G4VNH1_SCHMA Loading...

Branchpoint-bridging protein

Necessary for the ATP-dependent first step of spliceosome assembly. Binds to the intron branch point sequence (BPS) 5'-UACUAAC-3' of the pre-mRNA. May act as transcription repressor. Necessary for the splicing of pre-mRNA. Has a role in the recognition of the branch site (5'-UACUAAC-3'), the pyrimidine tract and the 3'-splice site at the 3'-end of introns.

AlphaFold DB , UniProt , Accession G4VNH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 540 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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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
1M44.9Very low46.4Very low239 Ų239155.5 Ų155.5100%1.17785%0.847SS**  0154.50-73.3139.5170.900109.3
2S49.7Very low45.8Very low126 Ų126153.3 Ų153.388%0.88185%0.851SS**  trans42.298.5166.2-54.70000119.8
3K45.6Very low45.5Very low188 Ų188151.2 Ų151.282%0.81785%0.854SS**  trans-81.9155.5150.7-62.1177.2-179.4177.40109.5
4R56.8Low45.1Very low255 Ų255147.5 Ų147.596%0.96284%0.842SS**  trans-132.5149.2149.4-85.7-170.4174.3168.2-1.6110
5I50.2Low44.9Very low135 Ų135154.1 Ų154.169%0.69285%0.848SS**  trans-139.7174.5-168.9-66.4172.3000106.5
6L46Very low44.8Very low162 Ų162151 Ų15185%0.84884%0.841SS**  trans103145.3166.7-55.2166.2000114.8
7A41.9Very low44.7Very low80 Ų80156.2 Ų156.266%0.66185%0.845SS**  cis-164.9147.2-22.700000112.7
8I42Very low44.7Very low149 Ų149161.9 Ų161.976%0.76485%0.852SS**  trans10.5130141.7-54.1162.2000119.4
9T50.3Low44.7Very low140 Ų140165.7 Ų165.786%0.85985%0.854SS**  trans-157.3135.4130.147.30000111.3
10D39.5Very low44.6Very low159 Ų159163.1 Ų163.185%0.8585%0.85SS**  trans-83.5164.2173.9-70-77.9000113.9
11G43.8Very low44.6Very low78 Ų78166.9 Ų166.980%0.80485%0.854SS**  trans-164.877.2-179.900000115.1
12S39.6Very low44.7Very low128 Ų128160.7 Ų160.790%0.89583%0.834SS**  trans-73.1135.5175.8-68.60000113.6
13S41.5Very low45Very low127 Ų127160.6 Ų160.689%0.88883%0.83SS**  -169.2171.3124-157.50000111.9
14S40Very low45Very low99 Ų99160.9 Ų160.969%0.69283%0.834SS**  trans-135.6146.8-175.166.20000112.6
15R42.5Very low44.3Very low246 Ų246158.4 Ų158.493%0.92883%0.831SS**  trans178.6151.1140.7-103.1160.9176.6-166.3-2.3116.1
16S43.3Very low44Very low105 Ų105155.9 Ų155.973%0.73483%0.825SS**  trans66.290.4145.9-160.50000121.9
17R42.8Very low44.4Very low240 Ų240153.8 Ų153.891%0.90682%0.821SS**  9.5124.7127.5-60.3174177.4171.2-2.1117.7
18R44.5Very low44.7Very low258 Ų258157.1 Ų157.197%0.97483%0.828SS**  trans-145.2162.7138.6-109.3178.8-174.9-158.80.1110.6
19R45Very low45.1Very low235 Ų235154.7 Ų154.789%0.88782%0.824SS**  trans-88.8151.2-163.6-75.5177.4160.7178.6-7.3114.4
20S42.9Very low45.4Very low112 Ų112152 Ų15278%0.78382%0.815SS**  trans52.6104.9140.263.60000120.5
21R43Very low46.1Very low244 Ų244150.1 Ų150.192%0.92181%0.812SS**  -155129.1121.5-157.5172.1-176-176.9-0.2109.4
22S47.8Very low46.9Very low109 Ų109158.2 Ų158.276%0.76282%0.819SS**PPolyproline II helixtrans-80.8136.1173.5-550000110
23P56.3Low48.1Very low124 Ų124162 Ų16281%0.80582%0.819SS**PPolyproline II helixtrans-73.7142161.831.7-31.9000109.5
24E46Very low49.3Very low193 Ų193167.2 Ų167.290%0.90282%0.819SS**PPolyproline II helixtrans-76.9151.5-176.5-66.9-179.4101.800112.6S26E24-S26 PolarHBondContact O-N 3.38Å
25K40.9Very low50.6Low204 Ų204170.7 Ų170.789%0.88782%0.822SS**  trans-92.392.1-174.8-172.7-177.8-178.6-175.80109.9
26S45.5Very low52Low81 Ų81161.7 Ų161.757%0.56680%0.796SS**  trans-60.7137.9175.851.30000111.6E24 D28E24-S26 PolarHBondContact O-N 3.38Å; S26-D28 PolarHBondContact O-N 3.48Å
27P52.8Low52.8Low119 Ų119168.1 Ų168.177%0.77380%0.804SS**THydrogen-bonded Turntrans-77.5-17.8-171.629.1-35.1000114.9S29P27-S29 VanDerWaalsContact C-N 3.35Å; P27-S29 PolarHBondContact O-N 3.29Å
28D49.8Very low53.5Low150 Ų150168.2 Ų168.280%0.80281%0.805SS**THydrogen-bonded Turntrans-82.84.3-168.7-69.4-66.2000116.2S26 A30S26-D28 PolarHBondContact O-N 3.48Å; D28-A30 VanDerWaalsContact C-N 3.26Å; D28-A30 PolarHBondContact O-N 3.04Å
29S49.3Very low53.8Low97 Ų97158.2 Ų158.268%0.67878%0.775SS**  trans-85.650.3-178.675.30000113.7P27P27-S29 VanDerWaalsContact C-N 3.35Å; P27-S29 PolarHBondContact O-N 3.29Å
30A56.5Low54.2Low83 Ų83149.5 Ų149.569%0.68675%0.753SS**  trans-68.3129.7173.300000110.6D28 R32D28-A30 VanDerWaalsContact C-N 3.26Å; D28-A30 PolarHBondContact O-N 3.04Å; A30-R32 PolarHBondContact O-N 3.31Å
31P55.1Low54.7Low120 Ų120146.4 Ų146.478%0.77973%0.734SS**  trans-66.5126.1-176.325.8-33.6000111.1K33P31-K33 PolarHBondContact O-N 3.25Å
32R59.3Low55Low249 Ų249141.6 Ų141.694%0.9472%0.722SS**  trans-53.3105.6176.3-80.2-178.1162.9-165.5-5.6110.4A30 R34A30-R32 PolarHBondContact O-N 3.31Å; R32-R34 PolarHBondContact O-N 2.93Å
33K64.5Low55.4Low206 Ų206142.3 Ų142.390%0.89672%0.722SS**PPolyproline II helixtrans-56.1124.7175-72.1-177.5177.1178.60109.3P31 K35P31-K33 PolarHBondContact O-N 3.25Å; K33-K35 PolarHBondContact O-N 3.22Å
34R67.3Low55.4Low238 Ų238139.7 Ų139.790%0.89870%0.701SS**PPolyproline II helixtrans-59135.2177.6-70.3172.565.2177.61109.7R32 S36R32-R34 PolarHBondContact O-N 2.93Å; R34-S36 PolarHBondContact O-N 3.47Å
35K68.3Low56.1Low172 Ų172138 Ų13875%0.74869%0.687SS**PPolyproline II helixtrans-54.1122.4170.7-175.279.2173-173.40108.7K33K33-K35 PolarHBondContact O-N 3.22Å
36S71.8Confident56.9Low56 Ų56131.9 Ų131.939%0.39266%0.663SS.*PPolyproline II helixtrans-70.5140.6177.6178.90000110.2R34 W38 S39R34-S36 PolarHBondContact O-N 3.47Å; S36-W38 VanDerWaalsContact C-N 3.3Å; S36-W38 PolarHBondContact OG-N 3.19Å; S36-W38 VanDerWaalsContact OG-N 3.1Å; S36-S39 WeakPolarHBondContact CB-O 3.46Å; S36-S39 PolarHBondContact OG-N 3.1Å
37R58.7Low57.6Low241 Ų241136 Ų13691%0.90967%0.671SS**SBendtrans-75.7-21.5168.1-84.7-176.162.9148.8-2.4112.7
38W57.7Low58Low241 Ų241131 Ų13191%0.91364%0.638SS**SBendtrans-104.73-175.8-60103.2000112.6S36S36-W38 VanDerWaalsContact C-N 3.3Å; S36-W38 PolarHBondContact OG-N 3.19Å; S36-W38 VanDerWaalsContact OG-N 3.1Å
39S50.9Low58.7Low49 Ų49129 Ų12934%0.34363%0.632SS.*  trans-152.3123178.3-39.90000108.8S36S36-S39 WeakPolarHBondContact CB-O 3.46Å; S36-S39 PolarHBondContact OG-N 3.1Å
40A53.6Low59.3Low52 Ų52128.2 Ų128.243%0.4364%0.64SS.*SBendtrans-63.5-171.8144.800000108.7D44A40-D44 HydrophobicContact CB-CB 3.56Å; A40-D44 WeakPolarHBondContact CB-OD2 3.46Å
41A54.4Low59.8Low47 Ų47125.1 Ų125.139%0.38861%0.611SS.*  trans-60.7165.9-174.100000112T43 D44A41-T43 WeakPolarHBondContact CB-OG1 3.35Å; A41-T43 PolarHBondContact O-N 2.74Å; A41-T43 VanDerWaalsContact O-N 3.15Å; A41-D44 WeakPolarHBondContact CB-OD2 3.41Å; A41-D44 PolarHBondContact N-OD2 3.15Å; A41-D44 WeakPolarHBondContact O-CA 3.23Å; A41-D44 VanDerWaalsContact O-CB 3.28Å; A41-D44 WeakPolarHBondContact O-CB 3.49Å; A41-D44 PolarHBondContact O-N 3.03Å
42E49.1Very low60.7Low142 Ų142123.2 Ų123.266%0.66460%0.599SS**G310 helixtrans-65-20.9-177.7-164.9145.7-146.300112.5D44 R45E42-D44 PolarHBondContact O-N 3.44Å; E42-R45 IonicContact OE1-CZ 3.48Å; E42-R45 IonicContact OE1-NH1 3.88Å; E42-R45 PolarHBondContact OE1-NH1 2.72Å; E42-R45 IonicContact OE1-NH2 2.96Å; E42-R45 PolarHBondContact OE1-NH2 2.68Å
43T55.8Low61.3Low125 Ų125116.1 Ų116.177%0.76758%0.584SS**G310 helixtrans-63.5-22.9165.446.40000114.5A41A41-T43 WeakPolarHBondContact CB-OG1 3.35Å; A41-T43 PolarHBondContact O-N 2.74Å; A41-T43 VanDerWaalsContact O-N 3.15Å
44D57.1Low61.9Low68 Ų68114 Ų11436%0.36458%0.577SS.*G310 helixtrans-104.510.5-168.7-44-12000110.6A40 A41 E42 I46A40-D44 HydrophobicContact CB-CB 3.56Å; A40-D44 WeakPolarHBondContact CB-OD2 3.46Å; A41-D44 WeakPolarHBondContact CB-OD2 3.41Å; A41-D44 PolarHBondContact N-OD2 3.15Å; A41-D44 WeakPolarHBondContact O-CA 3.23Å; A41-D44 VanDerWaalsContact O-CB 3.28Å; A41-D44 WeakPolarHBondContact O-CB 3.49Å; A41-D44 PolarHBondContact O-N 3.03Å; E42-D44 PolarHBondContact O-N 3.44Å; D44-I46 PolarHBondContact O-N 2.77Å
45R59Low62.4Low159 Ų159105.7 Ų105.760%0.655%0.55SS*.  trans-69.898.9169.1-74.8-161-171.9123.414109.2E42 F47E42-R45 IonicContact OE1-CZ 3.48Å; E42-R45 IonicContact OE1-NH1 3.88Å; E42-R45 PolarHBondContact OE1-NH1 2.72Å; E42-R45 IonicContact OE1-NH2 2.96Å; E42-R45 PolarHBondContact OE1-NH2 2.68Å; R45-F47 PolarHBondContact O-N 2.78Å
46I59.3Low63Low74 Ų74101 Ų10138%0.37954%0.537SS..  trans-62.599.1178.1-64.6167.9000109.7D44 I48 D75D44-I46 PolarHBondContact O-N 2.77Å; I46-I48 HydrophobicContact CG2-CD1 4.26Å; I46-I48 HydrophobicContact CG2-CG1 4.02Å; I46-D75 WeakPolarHBondContact CG2-OD1 3.5Å
47F60Low63.4Low168 Ų168104.2 Ų104.274%0.73756%0.557SS**  trans-101.3113.6163.9-167.3-98.3000108R45 P49R45-F47 PolarHBondContact O-N 2.78Å; F47-P49 WeakPolarHBondContact O-CD 3.37Å
48I61.4Low64.5Low15 Ų15100 Ų1008%0.07755%0.552CS.*  trans-89.8113.8173.3-67.6164.5000106.8I46 G50 M51 L71 E74 D75I46-I48 HydrophobicContact CG2-CD1 4.26Å; I46-I48 HydrophobicContact CG2-CG1 4.02Å; I48-G50 PolarHBondContact O-N 3.43Å; I48-M51 HydrophobicContact CB-CB 4.43Å; I48-M51 HydrophobicContact CG2-CB 3.89Å; I48-M51 PolarHBondContact O-N 3.15Å; I48-L71 HydrophobicContact CD1-CD1 3.67Å; I48-L71 HydrophobicContact CD1-CG 4.3Å; I48-E74 HydrophobicContact CD1-CB 4.47Å; I48-E74 HydrophobicContact CG2-CB 4.36Å; I48-D75 HydrophobicContact CD1-CB 4.02Å
49P62.9Low65.7Low107 Ų10791.5 Ų91.570%0.69552%0.524SS*.THydrogen-bonded Turntrans-64.1111.1-179.9-20.433.6000110.1F47F47-P49 WeakPolarHBondContact O-CD 3.37Å
50G63.6Low67.5Low81 Ų8192.1 Ų92.184%0.83553%0.526SS*.THydrogen-bonded Turntrans109-16.3177.400000116I48I48-G50 PolarHBondContact O-N 3.43Å
51M67.2Low69.2Low18 Ų1893.6 Ų93.69%0.08953%0.531CS..  trans-118.3113.4-179.7-161.2173.6-173.700111.8I48 Y67 Q70 L71I48-M51 HydrophobicContact CB-CB 4.43Å; I48-M51 HydrophobicContact CG2-CB 3.89Å; I48-M51 PolarHBondContact O-N 3.15Å; M51-Y67 HydrophobicContact CE-CD1 4.09Å; M51-Y67 HydrophobicContact CE-CD2 3.75Å; M51-Y67 HydrophobicContact CE-CE1 3.86Å; M51-Y67 HydrophobicContact CE-CE2 3.48Å; M51-Y67 VanDerWaalsContact CE-CE2 3.48Å; M51-Y67 HydrophobicContact CE-CG 4.04Å; M51-Y67 WeakPolarHBondContact CE-O 3.24Å; M51-Q70 HydrophobicContact CE-CB 4.22Å; M51-Q70 HydrophobicContact CE-CG 4.08Å; M51-Q70 HydrophobicContact SD-CG 4.35Å; M51-L71 HydrophobicContact CB-CD1 4.19Å; M51-L71 HydrophobicContact CE-CB 3.8Å; M51-L71 HydrophobicContact CE-CD1 4.22Å; M51-L71 HydrophobicContact CG-CD1 3.74Å; M51-L71 VanDerWaalsContact SD-CA 3.57Å; M51-L71 HydrophobicContact SD-CB 3.84Å; M51-L71 HydrophobicContact SD-CD1 3.5Å; M51-L71 WeakPolarHBondContact SD-CD1 3.34Å; M51-L71 HydrophobicContact SD-CG 4.28Å
52P72.6Confident70.8Confident79 Ų7997.9 Ų97.951%0.51354%0.543SS..  trans-72.1147177.428.7-31.9000111.3Q54 Y67P52-Q54 VanDerWaalsContact C-N 3.26Å; P52-Q54 PolarHBondContact O-N 3.43Å; P52-Y67 WeakPolarHBondContact CD-OH 2.88Å; P52-Y67 WeakPolarHBondContact CG-OH 3.2Å; P52-Y67 PolarHBondContact O-OH 3.03Å
53T73.2Confident72.7Confident101 Ų10195.6 Ų95.662%0.6253%0.532SS*.SBendtrans-85.54.3177.551.50000113.7
54Q77Confident74.3Confident162 Ų16293.8 Ų93.876%0.75752%0.515SS*.SBendtrans-103.2124.9178.1-63.6-179.54.300109.6P52P52-Q54 VanDerWaalsContact C-N 3.26Å; P52-Q54 PolarHBondContact O-N 3.43Å
55L77.2Confident75.9Confident63 Ų6397.9 Ų97.933%0.3353%0.526SS..PPolyproline II helixtrans-81.1133.7179.3-81.270.2000110.8L59 E64 Y67 I68L55-L59 HydrophobicContact CB-CD1 4.49Å; L55-E64 HydrophobicContact CD2-CB 4.33Å; L55-E64 HydrophobicContact CD2-CG 3.73Å; L55-Y67 HydrophobicContact CD1-CD1 3.96Å; L55-Y67 HydrophobicContact CD1-CE1 4.1Å; L55-Y67 HydrophobicContact CD2-CD1 4.48Å; L55-Y67 HydrophobicContact CG-CD1 3.77Å; L55-Y67 HydrophobicContact CG-CE1 4.15Å; L55-I68 HydrophobicContact CD2-CD1 4.16Å; L55-I68 HydrophobicContact CD2-CG1 4.15Å
56P80.7Confident77.5Confident72 Ų7291.6 Ų91.647%0.46851%0.505SS..PPolyproline II helixtrans-56.3138.7167.6-26.433.6000112.7N58 L59P56-N58 VanDerWaalsContact C-N 3.26Å; P56-N58 PolarHBondContact O-N 3.45Å; P56-L59 HydrophobicContact CB-CD1 4.27Å; P56-L59 HydrophobicContact CB-CG 4.27Å; P56-L59 HydrophobicContact CG-CD1 4.34Å
57P79.9Confident78.9Confident125 Ų12590.1 Ų90.181%0.81250%0.495SS*.THydrogen-bonded Turntrans-73.6-10-171.529.5-36.9000115
58N81.9Confident80.4Confident153 Ų15385 Ų8582%0.81848%0.475SS*.THydrogen-bonded Turntrans-107.322.4-172-62-18.3000113.2P56P56-N58 VanDerWaalsContact C-N 3.26Å; P56-N58 PolarHBondContact O-N 3.45Å
59L83Confident81.9Confident61 Ų6184.7 Ų84.732%0.31947%0.473SS..  trans-84.9144.4178.4-67.6168.8000111.3L55 P56 Q63L55-L59 HydrophobicContact CB-CD1 4.49Å; P56-L59 HydrophobicContact CB-CD1 4.27Å; P56-L59 HydrophobicContact CB-CG 4.27Å; P56-L59 HydrophobicContact CG-CD1 4.34Å; L59-Q63 HydrophobicContact CB-CB 4.15Å; L59-Q63 HydrophobicContact CD2-CB 3.82Å
60T89.7Confident83.2Confident62 Ų6282.7 Ų82.738%0.3845%0.454SS..  trans-70.5156.3166.477.60000110.4Q62 Q63 E64T60-Q62 PolarHBondContact O-N 2.92Å; T60-Q62 PolarHBondContact OG1-N 3.27Å; T60-Q63 PolarHBondContact O-N 3.19Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.18Å; T60-Q63 PolarHBondContact OG1-N 3.44Å; T60-E64 PolarHBondContact O-N 3.03Å
61P88.9Confident84.4Confident84 Ų8480.3 Ų80.355%0.54542%0.423SS..Hα-helixtrans-63.1-12.3176.624.9-35.6000114R65P61-R65 VanDerWaalsContact O-CD 3.29Å; P61-R65 WeakPolarHBondContact O-CD 3.37Å; P61-R65 VanDerWaalsContact O-CG 3.24Å; P61-R65 WeakPolarHBondContact O-CG 3.28Å; P61-R65 PolarHBondContact O-NE 3.43Å
62Q87.9Confident85.5Confident137 Ų13783.5 Ų83.564%0.6444%0.437SS*.Hα-helixtrans-80.7-46167.7-71.2173.9-26.400111.1T60 E64 R65 V66T60-Q62 PolarHBondContact O-N 2.92Å; T60-Q62 PolarHBondContact OG1-N 3.27Å; Q62-E64 VanDerWaalsContact C-N 3.34Å; Q62-E64 PolarHBondContact O-N 2.86Å; Q62-R65 PolarHBondContact O-N 3.2Å; Q62-V66 WeakPolarHBondContact O-CG2 3.3Å; Q62-V66 PolarHBondContact O-N 2.9Å
63Q88.6Confident86.4Confident93 Ų9379.8 Ų79.844%0.43541%0.413SS..Hα-helixtrans-65.4-35.8177.3-67169-25.900112.3L59 T60 V66 Y67L59-Q63 HydrophobicContact CB-CB 4.15Å; L59-Q63 HydrophobicContact CD2-CB 3.82Å; T60-Q63 PolarHBondContact O-N 3.19Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.18Å; T60-Q63 PolarHBondContact OG1-N 3.44Å; Q63-V66 PolarHBondContact O-N 2.88Å; Q63-Y67 WeakPolarHBondContact O-CB 3.29Å; Q63-Y67 PolarHBondContact O-N 2.82Å
