å; N194-I197 WeakPolarHBondContact O-CB 3.5Å; N194-I197 PolarHBondContact O-N 2.78Å
195P56.5Low58.9Low93 Ų93136.7 Ų136.760%0.60469%0.687SS**G310 helixtrans-63-19.9-178.2-22.332.2000114.4T193T193-P195 VanDerWaalsContact O-CD 3.3Å; T193-P195 WeakPolarHBondContact O-CD 3.36Å
196K58.2Low60.1Low193 Ų193137.3 Ų137.384%0.83969%0.685SS**G310 helixtrans-78.2-11.4175.3-63.2-173.8178.2-177.20113.4N194 K198N194-K196 PolarHBondContact O-N 2.81Å; N194-K196 VanDerWaalsContact O-N 3.09Å; N194-K196 WeakPolarHBondContact OD1-CB 3.49Å; N194-K196 PolarHBondContact OD1-N 3.18Å; K196-K198 PolarHBondContact O-N 2.77Å
197I55.3Low60.8Low77 Ų77137.3 Ų137.340%0.39568%0.68SS.*G310 helixtrans-92.915.2-176-66-167.8000110.4N194 E199 L200N194-I197 HydrophobicContact CB-CB 3.99Å; N194-I197 HydrophobicContact CB-CD1 3.45Å; N194-I197 VanDerWaalsContact CB-CD1 3.45Å; N194-I197 HydrophobicContact CB-CG1 3.53Å; N194-I197 WeakPolarHBondContact ND2-CD1 3.15Å; N194-I197 VanDerWaalsContact O-CB 3.23Å; N194-I197 WeakPolarHBondContact O-CB 3.5Å; N194-I197 PolarHBondContact O-N 2.78Å; I197-E199 PolarHBondContact O-N 3.12Å; I197-L200 HydrophobicContact CB-CD1 4.36Å; I197-L200 HydrophobicContact CB-CG 4.36Å; I197-L200 HydrophobicContact CG2-CB 3.78Å; I197-L200 HydrophobicContact CG2-CD1 2.9Å; I197-L200 HydrophobicContact CG2-CD2 4.33Å; I197-L200 HydrophobicContact CG2-CG 3.09Å; I197-L200 PolarHBondContact O-N 3.31Å
198K52.9Low61.7Low196 Ų196134.1 Ų134.185%0.85267%0.668SS**THydrogen-bonded Turntrans-58.73.5173.7-92.4-174.5174.8-175.40115.6K196K196-K198 PolarHBondContact O-N 2.77Å
199E55.9Low63Low131 Ų131131.9 Ų131.961%0.61266%0.655SS**THydrogen-bonded Turntrans-106.83.6168.5-89-165.412500115.1I197 G201 K202I197-E199 PolarHBondContact O-N 3.12Å; E199-G201 PolarHBondContact O-N 2.74Å; E199-K202 PolarHBondContact O-N 2.73Å; E199-K202 IonicContact OE1-NZ 2.79Å; E199-K202 PolarHBondContact OE1-NZ 3.25Å
200L55.5Low64.2Low129 Ų129128.7 Ų128.768%0.67564%0.638SS**THydrogen-bonded Turntrans-74.518.9177.4-76.7-166.7000115.6I197I197-L200 HydrophobicContact CB-CD1 4.36Å; I197-L200 HydrophobicContact CB-CG 4.36Å; I197-L200 HydrophobicContact CG2-CB 3.78Å; I197-L200 HydrophobicContact CG2-CD1 2.9Å; I197-L200 HydrophobicContact CG2-CD2 4.33Å; I197-L200 HydrophobicContact CG2-CG 3.09Å; I197-L200 PolarHBondContact O-N 3.31Å
201G56.5Low64.9Low73 Ų73121.1 Ų121.175%0.75361%0.611SS**THydrogen-bonded Turntrans-91.7-4.4163.400000113E199 E203E199-G201 PolarHBondContact O-N 2.74Å; G201-E203 PolarHBondContact O-N 2.8Å
202K64.7Low65.7Low143 Ų143120.6 Ų120.662%0.62261%0.611SS**SBendtrans-83.9110174.3-77.8176.7179166.50109.1E199 F204E199-K202 PolarHBondContact O-N 2.73Å; E199-K202 IonicContact OE1-NZ 2.79Å; E199-K202 PolarHBondContact OE1-NZ 3.25Å; K202-F204 PolarHBondContact O-N 2.74Å
203E72.9Confident66.3Low177 Ų177121.3 Ų121.383%0.82761%0.612SS**PPolyproline II helixtrans-60.8124.8166.5-56176.3-15300108.1G201 T205G201-E203 PolarHBondContact O-N 2.8Å; E203-T205 PolarHBondContact O-N 2.83Å
204F71.3Confident66.9Low156 Ų156118.6 Ų118.668%0.68460%0.596SS**PPolyproline II helixtrans-71.3121.9173.5-74.8-86.9000108.5K202 D208K202-F204 PolarHBondContact O-N 2.74Å; F204-D208 HydrophobicContact CD1-CB 4.06Å
205T72.9Confident67.4Low84 Ų84122 Ų12252%0.51562%0.62SS.*PPolyproline II helixtrans-82.2154.6174.8-51.60000109.3E203 K207 D208 I209E203-T205 PolarHBondContact O-N 2.83Å; T205-K207 HydrophobicContact CG2-CB 4.04Å; T205-K207 PolarHBondContact O-N 3.42Å; T205-D208 PolarHBondContact N-OD2 2.73Å; T205-D208 WeakPolarHBondContact O-CB 3.47Å; T205-D208 PolarHBondContact O-N 3.01Å; T205-I209 PolarHBondContact O-N 2.97Å
206L74.6Confident67.9Low120 Ų120125.7 Ų125.763%0.62863%0.629SS**Hα-helixtrans-50.8-30.4170.6-76.3171000112.3D208 I209 L210L206-D208 VanDerWaalsContact C-N 3.35Å; L206-D208 PolarHBondContact O-N 2.98Å; L206-I209 PolarHBondContact O-N 2.73Å; L206-L210 HydrophobicContact CD2-CD1 4.36Å; L206-L210 VanDerWaalsContact O-CB 3.32Å; L206-L210 WeakPolarHBondContact O-CB 3.49Å; L206-L210 PolarHBondContact O-N 3.14Å
207K71.5Confident68.1Low133 Ų133118.8 Ų118.858%0.57860%0.602SS**Hα-helixtrans-56-42.8170.6-174.7175.8-178.8173.40113.3T205 I209 G211T205-K207 HydrophobicContact CG2-CB 4.04Å; T205-K207 PolarHBondContact O-N 3.42Å; K207-I209 VanDerWaalsContact C-N 3.28Å; K207-I209 PolarHBondContact O-N 3.42Å; K207-G211 VanDerWaalsContact O-CA 3.29Å; K207-G211 WeakPolarHBondContact O-CA 3.39Å; K207-G211 PolarHBondContact O-N 2.79Å
208D76.8Confident68.3Low87 Ų87123.2 Ų123.247%0.46562%0.621SS.*Hα-helixtrans-70.9-28.5-178.6-57.1-43000111.9F204 T205 L206F204-D208 HydrophobicContact CD1-CB 4.06Å; T205-D208 PolarHBondContact N-OD2 2.73Å; T205-D208 WeakPolarHBondContact O-CB 3.47Å; T205-D208 PolarHBondContact O-N 3.01Å; L206-D208 VanDerWaalsContact C-N 3.35Å; L206-D208 PolarHBondContact O-N 2.98Å
209I79.5Confident68.6Low103 Ų103118 Ų11853%0.52860%0.601SS.*Hα-helixtrans-84.6-40.6-179.1-57.3171.5000110.8T205 L206 K207T205-I209 PolarHBondContact O-N 2.97Å; L206-I209 PolarHBondContact O-N 2.73Å; K207-I209 VanDerWaalsContact C-N 3.28Å; K207-I209 PolarHBondContact O-N 3.42Å