64E89.7Confident87.2Confident87 Ų8777.9 Ų77.941%0.40740%0.397SS..Hα-helixtrans-55.9-49.2169.2167172.2-143.100111.4L55 T60 Q62 Y67 I68L55-E64 HydrophobicContact CD2-CB 4.33Å; L55-E64 HydrophobicContact CD2-CG 3.73Å; T60-E64 PolarHBondContact O-N 3.03Å; Q62-E64 VanDerWaalsContact C-N 3.34Å; Q62-E64 PolarHBondContact O-N 2.86Å; E64-Y67 PolarHBondContact O-N 3.48Å; E64-I68 HydrophobicContact CG-CD1 3.68Å; E64-I68 VanDerWaalsContact O-CG1 3.3Å; E64-I68 WeakPolarHBondContact O-CG1 3.41Å; E64-I68 PolarHBondContact O-N 2.94Å
65R90.9Very high87.8Confident154 Ų15471.1 Ų71.158%0.58137%0.366SS*.Hα-helixtrans-62.9-45.6177.6-69.6168.6-171.6-163.31.5111.5P61 Q62 Y67 I68 I69P61-R65 VanDerWaalsContact O-CD 3.29Å; P61-R65 WeakPolarHBondContact O-CD 3.37Å; P61-R65 VanDerWaalsContact O-CG 3.24Å; P61-R65 WeakPolarHBondContact O-CG 3.28Å; P61-R65 PolarHBondContact O-NE 3.43Å; Q62-R65 PolarHBondContact O-N 3.2Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-Y67 PolarHBondContact O-N 2.8Å; R65-I68 PolarHBondContact O-N 3.28Å; R65-I69 HydrophobicContact CB-CD1 4.44Å; R65-I69 WeakPolarHBondContact O-CB 3.46Å; R65-I69 WeakPolarHBondContact O-CD1 3.39Å; R65-I69 WeakPolarHBondContact O-CG1 3.42Å; R65-I69 PolarHBondContact O-N 3.29Å
66V91.3Very high88.3Confident28 Ų2869 Ų6917%0.1735%0.354CS..Hα-helixtrans-53.3-47.5174.2164.50000110.7Q62 Q63 Q70 L131 I134 N135Q62-V66 WeakPolarHBondContact O-CG2 3.3Å; Q62-V66 PolarHBondContact O-N 2.9Å; Q63-V66 PolarHBondContact O-N 2.88Å; V66-Q70 WeakPolarHBondContact O-CB 3.38Å; V66-Q70 PolarHBondContact O-N 3.08Å; V66-L131 HydrophobicContact CB-CD1 4.05Å; V66-L131 HydrophobicContact CG1-CD1 3.98Å; V66-L131 HydrophobicContact CG2-CD1 3.97Å; V66-I134 HydrophobicContact CG2-CB 4.4Å; V66-I134 HydrophobicContact CG2-CG2 3.59Å; V66-N135 HydrophobicContact CG2-CB 4.27Å
67Y89.6Confident88.8Confident42 Ų4266 Ų6617%0.16534%0.336CS..Hα-helixtrans-65.3-46.3-179.8-166.8-96.4000113M51 P52 L55 Q63 E64 R65 Q70 L71M51-Y67 HydrophobicContact CE-CD1 4.09Å; M51-Y67 HydrophobicContact CE-CD2 3.75Å; M51-Y67 HydrophobicContact CE-CE1 3.86Å; M51-Y67 HydrophobicContact CE-CE2 3.48Å; M51-Y67 VanDerWaalsContact CE-CE2 3.48Å; M51-Y67 HydrophobicContact CE-CG 4.04Å; M51-Y67 WeakPolarHBondContact CE-O 3.24Å; P52-Y67 WeakPolarHBondContact CD-OH 2.88Å; P52-Y67 WeakPolarHBondContact CG-OH 3.2Å; P52-Y67 PolarHBondContact O-OH 3.03Å; L55-Y67 HydrophobicContact CD1-CD1 3.96Å; L55-Y67 HydrophobicContact CD1-CE1 4.1Å; L55-Y67 HydrophobicContact CD2-CD1 4.48Å; L55-Y67 HydrophobicContact CG-CD1 3.77Å; L55-Y67 HydrophobicContact CG-CE1 4.15Å; Q63-Y67 WeakPolarHBondContact O-CB 3.29Å; Q63-Y67 PolarHBondContact O-N 2.82Å; E64-Y67 PolarHBondContact O-N 3.48Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-Y67 PolarHBondContact O-N 2.8Å; Y67-Q70 PolarHBondContact O-N 3.24Å; Y67-L71 WeakPolarHBondContact O-CB 3.49Å; Y67-L71 PolarHBondContact O-N 2.66Å
68I91.3Very high89.1Confident61 Ų6163.3 Ų63.331%0.31331%0.309SS..Hα-helixtrans-64.5-43179-68.4166.8000110.9L55 E64 R65 L71 Q72L55-I68 HydrophobicContact CD2-CD1 4.16Å; L55-I68 HydrophobicContact CD2-CG1 4.15Å; E64-I68 HydrophobicContact CG-CD1 3.68Å; E64-I68 VanDerWaalsContact O-CG1 3.3Å; E64-I68 WeakPolarHBondContact O-CG1 3.41Å; E64-I68 PolarHBondContact O-N 2.94Å; R65-I68 PolarHBondContact O-N 3.28Å; I68-L71 PolarHBondContact O-N 2.93Å; I68-Q72 VanDerWaalsContact O-CG 3.29Å; I68-Q72 WeakPolarHBondContact O-CG 3.31Å; I68-Q72 PolarHBondContact O-N 2.74Å
69I92.4Very high89.3Confident8 Ų859.6 Ų59.64%0.04128%0.284CS..Hα-helixtrans-67.4-40.7178.9-65.3164.5000110.2R65 Q72 I73 L127 Q130 L131 I134R65-I69 HydrophobicContact CB-CD1 4.44Å; R65-I69 WeakPolarHBondContact O-CB 3.46Å; R65-I69 WeakPolarHBondContact O-CD1 3.39Å; R65-I69 WeakPolarHBondContact O-CG1 3.42Å; R65-I69 PolarHBondContact O-N 3.29Å; I69-Q72 PolarHBondContact O-N 2.71Å; I69-I73 HydrophobicContact CG2-CD1 3.84Å; I69-I73 HydrophobicContact CG2-CG1 4.47Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.29Å; I69-I73 PolarHBondContact O-N 3.28Å; I69-L127 HydrophobicContact CG2-CB 4.02Å; I69-L127 HydrophobicContact CG2-CD2 4.16Å; I69-L127 WeakPolarHBondContact CG2-O 3.42Å; I69-Q130 HydrophobicContact CD1-CG 3.95Å; I69-L131 HydrophobicContact CB-CD1 4.33Å; I69-L131 HydrophobicContact CG2-CB 3.83Å; I69-L131 HydrophobicContact CG2-CD1 4.27Å; I69-L131 HydrophobicContact CG2-CD2 4.13Å; I69-L131 HydrophobicContact CG2-CG 4.31Å; I69-I134 HydrophobicContact CD1-CD1 3.99Å
70Q90.2Very high89.5Confident65 Ų6557.6 Ų57.630%0.30427%0.273SS..Hα-helixtrans-60.2-47.8173.1179176.2-16.800111.8M51 V66 Y67 Q72 I73 E74 L131M51-Q70 HydrophobicContact CE-CB 4.22Å; M51-Q70 HydrophobicContact CE-CG 4.08Å; M51-Q70 HydrophobicContact SD-CG 4.35Å; V66-Q70 WeakPolarHBondContact O-CB 3.38Å; V66-Q70 PolarHBondContact O-N 3.08Å; Y67-Q70 PolarHBondContact O-N 3.24Å; Q70-Q72 PolarHBondContact O-N 2.93Å; Q70-I73 PolarHBondContact O-N 3.06Å; Q70-I73 VanDerWaalsContact O-N 3.1Å; Q70-E74 HydrophobicContact CG-CG 4.46Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.17Å; Q70-E74 PolarHBondContact NE2-OE1 3.41Å; Q70-E74 PolarHBondContact O-N 3.39Å; Q70-L131 HydrophobicContact CB-CD2 4.25Å
71L89.7Confident89.4Confident32 Ų3261 Ų6117%0.16828%0.283CS..Hα-helixtrans-56.8-38177.3-174.771.9000111.9I48 M51 Y67 I68 D75I48-L71 HydrophobicContact CD1-CD1 3.67Å; I48-L71 HydrophobicContact CD1-CG 4.3Å; M51-L71 HydrophobicContact CB-CD1 4.19Å; M51-L71 HydrophobicContact CE-CB 3.8Å; M51-L71 HydrophobicContact CE-CD1 4.22Å; M51-L71 HydrophobicContact CG-CD1 3.74Å; M51-L71 VanDerWaalsContact SD-CA 3.57Å; M51-L71 HydrophobicContact SD-CB 3.84Å; M51-L71 HydrophobicContact SD-CD1 3.5Å; M51-L71 WeakPolarHBondContact SD-CD1 3.34Å; M51-L71 HydrophobicContact SD-CG 4.28Å; Y67-L71 WeakPolarHBondContact O-CB 3.49Å; Y67-L71 PolarHBondContact O-N 2.66Å; I68-L71 PolarHBondContact O-N 2.93Å; L71-D75 WeakPolarHBondContact O-CB 3.44Å; L71-D75 PolarHBondContact O-N 3.4Å
72Q90.8Very high89.2Confident85 Ų8560.7 Ų60.740%0.39728%0.282SS..Hα-helixtrans-70.7-43.4175.2-69.3170.62.100112.2I68 I69 Q70 E74 D75 M76 L127I68-Q72 VanDerWaalsContact O-CG 3.29Å; I68-Q72 WeakPolarHBondContact O-CG 3.31Å; I68-Q72 PolarHBondContact O-N 2.74Å; I69-Q72 PolarHBondContact O-N 2.71Å; Q70-Q72 PolarHBondContact O-N 2.93Å; Q72-E74 VanDerWaalsContact C-N 3.29Å; Q72-E74 PolarHBondContact O-N 2.94Å; Q72-D75 PolarHBondContact O-N 3.26Å; Q72-M76 WeakPolarHBondContact O-CB 3.3Å; Q72-M76 VanDerWaalsContact O-CG 3.24Å; Q72-M76 WeakPolarHBondContact O-CG 3.49Å; Q72-M76 PolarHBondContact O-N 2.9Å; Q72-L127 HydrophobicContact CB-CD1 3.63Å
73I91.6Very high88.8Confident0 Ų056.2 Ų56.20%027%0.274CS..Hα-helixtrans-61.2-39.4175.9-68.5161.1000111.1I69 Q70 S77 R124 L127 V128 L131 P141I69-I73 HydrophobicContact CG2-CD1 3.84Å; I69-I73 HydrophobicContact CG2-CG1 4.47Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.29Å; I69-I73 PolarHBondContact O-N 3.28Å; Q70-I73 PolarHBondContact O-N 3.06Å; Q70-I73 VanDerWaalsContact O-N 3.1Å; I73-S77 WeakPolarHBondContact O-CB 3.42Å; I73-S77 PolarHBondContact O-N 3.37Å; I73-S77 PolarHBondContact O-OG 2.96Å; I73-R124 HydrophobicContact CG2-CG 4.41Å; I73-L127 HydrophobicContact CD1-CB 4.09Å; I73-L127 HydrophobicContact CG1-CB 3.68Å; I73-L127 HydrophobicContact CG1-CD1 4.41Å; I73-V128 HydrophobicContact CD1-CG2 3.78Å; I73-V128 HydrophobicContact CG1-CG2 4.07Å; I73-V128 HydrophobicContact CG2-CG2 4.12Å; I73-L131 HydrophobicContact CD1-CB 4.25Å; I73-L131 HydrophobicContact CD1-CD2 3.59Å; I73-P141 HydrophobicContact CG2-CG 4.17Å
74E89.5Confident88.4Confident62 Ų6256.2 Ų56.229%0.2928%0.276SS..Hα-helixtrans-68.7-41.8175.2-71.9-176.7-151.700111.9I48 Q70 Q72 S77 R78I48-E74 HydrophobicContact CD1-CB 4.47Å; I48-E74 HydrophobicContact CG2-CB 4.36Å; Q70-E74 HydrophobicContact CG-CG 4.46Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.17Å; Q70-E74 PolarHBondContact NE2-OE1 3.41Å; Q70-E74 PolarHBondContact O-N 3.39Å; Q72-E74 VanDerWaalsContact C-N 3.29Å; Q72-E74 PolarHBondContact O-N 2.94Å; E74-S77 PolarHBondContact O-N 2.9Å; E74-R78 WeakPolarHBondContact O-CB 3.45Å; E74-R78 PolarHBondContact O-N 2.94Å
75D88.5Confident87.9Confident20 Ų2053 Ų5311%0.10726%0.262CS..Hα-helixtrans-58.9-50.4173.8-178.140.3000112.1I46 I48 L71 Q72 S77 R78 R79I46-D75 WeakPolarHBondContact CG2-OD1 3.5Å; I48-D75 HydrophobicContact CD1-CB 4.02Å; L71-D75 WeakPolarHBondContact O-CB 3.44Å; L71-D75 PolarHBondContact O-N 3.4Å; Q72-D75 PolarHBondContact O-N 3.26Å; D75-S77 VanDerWaalsContact C-N 3.35Å; D75-S77 PolarHBondContact O-N 3.39Å; D75-R78 WeakPolarHBondContact O-CB 3.39Å; D75-R78 PolarHBondContact O-N 3.22Å; D75-R78 IonicContact OD1-CZ 3.83Å; D75-R78 IonicContact OD1-NH1 2.68Å; D75-R78 PolarHBondContact OD1-NH1 2.94Å; D75-R78 IonicContact OD1-NH2 3.99Å; D75-R78 PolarHBondContact OD1-NH2 2.88Å; D75-R79 WeakPolarHBondContact O-CG 3.42Å; D75-R79 PolarHBondContact O-N 2.83Å; D75-R79 IonicContact OD1-NE 2.66Å; D75-R79 PolarHBondContact OD1-NE 3.09Å; D75-R79 IonicContact OD1-NH2 3.95Å; D75-R79 IonicContact OD2-CZ 2.72Å; D75-R79 IonicContact OD2-NE 3.19Å; D75-R79 PolarHBondContact OD2-NE 2.89Å; D75-R79 IonicContact OD2-NH2 2.68Å; D75-R79 PolarHBondContact OD2-NH2 3.24Å
76M89.2Confident87Confident17 Ų1748 Ų488%0.08426%0.258CS..Hα-helixtrans-65.1-39.4179.8-65.9-173.277.400111.9Q72 R78 R79 L80 L120 D123 R124 L127Q72-M76 WeakPolarHBondContact O-CB 3.3Å; Q72-M76 VanDerWaalsContact O-CG 3.24Å; Q72-M76 WeakPolarHBondContact O-CG 3.49Å; Q72-M76 PolarHBondContact O-N 2.9Å; M76-R78 VanDerWaalsContact C-N 3.33Å; M76-R78 PolarHBondContact O-N 2.94Å; M76-R79 PolarHBondContact O-N 3.33Å; M76-L80 VanDerWaalsContact O-CG 3.32Å; M76-L80 WeakPolarHBondContact O-CG 3.36Å; M76-L80 PolarHBondContact O-N 3.4Å; M76-L120 HydrophobicContact CE-CB 4.17Å; M76-L120 HydrophobicContact CE-CD2 3.62Å; M76-L120 WeakPolarHBondContact CE-O 3.23Å; M76-D123 HydrophobicContact CE-CB 3.32Å; M76-D123 HydrophobicContact SD-CB 4.25Å; M76-R124 HydrophobicContact CB-CB 4.26Å; M76-R124 HydrophobicContact CE-CB 4.17Å; M76-R124 HydrophobicContact SD-CB 4.22Å; M76-L127 HydrophobicContact SD-CD1 3.79Å
77S89.5Confident86.3Confident11 Ų1148.5 Ų48.58%0.07726%0.259CS..Hα-helixtrans-65.5-34.9174.5-60.20000112.1I73 E74 D75 K81 R124I73-S77 WeakPolarHBondContact O-CB 3.42Å; I73-S77 PolarHBondContact O-N 3.37Å; I73-S77 PolarHBondContact O-OG 2.96Å; E74-S77 PolarHBondContact O-N 2.9Å; D75-S77 VanDerWaalsContact C-N 3.35Å; D75-S77 PolarHBondContact O-N 3.39Å; S77-K81 WeakPolarHBondContact O-CB 3.22Å; S77-K81 VanDerWaalsContact O-CG 3.32Å; S77-K81 WeakPolarHBondContact O-CG 3.27Å; S77-K81 PolarHBondContact O-N 3.47Å; S77-K81 VanDerWaalsContact O-N 3.08Å; S77-R124 WeakPolarHBondContact OG-CD 3.13Å
78R86.6Confident85.6Confident68 Ų6849.1 Ų49.126%0.25727%0.269SS..Hα-helixtrans-66.1-44.7172.5-167.2-167.572.7-89.2-12.3111.5E74 D75 M76 L80 K81 S82E74-R78 WeakPolarHBondContact O-CB 3.45Å; E74-R78 PolarHBondContact O-N 2.94Å; D75-R78 WeakPolarHBondContact O-CB 3.39Å; D75-R78 PolarHBondContact O-N 3.22Å; D75-R78 IonicContact OD1-CZ 3.83Å; D75-R78 IonicContact OD1-NH1 2.68Å; D75-R78 PolarHBondContact OD1-NH1 2.94Å; D75-R78 IonicContact OD1-NH2 3.99Å; D75-R78 PolarHBondContact OD1-NH2 2.88Å; M76-R78 VanDerWaalsContact C-N 3.33Å; M76-R78 PolarHBondContact O-N 2.94Å; R78-L80 VanDerWaalsContact C-N 3.35Å; R78-L80 PolarHBondContact O-N 2.98Å; R78-K81 PolarHBondContact O-N 2.93Å; R78-S82 WeakPolarHBondContact O-CB 3.38Å; R78-S82 PolarHBondContact O-N 2.94Å; R78-S82 PolarHBondContact O-OG 2.96Å
79R86.1Confident84.8Confident74 Ų7455.4 Ų55.428%0.27929%0.293SS..Hα-helixtrans-59.8-42.4176.2-66.6173-165.6-140.412.3112.2D75 M76 K81 S82 G83 D84 L120D75-R79 WeakPolarHBondContact O-CG 3.42Å; D75-R79 PolarHBondContact O-N 2.83Å; D75-R79 IonicContact OD1-NE 2.66Å; D75-R79 PolarHBondContact OD1-NE 3.09Å; D75-R79 IonicContact OD1-NH2 3.95Å; D75-R79 IonicContact OD2-CZ 2.72Å; D75-R79 IonicContact OD2-NE 3.19Å; D75-R79 PolarHBondContact OD2-NE 2.89Å; D75-R79 IonicContact OD2-NH2 2.68Å; D75-R79 PolarHBondContact OD2-NH2 3.24Å; M76-R79 PolarHBondContact O-N 3.33Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 3.04Å; R79-S82 PolarHBondContact O-OG 3.37Å; R79-G83 PolarHBondContact O-N 3.41Å; R79-D84 WeakPolarHBondContact CB-O 3.15Å; R79-L120 HydrophobicContact CB-CD1 4.24Å
80L87.9Confident83.8Confident19 Ų1959.6 Ų59.610%0.09932%0.316CS..Hα-helixtrans-64.6-36175.7-71.5170.7000112.7M76 R78 R117 L120 E121M76-L80 VanDerWaalsContact O-CG 3.32Å; M76-L80 WeakPolarHBondContact O-CG 3.36Å; M76-L80 PolarHBondContact O-N 3.4Å; R78-L80 VanDerWaalsContact C-N 3.35Å; R78-L80 PolarHBondContact O-N 2.98Å; L80-R117 HydrophobicContact CD2-CG 3.8Å; L80-L120 HydrophobicContact CD2-CB 3.81Å; L80-L120 HydrophobicContact CG-CB 4.21Å; L80-E121 HydrophobicContact CD1-CG 3.85Å; L80-E121 HydrophobicContact CD2-CG 3.82Å
81K87.1Confident82.9Confident135 Ų13561 Ų6159%0.58733%0.331SS*.Hα-helixtrans-77.2-41.9177.3-74.9178.9-179.6-173.50113.8S77 R78 R79 G83 D143S77-K81 WeakPolarHBondContact O-CB 3.22Å; S77-K81 VanDerWaalsContact O-CG 3.32Å; S77-K81 WeakPolarHBondContact O-CG 3.27Å; S77-K81 PolarHBondContact O-N 3.47Å; S77-K81 VanDerWaalsContact O-N 3.08Å; R78-K81 PolarHBondContact O-N 2.93Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 3.04Å; K81-G83 VanDerWaalsContact C-N 3.29Å; K81-G83 PolarHBondContact O-N 3.05Å; K81-D143 WeakPolarHBondContact CE-OD1 3.22Å; K81-D143 WeakPolarHBondContact CE-OD2 3.5Å; K81-D143 VanDerWaalsContact NZ-CG 3.35Å; K81-D143 IonicContact NZ-OD1 3.05Å; K81-D143 IonicContact NZ-OD2 2.86Å; K81-D143 PolarHBondContact NZ-OD2 3.48Å
82S83.9Confident82.1Confident76 Ų7668.1 Ų68.153%0.53136%0.363SS..Hα-helixtrans-74.8-19.7-178.266.10000113.4R78 R79 D84R78-S82 WeakPolarHBondContact O-CB 3.38Å; R78-S82 PolarHBondContact O-N 2.94Å; R78-S82 PolarHBondContact O-OG 2.96Å; R79-S82 PolarHBondContact O-OG 3.37Å; S82-D84 PolarHBondContact O-N 3.04Å; S82-D84 PolarHBondContact OG-N 2.84Å; S82-D84 VanDerWaalsContact OG-N 3.15Å
83G80.3Confident81.3Confident44 Ų4469.1 Ų69.145%0.45437%0.371SS..  trans75.70.6-170.700000113.7R79 K81 L85R79-G83 PolarHBondContact O-N 3.41Å; K81-G83 VanDerWaalsContact C-N 3.29Å; K81-G83 PolarHBondContact O-N 3.05Å; G83-L85 VanDerWaalsContact C-N 3.27Å; G83-L85 PolarHBondContact O-N 3.36Å