210L78.2Confident68.8Low62 Ų62118.9 Ų118.933%0.32561%0.61SS.*Hα-helixtrans-109.2-13.2-167.6-60.2177.2000114.2L206 H212 R213 V214 L217L206-L210 HydrophobicContact CD2-CD1 4.36Å; L206-L210 VanDerWaalsContact O-CB 3.32Å; L206-L210 WeakPolarHBondContact O-CB 3.49Å; L206-L210 PolarHBondContact O-N 3.14Å; L210-H212 PolarHBondContact O-N 3.02Å; L210-H212 VanDerWaalsContact O-N 3.13Å; L210-R213 WeakPolarHBondContact O-CA 3.46Å; L210-R213 PolarHBondContact O-N 3.35Å; L210-V214 PolarHBondContact O-N 3.22Å; L210-L217 HydrophobicContact CB-CD1 3.44Å; L210-L217 VanDerWaalsContact CB-CD1 3.44Å
211G73.2Confident68.7Low33 Ų33119.9 Ų119.934%0.3462%0.616SS.*THydrogen-bonded Turntrans-60.8-25.6-176.700000114.2K207K207-G211 VanDerWaalsContact O-CA 3.29Å; K207-G211 WeakPolarHBondContact O-CA 3.39Å; K207-G211 PolarHBondContact O-N 2.79Å
212H78.1Confident68.8Low181 Ų181122.5 Ų122.584%0.83861%0.612SS**THydrogen-bonded Turntrans-78-18.5173.2-64.9-57.6000114.1L210L210-H212 PolarHBondContact O-N 3.02Å; L210-H212 VanDerWaalsContact O-N 3.13Å
213R74.5Confident68.4Low207 Ų207123.8 Ų123.878%0.78162%0.617SS**THydrogen-bonded Turntrans-102.4-29.6-176.6-64.6-175.6179.4-166.8-0.3112.7L210L210-R213 WeakPolarHBondContact O-CA 3.46Å; L210-R213 PolarHBondContact O-N 3.35Å
214V70.2Confident67.6Low64 Ų64122 Ų12239%0.38861%0.613SS.*  trans-128.690.1-177.8-171.90000107.7L210 E216 L217L210-V214 PolarHBondContact O-N 3.22Å; V214-E216 HydrophobicContact CG1-CB 4.29Å; V214-E216 PolarHBondContact O-N 3.33Å; V214-L217 HydrophobicContact CB-CD1 3.78Å; V214-L217 HydrophobicContact CB-CG 4.01Å; V214-L217 HydrophobicContact CG1-CD1 4.36Å; V214-L217 HydrophobicContact CG1-CG 4.04Å; V214-L217 HydrophobicContact CG2-CD1 4.4Å; V214-L217 PolarHBondContact O-N 2.8Å
215P67.4Low66.9Low119 Ų119121.1 Ų121.177%0.77362%0.616SS**THydrogen-bonded Turntrans-56.8-20.6176.6-23.833.8000113.1
216E65.6Low66.2Low171 Ų171125.7 Ų125.780%0.79963%0.631SS**THydrogen-bonded Turntrans-909.4-176.8-58.2176.2-17700113.9V214 E218V214-E216 HydrophobicContact CG1-CB 4.29Å; V214-E216 PolarHBondContact O-N 3.33Å; E216-E218 PolarHBondContact O-N 3.32Å
217L63.2Low65.2Low49 Ų49126.6 Ų126.626%0.25764%0.637SS.*  trans-70.957.9170.6-89.1161.1000111.3L210 V214 I219L210-L217 HydrophobicContact CB-CD1 3.44Å; L210-L217 VanDerWaalsContact CB-CD1 3.44Å; V214-L217 HydrophobicContact CB-CD1 3.78Å; V214-L217 HydrophobicContact CB-CG 4.01Å; V214-L217 HydrophobicContact CG1-CD1 4.36Å; V214-L217 HydrophobicContact CG1-CG 4.04Å; V214-L217 HydrophobicContact CG2-CD1 4.4Å; V214-L217 PolarHBondContact O-N 2.8Å; L217-I219 HydrophobicContact CD2-CD1 3.95Å; L217-I219 HydrophobicContact CD2-CG1 3.99Å; L217-I219 PolarHBondContact O-N 2.85Å
218E58.2Low64.5Low169 Ų169129.2 Ų129.279%0.7965%0.653SS**  trans-85.784.3163.4-72.2-177.1173.200108E216 D220E216-E218 PolarHBondContact O-N 3.32Å; E218-D220 PolarHBondContact O-N 3.05Å; E218-D220 VanDerWaalsContact O-N 3.12Å