84D80.9Confident80.7Confident93 Ų9373 Ų7350%0.49739%0.386SS..  trans-77.183.8168.2-177.419.8000110R79 S82 G86R79-D84 WeakPolarHBondContact CB-O 3.15Å; S82-D84 PolarHBondContact O-N 3.04Å; S82-D84 PolarHBondContact OG-N 2.84Å; S82-D84 VanDerWaalsContact OG-N 3.15Å; D84-G86 PolarHBondContact O-N 3.36Å; D84-G86 PolarHBondContact OD1-N 3.49Å; D84-G86 VanDerWaalsContact OD1-N 3.08Å
85L78Confident79.9Confident19 Ų1974.8 Ų74.810%0.09941%0.405CS..  trans-742.8176.7-59.6176.8000112.7G83 I87 E113 T116 R117 L120G83-L85 VanDerWaalsContact C-N 3.27Å; G83-L85 PolarHBondContact O-N 3.36Å; L85-I87 HydrophobicContact CB-CD1 3.89Å; L85-I87 HydrophobicContact CB-CG1 3.93Å; L85-I87 HydrophobicContact CD1-CD1 3.93Å; L85-I87 PolarHBondContact O-N 3.37Å; L85-E113 HydrophobicContact CD1-CB 4.36Å; L85-E113 WeakPolarHBondContact CD1-O 3.49Å; L85-T116 HydrophobicContact CB-CG2 3.87Å; L85-T116 WeakPolarHBondContact O-CG2 3.44Å; L85-R117 HydrophobicContact CD1-CB 4.32Å; L85-R117 HydrophobicContact CD2-CB 4.07Å; L85-L120 HydrophobicContact CD2-CD1 3.88Å
86G73.3Confident79.4Confident48 Ų4879.8 Ų79.850%0.49544%0.439SS..  trans67.217.8-176.500000114.4D84 P88D84-G86 PolarHBondContact O-N 3.36Å; D84-G86 PolarHBondContact OD1-N 3.49Å; D84-G86 VanDerWaalsContact OD1-N 3.08Å; G86-P88 WeakPolarHBondContact O-CD 3.24Å
87I76.9Confident78.8Confident40 Ų4082.5 Ų82.521%0.20546%0.46CS..  trans-69.8125.8179.7-64.7168000109.1L85 K89 R112 E113 T116L85-I87 HydrophobicContact CB-CD1 3.89Å; L85-I87 HydrophobicContact CB-CG1 3.93Å; L85-I87 HydrophobicContact CD1-CD1 3.93Å; L85-I87 PolarHBondContact O-N 3.37Å; I87-K89 PolarHBondContact O-N 2.82Å; I87-R112 HydrophobicContact CD1-CG 4.26Å; I87-R112 HydrophobicContact CG2-CG 4.45Å; I87-E113 HydrophobicContact CD1-CG 4.26Å; I87-T116 HydrophobicContact CD1-CG2 4.49Å; I87-T116 HydrophobicContact CG1-CG2 3.98Å
88P74Confident78.4Confident55 Ų5585.6 Ų85.636%0.35748%0.48SS..  trans-54.8128.8176.7-28.336.3000112.3G86 D93 R94G86-P88 WeakPolarHBondContact O-CD 3.24Å; P88-D93 HydrophobicContact CB-CB 3.72Å; P88-D93 HydrophobicContact CG-CB 4.23Å; P88-R94 HydrophobicContact CB-CG 4.34Å; P88-R94 VanDerWaalsContact O-CZ 3.26Å; P88-R94 PolarHBondContact O-NE 3.17Å; P88-R94 PolarHBondContact O-NH2 3.19Å
89K74.1Confident78.2Confident192 Ų19290.3 Ų90.384%0.83551%0.505SS*.SBendtrans-69.3-36.7178.4-69.3-179.7179.3174.20111.6I87 R94I87-K89 PolarHBondContact O-N 2.82Å; K89-R94 PolarHBondContact O-NH2 3.49Å
90N72.6Confident78.1Confident97 Ų9789.9 Ų89.952%0.51951%0.511SS..SBendtrans-62.5142.9169.7-60.6-14000110.3D93 R94N90-D93 HydrophobicContact CB-CB 4.34Å; N90-D93 VanDerWaalsContact CB-OD2 3.23Å; N90-D93 WeakPolarHBondContact CB-OD2 3.46Å; N90-D93 PolarHBondContact ND2-OD2 3.39Å; N90-R94 WeakPolarHBondContact O-CG 3.46Å; N90-R94 PolarHBondContact O-NE 3.01Å; N90-R94 VanDerWaalsContact O-NE 3.15Å
91P70.2Confident78Confident93 Ų9394.1 Ų94.160%0.60453%0.533SS*.SBendtrans-76-31.4175.729.8-32.9000113.3R94P91-R94 WeakPolarHBondContact O-CB 3.41Å; P91-R94 WeakPolarHBondContact O-CG 3.46Å; P91-R94 PolarHBondContact O-N 3.15Å
92E73.5Confident77.9Confident182 Ų18294.6 Ų94.685%0.8553%0.532SS*.THydrogen-bonded Turntrans-73.3-34.3-174.8-62.4176.2-176.200113R94E92-R94 PolarHBondContact O-N 3.35Å
93D73.6Confident77.9Confident107 Ų10792.7 Ų92.757%0.57252%0.519SS*.THydrogen-bonded Turntrans-71.68.8176.1-66.4-56.8000113.5P88 N90P88-D93 HydrophobicContact CB-CB 3.72Å; P88-D93 HydrophobicContact CG-CB 4.23Å; N90-D93 HydrophobicContact CB-CB 4.34Å; N90-D93 VanDerWaalsContact CB-OD2 3.23Å; N90-D93 WeakPolarHBondContact CB-OD2 3.46Å; N90-D93 PolarHBondContact ND2-OD2 3.39Å
94R78.4Confident78.1Confident80 Ų8097 Ų9730%0.30254%0.542SS..SBendtrans-102.2133.2-175.1-59.8178.4176.1144.92110.9P88 K89 N90 P91 E92P88-R94 HydrophobicContact CB-CG 4.34Å; P88-R94 VanDerWaalsContact O-CZ 3.26Å; P88-R94 PolarHBondContact O-NE 3.17Å; P88-R94 PolarHBondContact O-NH2 3.19Å; K89-R94 PolarHBondContact O-NH2 3.49Å; N90-R94 WeakPolarHBondContact O-CG 3.46Å; N90-R94 PolarHBondContact O-NE 3.01Å; N90-R94 VanDerWaalsContact O-NE 3.15Å; P91-R94 WeakPolarHBondContact O-CB 3.41Å; P91-R94 WeakPolarHBondContact O-CG 3.46Å; P91-R94 PolarHBondContact O-N 3.15Å; E92-R94 PolarHBondContact O-N 3.35Å
95S74.3Confident78.3Confident100 Ų10096.7 Ų96.770%0.69954%0.54SS*.PPolyproline II helixtrans-60.7145.6168.1470000111.4S97S95-S97 PolarHBondContact O-N 3.01Å
96P76.9Confident78.5Confident125 Ų12598.3 Ų98.381%0.81256%0.561SS**PPolyproline II helixtrans-50.5137.4172.3-28.836.1000111.6
97S76.5Confident79Confident75 Ų75102.4 Ų102.452%0.52457%0.566SS.*PPolyproline II helixtrans-85131178.9-71.20000110.6S95 R115S95-S97 PolarHBondContact O-N 3.01Å; S97-R115 VanDerWaalsContact CB-NH2 3.32Å; S97-R115 PolarHBondContact OG-NH2 3.11Å
98P81.5Confident79.4Confident76 Ų76106.9 Ų106.949%0.49458%0.58SS.*PPolyproline II helixtrans-56.2160.3163.8-24.134.3000111.8
99E82.8Confident79.7Confident167 Ų167108.9 Ų108.978%0.7859%0.587SS**PPolyproline II helixtrans-59.9147.3-171-63.9-175.2169.300113.5I101 N110E99-I101 PolarHBondContact O-N 3.4Å; E99-N110 PolarHBondContact O-ND2 3.37Å
100P83.8Confident80.1Confident64 Ų64100.9 Ų100.942%0.41655%0.553SS.*  trans-58.697172.9-29.139.3000113.7Y102 R108P100-Y102 HydrophobicContact CB-CD2 4.25Å; P100-Y102 HydrophobicContact CB-CE2 3.51Å; P100-Y102 WeakPolarHBondContact O-CD2 3.4Å; P100-Y102 WeakPolarHBondContact O-CE2 3.1Å; P100-Y102 PolarHBondContact O-N 2.91Å; P100-R108 HydrophobicContact CB-CG 4.06Å
101I85Confident80.7Confident108 Ų10898 Ų9855%0.55454%0.54SS*.PPolyproline II helixtrans-75.2122.9164.7-54.7174.6000108.2E99 L109 N110E99-I101 PolarHBondContact O-N 3.4Å; I101-L109 PolarHBondContact O-N 3.4Å; I101-N110 HydrophobicContact CB-CB 4Å; I101-N110 HydrophobicContact CG1-CB 4.21Å; I101-N110 PolarHBondContact O-N 3.47Å
102Y85.1Confident81.3Confident145 Ų14597.4 Ų97.457%0.56953%0.525SS*.BIsolated β-bridgetrans-100.2145.7174.9-66-91.6000110.7P100 G106 K107 R108P100-Y102 HydrophobicContact CB-CD2 4.25Å; P100-Y102 HydrophobicContact CB-CE2 3.51Å; P100-Y102 WeakPolarHBondContact O-CD2 3.4Å; P100-Y102 WeakPolarHBondContact O-CE2 3.1Å; P100-Y102 PolarHBondContact O-N 2.91Å; Y102-G106 WeakPolarHBondContact CD1-O 3.45Å; Y102-K107 WeakPolarHBondContact CA-O 3.46Å; Y102-R108 HydrophobicContact CD1-CB 4.07Å; Y102-R108 HydrophobicContact CE1-CB 3.89Å
103S84Confident81.9Confident37 Ų3792.2 Ų92.226%0.25950%0.501SS..PPolyproline II helixtrans-79.7164.4167.4173.30000110.6D105 G106 K107S103-D105 WeakPolarHBondContact CB-OD1 3.2Å; S103-D105 PolarHBondContact O-N 3.31Å; S103-D105 PolarHBondContact OG-OD1 2.9Å; S103-G106 PolarHBondContact O-N 3.47Å; S103-K107 WeakPolarHBondContact CB-O 3.38Å; S103-K107 PolarHBondContact N-O 3.19Å
104S85.7Confident82.5Confident135 Ų13593 Ų9394%0.94450%0.497SS*.THydrogen-bonded Turntrans-62.7-19.9177.150.50000113.7G106S104-G106 VanDerWaalsContact C-N 3.28Å
105D83.9Confident82.8Confident86 Ų8692.3 Ų92.346%0.4649%0.494SS..THydrogen-bonded Turntrans-89.218.117174.2-34.7000113.5S103 K107S103-D105 WeakPolarHBondContact CB-OD1 3.2Å; S103-D105 PolarHBondContact O-N 3.31Å; S103-D105 PolarHBondContact OG-OD1 2.9Å; D105-K107 PolarHBondContact O-N 3.2Å; D105-K107 VanDerWaalsContact O-N 3.15Å; D105-K107 WeakPolarHBondContact OD2-CD 3.32Å; D105-K107 WeakPolarHBondContact OD2-CG 3.24Å; D105-K107 IonicContact OD2-NZ 3.49Å; D105-K107 PolarHBondContact OD2-NZ 2.98Å
106G82.2Confident83.5Confident52 Ų5289.5 Ų89.554%0.53647%0.473SS..SBendtrans72.51.2175.800000115.3Y102 S103 S104Y102-G106 WeakPolarHBondContact CD1-O 3.45Å; S103-G106 PolarHBondContact O-N 3.47Å; S104-G106 VanDerWaalsContact C-N 3.28Å
107K84.3Confident84.1Confident135 Ų13588.7 Ų88.759%0.58745%0.453SS*.  trans-81.5131.7-180-64.1-168.9-17680.10111.4Y102 S103 D105 L109Y102-K107 WeakPolarHBondContact CA-O 3.46Å; S103-K107 WeakPolarHBondContact CB-O 3.38Å; S103-K107 PolarHBondContact N-O 3.19Å; D105-K107 PolarHBondContact O-N 3.2Å; D105-K107 VanDerWaalsContact O-N 3.15Å; D105-K107 WeakPolarHBondContact OD2-CD 3.32Å; D105-K107 WeakPolarHBondContact OD2-CG 3.24Å; D105-K107 IonicContact OD2-NZ 3.49Å; D105-K107 PolarHBondContact OD2-NZ 2.98Å; K107-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact O-N 3.17Å
108R84.5Confident84.7Confident134 Ų13489.7 Ų89.751%0.50645%0.448SS..BIsolated β-bridgetrans-71.8105.8174.8-176.7178.967.4177.7-1110.7P100 Y102P100-R108 HydrophobicContact CB-CG 4.06Å; Y102-R108 HydrophobicContact CD1-CB 4.07Å; Y102-R108 HydrophobicContact CE1-CB 3.89Å
109L80.2Confident85.1Confident96 Ų9692.1 Ų92.150%0.50345%0.451SS..  trans-72.9-41.4178.1-61.5178.5000111.9I101 K107 T111I101-L109 PolarHBondContact O-N 3.4Å; K107-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact O-N 3.17Å; L109-T111 PolarHBondContact O-N 3.45Å
110N82.8Confident85.5Confident25 Ų2585 Ų8513%0.13442%0.419CS..  trans-80.257.4-172.8-166.88.9000113.4E99 I101 R115E99-N110 PolarHBondContact O-ND2 3.37Å; I101-N110 HydrophobicContact CB-CB 4Å; I101-N110 HydrophobicContact CG1-CB 4.21Å; I101-N110 PolarHBondContact O-N 3.47Å; N110-R115 PolarHBondContact O-NH1 3.1Å; N110-R115 WeakPolarHBondContact OD1-CD 3.21Å; N110-R115 VanDerWaalsContact OD1-CG 3.27Å; N110-R115 WeakPolarHBondContact OD1-CG 3.37Å; N110-R115 PolarHBondContact OD1-NH1 2.92Å
111T84.8Confident85.8Confident37 Ų3785.1 Ų85.123%0.22741%0.413CS..  trans-75.1154.2170.566.40000111L109 E113 Y114 R115L109-T111 PolarHBondContact O-N 3.45Å; T111-E113 PolarHBondContact O-N 3.4Å; T111-Y114 PolarHBondContact O-N 2.92Å; T111-Y114 WeakPolarHBondContact OG1-CB 3.46Å; T111-Y114 PolarHBondContact OG1-N 3.46Å; T111-R115 PolarHBondContact O-N 3.22Å
112R84.1Confident86Confident80 Ų8083.1 Ų83.130%0.30240%0.404SS..Hα-helixtrans-60.7-40.1174.7170.2-175.359-138.3-7.7110.4I87 R115 T116I87-R112 HydrophobicContact CD1-CG 4.26Å; I87-R112 HydrophobicContact CG2-CG 4.45Å; R112-R115 PolarHBondContact O-N 3.42Å; R112-T116 PolarHBondContact O-N 3.27Å; R112-T116 PolarHBondContact O-OG1 2.98Å; R112-T116 VanDerWaalsContact O-OG1 3.09Å
113E85.4Confident86.4Confident72 Ų7279.5 Ų79.534%0.33639%0.394SS..Hα-helixtrans-63.2-42.6179.3-63.861.8-137.600110.7L85 I87 T111 R117L85-E113 HydrophobicContact CD1-CB 4.36Å; L85-E113 WeakPolarHBondContact CD1-O 3.49Å; I87-E113 HydrophobicContact CD1-CG 4.26Å; T111-E113 PolarHBondContact O-N 3.4Å; E113-R117 VanDerWaalsContact O-CB 3.23Å; E113-R117 WeakPolarHBondContact O-CB 3.36Å; E113-R117 PolarHBondContact O-N 3.3Å
114Y85.9Confident86.8Confident124 Ų12478.5 Ų78.549%0.48639%0.385SS..Hα-helixtrans-65.1-45171.9-178.7-101.7000112T111 T116 R117 K118T111-Y114 PolarHBondContact O-N 2.92Å; T111-Y114 WeakPolarHBondContact OG1-CB 3.46Å; T111-Y114 PolarHBondContact OG1-N 3.46Å; Y114-T116 PolarHBondContact O-N 3.24Å; Y114-R117 PolarHBondContact O-N 3.02Å; Y114-K118 VanDerWaalsContact O-CB 3.31Å; Y114-K118 WeakPolarHBondContact O-CB 3.45Å; Y114-K118 PolarHBondContact O-N 2.89Å
115R86.1Confident87.1Confident66 Ų6673.8 Ų73.825%0.24935%0.348CS..Hα-helixtrans-60.3-45.3177.2-71.4-167.3-58.6-84.93.4112.8S97 N110 T111 R112 K119S97-R115 VanDerWaalsContact CB-NH2 3.32Å; S97-R115 PolarHBondContact OG-NH2 3.11Å; N110-R115 PolarHBondContact O-NH1 3.1Å; N110-R115 WeakPolarHBondContact OD1-CD 3.21Å; N110-R115 VanDerWaalsContact OD1-CG 3.27Å; N110-R115 WeakPolarHBondContact OD1-CG 3.37Å; N110-R115 PolarHBondContact OD1-NH1 2.92Å; T111-R115 PolarHBondContact O-N 3.22Å; R112-R115 PolarHBondContact O-N 3.42Å; R115-K119 WeakPolarHBondContact O-CB 3.47Å; R115-K119 PolarHBondContact O-N 2.71Å
116T88.5Confident87.5Confident41 Ų4172.4 Ų72.425%0.25235%0.348SS..Hα-helixtrans-71-37.8-179.8-50.40000111.6L85 I87 R112 Y114 K119 L120L85-T116 HydrophobicContact CB-CG2 3.87Å; L85-T116 WeakPolarHBondContact O-CG2 3.44Å; I87-T116 HydrophobicContact CD1-CG2 4.49Å; I87-T116 HydrophobicContact CG1-CG2 3.98Å; R112-T116 PolarHBondContact O-N 3.27Å; R112-T116 PolarHBondContact O-OG1 2.98Å; R112-T116 VanDerWaalsContact O-OG1 3.09Å; Y114-T116 PolarHBondContact O-N 3.24Å; T116-K119 PolarHBondContact O-N 3.17Å; T116-L120 WeakPolarHBondContact O-CG 3.31Å; T116-L120 PolarHBondContact O-N 2.99Å
117R89.2Confident88Confident107 Ų10771 Ų7140%0.40433%0.328SS..Hα-helixtrans-60.6-51.8170.9179.9-176.3-65.1-117.4-3111.4L80 L85 E113 Y114 K119 L120 E121L80-R117 HydrophobicContact CD2-CG 3.8Å; L85-R117 HydrophobicContact CD1-CB 4.32Å; L85-R117 HydrophobicContact CD2-CB 4.07Å; E113-R117 VanDerWaalsContact O-CB 3.23Å; E113-R117 WeakPolarHBondContact O-CB 3.36Å; E113-R117 PolarHBondContact O-N 3.3Å; Y114-R117 PolarHBondContact O-N 3.02Å; R117-K119 VanDerWaalsContact C-N 3.31Å; R117-K119 PolarHBondContact O-N 3.29Å; R117-L120 CarbonylContact O-C 3.54Å; R117-L120 WeakPolarHBondContact O-CA 3.31Å; R117-L120 PolarHBondContact O-N 2.79Å; R117-E121 WeakPolarHBondContact CD-OE1 3.36Å; R117-E121 VanDerWaalsContact CG-OE1 3.28Å; R117-E121 WeakPolarHBondContact CG-OE1 3.28Å; R117-E121 PolarHBondContact O-N 3.03Å
118K89Confident88.4Confident97 Ų9764.6 Ų64.642%0.42230%0.3SS..Hα-helixtrans-56.8-45.8178.6-179.3178.4174.4-177.30110.8Y114 L120 E121 D122Y114-K118 VanDerWaalsContact O-CB 3.31Å; Y114-K118 WeakPolarHBondContact O-CB 3.45Å; Y114-K118 PolarHBondContact O-N 2.89Å; K118-L120 VanDerWaalsContact C-N 3.33Å; K118-L120 PolarHBondContact O-N 3.16Å; K118-E121 CarbonylContact O-C 3.58Å; K118-E121 WeakPolarHBondContact O-CA 3.35Å; K118-E121 WeakPolarHBondContact O-CB 3.35Å; K118-E121 PolarHBondContact O-N 3.41Å; K118-D122 WeakPolarHBondContact CE-OD2 3.42Å; K118-D122 WeakPolarHBondContact CG-OD2 3.47Å; K118-D122 PolarHBondContact O-N 2.98Å
119K89.9Confident88.6Confident127 Ų12763.4 Ų63.455%0.55230%0.301SS*.Hα-helixtrans-57.6-44.4175.1178.9169.9176.2173.60112R115 T116 R117 E121 D122 D123R115-K119 WeakPolarHBondContact O-CB 3.47Å; R115-K119 PolarHBondContact O-N 2.71Å; T116-K119 PolarHBondContact O-N 3.17Å; R117-K119 VanDerWaalsContact C-N 3.31Å; R117-K119 PolarHBondContact O-N 3.29Å; K119-E121 PolarHBondContact O-N 3.34Å; K119-D122 PolarHBondContact O-N 3.35Å; K119-D123 WeakPolarHBondContact CE-OD2 3.19Å; K119-D123 WeakPolarHBondContact CG-OD2 3.34Å; K119-D123 IonicContact NZ-OD2 3.07Å; K119-D123 VanDerWaalsContact O-CB 3.24Å; K119-D123 WeakPolarHBondContact O-CB 3.43Å; K119-D123 VanDerWaalsContact O-CG 3.28Å; K119-D123 PolarHBondContact O-N 2.91Å
120L90.9Very high89.2Confident18 Ų1863 Ų639%0.09430%0.296CS..Hα-helixtrans-67.8-21.7176-69.9172.6000113.4M76 R79 L80 L85 T116 R117 K118 R124M76-L120 HydrophobicContact CE-CB 4.17Å; M76-L120 HydrophobicContact CE-CD2 3.62Å; M76-L120 WeakPolarHBondContact CE-O 3.23Å; R79-L120 HydrophobicContact CB-CD1 4.24Å; L80-L120 HydrophobicContact CD2-CB 3.81Å; L80-L120 HydrophobicContact CG-CB 4.21Å; L85-L120 HydrophobicContact CD2-CD1 3.88Å; T116-L120 WeakPolarHBondContact O-CG 3.31Å; T116-L120 PolarHBondContact O-N 2.99Å; R117-L120 CarbonylContact O-C 3.54Å; R117-L120 WeakPolarHBondContact O-CA 3.31Å; R117-L120 PolarHBondContact O-N 2.79Å; K118-L120 VanDerWaalsContact C-N 3.33Å; K118-L120 PolarHBondContact O-N 3.16Å; L120-R124 WeakPolarHBondContact O-CB 3.45Å; L120-R124 PolarHBondContact O-N 2.87Å
121E90.1Very high89.6Confident66 Ų6661.8 Ų61.831%0.30829%0.29SS..Hα-helixtrans-80.4-42172.3-72.3165.1-178.700111.8L80 R117 K118 K119 H125L80-E121 HydrophobicContact CD1-CG 3.85Å; L80-E121 HydrophobicContact CD2-CG 3.82Å; R117-E121 WeakPolarHBondContact CD-OE1 3.36Å; R117-E121 VanDerWaalsContact CG-OE1 3.28Å; R117-E121 WeakPolarHBondContact CG-OE1 3.28Å; R117-E121 PolarHBondContact O-N 3.03Å; K118-E121 CarbonylContact O-C 3.58Å; K118-E121 WeakPolarHBondContact O-CA 3.35Å; K118-E121 WeakPolarHBondContact O-CB 3.35Å; K118-E121 PolarHBondContact O-N 3.41Å; K119-E121 PolarHBondContact O-N 3.34Å; E121-H125 WeakPolarHBondContact O-CB 3.48Å; E121-H125 PolarHBondContact O-N 3.47Å
122D90.5Very high89.8Confident66 Ų6664.6 Ų64.635%0.35330%0.301SS..Hα-helixtrans-67.1-49.8176.5-67-26000111.5K118 K119 R124 H125 A126K118-D122 WeakPolarHBondContact CE-OD2 3.42Å; K118-D122 WeakPolarHBondContact CG-OD2 3.47Å; K118-D122 PolarHBondContact O-N 2.98Å; K119-D122 PolarHBondContact O-N 3.35Å; D122-R124 VanDerWaalsContact C-N 3.31Å; D122-R124 PolarHBondContact O-N 2.86Å; D122-H125 WeakPolarHBondContact O-CB 3.32Å; D122-H125 PolarHBondContact O-N 2.99Å; D122-H125 VanDerWaalsContact O-N 3.11Å; D122-A126 PolarHBondContact O-N 3.46Å
123D92.1Very high90.1Very high69 Ų6968.8 Ų68.837%0.36932%0.324SS..Hα-helixtrans-60.8-39.2176.2-73.7-12.3000110.5M76 K119 A126 L127M76-D123 HydrophobicContact CE-CB 3.32Å; M76-D123 HydrophobicContact SD-CB 4.25Å; K119-D123 WeakPolarHBondContact CE-OD2 3.19Å; K119-D123 WeakPolarHBondContact CG-OD2 3.34Å; K119-D123 IonicContact NZ-OD2 3.07Å; K119-D123 VanDerWaalsContact O-CB 3.24Å; K119-D123 WeakPolarHBondContact O-CB 3.43Å; K119-D123 VanDerWaalsContact O-CG 3.28Å; K119-D123 PolarHBondContact O-N 2.91Å; D123-A126 PolarHBondContact O-N 3.47Å; D123-L127 PolarHBondContact O-N 2.83Å
124R92.4Very high90.4Very high16 Ų1668.2 Ų68.26%0.0632%0.323CS..Hα-helixtrans-66.3-38.2175177.1-176.367.3152-1.4111.1I73 M76 S77 L120 D122 L127 V128 D143I73-R124 HydrophobicContact CG2-CG 4.41Å; M76-R124 HydrophobicContact CB-CB 4.26Å; M76-R124 HydrophobicContact CE-CB 4.17Å; M76-R124 HydrophobicContact SD-CB 4.22Å; S77-R124 WeakPolarHBondContact OG-CD 3.13Å; L120-R124 WeakPolarHBondContact O-CB 3.45Å; L120-R124 PolarHBondContact O-N 2.87Å; D122-R124 VanDerWaalsContact C-N 3.31Å; D122-R124 PolarHBondContact O-N 2.86Å; R124-L127 PolarHBondContact O-N 3.47Å; R124-V128 WeakPolarHBondContact O-CG2 3.27Å; R124-V128 PolarHBondContact O-N 3.02Å; R124-D143 PolarHBondContact NH1-O 3.03Å; R124-D143 PolarHBondContact NH2-O 3.31Å; R124-D143 VanDerWaalsContact NH2-O 3.16Å
125H91.8Very high90.4Very high36 Ų3664.6 Ų64.617%0.16731%0.312CS..Hα-helixtrans-65.2-41.6177.9172.647.3000112E121 D122 L127 V128 Q129 Y144 P147E121-H125 WeakPolarHBondContact O-CB 3.48Å; E121-H125 PolarHBondContact O-N 3.47Å; D122-H125 WeakPolarHBondContact O-CB 3.32Å; D122-H125 PolarHBondContact O-N 2.99Å; D122-H125 VanDerWaalsContact O-N 3.11Å; H125-L127 VanDerWaalsContact C-N 3.34Å; H125-L127 PolarHBondContact O-N 2.98Å; H125-V128 PolarHBondContact O-N 2.8Å; H125-Q129 PolarHBondContact CE1-NE2 3.48Å; H125-Q129 PolarHBondContact NE2-NE2 2.93Å; H125-Q129 WeakPolarHBondContact O-CG 3.41Å; H125-Q129 PolarHBondContact O-N 2.91Å; H125-Y144 HydrophobicContact CB-CE2 4.2Å; H125-Y144 PolarHBondContact CE1-OH 2.83Å; H125-Y144 AromaticContact ND1-CE2 3.83Å; H125-Y144 AromaticContact ND1-CZ 3.77Å; H125-Y144 PolarHBondContact ND1-OH 2.79Å; H125-P147 HydrophobicContact CB-CG 4.05Å; H125-P147 VanDerWaalsContact CG-CD 3.43Å
126A92.5Very high90.6Very high56 Ų5667.4 Ų67.446%0.46334%0.339SS..Hα-helixtrans-58.5-45.1174.400000112D122 D123 Q129 Q130D122-A126 PolarHBondContact O-N 3.46Å; D123-A126 PolarHBondContact O-N 3.47Å; A126-Q129 PolarHBondContact O-N 3.16Å; A126-Q130 PolarHBondContact O-N 3.21Å
127L92.8Very high90.6Very high23 Ų2372.8 Ų72.812%0.1236%0.361CS..Hα-helixtrans-63.6-40.2175.2-68.4174.4000112.7I69 Q72 I73 M76 D123 R124 H125 Q130 L131I69-L127 HydrophobicContact CG2-CB 4.02Å; I69-L127 HydrophobicContact CG2-CD2 4.16Å; I69-L127 WeakPolarHBondContact CG2-O 3.42Å; Q72-L127 HydrophobicContact CB-CD1 3.63Å; I73-L127 HydrophobicContact CD1-CB 4.09Å; I73-L127 HydrophobicContact CG1-CB 3.68Å; I73-L127 HydrophobicContact CG1-CD1 4.41Å; M76-L127 HydrophobicContact SD-CD1 3.79Å; D123-L127 PolarHBondContact O-N 2.83Å; R124-L127 PolarHBondContact O-N 3.47Å; H125-L127 VanDerWaalsContact C-N 3.34Å; H125-L127 PolarHBondContact O-N 2.98Å; L127-Q130 PolarHBondContact O-N 3.43Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 PolarHBondContact O-N 2.85Å
128V92.1Very high90.5Very high0 Ų069.5 Ų69.50%035%0.349CS..Hα-helixtrans-65-40.4175.7170.70000111.7I73 R124 H125 L131 M132 Y138 P140 Y144I73-V128 HydrophobicContact CD1-CG2 3.78Å; I73-V128 HydrophobicContact CG1-CG2 4.07Å; I73-V128 HydrophobicContact CG2-CG2 4.12Å; R124-V128 WeakPolarHBondContact O-CG2 3.27Å; R124-V128 PolarHBondContact O-N 3.02Å; H125-V128 PolarHBondContact O-N 2.8Å; V128-L131 PolarHBondContact O-N 2.67Å; V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 HydrophobicContact CG1-SD 3.96Å; V128-M132 VanDerWaalsContact O-CG 3.31Å; V128-M132 WeakPolarHBondContact O-CG 3.5Å; V128-M132 PolarHBondContact O-N 2.97Å; V128-Y138 HydrophobicContact CG1-CE1 4.34Å; V128-P140 HydrophobicContact CG1-CB 4.12Å; V128-P140 HydrophobicContact CG1-CG 3.85Å; V128-Y144 HydrophobicContact CB-CE2 4Å; V128-Y144 HydrophobicContact CG1-CD1 4.27Å; V128-Y144 HydrophobicContact CG1-CE1 3.69Å; V128-Y144 HydrophobicContact CG1-CE2 4.01Å; V128-Y144 HydrophobicContact CG2-CD2 4.1Å; V128-Y144 HydrophobicContact CG2-CE2 4.09Å; V128-Y144 HydrophobicContact CG2-CG 4.49Å
129Q90.1Very high90.5Very high110 Ų11073 Ų7351%0.51436%0.364SS..Hα-helixtrans-59.2-51.7173.6-70.6-17338.900111H125 A126 L131 M132 E133H125-Q129 PolarHBondContact CE1-NE2 3.48Å; H125-Q129 PolarHBondContact NE2-NE2 2.93Å; H125-Q129 WeakPolarHBondContact O-CG 3.41Å; H125-Q129 PolarHBondContact O-N 2.91Å; A126-Q129 PolarHBondContact O-N 3.16Å; Q129-L131 PolarHBondContact O-N 2.94Å; Q129-M132 PolarHBondContact O-N 3.08Å; Q129-E133 PolarHBondContact O-N 3.44Å
130Q91.5Very high90.3Very high87 Ų8769.1 Ų69.141%0.40735%0.352SS..Hα-helixtrans-59.1-36.4179.1-170.2-177.58.400112.2I69 A126 L127 I134I69-Q130 HydrophobicContact CD1-CG 3.95Å; A126-Q130 PolarHBondContact O-N 3.21Å; L127-Q130 PolarHBondContact O-N 3.43Å; Q130-I134 HydrophobicContact CG-CD1 4.08Å; Q130-I134 VanDerWaalsContact O-CG1 3.3Å; Q130-I134 WeakPolarHBondContact O-CG1 3.39Å; Q130-I134 PolarHBondContact O-N 3.11Å; Q130-I134 VanDerWaalsContact O-N 3.16Å
131L92Very high90Very high0 Ų070 Ų700%036%0.359CS..Hα-helixtrans-72.6-36.9178.4-165.951.4000112.8V66 I69 Q70 I73 L127 V128 Q129 E133 I134 N135 Y138V66-L131 HydrophobicContact CB-CD1 4.05Å; V66-L131 HydrophobicContact CG1-CD1 3.98Å; V66-L131 HydrophobicContact CG2-CD1 3.97Å; I69-L131 HydrophobicContact CB-CD1 4.33Å; I69-L131 HydrophobicContact CG2-CB 3.83Å; I69-L131 HydrophobicContact CG2-CD1 4.27Å; I69-L131 HydrophobicContact CG2-CD2 4.13Å; I69-L131 HydrophobicContact CG2-CG 4.31Å; Q70-L131 HydrophobicContact CB-CD2 4.25Å; I73-L131 HydrophobicContact CD1-CB 4.25Å; I73-L131 HydrophobicContact CD1-CD2 3.59Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 PolarHBondContact O-N 2.85Å; V128-L131 PolarHBondContact O-N 2.67Å; Q129-L131 PolarHBondContact O-N 2.94Å; L131-E133 VanDerWaalsContact C-N 3.35Å; L131-I134 PolarHBondContact O-N 3.25Å; L131-N135 PolarHBondContact O-N 3.3Å; L131-Y138 HydrophobicContact CB-CD1 4.22Å; L131-Y138 HydrophobicContact CB-CE1 4.4Å; L131-Y138 HydrophobicContact CD2-CD1 3.96Å; L131-Y138 HydrophobicContact CD2-CD2 3.6Å; L131-Y138 HydrophobicContact CD2-CE1 3.78Å; L131-Y138 HydrophobicContact CD2-CE2 3.42Å; L131-Y138 VanDerWaalsContact CD2-CE2 3.42Å; L131-Y138 HydrophobicContact CD2-CG 3.87Å; L131-Y138 HydrophobicContact CG-CD1 3.91Å; L131-Y138 HydrophobicContact CG-CD2 3.97Å; L131-Y138 HydrophobicContact CG-CE1 4.19Å; L131-Y138 HydrophobicContact CG-CE2 4.26Å; L131-Y138 HydrophobicContact CG-CG 3.78Å
132M89.9Confident89.6Confident95 Ų9572.1 Ų72.147%0.46838%0.381SS..Hα-helixtrans-69.6-30.7174.3-70.7177.666.100112.7V128 Q129 N135 Y138 P140V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 HydrophobicContact CG1-SD 3.96Å; V128-M132 VanDerWaalsContact O-CG 3.31Å; V128-M132 WeakPolarHBondContact O-CG 3.5Å; V128-M132 PolarHBondContact O-N 2.97Å; Q129-M132 PolarHBondContact O-N 3.08Å; M132-N135 CarbonylContact O-C 3.58Å; M132-Y138 HydrophobicContact CG-CD1 4Å; M132-P140 HydrophobicContact SD-CG 3.97Å
133E89.9Confident89.3Confident168 Ų16872.6 Ų72.679%0.78538%0.383SS*.Hα-helixtrans-68.5-42.4173.1-174.9-177.6-16900111.8Q129 L131Q129-E133 PolarHBondContact O-N 3.44Å; L131-E133 VanDerWaalsContact C-N 3.35Å
134I90.3Very high89Confident60 Ų6071 Ų7131%0.30837%0.372SS..Hα-helixtrans-79-33.4-179.5-61.6166.7000111.9V66 I69 Q130 L131V66-I134 HydrophobicContact CG2-CB 4.4Å; V66-I134 HydrophobicContact CG2-CG2 3.59Å; I69-I134 HydrophobicContact CD1-CD1 3.99Å; Q130-I134 HydrophobicContact CG-CD1 4.08Å; Q130-I134 VanDerWaalsContact O-CG1 3.3Å; Q130-I134 WeakPolarHBondContact O-CG1 3.39Å; Q130-I134 PolarHBondContact O-N 3.11Å; Q130-I134 VanDerWaalsContact O-N 3.16Å; L131-I134 PolarHBondContact O-N 3.25Å
135N87.8Confident88.5Confident49 Ų4978.2 Ų78.226%0.26240%0.404SS..  trans-136.5102.8-179-177.65.5000112.1V66 L131 M132 E137 Y138V66-N135 HydrophobicContact CG2-CB 4.27Å; L131-N135 PolarHBondContact O-N 3.3Å; M132-N135 CarbonylContact O-C 3.58Å; N135-E137 PolarHBondContact O-N 3.17Å; N135-E137 WeakPolarHBondContact OD1-CB 3.23Å; N135-E137 PolarHBondContact OD1-N 2.85Å; N135-Y138 VanDerWaalsContact O-CB 3.27Å; N135-Y138 WeakPolarHBondContact O-CB 3.3Å; N135-Y138 PolarHBondContact O-N 2.89Å; N135-Y138 VanDerWaalsContact O-N 3.11Å
136P88.4Confident87.9Confident124 Ų12479.4 Ų79.481%0.80542%0.42SS*.THydrogen-bonded Turntrans-71.5-11179.230.2-35.9000114.2Y138P136-Y138 VanDerWaalsContact C-N 3.31Å
137E89.1Confident87.1Confident155 Ų15578.6 Ų78.672%0.72441%0.41SS*.THydrogen-bonded Turntrans-81.8-11.3172.1-163.6175.6-174.100112.3N135 K139N135-E137 PolarHBondContact O-N 3.17Å; N135-E137 WeakPolarHBondContact OD1-CB 3.23Å; N135-E137 PolarHBondContact OD1-N 2.85Å; E137-K139 PolarHBondContact O-N 3.45Å
138Y88.2Confident85.9Confident37 Ų3783.7 Ų83.715%0.14543%0.433CS..  trans-62126.2-178.1180-108.6000112.4V128 L131 M132 N135 P136 P140V128-Y138 HydrophobicContact CG1-CE1 4.34Å; L131-Y138 HydrophobicContact CB-CD1 4.22Å; L131-Y138 HydrophobicContact CB-CE1 4.4Å; L131-Y138 HydrophobicContact CD2-CD1 3.96Å; L131-Y138 HydrophobicContact CD2-CD2 3.6Å; L131-Y138 HydrophobicContact CD2-CE1 3.78Å; L131-Y138 HydrophobicContact CD2-CE2 3.42Å; L131-Y138 VanDerWaalsContact CD2-CE2 3.42Å; L131-Y138 HydrophobicContact CD2-CG 3.87Å; L131-Y138 HydrophobicContact CG-CD1 3.91Å; L131-Y138 HydrophobicContact CG-CD2 3.97Å; L131-Y138 HydrophobicContact CG-CE1 4.19Å; L131-Y138 HydrophobicContact CG-CE2 4.26Å; L131-Y138 HydrophobicContact CG-CG 3.78Å; M132-Y138 HydrophobicContact CG-CD1 4Å; N135-Y138 VanDerWaalsContact O-CB 3.27Å; N135-Y138 WeakPolarHBondContact O-CB 3.3Å; N135-Y138 PolarHBondContact O-N 2.89Å; N135-Y138 VanDerWaalsContact O-N 3.11Å; P136-Y138 VanDerWaalsContact C-N 3.31Å; Y138-P140 HydrophobicContact CD1-CG 4.21Å; Y138-P140 HydrophobicContact CE1-CB 4.21Å; Y138-P140 HydrophobicContact CE1-CG 3.97Å
139K87.8Confident84.9Confident172 Ų17289.9 Ų89.975%0.74847%0.466SS*.  trans-105.4110.5176.4-69.6167.5-172165.30108.9E137E137-K139 PolarHBondContact O-N 3.45Å
140P86.9Confident84.4Confident44 Ų4489.5 Ų89.529%0.28646%0.46SS..  trans-60153.8178.5-25.835.2000113.1V128 M132 Y138 Y144V128-P140 HydrophobicContact CG1-CB 4.12Å; V128-P140 HydrophobicContact CG1-CG 3.85Å; M132-P140 HydrophobicContact SD-CG 3.97Å; Y138-P140 HydrophobicContact CD1-CG 4.21Å; Y138-P140 HydrophobicContact CE1-CB 4.21Å; Y138-P140 HydrophobicContact CE1-CG 3.97Å; P140-Y144 HydrophobicContact CB-CD1 3.43Å; P140-Y144 VanDerWaalsContact CB-CD1 3.43Å; P140-Y144 HydrophobicContact CB-CE1 4Å; P140-Y144 HydrophobicContact CB-CG 4.1Å; P140-Y144 HydrophobicContact CG-CD1 4.14Å; P140-Y144 HydrophobicContact CG-CE1 4.22Å
141P83.1Confident84.3Confident37 Ų3789.1 Ų89.124%0.2446%0.46CS..  trans-61152.8179.7-22.934.2000112.9I73 D143 Y144I73-P141 HydrophobicContact CG2-CG 4.17Å; P141-D143 PolarHBondContact O-N 3.07Å; P141-D143 VanDerWaalsContact O-N 3.12Å; P141-Y144 VanDerWaalsContact O-CB 3.31Å; P141-Y144 WeakPolarHBondContact O-CB 3.38Å; P141-Y144 PolarHBondContact O-N 2.88Å
142S82.6Confident84.3Confident110 Ų11092.8 Ų92.877%0.76948%0.483SS*.THydrogen-bonded Turntrans-58.1-27.8178.3500000114.3Y144S142-Y144 VanDerWaalsContact C-N 3.31Å
143D83.5Confident84.5Confident76 Ų7691.4 Ų91.441%0.40648%0.477SS..THydrogen-bonded Turntrans-86.72.5176.5-38.5-93.6000113.5K81 R124 P141K81-D143 WeakPolarHBondContact CE-OD1 3.22Å; K81-D143 WeakPolarHBondContact CE-OD2 3.5Å; K81-D143 VanDerWaalsContact NZ-CG 3.35Å; K81-D143 IonicContact NZ-OD1 3.05Å; K81-D143 IonicContact NZ-OD2 2.86Å; K81-D143 PolarHBondContact NZ-OD2 3.48Å; R124-D143 PolarHBondContact NH1-O 3.03Å; R124-D143 PolarHBondContact NH2-O 3.31Å; R124-D143 VanDerWaalsContact NH2-O 3.16Å; P141-D143 PolarHBondContact O-N 3.07Å; P141-D143 VanDerWaalsContact O-N 3.12Å