219I59.1Low63.1Low88 Ų88127.4 Ų127.445%0.45166%0.655SS.*  trans-85.855.4174.9-32.8173.2000109.7L217 N221 I222L217-I219 HydrophobicContact CD2-CD1 3.95Å; L217-I219 HydrophobicContact CD2-CG1 3.99Å; L217-I219 PolarHBondContact O-N 2.85Å; I219-N221 PolarHBondContact O-N 2.8Å; I219-I222 HydrophobicContact CG2-CB 4.1Å; I219-I222 HydrophobicContact CG2-CD1 3.49Å; I219-I222 VanDerWaalsContact CG2-CD1 3.49Å; I219-I222 HydrophobicContact CG2-CG1 3.54Å
220D60.5Low61.6Low149 Ų149132.1 Ų132.180%0.79768%0.675SS**  trans-81.211173-89.1-1.3000112.5E218E218-D220 PolarHBondContact O-N 3.05Å; E218-D220 VanDerWaalsContact O-N 3.12Å
221N55Low60.3Low150 Ų150136.6 Ų136.680%0.80270%0.699SS**  trans-132.15.8-171.7-72.8-43.5000116.8I219 K223I219-N221 PolarHBondContact O-N 2.8Å; N221-K223 PolarHBondContact O-N 2.98Å
222I58.2Low58.9Low128 Ų128147.9 Ų147.966%0.65674%0.743SS**  trans-90.593.9165.8-55.5176.9000105.9I219 D224I219-I222 HydrophobicContact CG2-CB 4.1Å; I219-I222 HydrophobicContact CG2-CD1 3.49Å; I219-I222 VanDerWaalsContact CG2-CD1 3.49Å; I219-I222 HydrophobicContact CG2-CG1 3.54Å; I222-D224 PolarHBondContact O-N 3.12Å
223K55.8Low58Low170 Ų170146.2 Ų146.274%0.73974%0.738SS**  trans-56120.1156.9-67.2-179.2-179.9-178.70105.2N221 D225N221-K223 PolarHBondContact O-N 2.98Å; K223-D225 PolarHBondContact O-N 3.15Å
224D56.4Low57.1Low138 Ų138143 Ų14374%0.73874%0.736SS**  trans-57.396.7157.9-72.9-38.2000105.1I222 E226I222-D224 PolarHBondContact O-N 3.12Å; D224-E226 HydrophobicContact CB-CG 4.2Å; D224-E226 PolarHBondContact O-N 2.9Å
225D55.3Low56.4Low138 Ų138147.4 Ų147.474%0.73876%0.755SS**  trans-68.569.7163.9-73.5-24.3000106.1K223 D227K223-D225 PolarHBondContact O-N 3.15Å; D225-D227 PolarHBondContact O-N 3.49Å
226E58.5Low55.7Low180 Ų180149.1 Ų149.184%0.84175%0.754SS**  trans-67.662.3158.6-71.5-166.7162.400108.3D224D224-E226 HydrophobicContact CB-CG 4.2Å; D224-E226 PolarHBondContact O-N 2.9Å
227D54.5Low55.1Low140 Ų140147.7 Ų147.775%0.74975%0.752SS**  trans-157.463.1168.5-156.35.5000111.8D225D225-D227 PolarHBondContact O-N 3.49Å
228M57Low54.6Low188 Ų188154.3 Ų154.393%0.92679%0.785SS**  trans-106.576.2164.6-68.1-66.7-80.300109.4
229G46.4Very low54.3Low49 Ų49153.2 Ų153.251%0.50578%0.784SS.*  trans63.492.5136.700000117.5N231G229-N231 PolarHBondContact O-N 3.08Å
230Q49.1Very low54Low202 Ų202158.2 Ų158.294%0.94481%0.81SS**  trans-67.1106.1148.6-68.1-166.2-16.800108.6
231N49.5Very low53.4Low156 Ų156159 Ų15983%0.83481%0.811SS**  trans-106.796.4164.6-71.9-34.6000108.1G229G229-N231 PolarHBondContact O-N 3.08Å
232E45.4Very low53.3Low269 Ų269159.8 Ų159.8100%1.25781%0.812SS**  trans-154.10149.4-126.3178.7-169.300110.4

Retrieved 232 of 232 residues in 55 ms (Link to these results)