144Y86.4Confident84.6Confident35 Ų3586.9 Ų86.914%0.13746%0.455CS..  trans-88.4117.5168.4170.7-101.7000109.3H125 V128 P140 P141 S142 A146H125-Y144 HydrophobicContact CB-CE2 4.2Å; H125-Y144 PolarHBondContact CE1-OH 2.83Å; H125-Y144 AromaticContact ND1-CE2 3.83Å; H125-Y144 AromaticContact ND1-CZ 3.77Å; H125-Y144 PolarHBondContact ND1-OH 2.79Å; V128-Y144 HydrophobicContact CB-CE2 4Å; V128-Y144 HydrophobicContact CG1-CD1 4.27Å; V128-Y144 HydrophobicContact CG1-CE1 3.69Å; V128-Y144 HydrophobicContact CG1-CE2 4.01Å; V128-Y144 HydrophobicContact CG2-CD2 4.1Å; V128-Y144 HydrophobicContact CG2-CE2 4.09Å; V128-Y144 HydrophobicContact CG2-CG 4.49Å; P140-Y144 HydrophobicContact CB-CD1 3.43Å; P140-Y144 VanDerWaalsContact CB-CD1 3.43Å; P140-Y144 HydrophobicContact CB-CE1 4Å; P140-Y144 HydrophobicContact CB-CG 4.1Å; P140-Y144 HydrophobicContact CG-CD1 4.14Å; P140-Y144 HydrophobicContact CG-CE1 4.22Å; P141-Y144 VanDerWaalsContact O-CB 3.31Å; P141-Y144 WeakPolarHBondContact O-CB 3.38Å; P141-Y144 PolarHBondContact O-N 2.88Å; S142-Y144 VanDerWaalsContact C-N 3.31Å; Y144-A146 HydrophobicContact CE1-CB 4.02Å
145K82.5Confident84.9Confident169 Ų16984.4 Ų84.474%0.73544%0.443SS*.  trans-110.5119.3164.2-59.8-171.5-172.9-56.60105.8P147K145-P147 WeakPolarHBondContact O-CD 3.26Å
146A79.3Confident85.1Confident60 Ų6088 Ų8850%0.49646%0.456SS..  trans-57.9126.7174.500000108.9Y144 Q148Y144-A146 HydrophobicContact CE1-CB 4.02Å; A146-Q148 PolarHBondContact O-N 3.04Å
147P74.2Confident85.3Confident39 Ų3982.4 Ų82.425%0.25342%0.42SS..  trans-51.5115.3172.4-30.338.1000110.4H125 K145 N149H125-P147 HydrophobicContact CB-CG 4.05Å; H125-P147 VanDerWaalsContact CG-CD 3.43Å; K145-P147 WeakPolarHBondContact O-CD 3.26Å; P147-N149 PolarHBondContact O-N 2.94Å
148Q68.8Low85.3Confident131 Ų13176.9 Ų76.961%0.61240%0.397SS*.  trans-79.854.5179.7-170.872.1110.200109.6A146 R150A146-Q148 PolarHBondContact O-N 3.04Å; Q148-R150 HydrophobicContact CG-CG 4.19Å; Q148-R150 PolarHBondContact O-N 2.98Å; Q148-R150 VanDerWaalsContact OE1-NH2 3.11Å
149N69.9Low85.2Confident130 Ų13078.1 Ų78.170%0.69540%0.404SS*.  trans-69.675.9174.4-76.417.2000109P147 I151P147-N149 PolarHBondContact O-N 2.94Å; N149-I151 PolarHBondContact O-N 2.93Å
150R80.6Confident85.1Confident102 Ų10276.8 Ų76.839%0.38541%0.405SS..  trans-73.3124.3167.7-65.7175.3-178.7-88.8-10.6107.5Q148 S223 A224Q148-R150 HydrophobicContact CG-CG 4.19Å; Q148-R150 PolarHBondContact O-N 2.98Å; Q148-R150 VanDerWaalsContact OE1-NH2 3.11Å; R150-S223 VanDerWaalsContact CB-OG 3.27Å; R150-S223 WeakPolarHBondContact CB-OG 3.29Å; R150-S223 WeakPolarHBondContact CD-OG 3.43Å; R150-A224 CarbonylContact C-O 3.19Å; R150-A224 VanDerWaalsContact CA-O 3.26Å; R150-A224 WeakPolarHBondContact CA-O 3.38Å
151I88.6Confident85.2Confident78 Ų7880.5 Ų80.540%0.442%0.423SS..EExtended strand (participates in β ladder)trans-69.4132.8168.9-63.5160.7000106.3N149 S223 A224 A227 V230N149-I151 PolarHBondContact O-N 2.93Å; I151-S223 WeakPolarHBondContact O-CA 3.01Å; I151-A224 PolarHBondContact N-O 3.49Å; I151-A224 PolarHBondContact O-N 2.98Å; I151-A227 HydrophobicContact CD1-CB 3.96Å; I151-V230 HydrophobicContact CB-CG2 4.18Å; I151-V230 HydrophobicContact CG2-CG2 4Å
152T91.8Very high85.3Confident78 Ų7881.6 Ų81.648%0.47942%0.424SS..EExtended strand (participates in β ladder)trans-126.2135.8-173.853.30000111F221 I222T152-F221 HydrophobicContact CG2-CE1 3.98Å; T152-F221 HydrophobicContact CG2-CE2 4.35Å; T152-F221 HydrophobicContact CG2-CZ 3.53Å; T152-I222 VanDerWaalsContact CA-O 3.22Å; T152-I222 WeakPolarHBondContact CA-O 3.22Å
153D94.4Very high85.5Confident66 Ų6681.3 Ų81.335%0.35342%0.42SS..EExtended strand (participates in β ladder)trans-138.3160.8179.7-169.620.5000111.1I222 V230 V234D153-I222 PolarHBondContact N-O 3.25Å; D153-I222 PolarHBondContact O-N 2.8Å; D153-V230 HydrophobicContact CB-CG1 3.52Å; D153-V234 VanDerWaalsContact OD2-CG2 3.23Å; D153-V234 WeakPolarHBondContact OD2-CG2 3.38Å
154K93.6Very high85.6Confident72 Ų7282.4 Ų82.431%0.31343%0.426SS..EExtended strand (participates in β ladder)trans-125.8113.7-179.3-68.6-167.8-177.7-168.80110.6E216 F221K154-E216 IonicContact NZ-OE1 3.49Å; K154-E216 PolarHBondContact NZ-OE1 3.25Å; K154-E216 IonicContact NZ-OE2 2.93Å; K154-E216 PolarHBondContact NZ-OE2 3.18Å; K154-F221 HydrophobicContact CG-CD2 4.16Å
155V94.6Very high85.6Confident9 Ų981.7 Ų81.76%0.05542%0.424CS..EExtended strand (participates in β ladder)trans-96.9111.9169.4-179.10000108.8H219 A220 I222 V234 I237 I241V155-H219 CarbonylContact O-C 3.52Å; V155-H219 VanDerWaalsContact O-CA 3.24Å; V155-H219 WeakPolarHBondContact O-CA 3.47Å; V155-H219 WeakPolarHBondContact O-CB 3.28Å; V155-A220 PolarHBondContact N-O 2.97Å; V155-A220 PolarHBondContact O-N 3.41Å; V155-I222 HydrophobicContact CG2-CD1 3.72Å; V155-V234 HydrophobicContact CG2-CB 4.25Å; V155-V234 HydrophobicContact CG2-CG1 3.97Å; V155-V234 HydrophobicContact CG2-CG2 3.93Å; V155-I237 HydrophobicContact CB-CG2 4.31Å; V155-I237 HydrophobicContact CG1-CG2 3.98Å; V155-I241 HydrophobicContact CG1-CD1 4.19Å
156F93Very high85.9Confident124 Ų12478.9 Ų78.954%0.54442%0.417SS..EExtended strand (participates in β ladder)trans-70.2143.9174.9-63.9-78.1000111.2P217 H219F156-P217 HydrophobicContact CD1-CG 3.96Å; F156-P217 HydrophobicContact CE1-CG 3.94Å; F156-H219 HydrophobicContact CD1-CB 4.01Å; F156-H219 HydrophobicContact CE1-CB 4.46Å
157I92Very high86.4Confident7 Ų776.2 Ų76.24%0.03639%0.394CS..  trans-114.9120.3-178.1-59.5170.4000107.5Q159 F167 L171 I192 L218 A220 I241I157-Q159 PolarHBondContact O-N 3.21Å; I157-F167 HydrophobicContact CG2-CB 3.57Å; I157-F167 HydrophobicContact CG2-CD1 4.24Å; I157-F167 HydrophobicContact CG2-CD2 3.81Å; I157-F167 HydrophobicContact CG2-CG 3.62Å; I157-L171 HydrophobicContact CD1-CD1 3.59Å; I157-L171 HydrophobicContact CG1-CD1 4.49Å; I157-I192 HydrophobicContact CD1-CG2 4.48Å; I157-L218 HydrophobicContact CB-CB 4.37Å; I157-L218 HydrophobicContact CB-CD2 3.83Å; I157-L218 HydrophobicContact CB-CG 3.99Å; I157-L218 HydrophobicContact CD1-CD2 4.14Å; I157-L218 HydrophobicContact CD1-CG 4.06Å; I157-L218 HydrophobicContact CG2-CD2 3.66Å; I157-L218 HydrophobicContact CG2-CG 4.39Å; I157-L218 PolarHBondContact N-O 2.87Å; I157-A220 HydrophobicContact CD1-CB 4.44Å; I157-I241 HydrophobicContact CG1-CD1 3.92Å
158P89.2Confident87.2Confident39 Ų3975.9 Ų75.925%0.25339%0.392SS..  trans-79.662.4-170.334.2-37.8000112.5D160 N161 H162 I241 I245P158-D160 VanDerWaalsContact C-N 3.33Å; P158-N161 HydrophobicContact CB-CB 4.42Å; P158-N161 PolarHBondContact O-N 2.88Å; P158-H162 PolarHBondContact O-N 2.66Å; P158-I241 HydrophobicContact CG-CG2 4.29Å; P158-I245 HydrophobicContact CG-CD1 3.86Å
159Q87.1Confident88.3Confident62 Ų6271.6 Ų71.629%0.2938%0.383SS..THydrogen-bonded Turntrans-66.1-34.9178.2-173.8174.63.900112I157 N161 H162 P163 L218I157-Q159 PolarHBondContact O-N 3.21Å; Q159-N161 PolarHBondContact O-N 3.12Å; Q159-H162 CarbonylContact O-C 3.47Å; Q159-H162 PolarHBondContact O-N 2.93Å; Q159-H162 VanDerWaalsContact O-N 3.13Å; Q159-P163 WeakPolarHBondContact O-CA 3.39Å; Q159-P163 VanDerWaalsContact O-N 3.14Å; Q159-L218 HydrophobicContact CB-CD2 4.15Å
160D85.3Confident89.3Confident145 Ų14566 Ų6678%0.77535%0.353SS*.THydrogen-bonded Turntrans-65.9-26.8-178.5-54.2-48.4000112.6P158P158-D160 VanDerWaalsContact C-N 3.33Å
161N88.8Confident89.9Confident121 Ų12161.6 Ų61.665%0.64734%0.337SS*.THydrogen-bonded Turntrans-82.8-25.2175.1-63.297.9000113.3P158 Q159P158-N161 HydrophobicContact CB-CB 4.42Å; P158-N161 PolarHBondContact O-N 2.88Å; Q159-N161 PolarHBondContact O-N 3.12Å
162H86Confident90.2Very high60 Ų6060.6 Ų60.628%0.27833%0.332SS..  trans-141.265.7-171.3-64.8-69.8000111.1P158 Q159 D164 I165 F167P158-H162 PolarHBondContact O-N 2.66Å; Q159-H162 CarbonylContact O-C 3.47Å; Q159-H162 PolarHBondContact O-N 2.93Å; Q159-H162 VanDerWaalsContact O-N 3.13Å; H162-D164 VanDerWaalsContact C-OD1 3.28Å; H162-D164 WeakPolarHBondContact CA-OD1 3.38Å; H162-D164 PolarHBondContact O-N 3.23Å; H162-I165 HydrophobicContact CB-CB 4.24Å; H162-I165 HydrophobicContact CB-CD1 3.92Å; H162-I165 HydrophobicContact CB-CG1 4.21Å; H162-I165 PolarHBondContact O-N 2.93Å; H162-I165 VanDerWaalsContact O-N 3.11Å; H162-F167 HydrophobicContact CB-CE2 3.92Å; H162-F167 HydrophobicContact CB-CZ 3.97Å
163P85.1Confident90.2Very high104 Ų10457.5 Ų57.568%0.67532%0.316SS*.THydrogen-bonded Turntrans-70-14.4-17529.5-36.6000113.6Q159Q159-P163 WeakPolarHBondContact O-CA 3.39Å; Q159-P163 VanDerWaalsContact O-N 3.14Å
164D85.9Confident90.2Very high100 Ų10054.7 Ų54.754%0.53530%0.301SS..THydrogen-bonded Turntrans-73.8-29.6171.759.3-48000112.8H162 N166H162-D164 VanDerWaalsContact C-OD1 3.28Å; H162-D164 WeakPolarHBondContact CA-OD1 3.38Å; H162-D164 PolarHBondContact O-N 3.23Å; D164-N166 PolarHBondContact O-ND2 3.19Å
165I86.8Confident90Very high19 Ų1959.9 Ų59.910%0.09732%0.318CS..SBendtrans-89.2116.2-171.9-59.9174.9000111.2H162 F167 G244H162-I165 HydrophobicContact CB-CB 4.24Å; H162-I165 HydrophobicContact CB-CD1 3.92Å; H162-I165 HydrophobicContact CB-CG1 4.21Å; H162-I165 PolarHBondContact O-N 2.93Å; H162-I165 VanDerWaalsContact O-N 3.11Å; I165-F167 VanDerWaalsContact C-N 3.27Å; I165-F167 HydrophobicContact CB-CD2 4.35Å; I165-F167 HydrophobicContact CB-CE1 4.32Å; I165-F167 HydrophobicContact CB-CE2 3.82Å; I165-F167 HydrophobicContact CB-CZ 3.8Å; I165-F167 HydrophobicContact CD1-CZ 4.41Å; I165-F167 HydrophobicContact CG2-CD1 3.89Å; I165-F167 HydrophobicContact CG2-CD2 4.19Å; I165-F167 HydrophobicContact CG2-CE1 3.6Å; I165-F167 HydrophobicContact CG2-CE2 3.92Å; I165-F167 HydrophobicContact CG2-CG 4.18Å; I165-F167 HydrophobicContact CG2-CZ 3.61Å; I165-F167 WeakPolarHBondContact O-CD2 3.46Å; I165-F167 PolarHBondContact O-N 3.15Å; I165-G244 WeakPolarHBondContact CD1-O 3.33Å
166N89.2Confident89.9Confident111 Ų11160 Ų6059%0.59432%0.322SS*.  trans-79.662.5-177.9-80.9-94.3000113.2D164 V168 G169 L170D164-N166 PolarHBondContact O-ND2 3.19Å; N166-V168 VanDerWaalsContact C-N 3.27Å; N166-V168 PolarHBondContact O-N 2.57Å; N166-G169 WeakPolarHBondContact O-CA 3.46Å; N166-G169 PolarHBondContact O-N 2.59Å; N166-L170 PolarHBondContact O-N 2.7Å; N166-L170 VanDerWaalsContact O-N 3.12Å
167F89.8Confident90Very high3 Ų357.8 Ų57.81%0.01332%0.316CS..Hα-helixtrans-51.2-40.8-178.8-62.4-73.7000114.1I157 H162 I165 G169 L170 L171 I241 I245I157-F167 HydrophobicContact CG2-CB 3.57Å; I157-F167 HydrophobicContact CG2-CD1 4.24Å; I157-F167 HydrophobicContact CG2-CD2 3.81Å; I157-F167 HydrophobicContact CG2-CG 3.62Å; H162-F167 HydrophobicContact CB-CE2 3.92Å; H162-F167 HydrophobicContact CB-CZ 3.97Å; I165-F167 VanDerWaalsContact C-N 3.27Å; I165-F167 HydrophobicContact CB-CD2 4.35Å; I165-F167 HydrophobicContact CB-CE1 4.32Å; I165-F167 HydrophobicContact CB-CE2 3.82Å; I165-F167 HydrophobicContact CB-CZ 3.8Å; I165-F167 HydrophobicContact CD1-CZ 4.41Å; I165-F167 HydrophobicContact CG2-CD1 3.89Å; I165-F167 HydrophobicContact CG2-CD2 4.19Å; I165-F167 HydrophobicContact CG2-CE1 3.6Å; I165-F167 HydrophobicContact CG2-CE2 3.92Å; I165-F167 HydrophobicContact CG2-CG 4.18Å; I165-F167 HydrophobicContact CG2-CZ 3.61Å; I165-F167 WeakPolarHBondContact O-CD2 3.46Å; I165-F167 PolarHBondContact O-N 3.15Å; F167-G169 VanDerWaalsContact C-N 3.29Å; F167-G169 PolarHBondContact O-N 2.67Å; F167-L170 PolarHBondContact O-N 2.95Å; F167-L171 WeakPolarHBondContact O-CB 3.46Å; F167-L171 WeakPolarHBondContact O-CG 3.31Å; F167-L171 PolarHBondContact O-N 2.88Å; F167-I241 HydrophobicContact CD1-CG2 4.45Å; F167-I241 HydrophobicContact CE1-CG2 4.15Å; F167-I245 HydrophobicContact CE1-CD1 4.26Å; F167-I245 HydrophobicContact CE1-CG1 3.8Å; F167-I245 HydrophobicContact CZ-CD1 4.18Å; F167-I245 HydrophobicContact CZ-CG1 3.75Å
168V91.2Very high90.1Very high32 Ų3258.5 Ų58.519%0.19432%0.32CS..Hα-helixtrans-61.5-38.6177.8-178.20000111.3N166 I172 I192 L218N166-V168 VanDerWaalsContact C-N 3.27Å; N166-V168 PolarHBondContact O-N 2.57Å; V168-I172 HydrophobicContact CG1-CD1 3.73Å; V168-I172 WeakPolarHBondContact O-CB 3.36Å; V168-I172 VanDerWaalsContact O-CG1 3.23Å; V168-I172 WeakPolarHBondContact O-CG1 3.44Å; V168-I172 PolarHBondContact O-N 2.82Å; V168-I172 VanDerWaalsContact O-N 3.13Å; V168-I192 HydrophobicContact CG1-CD1 4.2Å; V168-I192 HydrophobicContact CG2-CG2 4.47Å; V168-L218 HydrophobicContact CG2-CD1 3.83Å; V168-L218 HydrophobicContact CG2-CD2 3.71Å; V168-L218 HydrophobicContact CG2-CG 4.42Å
169G91.2Very high90.4Very high42 Ų4258.3 Ų58.343%0.43332%0.317SS..Hα-helixtrans-67-43.8175.100000112.2N166 F167 G173N166-G169 WeakPolarHBondContact O-CA 3.46Å; N166-G169 PolarHBondContact O-N 2.59Å; F167-G169 VanDerWaalsContact C-N 3.29Å; F167-G169 PolarHBondContact O-N 2.67Å; G169-G173 PolarHBondContact O-N 3.01Å
170L92Very high90.8Very high13 Ų1361.5 Ų61.57%0.06833%0.33CS..Hα-helixtrans-66.9-38.8-179.8-172.771.2000112.6N166 F167 I240 L254 R255 Q258N166-L170 PolarHBondContact O-N 2.7Å; N166-L170 VanDerWaalsContact O-N 3.12Å; F167-L170 PolarHBondContact O-N 2.95Å; L170-I240 HydrophobicContact CD2-CG2 3.67Å; L170-I240 HydrophobicContact CG-CG2 3.74Å; L170-L254 HydrophobicContact CD1-CD2 4.13Å; L170-L254 HydrophobicContact CD1-CG 4.15Å; L170-L254 HydrophobicContact CG-CD2 4.42Å; L170-R255 HydrophobicContact CD1-CB 3.91Å; L170-Q258 PolarHBondContact O-NE2 2.81Å
171L93.2Very high91.2Very high8 Ų857 Ų574%0.04231%0.313CS..Hα-helixtrans-74.9-34.2177.7-72.3167.3000113I157 F167 I192 I237 I240I157-L171 HydrophobicContact CD1-CD1 3.59Å; I157-L171 HydrophobicContact CG1-CD1 4.49Å; F167-L171 WeakPolarHBondContact O-CB 3.46Å; F167-L171 WeakPolarHBondContact O-CG 3.31Å; F167-L171 PolarHBondContact O-N 2.88Å; L171-I192 HydrophobicContact CB-CD1 3.96Å; L171-I192 HydrophobicContact CD1-CD1 4.28Å; L171-I237 HydrophobicContact CD2-CG1 4.49Å; L171-I237 HydrophobicContact CD2-CG2 4.18Å; L171-I240 HydrophobicContact CD2-CB 4.05Å; L171-I240 HydrophobicContact CD2-CD1 4.26Å; L171-I240 HydrophobicContact CD2-CG2 3.74Å; L171-I240 HydrophobicContact CG-CG2 4.33Å
172I93.4Very high91.5Very high58 Ų5851.9 Ų51.930%0.29729%0.286SS..Hα-helixtrans-80.6-46.4-180-65.2176.3000111.4V168 G176 T178 L179 I192V168-I172 HydrophobicContact CG1-CD1 3.73Å; V168-I172 WeakPolarHBondContact O-CB 3.36Å; V168-I172 VanDerWaalsContact O-CG1 3.23Å; V168-I172 WeakPolarHBondContact O-CG1 3.44Å; V168-I172 PolarHBondContact O-N 2.82Å; V168-I172 VanDerWaalsContact O-N 3.13Å; I172-G176 CarbonylContact O-C 3.5Å; I172-G176 VanDerWaalsContact O-CA 3.28Å; I172-G176 WeakPolarHBondContact O-CA 3.09Å; I172-T178 PolarHBondContact O-N 2.73Å; I172-L179 PolarHBondContact O-N 3.3Å; I172-L179 VanDerWaalsContact O-N 3.13Å; I172-I192 HydrophobicContact CD1-CD1 4.13Å; I172-I192 HydrophobicContact CG1-CD1 3.82Å
173G92.4Very high92Very high13 Ų1351.6 Ų51.613%0.13429%0.285CS..  trans69.4179.6-173.900000114.5G169 R175 G176G169-G173 PolarHBondContact O-N 3.01Å; G173-R175 PolarHBondContact O-N 3.37Å; G173-G176 PolarHBondContact O-N 3.43Å
174P93.7Very high92.5Very high7 Ų755.7 Ų55.75%0.04529%0.292CS..G310 helixtrans-59.7127.9-179.525.1-34.6000111.3G176 N177 E261 L262 L265P174-G176 PolarHBondContact O-N 2.85Å; P174-N177 WeakPolarHBondContact O-CB 3.35Å; P174-N177 PolarHBondContact O-N 2.97Å; P174-E261 HydrophobicContact CB-CG 4.4Å; P174-E261 HydrophobicContact CG-CB 3.94Å; P174-E261 HydrophobicContact CG-CG 3.74Å; P174-E261 VanDerWaalsContact CG-OE2 3.31Å; P174-E261 WeakPolarHBondContact CG-OE2 3.22Å; P174-L262 HydrophobicContact CB-CB 4Å; P174-L262 HydrophobicContact CB-CD1 4.07Å; P174-L265 HydrophobicContact CB-CD1 4.25Å
175R90.8Very high92.9Very high180 Ų18056.2 Ų56.268%0.67930%0.295SS*.G310 helixtrans51.820.4-179.1-53.8-67.9176.5156.7-2.6114.5G173 L265 N266G173-R175 PolarHBondContact O-N 3.37Å; R175-L265 HydrophobicContact CG-CD1 4.06Å; R175-N266 PolarHBondContact NH2-OD1 3.44Å
176G92.4Very high93.3Very high13 Ų1355.7 Ų55.713%0.13429%0.292CS..G310 helixtrans74.618.9-174.100000114.8I172 G173 P174 K180I172-G176 CarbonylContact O-C 3.5Å; I172-G176 VanDerWaalsContact O-CA 3.28Å; I172-G176 WeakPolarHBondContact O-CA 3.09Å; G173-G176 PolarHBondContact O-N 3.43Å; P174-G176 PolarHBondContact O-N 2.85Å; G176-K180 WeakPolarHBondContact O-CD 3.28Å; G176-K180 VanDerWaalsContact O-CG 3.27Å; G176-K180 WeakPolarHBondContact O-CG 3.29Å; G176-K180 PolarHBondContact O-N 3.48Å
177N94.7Very high93.4Very high76 Ų7652.5 Ų52.541%0.40629%0.286SS..Hα-helixtrans-68.9-42.5-176.3-164.625.6000112.2P174 L179 K180 A181 E261P174-N177 WeakPolarHBondContact O-CB 3.35Å; P174-N177 PolarHBondContact O-N 2.97Å; N177-L179 PolarHBondContact O-N 3.35Å; N177-K180 PolarHBondContact O-N 2.86Å; N177-A181 WeakPolarHBondContact O-CB 3.01Å; N177-A181 PolarHBondContact O-N 3.13Å; N177-E261 PolarHBondContact ND2-OE1 3.18Å
178T94.3Very high93.6Very high22 Ų2252.5 Ų52.514%0.13529%0.286CS..Hα-helixtrans-62.8-41.8176.3-52.40000111.7I172 A181 L182 Q258I172-T178 PolarHBondContact O-N 2.73Å; T178-A181 PolarHBondContact O-N 2.88Å; T178-L182 WeakPolarHBondContact O-CB 3.4Å; T178-L182 PolarHBondContact O-N 3.18Å; T178-Q258 PolarHBondContact OG1-NE2 3.03Å
179L94.7Very high93.8Very high36 Ų3656.4 Ų56.419%0.18830%0.301CS..Hα-helixtrans-59.4-48.6173.6-174.763.8000111.7I172 N177 A181 L182 E183 V190I172-L179 PolarHBondContact O-N 3.3Å; I172-L179 VanDerWaalsContact O-N 3.13Å; N177-L179 PolarHBondContact O-N 3.35Å; L179-A181 VanDerWaalsContact C-N 3.32Å; L179-A181 PolarHBondContact O-N 2.79Å; L179-L182 PolarHBondContact O-N 3.06Å; L179-E183 WeakPolarHBondContact O-CG 3.27Å; L179-E183 PolarHBondContact O-N 3.4Å; L179-V190 HydrophobicContact CD1-CB 3.92Å; L179-V190 HydrophobicContact CD1-CG1 3.95Å
180K95.3Very high93.9Very high128 Ų12854.8 Ų54.856%0.55728%0.283SS*.Hα-helixtrans-62.7-36.9178.1-72.9165.7-178.21660112.8G176 N177 K184G176-K180 WeakPolarHBondContact O-CD 3.28Å; G176-K180 VanDerWaalsContact O-CG 3.27Å; G176-K180 WeakPolarHBondContact O-CG 3.29Å; G176-K180 PolarHBondContact O-N 3.48Å; N177-K180 PolarHBondContact O-N 2.86Å; K180-K184 WeakPolarHBondContact O-CB 3.44Å; K180-K184 PolarHBondContact O-N 2.9Å
181A94.9Very high94Very high52 Ų5256.7 Ų56.743%0.4329%0.292SS..Hα-helixtrans-64-46.1174.600000110.6N177 T178 L179 K184 D185N177-A181 WeakPolarHBondContact O-CB 3.01Å; N177-A181 PolarHBondContact O-N 3.13Å; T178-A181 PolarHBondContact O-N 2.88Å; L179-A181 VanDerWaalsContact C-N 3.32Å; L179-A181 PolarHBondContact O-N 2.79Å; A181-K184 PolarHBondContact O-N 2.68Å; A181-D185 WeakPolarHBondContact O-CB 3.42Å; A181-D185 PolarHBondContact O-N 3.43Å
182L94.7Very high93.9Very high13 Ų1357.3 Ų57.37%0.06830%0.295CS..Hα-helixtrans-62.6-44.5176.8-168.2157.5000111.8T178 L179 T186 V190 A233 I237 I240T178-L182 WeakPolarHBondContact O-CB 3.4Å; T178-L182 PolarHBondContact O-N 3.18Å; L179-L182 PolarHBondContact O-N 3.06Å; L182-T186 HydrophobicContact CD2-CG2 4.23Å; L182-T186 WeakPolarHBondContact O-CB 3.25Å; L182-T186 WeakPolarHBondContact O-CG2 3.4Å; L182-T186 PolarHBondContact O-N 2.66Å; L182-T186 PolarHBondContact O-OG1 2.87Å; L182-V190 HydrophobicContact CD2-CG2 3.77Å; L182-A233 HydrophobicContact CD2-CB 4.49Å; L182-I237 HydrophobicContact CD1-CG1 3.91Å; L182-I237 HydrophobicContact CD2-CD1 4.36Å; L182-I237 HydrophobicContact CD2-CG1 4.3Å; L182-I240 HydrophobicContact CD1-CD1 3.81Å
183E95.4Very high93.7Very high54 Ų5459 Ų5925%0.25230%0.298SS..Hα-helixtrans-61.5-44.2174.3-68.9-168.2132.400111.9L179 T186 G187 A188 K189 V190L179-E183 WeakPolarHBondContact O-CG 3.27Å; L179-E183 PolarHBondContact O-N 3.4Å; E183-T186 PolarHBondContact O-OG1 3.4Å; E183-G187 WeakPolarHBondContact O-CA 3.29Å; E183-G187 PolarHBondContact O-N 2.94Å; E183-A188 VanDerWaalsContact CA-O 3.3Å; E183-A188 WeakPolarHBondContact CA-O 3.36Å; E183-A188 WeakPolarHBondContact CB-O 3.37Å; E183-A188 WeakPolarHBondContact CG-O 3.4Å; E183-K189 VanDerWaalsContact OE1-CA 3.29Å; E183-K189 WeakPolarHBondContact OE1-CA 3.3Å; E183-K189 VanDerWaalsContact OE1-CG 3.24Å; E183-K189 WeakPolarHBondContact OE1-CG 3.44Å; E183-V190 HydrophobicContact CG-CB 4.35Å; E183-V190 HydrophobicContact CG-CG2 4.47Å; E183-V190 PolarHBondContact OE1-N 2.89Å
184K95.5Very high93.4Very high190 Ų19059 Ų5983%0.82630%0.298SS*.Hα-helixtrans-64.5-41.2179.6179.8-178175.5-1740113K180 A181K180-K184 WeakPolarHBondContact O-CB 3.44Å; K180-K184 PolarHBondContact O-N 2.9Å; A181-K184 PolarHBondContact O-N 2.68Å
185D95.2Very high92.9Very high111 Ų11164.3 Ų64.359%0.59432%0.32SS*.Hα-helixtrans-82.4-17.4-175.6178.917.2000112.5A181 K236A181-D185 WeakPolarHBondContact O-CB 3.42Å; A181-D185 PolarHBondContact O-N 3.43Å; D185-K236 IonicContact OD1-NZ 3.18Å; D185-K236 PolarHBondContact OD1-NZ 3.21Å; D185-K236 IonicContact OD2-NZ 2.71Å; D185-K236 PolarHBondContact OD2-NZ 2.95Å
186T94.5Very high92.4Very high7 Ų758 Ų584%0.04331%0.312CS..Hα-helixtrans-103.3-26.3176.159.30000113.7L182 E183 A188 C229 A233 K236L182-T186 HydrophobicContact CD2-CG2 4.23Å; L182-T186 WeakPolarHBondContact O-CB 3.25Å; L182-T186 WeakPolarHBondContact O-CG2 3.4Å; L182-T186 PolarHBondContact O-N 2.66Å; L182-T186 PolarHBondContact O-OG1 2.87Å; E183-T186 PolarHBondContact O-OG1 3.4Å; T186-A188 PolarHBondContact O-N 3.21Å; T186-A188 PolarHBondContact OG1-N 2.75Å; T186-C229 VanDerWaalsContact O-CB 3.28Å; T186-C229 WeakPolarHBondContact O-CB 3.3Å; T186-C229 PolarHBondContact O-SG 3.37Å; T186-A233 HydrophobicContact CG2-CB 3.8Å; T186-K236 HydrophobicContact CG2-CD 3.91Å
187G92.2Very high91.9Very high45 Ų4558.5 Ų58.546%0.46431%0.313SS..SBendtrans71.67.7-167.100000113.6E183E183-G187 WeakPolarHBondContact O-CA 3.29Å; E183-G187 PolarHBondContact O-N 2.94Å
188A94.4Very high91.1Very high3 Ų358.4 Ų58.43%0.02532%0.315CS..  trans-99.5145.6176.600000110.8E183 T186 I222 A224 A233E183-A188 VanDerWaalsContact CA-O 3.3Å; E183-A188 WeakPolarHBondContact CA-O 3.36Å; E183-A188 WeakPolarHBondContact CB-O 3.37Å; E183-A188 WeakPolarHBondContact CG-O 3.4Å; T186-A188 PolarHBondContact O-N 3.21Å; T186-A188 PolarHBondContact OG1-N 2.75Å; A188-I222 HydrophobicContact CB-CG2 3.84Å; A188-A224 HydrophobicContact CB-CB 3.7Å; A188-A233 HydrophobicContact CB-CB 3.85Å
189K94.5Very high90.2Very high113 Ų11366 Ų6649%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-85.8134.1167.6-169.4178.5-176.2173.80109.4E183 I191 I222 S223E183-K189 VanDerWaalsContact OE1-CA 3.29Å; E183-K189 WeakPolarHBondContact OE1-CA 3.3Å; E183-K189 VanDerWaalsContact OE1-CG 3.24Å; E183-K189 WeakPolarHBondContact OE1-CG 3.44Å; K189-I191 HydrophobicContact CD-CD1 4.29Å; K189-I191 HydrophobicContact CG-CG1 4.4Å; K189-I222 CarbonylContact O-C 3.35Å; K189-I222 WeakPolarHBondContact O-CA 3.31Å; K189-S223 WeakPolarHBondContact CB-O 3.29Å; K189-S223 PolarHBondContact N-O 3.46Å; K189-S223 PolarHBondContact O-N 3.13Å
190V94.6Very high88.9Confident9 Ų972.9 Ų72.96%0.05538%0.377CS..EExtended strand (participates in β ladder)trans-125.6124.6-176.4-179.30000110.4L179 L182 E183 A220 I222 I237L179-V190 HydrophobicContact CD1-CB 3.92Å; L179-V190 HydrophobicContact CD1-CG1 3.95Å; L182-V190 HydrophobicContact CD2-CG2 3.77Å; E183-V190 HydrophobicContact CG-CB 4.35Å; E183-V190 HydrophobicContact CG-CG2 4.47Å; E183-V190 PolarHBondContact OE1-N 2.89Å; V190-A220 HydrophobicContact CG1-CB 4.34Å; V190-I222 HydrophobicContact CG2-CG1 4.37Å; V190-I222 HydrophobicContact CG2-CG2 4.48Å; V190-I237 HydrophobicContact CG1-CD1 3.86Å; V190-I237 HydrophobicContact CG2-CD1 4.16Å
191I92.6Very high87.3Confident53 Ų5370.4 Ų70.427%0.27239%0.388SS..EExtended strand (participates in β ladder)trans-130.8114.2-175.7-52.5176.9000108.1K189 R193 F221K189-I191 HydrophobicContact CD-CD1 4.29Å; K189-I191 HydrophobicContact CG-CG1 4.4Å; I191-R193 HydrophobicContact CG2-CG 4.16Å; I191-F221 PolarHBondContact N-O 2.99Å; I191-F221 WeakPolarHBondContact O-CB 3.45Å; I191-F221 PolarHBondContact O-N 3.41Å
192I92Very high85.8Confident21 Ų2176.3 Ų76.311%0.10840%0.404CS..EExtended strand (participates in β ladder)trans-72.6139171.8-48.3-177.7000108.6I157 V168 L171 I172 S197 L218 H219I157-I192 HydrophobicContact CD1-CG2 4.48Å; V168-I192 HydrophobicContact CG1-CD1 4.2Å; V168-I192 HydrophobicContact CG2-CG2 4.47Å; L171-I192 HydrophobicContact CB-CD1 3.96Å; L171-I192 HydrophobicContact CD1-CD1 4.28Å; I172-I192 HydrophobicContact CD1-CD1 4.13Å; I172-I192 HydrophobicContact CG1-CD1 3.82Å; I192-S197 WeakPolarHBondContact CG2-OG 3.21Å; I192-S197 PolarHBondContact O-OG 2.83Å; I192-S197 VanDerWaalsContact O-OG 3.14Å; I192-L218 HydrophobicContact CG2-CD1 3.7Å; I192-H219 WeakPolarHBondContact CA-O 3.45Å
193R89.4Confident84.1Confident92 Ų9280.4 Ų80.435%0.34743%0.429SS..EExtended strand (participates in β ladder)trans-145.8172.9179.3-70.2-162-175.7110.8-0.8111.1I191 S197 H219 F221I191-R193 HydrophobicContact CG2-CG 4.16Å; R193-S197 PolarHBondContact N-OG 2.92Å; R193-H219 PolarHBondContact N-O 3.3Å; R193-H219 PolarHBondContact O-N 2.93Å; R193-F221 VanDerWaalsContact NH1-CD2 3.33Å
194G86.6Confident82.3Confident13 Ų1380 Ų8013%0.13444%0.439CS..SBendtrans88.7-176.7-179.700000113.5S197 E216G194-S197 WeakPolarHBondContact O-CB 3.47Å; G194-S197 PolarHBondContact O-N 3.48Å; G194-S197 VanDerWaalsContact O-N 3.09Å; G194-E216 CarbonylContact C-O 3.57Å; G194-E216 WeakPolarHBondContact CA-O 3.41Å
195K82.3Confident80.4Confident120 Ų12078.9 Ų78.952%0.52243%0.429SS..THydrogen-bonded Turntrans-52.3137.5179.1-68.2168.2174.3149.90110.8S197 E214 D215 E216 L218K195-S197 PolarHBondContact O-N 2.96Å; K195-E214 WeakPolarHBondContact CG-O 3.36Å; K195-D215 WeakPolarHBondContact CE-O 3.46Å; K195-D215 PolarHBondContact NZ-O 3.49Å; K195-E216 PolarHBondContact N-O 2.99Å; K195-L218 WeakPolarHBondContact O-CB 3.45Å; K195-L218 WeakPolarHBondContact O-CD1 3.43Å
196G79.6Confident78.6Confident48 Ų4885.9 Ų85.950%0.49545%0.447SS..THydrogen-bonded Turntrans74.5-9.3-176.800000116.5V198G196-V198 VanDerWaalsContact C-N 3.28Å; G196-V198 PolarHBondContact O-N 2.91Å
197S81.6Confident76.9Confident23 Ų2391.1 Ų91.116%0.16148%0.475CS..  trans-67.1-22.8-175.8-178.60000114.8I192 R193 G194 K195I192-S197 WeakPolarHBondContact CG2-OG 3.21Å; I192-S197 PolarHBondContact O-OG 2.83Å; I192-S197 VanDerWaalsContact O-OG 3.14Å; R193-S197 PolarHBondContact N-OG 2.92Å; G194-S197 WeakPolarHBondContact O-CB 3.47Å; G194-S197 PolarHBondContact O-N 3.48Å; G194-S197 VanDerWaalsContact O-N 3.09Å; K195-S197 PolarHBondContact O-N 2.96Å
198V77.8Confident75.4Confident73 Ų7392.3 Ų92.344%0.44249%0.487SS..SBendtrans-105125.8176.9179.70000108G196 E200 K202 V203G196-V198 VanDerWaalsContact C-N 3.28Å; G196-V198 PolarHBondContact O-N 2.91Å; V198-E200 PolarHBondContact O-N 2.87Å; V198-E200 VanDerWaalsContact O-N 3.16Å; V198-K202 HydrophobicContact CG1-CB 4.29Å; V198-K202 WeakPolarHBondContact CG1-O 3.34Å; V198-V203 HydrophobicContact CG1-CG2 4.42Å
199K75.9Confident74Confident181 Ų18198.2 Ų98.279%0.78752%0.518SS*.  trans-58124.2174.6-178.5167.3-178168.20109.5K202K199-K202 PolarHBondContact O-N 2.81Å
200E66.9Low72.2Confident182 Ų18297 Ų9785%0.8552%0.521SS*.THydrogen-bonded Turntrans-47.7137.2179.8-163.8172.6-166.500111.6V198V198-E200 PolarHBondContact O-N 2.87Å; V198-E200 VanDerWaalsContact O-N 3.16Å
201G63.2Low70.6Confident75 Ų75100 Ų10077%0.77354%0.537SS*.THydrogen-bonded Turntrans85-0.3-170.300000116
202K62.8Low69.2Low177 Ų177104 Ų10477%0.7757%0.566SS**SBendtrans-118.425.5167.1-65.5-166.1175-170.70113.6V198 K199V198-K202 HydrophobicContact CG1-CB 4.29Å; V198-K202 WeakPolarHBondContact CG1-O 3.34Å; K199-K202 PolarHBondContact O-N 2.81Å
203V60.2Low67.8Low99 Ų99104.2 Ų104.260%0.657%0.574SS**  trans-78.5140-171.1-179.90000112V198V198-V203 HydrophobicContact CG1-CG2 4.42Å
204G57.3Low66.6Low44 Ų44102.9 Ų102.945%0.45457%0.571SS.*SBendtrans78.8164.5161.100000117
205R55Low65.9Low168 Ų168108.4 Ų108.463%0.63460%0.598SS**  trans-73.9160153.8-57.1-176.5-177.5-153.41.9108.3D207 G208R205-D207 HydrophobicContact CB-CB 4.44Å; R205-D207 VanDerWaalsContact CB-OD2 3.3Å; R205-D207 WeakPolarHBondContact CB-OD2 3.45Å; R205-D207 PolarHBondContact O-N 2.81Å; R205-G208 PolarHBondContact O-N 2.87Å
206R56.4Low66Low257 Ų257106 Ų10697%0.9759%0.589SS**THydrogen-bonded Turntrans-57.6-18.4171.8-80.5-173.6170.6-174.7-2.9113.5G208R206-G208 VanDerWaalsContact C-N 3.29Å; R206-G208 PolarHBondContact O-N 2.84Å
207D60.8Low66.4Low118 Ų118106.7 Ų106.763%0.63158%0.584SS**THydrogen-bonded Turntrans-83.92.5-169.4-35.1-52.9000113.7R205 L209R205-D207 HydrophobicContact CB-CB 4.44Å; R205-D207 VanDerWaalsContact CB-OD2 3.3Å; R205-D207 WeakPolarHBondContact CB-OD2 3.45Å; R205-D207 PolarHBondContact O-N 2.81Å; D207-L209 PolarHBondContact O-N 3.11Å
208G59.2Low66.9Low69 Ų69105.9 Ų105.971%0.71158%0.578SS**  trans69.1-5.8176.500000116.2R205 R206R205-G208 PolarHBondContact O-N 2.87Å; R206-G208 VanDerWaalsContact C-N 3.29Å; R206-G208 PolarHBondContact O-N 2.84Å
209L64.7Low67.6Low128 Ų128102.4 Ų102.467%0.6756%0.557SS**PPolyproline II helixtrans-70.3120.9177.1-127.971.6000110.3D207D207-L209 PolarHBondContact O-N 3.11Å
210P58Low68.4Low87 Ų8793.8 Ų93.857%0.56552%0.52SS*.PPolyproline II helixtrans-62.9141.6176.626.7-34.2000110E214P210-E214 WeakPolarHBondContact CA-OE2 3.24Å; P210-E214 WeakPolarHBondContact CB-OE2 3.32Å
211L61Low69.7Low73 Ų7387.1 Ų87.138%0.38249%0.488SS..PPolyproline II helixtrans-70.8132.4176.1-60.4171.6000109.3G213 E214L211-G213 PolarHBondContact O-N 3.11Å; L211-E214 HydrophobicContact CB-CG 4.11Å; L211-E214 WeakPolarHBondContact CB-OE1 3.04Å; L211-E214 VanDerWaalsContact CG-OE1 3.25Å; L211-E214 WeakPolarHBondContact CG-OE1 3.39Å; L211-E214 PolarHBondContact N-OE1 2.9Å; L211-E214 PolarHBondContact N-OE2 3.2Å; L211-E214 PolarHBondContact O-N 2.87Å
212P62.7Low71.3Confident136 Ų13683.5 Ų83.588%0.88345%0.451SS*.THydrogen-bonded Turntrans-62.7108.7-179.224.7-33.5000110.1
213G61.8Low72.7Confident26 Ų2675.8 Ų75.827%0.26842%0.419SS..THydrogen-bonded Turntrans120.1-0.4-172.100000115.5L211 D215 E216L211-G213 PolarHBondContact O-N 3.11Å; G213-D215 PolarHBondContact O-N 3.36Å; G213-E216 PolarHBondContact O-N 2.96Å
214E65.1Low74.3Confident63 Ų6371 Ų7129%0.29439%0.39SS..THydrogen-bonded Turntrans-66.9-21171.3-78.7170.1-166.600113.2K195 P210 L211K195-E214 WeakPolarHBondContact CG-O 3.36Å; P210-E214 WeakPolarHBondContact CA-OE2 3.24Å; P210-E214 WeakPolarHBondContact CB-OE2 3.32Å; L211-E214 HydrophobicContact CB-CG 4.11Å; L211-E214 WeakPolarHBondContact CB-OE1 3.04Å; L211-E214 VanDerWaalsContact CG-OE1 3.25Å; L211-E214 WeakPolarHBondContact CG-OE1 3.39Å; L211-E214 PolarHBondContact N-OE1 2.9Å; L211-E214 PolarHBondContact N-OE2 3.2Å; L211-E214 PolarHBondContact O-N 2.87Å
215D72.1Confident75.8Confident130 Ų13073.1 Ų73.170%0.69540%0.396SS*.THydrogen-bonded Turntrans-76.5-22.5175.6-65.3-65000114.4K195 G213K195-D215 WeakPolarHBondContact CE-O 3.46Å; K195-D215 PolarHBondContact NZ-O 3.49Å; G213-D215 PolarHBondContact O-N 3.36Å
216E84Confident77.4Confident70 Ų7067.4 Ų67.433%0.32738%0.382SS..SBendtrans-71.7147-179-62.9-168.9149.900110.9K154 G194 K195 G213 H219K154-E216 IonicContact NZ-OE1 3.49Å; K154-E216 PolarHBondContact NZ-OE1 3.25Å; K154-E216 IonicContact NZ-OE2 2.93Å; K154-E216 PolarHBondContact NZ-OE2 3.18Å; G194-E216 CarbonylContact C-O 3.57Å; G194-E216 WeakPolarHBondContact CA-O 3.41Å; K195-E216 PolarHBondContact N-O 2.99Å; G213-E216 PolarHBondContact O-N 2.96Å; E216-H219 IonicContact OE2-CE1 3.57Å; E216-H219 PolarHBondContact OE2-CE1 2.94Å; E216-H219 IonicContact OE2-ND1 2.66Å; E216-H219 IonicContact OE2-NE2 2.67Å; E216-H219 PolarHBondContact OE2-NE2 3.19Å
217P88.6Confident79Confident61 Ų6157.5 Ų57.540%0.39636%0.355SS..PPolyproline II helixtrans-62.9161.9172.528.3-35.5000111.3F156 H219F156-P217 HydrophobicContact CD1-CG 3.96Å; F156-P217 HydrophobicContact CE1-CG 3.94Å; P217-H219 PolarHBondContact O-N 3.03Å; P217-H219 PolarHBondContact O-ND1 2.83Å
218L91.6Very high80.5Confident6 Ų657.3 Ų57.33%0.03135%0.35CS..SBendtrans-56.5123.4-177.7-173.670.5000110.7I157 Q159 V168 I192 K195I157-L218 HydrophobicContact CB-CB 4.37Å; I157-L218 HydrophobicContact CB-CD2 3.83Å; I157-L218 HydrophobicContact CB-CG 3.99Å; I157-L218 HydrophobicContact CD1-CD2 4.14Å; I157-L218 HydrophobicContact CD1-CG 4.06Å; I157-L218 HydrophobicContact CG2-CD2 3.66Å; I157-L218 HydrophobicContact CG2-CG 4.39Å; I157-L218 PolarHBondContact N-O 2.87Å; Q159-L218 HydrophobicContact CB-CD2 4.15Å; V168-L218 HydrophobicContact CG2-CD1 3.83Å; V168-L218 HydrophobicContact CG2-CD2 3.71Å; V168-L218 HydrophobicContact CG2-CG 4.42Å; I192-L218 HydrophobicContact CG2-CD1 3.7Å; K195-L218 WeakPolarHBondContact O-CB 3.45Å; K195-L218 WeakPolarHBondContact O-CD1 3.43Å
219H92.4Very high82.2Confident0 Ų055.2 Ų55.20%032%0.324CS..EExtended strand (participates in β ladder)trans-149.4149.7179.766.6-83.5000112.7V155 F156 I192 R193 E216 P217V155-H219 CarbonylContact O-C 3.52Å; V155-H219 VanDerWaalsContact O-CA 3.24Å; V155-H219 WeakPolarHBondContact O-CA 3.47Å; V155-H219 WeakPolarHBondContact O-CB 3.28Å; F156-H219 HydrophobicContact CD1-CB 4.01Å; F156-H219 HydrophobicContact CE1-CB 4.46Å; I192-H219 WeakPolarHBondContact CA-O 3.45Å; R193-H219 PolarHBondContact N-O 3.3Å; R193-H219 PolarHBondContact O-N 2.93Å; E216-H219 IonicContact OE2-CE1 3.57Å; E216-H219 PolarHBondContact OE2-CE1 2.94Å; E216-H219 IonicContact OE2-ND1 2.66Å; E216-H219 IonicContact OE2-NE2 2.67Å; E216-H219 PolarHBondContact OE2-NE2 3.19Å; P217-H219 PolarHBondContact O-N 3.03Å; P217-H219 PolarHBondContact O-ND1 2.83Å
220A93.7Very high83.6Confident1 Ų149.3 Ų49.31%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-89.3115.1166.300000109.4V155 I157 V190 I237V155-A220 PolarHBondContact N-O 2.97Å; V155-A220 PolarHBondContact O-N 3.41Å; I157-A220 HydrophobicContact CD1-CB 4.44Å; V190-A220 HydrophobicContact CG1-CB 4.34Å; A220-I237 HydrophobicContact CB-CD1 4.22Å; A220-I237 HydrophobicContact CB-CG2 4.21Å
221F94.1Very high85.4Confident41 Ų4149 Ų4918%0.1829%0.287CS..EExtended strand (participates in β ladder)trans-88.5119.3171.3-179.3-89.1000109.8T152 K154 I191 R193T152-F221 HydrophobicContact CG2-CE1 3.98Å; T152-F221 HydrophobicContact CG2-CE2 4.35Å; T152-F221 HydrophobicContact CG2-CZ 3.53Å; K154-F221 HydrophobicContact CG-CD2 4.16Å; I191-F221 PolarHBondContact N-O 2.99Å; I191-F221 WeakPolarHBondContact O-CB 3.45Å; I191-F221 PolarHBondContact O-N 3.41Å; R193-F221 VanDerWaalsContact NH1-CD2 3.33Å
222I95.3Very high87Confident0 Ų050 Ų500%029%0.288CS..EExtended strand (participates in β ladder)trans-107140.3-174.5-55.8168.1000108.4T152 D153 V155 A188 K189 V190 V230 A233 V234 I237T152-I222 VanDerWaalsContact CA-O 3.22Å; T152-I222 WeakPolarHBondContact CA-O 3.22Å; D153-I222 PolarHBondContact N-O 3.25Å; D153-I222 PolarHBondContact O-N 2.8Å; V155-I222 HydrophobicContact CG2-CD1 3.72Å; A188-I222 HydrophobicContact CB-CG2 3.84Å; K189-I222 CarbonylContact O-C 3.35Å; K189-I222 WeakPolarHBondContact O-CA 3.31Å; V190-I222 HydrophobicContact CG2-CG1 4.37Å; V190-I222 HydrophobicContact CG2-CG2 4.48Å; I222-V230 HydrophobicContact CB-CG1 4.4Å; I222-V230 HydrophobicContact CG2-CB 4.42Å; I222-V230 HydrophobicContact CG2-CG1 3.96Å; I222-V230 HydrophobicContact CG2-CG2 4.46Å; I222-A233 HydrophobicContact CD1-CB 4.32Å; I222-A233 HydrophobicContact CG2-CB 3.86Å; I222-V234 HydrophobicContact CD1-CB 4.34Å; I222-V234 HydrophobicContact CD1-CG2 3.47Å; I222-V234 VanDerWaalsContact CD1-CG2 3.47Å; I222-I237 HydrophobicContact CD1-CD1 3.61Å; I222-I237 HydrophobicContact CG1-CD1 3.87Å
223S93.4Very high88.6Confident14 Ų1443.5 Ų43.510%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-147.8109.4-177.5-171.10000112.4R150 I151 K189R150-S223 VanDerWaalsContact CB-OG 3.27Å; R150-S223 WeakPolarHBondContact CB-OG 3.29Å; R150-S223 WeakPolarHBondContact CD-OG 3.43Å; I151-S223 WeakPolarHBondContact O-CA 3.01Å; K189-S223 WeakPolarHBondContact CB-O 3.29Å; K189-S223 PolarHBondContact N-O 3.46Å; K189-S223 PolarHBondContact O-N 3.13Å
224A92.7Very high90.2Very high0 Ų043.5 Ų43.50%024%0.241CC..EExtended strand (participates in β ladder)trans-133.9160.4-173.600000112.7R150 I151 A188 S226 C229 V230R150-A224 CarbonylContact C-O 3.19Å; R150-A224 VanDerWaalsContact CA-O 3.26Å; R150-A224 WeakPolarHBondContact CA-O 3.38Å; I151-A224 PolarHBondContact N-O 3.49Å; I151-A224 PolarHBondContact O-N 2.98Å; A188-A224 HydrophobicContact CB-CB 3.7Å; A224-S226 VanDerWaalsContact C-N 3.33Å; A224-C229 HydrophobicContact CB-CB 3.58Å; A224-V230 HydrophobicContact CB-CG2 3.61Å
225P88.6Confident91.7Very high87 Ų8747.4 Ų47.457%0.56526%0.257SS*.SBendtrans-78.8-13.4177.332.7-35.8000114
226S88.5Confident92.8Very high49 Ų4944.6 Ų44.634%0.34324%0.239SC..SBendtrans-132.8145.6179.3173.80000110.5A224 E228 C229 V230A224-S226 VanDerWaalsContact C-N 3.33Å; S226-E228 VanDerWaalsContact C-N 3.31Å; S226-E228 PolarHBondContact O-N 3.09Å; S226-E228 PolarHBondContact OG-N 3.11Å; S226-C229 WeakPolarHBondContact O-CB 3.41Å; S226-C229 PolarHBondContact O-N 3.3Å; S226-V230 PolarHBondContact O-N 3.14Å
227A91.2Very high93.3Very high48 Ų4841.3 Ų41.340%0.39722%0.223SC..Hα-helixtrans-58.1-44.1177.400000111.2I151 C229 V230 D231I151-A227 HydrophobicContact CD1-CB 3.96Å; A227-C229 PolarHBondContact O-N 3.46Å; A227-V230 WeakPolarHBondContact O-CA 3.24Å; A227-V230 WeakPolarHBondContact O-CB 3.43Å; A227-V230 PolarHBondContact O-N 3.18Å; A227-D231 PolarHBondContact O-N 3.23Å
228E92.9Very high93.6Very high114 Ų11441.6 Ų41.653%0.53322%0.221SC..Hα-helixtrans-59.2-33.7179.7-64.9-173.7-154.900113.2S226 V230 D231 K232S226-E228 VanDerWaalsContact C-N 3.31Å; S226-E228 PolarHBondContact O-N 3.09Å; S226-E228 PolarHBondContact OG-N 3.11Å; E228-V230 VanDerWaalsContact C-N 3.34Å; E228-D231 PolarHBondContact O-N 3.44Å; E228-K232 VanDerWaalsContact O-CB 3.29Å; E228-K232 WeakPolarHBondContact O-CB 3.47Å; E228-K232 WeakPolarHBondContact O-CD 3.36Å; E228-K232 WeakPolarHBondContact O-CG 3.44Å; E228-K232 PolarHBondContact O-N 2.79Å; E228-K232 IonicContact OE2-NZ 2.71Å; E228-K232 PolarHBondContact OE2-NZ 3.24Å
229C93.2Very high93.6Very high26 Ų2644.7 Ų44.718%0.17624%0.236CC..Hα-helixtrans-68.8-36.1177.1-70.90000111.2T186 A224 S226 A227 A233T186-C229 VanDerWaalsContact O-CB 3.28Å; T186-C229 WeakPolarHBondContact O-CB 3.3Å; T186-C229 PolarHBondContact O-SG 3.37Å; A224-C229 HydrophobicContact CB-CB 3.58Å; S226-C229 WeakPolarHBondContact O-CB 3.41Å; S226-C229 PolarHBondContact O-N 3.3Å; A227-C229 PolarHBondContact O-N 3.46Å; C229-A233 WeakPolarHBondContact O-CB 3.11Å; C229-A233 PolarHBondContact O-N 3.13Å; C229-A233 VanDerWaalsContact O-N 3.13Å
230V94.7Very high93.6Very high4 Ų445.6 Ų45.62%0.02424%0.24CC..Hα-helixtrans-64.9-52.7171.5-175.50000109.5I151 D153 I222 A224 S226 A227 E228 K232 A233 V234I151-V230 HydrophobicContact CB-CG2 4.18Å; I151-V230 HydrophobicContact CG2-CG2 4Å; D153-V230 HydrophobicContact CB-CG1 3.52Å; I222-V230 HydrophobicContact CB-CG1 4.4Å; I222-V230 HydrophobicContact CG2-CB 4.42Å; I222-V230 HydrophobicContact CG2-CG1 3.96Å; I222-V230 HydrophobicContact CG2-CG2 4.46Å; A224-V230 HydrophobicContact CB-CG2 3.61Å; S226-V230 PolarHBondContact O-N 3.14Å; A227-V230 WeakPolarHBondContact O-CA 3.24Å; A227-V230 WeakPolarHBondContact O-CB 3.43Å; A227-V230 PolarHBondContact O-N 3.18Å; E228-V230 VanDerWaalsContact C-N 3.34Å; V230-K232 VanDerWaalsContact C-N 3.29Å; V230-K232 PolarHBondContact O-N 2.97Å; V230-A233 CarbonylContact O-C 3.49Å; V230-A233 WeakPolarHBondContact O-CA 3.43Å; V230-A233 WeakPolarHBondContact O-CB 3.15Å; V230-A233 PolarHBondContact O-N 3.4Å; V230-V234 HydrophobicContact CG1-CG2 4.01Å; V230-V234 VanDerWaalsContact O-CG2 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.46Å; V230-V234 PolarHBondContact O-N 2.9Å
231D95.2Very high93.5Very high80 Ų8046 Ų4643%0.42824%0.242SC..Hα-helixtrans-56.2-41.3179.3-67.6-28000112.9A227 E228 A233 K235A227-D231 PolarHBondContact O-N 3.23Å; E228-D231 PolarHBondContact O-N 3.44Å; D231-A233 VanDerWaalsContact C-N 3.34Å; D231-K235 WeakPolarHBondContact O-CB 3.48Å; D231-K235 WeakPolarHBondContact O-CD 3.21Å; D231-K235 VanDerWaalsContact O-CG 3.22Å; D231-K235 WeakPolarHBondContact O-CG 3.36Å; D231-K235 PolarHBondContact O-N 2.82Å
232K95.8Very high93.4Very high94 Ų9449.7 Ų49.741%0.40926%0.255SS..Hα-helixtrans-65.5-36.1177-72.1161.4-164.1167.10111.4E228 V230 K236E228-K232 VanDerWaalsContact O-CB 3.29Å; E228-K232 WeakPolarHBondContact O-CB 3.47Å; E228-K232 WeakPolarHBondContact O-CD 3.36Å; E228-K232 WeakPolarHBondContact O-CG 3.44Å; E228-K232 PolarHBondContact O-N 2.79Å; E228-K232 IonicContact OE2-NZ 2.71Å; E228-K232 PolarHBondContact OE2-NZ 3.24Å; V230-K232 VanDerWaalsContact C-N 3.29Å; V230-K232 PolarHBondContact O-N 2.97Å; K232-K236 WeakPolarHBondContact O-CG 3.41Å; K232-K236 PolarHBondContact O-N 3.36Å
233A95.8Very high93.1Very high0 Ų052.5 Ų52.50%027%0.268CS..Hα-helixtrans-73.4-45.817400000112.6L182 T186 A188 I222 C229 V230 D231 K235 K236 I237L182-A233 HydrophobicContact CD2-CB 4.49Å; T186-A233 HydrophobicContact CG2-CB 3.8Å; A188-A233 HydrophobicContact CB-CB 3.85Å; I222-A233 HydrophobicContact CD1-CB 4.32Å; I222-A233 HydrophobicContact CG2-CB 3.86Å; C229-A233 WeakPolarHBondContact O-CB 3.11Å; C229-A233 PolarHBondContact O-N 3.13Å; C229-A233 VanDerWaalsContact O-N 3.13Å; V230-A233 CarbonylContact O-C 3.49Å; V230-A233 WeakPolarHBondContact O-CA 3.43Å; V230-A233 WeakPolarHBondContact O-CB 3.15Å; V230-A233 PolarHBondContact O-N 3.4Å; D231-A233 VanDerWaalsContact C-N 3.34Å; A233-K235 VanDerWaalsContact C-N 3.29Å; A233-K235 PolarHBondContact O-N 3.27Å; A233-K236 PolarHBondContact O-N 2.85Å; A233-I237 WeakPolarHBondContact O-CB 3.48Å; A233-I237 VanDerWaalsContact O-CG1 3.3Å; A233-I237 WeakPolarHBondContact O-CG1 3.2Å; A233-I237 PolarHBondContact O-N 3.45Å
234V96Very high92.9Very high26 Ų2652.2 Ų52.216%0.15827%0.268CS..Hα-helixtrans-53.9-46.8175.4171.40000110.5D153 V155 I222 V230 I237 N238D153-V234 VanDerWaalsContact OD2-CG2 3.23Å; D153-V234 WeakPolarHBondContact OD2-CG2 3.38Å; V155-V234 HydrophobicContact CG2-CB 4.25Å; V155-V234 HydrophobicContact CG2-CG1 3.97Å; V155-V234 HydrophobicContact CG2-CG2 3.93Å; I222-V234 HydrophobicContact CD1-CB 4.34Å; I222-V234 HydrophobicContact CD1-CG2 3.47Å; I222-V234 VanDerWaalsContact CD1-CG2 3.47Å; V230-V234 HydrophobicContact CG1-CG2 4.01Å; V230-V234 VanDerWaalsContact O-CG2 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.46Å; V230-V234 PolarHBondContact O-N 2.9Å; V234-I237 PolarHBondContact O-N 3.1Å; V234-N238 WeakPolarHBondContact CG1-ND2 3.4Å; V234-N238 WeakPolarHBondContact O-CB 3.22Å; V234-N238 PolarHBondContact O-N 3.41Å; V234-N238 PolarHBondContact O-ND2 3.25Å
235K95.8Very high92.7Very high144 Ų14455.3 Ų55.363%0.62628%0.283SS*.Hα-helixtrans-62.7-45.5178.2-73164.4-173.9168.40112.2D231 A233 E239D231-K235 WeakPolarHBondContact O-CB 3.48Å; D231-K235 WeakPolarHBondContact O-CD 3.21Å; D231-K235 VanDerWaalsContact O-CG 3.22Å; D231-K235 WeakPolarHBondContact O-CG 3.36Å; D231-K235 PolarHBondContact O-N 2.82Å; A233-K235 VanDerWaalsContact C-N 3.29Å; A233-K235 PolarHBondContact O-N 3.27Å; K235-E239 WeakPolarHBondContact O-CB 3.44Å; K235-E239 PolarHBondContact O-N 3.07Å
236K94.6Very high92.5Very high72 Ų7257.7 Ų57.731%0.31329%0.287SS..Hα-helixtrans-67.8-37.7178.8-71.2176.3-174.7-179.10112.8D185 T186 K232 A233 E239 I240D185-K236 IonicContact OD1-NZ 3.18Å; D185-K236 PolarHBondContact OD1-NZ 3.21Å; D185-K236 IonicContact OD2-NZ 2.71Å; D185-K236 PolarHBondContact OD2-NZ 2.95Å; T186-K236 HydrophobicContact CG2-CD 3.91Å; K232-K236 WeakPolarHBondContact O-CG 3.41Å; K232-K236 PolarHBondContact O-N 3.36Å; A233-K236 PolarHBondContact O-N 2.85Å; K236-E239 PolarHBondContact O-N 2.97Å; K236-I240 VanDerWaalsContact O-CG1 3.31Å; K236-I240 WeakPolarHBondContact O-CG1 3.25Å; K236-I240 PolarHBondContact O-N 3.42Å
237I95.1Very high92.3Very high1 Ų158.1 Ų58.11%0.00529%0.285CS..Hα-helixtrans-67.7-47177.1-69.4163.3000110.6V155 L171 L182 V190 A220 I222 A233 V234 E239 I240 I241V155-I237 HydrophobicContact CB-CG2 4.31Å; V155-I237 HydrophobicContact CG1-CG2 3.98Å; L171-I237 HydrophobicContact CD2-CG1 4.49Å; L171-I237 HydrophobicContact CD2-CG2 4.18Å; L182-I237 HydrophobicContact CD1-CG1 3.91Å; L182-I237 HydrophobicContact CD2-CD1 4.36Å; L182-I237 HydrophobicContact CD2-CG1 4.3Å; V190-I237 HydrophobicContact CG1-CD1 3.86Å; V190-I237 HydrophobicContact CG2-CD1 4.16Å; A220-I237 HydrophobicContact CB-CD1 4.22Å; A220-I237 HydrophobicContact CB-CG2 4.21Å; I222-I237 HydrophobicContact CD1-CD1 3.61Å; I222-I237 HydrophobicContact CG1-CD1 3.87Å; A233-I237 WeakPolarHBondContact O-CB 3.48Å; A233-I237 VanDerWaalsContact O-CG1 3.3Å; A233-I237 WeakPolarHBondContact O-CG1 3.2Å; A233-I237 PolarHBondContact O-N 3.45Å; V234-I237 PolarHBondContact O-N 3.1Å; I237-E239 VanDerWaalsContact C-N 3.28Å; I237-E239 PolarHBondContact O-N 3.35Å; I237-I240 PolarHBondContact O-N 2.89Å; I237-I241 HydrophobicContact CG2-CD1 3.78Å; I237-I241 VanDerWaalsContact O-CG1 3.28Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 2.68Å
238N94.6Very high91.7Very high67 Ų6759.3 Ų59.336%0.35829%0.289SS..Hα-helixtrans-61.7-35.2175.5-78.6-64.7000112.5V234 I241 R242V234-N238 WeakPolarHBondContact CG1-ND2 3.4Å; V234-N238 WeakPolarHBondContact O-CB 3.22Å; V234-N238 PolarHBondContact O-N 3.41Å; V234-N238 PolarHBondContact O-ND2 3.25Å; N238-I241 PolarHBondContact O-N 3.32Å; N238-R242 WeakPolarHBondContact O-CB 3.44Å; N238-R242 PolarHBondContact O-N 2.84Å
239E92.8Very high90.9Very high70 Ų7058.6 Ų58.633%0.32729%0.285SS..Hα-helixtrans-68.9-40.1175.8-175.856.3-158.600112.4K235 K236 I237 I241 R242 Q243K235-E239 WeakPolarHBondContact O-CB 3.44Å; K235-E239 PolarHBondContact O-N 3.07Å; K236-E239 PolarHBondContact O-N 2.97Å; I237-E239 VanDerWaalsContact C-N 3.28Å; I237-E239 PolarHBondContact O-N 3.35Å; E239-I241 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 2.71Å; E239-R242 PolarHBondContact O-N 3.19Å; E239-R242 IonicContact OE2-CZ 3.4Å; E239-R242 IonicContact OE2-NH1 2.74Å; E239-R242 PolarHBondContact OE2-NH1 2.89Å; E239-Q243 WeakPolarHBondContact O-CB 3.28Å; E239-Q243 VanDerWaalsContact O-CG 3.29Å; E239-Q243 WeakPolarHBondContact O-CG 3.19Å; E239-Q243 PolarHBondContact O-N 3.32Å; E239-Q243 PolarHBondContact OE1-NE2 3.07Å
240I92Very high89.8Confident20 Ų2062 Ų6210%0.10331%0.31CS..Hα-helixtrans-65.2-38.2173.3-66.6164.2000111.2L170 L171 L182 K236 I237 G244 L254L170-I240 HydrophobicContact CD2-CG2 3.67Å; L170-I240 HydrophobicContact CG-CG2 3.74Å; L171-I240 HydrophobicContact CD2-CB 4.05Å; L171-I240 HydrophobicContact CD2-CD1 4.26Å; L171-I240 HydrophobicContact CD2-CG2 3.74Å; L171-I240 HydrophobicContact CG-CG2 4.33Å; L182-I240 HydrophobicContact CD1-CD1 3.81Å; K236-I240 VanDerWaalsContact O-CG1 3.31Å; K236-I240 WeakPolarHBondContact O-CG1 3.25Å; K236-I240 PolarHBondContact O-N 3.42Å; I237-I240 PolarHBondContact O-N 2.89Å; I240-G244 PolarHBondContact O-N 3.25Å; I240-L254 HydrophobicContact CD1-CD2 4.48Å; I240-L254 HydrophobicContact CG1-CD2 3.97Å; I240-L254 HydrophobicContact CG2-CD2 4.02Å
241I92.1Very high89.1Confident10 Ų1068.2 Ų68.25%0.05134%0.339CS..Hα-helixtrans-65.2-46.2174.8-66.5163.1000110.3V155 I157 P158 F167 I237 N238 E239 G244 I245V155-I241 HydrophobicContact CG1-CD1 4.19Å; I157-I241 HydrophobicContact CG1-CD1 3.92Å; P158-I241 HydrophobicContact CG-CG2 4.29Å; F167-I241 HydrophobicContact CD1-CG2 4.45Å; F167-I241 HydrophobicContact CE1-CG2 4.15Å; I237-I241 HydrophobicContact CG2-CD1 3.78Å; I237-I241 VanDerWaalsContact O-CG1 3.28Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 2.68Å; N238-I241 PolarHBondContact O-N 3.32Å; E239-I241 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 2.71Å; I241-G244 WeakPolarHBondContact O-CA 3.47Å; I241-G244 PolarHBondContact O-N 3.12Å; I241-G244 VanDerWaalsContact O-N 3.11Å; I241-I245 HydrophobicContact CG2-CD1 3.9Å; I241-I245 WeakPolarHBondContact O-CG1 3.49Å; I241-I245 PolarHBondContact O-N 2.94Å; I241-I245 VanDerWaalsContact O-N 3.11Å
242R90.7Very high88.7Confident117 Ų11764.7 Ų64.744%0.44232%0.319SS..Hα-helixtrans-55-54.6174.6176.6-177.1-73.5112.94.1111.3N238 E239 G244 I245 E246N238-R242 WeakPolarHBondContact O-CB 3.44Å; N238-R242 PolarHBondContact O-N 2.84Å; E239-R242 PolarHBondContact O-N 3.19Å; E239-R242 IonicContact OE2-CZ 3.4Å; E239-R242 IonicContact OE2-NH1 2.74Å; E239-R242 PolarHBondContact OE2-NH1 2.89Å; R242-G244 PolarHBondContact O-N 3.13Å; R242-I245 PolarHBondContact O-N 2.88Å; R242-E246 WeakPolarHBondContact CD-OE1 3.33Å; R242-E246 WeakPolarHBondContact CD-OE2 3.36Å; R242-E246 HydrophobicContact CG-CG 3.97Å; R242-E246 VanDerWaalsContact CG-OE1 3.25Å; R242-E246 WeakPolarHBondContact CG-OE1 3.34Å; R242-E246 VanDerWaalsContact CG-OE2 3.29Å; R242-E246 WeakPolarHBondContact CG-OE2 3.23Å; R242-E246 IonicContact NE-OE1 3.35Å; R242-E246 PolarHBondContact O-N 2.89Å
243Q89.5Confident88.4Confident59 Ų5965.9 Ų65.928%0.27633%0.33SS..Hα-helixtrans-61.2-27.2179-69.7174.613.100112.2E239 I247 N252E239-Q243 WeakPolarHBondContact O-CB 3.28Å; E239-Q243 VanDerWaalsContact O-CG 3.29Å; E239-Q243 WeakPolarHBondContact O-CG 3.19Å; E239-Q243 PolarHBondContact O-N 3.32Å; E239-Q243 PolarHBondContact OE1-NE2 3.07Å; Q243-I247 HydrophobicContact CB-CD1 4.29Å; Q243-I247 HydrophobicContact CG-CD1 4.26Å; Q243-I247 WeakPolarHBondContact O-CB 3.45Å; Q243-I247 PolarHBondContact O-N 3.23Å; Q243-N252 PolarHBondContact O-ND2 2.83Å
244G88.4Confident88.1Confident9 Ų968.1 Ų68.19%0.09334%0.342CS..Hα-helixtrans-69-34.5171.800000114.1I165 I240 I241 R242I165-G244 WeakPolarHBondContact CD1-O 3.33Å; I240-G244 PolarHBondContact O-N 3.25Å; I241-G244 WeakPolarHBondContact O-CA 3.47Å; I241-G244 PolarHBondContact O-N 3.12Å; I241-G244 VanDerWaalsContact O-N 3.11Å; R242-G244 PolarHBondContact O-N 3.13Å
245I88.5Confident87.8Confident64 Ų6469.6 Ų69.633%0.32835%0.345SS..Hα-helixtrans-90-47.1-176.8-63.3166.1000111.8P158 F167 I241 R242P158-I245 HydrophobicContact CG-CD1 3.86Å; F167-I245 HydrophobicContact CE1-CD1 4.26Å; F167-I245 HydrophobicContact CE1-CG1 3.8Å; F167-I245 HydrophobicContact CZ-CD1 4.18Å; F167-I245 HydrophobicContact CZ-CG1 3.75Å; I241-I245 HydrophobicContact CG2-CD1 3.9Å; I241-I245 WeakPolarHBondContact O-CG1 3.49Å; I241-I245 PolarHBondContact O-N 2.94Å; I241-I245 VanDerWaalsContact O-N 3.11Å; R242-I245 PolarHBondContact O-N 2.88Å
246E86.1Confident87.5Confident137 Ų13769.8 Ų69.864%0.6434%0.342SS*.Hα-helixtrans-77.3-27.8-174-68178.2-176.300112.8R242R242-E246 WeakPolarHBondContact CD-OE1 3.33Å; R242-E246 WeakPolarHBondContact CD-OE2 3.36Å; R242-E246 HydrophobicContact CG-CG 3.97Å; R242-E246 VanDerWaalsContact CG-OE1 3.25Å; R242-E246 WeakPolarHBondContact CG-OE1 3.34Å; R242-E246 VanDerWaalsContact CG-OE2 3.29Å; R242-E246 WeakPolarHBondContact CG-OE2 3.23Å; R242-E246 IonicContact NE-OE1 3.35Å; R242-E246 PolarHBondContact O-N 2.89Å
247I84Confident87.4Confident58 Ų5868.5 Ų68.530%0.29735%0.345SS..SBendtrans-112.8112.9-174.9-48.6176.4000109.6Q243 Q251 N252Q243-I247 HydrophobicContact CB-CD1 4.29Å; Q243-I247 HydrophobicContact CG-CD1 4.26Å; Q243-I247 WeakPolarHBondContact O-CB 3.45Å; Q243-I247 PolarHBondContact O-N 3.23Å; I247-Q251 HydrophobicContact CG2-CB 3.57Å; I247-N252 HydrophobicContact CB-CB 4.44Å; I247-N252 HydrophobicContact CG2-CB 4.15Å
248P77.7Confident87.3Confident73 Ų7369.2 Ų69.247%0.47435%0.348SS..  trans-63.6157.2-177.726.7-34.8000112.1S250 Q251 N252P248-S250 PolarHBondContact O-N 3.34Å; P248-Q251 HydrophobicContact CG-CG 4.48Å; P248-Q251 PolarHBondContact O-N 2.92Å; P248-N252 PolarHBondContact O-N 3.32Å
249E75.4Confident87.1Confident99 Ų9970.7 Ų70.746%0.46336%0.355SS..THydrogen-bonded Turntrans-52.6-30.2-163.3-48.3-158136.500115.8R255E249-R255 IonicContact OE1-CZ 2.72Å; E249-R255 IonicContact OE1-NH1 2.57Å; E249-R255 PolarHBondContact OE1-NH1 2.91Å; E249-R255 IonicContact OE1-NH2 3.8Å; E249-R255 PolarHBondContact OE1-NH2 3.39Å; E249-R255 IonicContact OE2-CZ 3.67Å; E249-R255 IonicContact OE2-NH1 2.7Å; E249-R255 IonicContact OE2-NH2 2.67Å; E249-R255 PolarHBondContact OE2-NH2 2.86Å
250S71.9Confident87Confident99 Ų9972.5 Ų72.569%0.69236%0.359SS*.THydrogen-bonded Turntrans-79.5-20.4-178.6560000114.5P248P248-S250 PolarHBondContact O-N 3.34Å
251Q79.8Confident87Confident134 Ų13474.2 Ų74.263%0.62637%0.367SS*.THydrogen-bonded Turntrans-105-13.6-178-65.1-178.15.900112.9I247 P248 D253I247-Q251 HydrophobicContact CG2-CB 3.57Å; P248-Q251 HydrophobicContact CG-CG 4.48Å; P248-Q251 PolarHBondContact O-N 2.92Å; Q251-D253 PolarHBondContact O-N 2.96Å; Q251-D253 VanDerWaalsContact O-N 3.1Å
252N86.7Confident87.1Confident5 Ų576.9 Ų76.93%0.02738%0.381CS..  trans-73.8101.7-179.5-174.4-60.1000111.3Q243 I247 P248 L254 R255 R256Q243-N252 PolarHBondContact O-ND2 2.83Å; I247-N252 HydrophobicContact CB-CB 4.44Å; I247-N252 HydrophobicContact CG2-CB 4.15Å; P248-N252 PolarHBondContact O-N 3.32Å; N252-L254 VanDerWaalsContact C-N 3.33Å; N252-L254 PolarHBondContact O-N 3.41Å; N252-L254 PolarHBondContact OD1-N 3.3Å; N252-R255 HydrophobicContact CB-CB 4.06Å; N252-R255 PolarHBondContact O-N 3.46Å; N252-R255 WeakPolarHBondContact OD1-CB 3.43Å; N252-R255 PolarHBondContact OD1-N 3.27Å; N252-R256 PolarHBondContact O-N 2.73Å
253D89.8Confident87.1Confident119 Ų11972.2 Ų72.264%0.63637%0.367SS*.Hα-helixtrans-62-34.1-177.2-83.1-42.8000113.8Q251 R256 A257Q251-D253 PolarHBondContact O-N 2.96Å; Q251-D253 VanDerWaalsContact O-N 3.1Å; D253-R256 PolarHBondContact O-N 3.38Å; D253-A257 WeakPolarHBondContact O-CB 3.27Å; D253-A257 PolarHBondContact O-N 2.91Å
254L88.8Confident87.2Confident48 Ų4874.7 Ų74.725%0.25138%0.382SS..Hα-helixtrans-63.1-48.3176.1176.162.6000110.8L170 I240 N252 R256 A257 Q258L170-L254 HydrophobicContact CD1-CD2 4.13Å; L170-L254 HydrophobicContact CD1-CG 4.15Å; L170-L254 HydrophobicContact CG-CD2 4.42Å; I240-L254 HydrophobicContact CD1-CD2 4.48Å; I240-L254 HydrophobicContact CG1-CD2 3.97Å; I240-L254 HydrophobicContact CG2-CD2 4.02Å; N252-L254 VanDerWaalsContact C-N 3.33Å; N252-L254 PolarHBondContact O-N 3.41Å; N252-L254 PolarHBondContact OD1-N 3.3Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.47Å; L254-A257 PolarHBondContact O-N 3.01Å; L254-Q258 WeakPolarHBondContact O-CB 3.43Å; L254-Q258 WeakPolarHBondContact O-CG 3.3Å; L254-Q258 PolarHBondContact O-N 3.19Å
255R89Confident87.3Confident57 Ų5778.4 Ų78.422%0.21540%0.399CS..Hα-helixtrans-61.8-40.9175.6-172.7173.8176.2155.8-7.4111.2L170 E249 N252 Q258 L259L170-R255 HydrophobicContact CD1-CB 3.91Å; E249-R255 IonicContact OE1-CZ 2.72Å; E249-R255 IonicContact OE1-NH1 2.57Å; E249-R255 PolarHBondContact OE1-NH1 2.91Å; E249-R255 IonicContact OE1-NH2 3.8Å; E249-R255 PolarHBondContact OE1-NH2 3.39Å; E249-R255 IonicContact OE2-CZ 3.67Å; E249-R255 IonicContact OE2-NH1 2.7Å; E249-R255 IonicContact OE2-NH2 2.67Å; E249-R255 PolarHBondContact OE2-NH2 2.86Å; N252-R255 HydrophobicContact CB-CB 4.06Å; N252-R255 PolarHBondContact O-N 3.46Å; N252-R255 WeakPolarHBondContact OD1-CB 3.43Å; N252-R255 PolarHBondContact OD1-N 3.27Å; R255-Q258 PolarHBondContact O-N 3.16Å; R255-L259 HydrophobicContact CG-CD1 4.16Å; R255-L259 WeakPolarHBondContact O-CB 3.26Å; R255-L259 VanDerWaalsContact O-CG 3.3Å; R255-L259 WeakPolarHBondContact O-CG 3.31Å; R255-L259 PolarHBondContact O-N 3.33Å
256R90.1Very high87.5Confident147 Ų14779.1 Ų79.156%0.55540%0.404SS*.Hα-helixtrans-64.5-41176.5-168.5177.9-175.6-177.74.2112.2N252 D253 L254 R260N252-R256 PolarHBondContact O-N 2.73Å; D253-R256 PolarHBondContact O-N 3.38Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.47Å; R256-R260 WeakPolarHBondContact O-CB 3.35Å; R256-R260 PolarHBondContact O-N 2.85Å
257A91.7Very high87.6Confident46 Ų4676 Ų7638%0.3841%0.408SS..Hα-helixtrans-65.4-44.6174.700000111.8D253 L254 L259 R260 E261D253-A257 WeakPolarHBondContact O-CB 3.27Å; D253-A257 PolarHBondContact O-N 2.91Å; L254-A257 PolarHBondContact O-N 3.01Å; A257-L259 PolarHBondContact O-N 2.92Å; A257-R260 WeakPolarHBondContact O-CB 3.48Å; A257-R260 PolarHBondContact O-N 3.37Å; A257-E261 WeakPolarHBondContact O-CB 3.3Å; A257-E261 PolarHBondContact O-N 2.72Å
258Q93.8Very high87.9Confident16 Ų1677.9 Ų77.98%0.07542%0.423CS..Hα-helixtrans-61.3-41.2175.2-75.9178.9-11.600113L170 T178 L254 R255 E261 L262L170-Q258 PolarHBondContact O-NE2 2.81Å; T178-Q258 PolarHBondContact OG1-NE2 3.03Å; L254-Q258 WeakPolarHBondContact O-CB 3.43Å; L254-Q258 WeakPolarHBondContact O-CG 3.3Å; L254-Q258 PolarHBondContact O-N 3.19Å; R255-Q258 PolarHBondContact O-N 3.16Å; Q258-E261 PolarHBondContact O-N 2.86Å; Q258-L262 VanDerWaalsContact O-CB 3.26Å; Q258-L262 WeakPolarHBondContact O-CB 3.49Å; Q258-L262 PolarHBondContact O-N 3.35Å
259L90.7Very high87.8Confident98 Ų9877 Ų7751%0.51341%0.413SS..Hα-helixtrans-68.8-38177.3-73.4171.3000112R255 A257 A263R255-L259 HydrophobicContact CG-CD1 4.16Å; R255-L259 WeakPolarHBondContact O-CB 3.26Å; R255-L259 VanDerWaalsContact O-CG 3.3Å; R255-L259 WeakPolarHBondContact O-CG 3.31Å; R255-L259 PolarHBondContact O-N 3.33Å; A257-L259 PolarHBondContact O-N 2.92Å; L259-A263 WeakPolarHBondContact O-CB 3.31Å; L259-A263 PolarHBondContact O-N 3.48Å
260R91.3Very high87.9Confident108 Ų10881 Ų8141%0.40842%0.424SS..Hα-helixtrans-59.2-54.4169.7173.7-173.9-75.9120.8-3.7110.9R256 A257 L262 A263 L264 L269 E271R256-R260 WeakPolarHBondContact O-CB 3.35Å; R256-R260 PolarHBondContact O-N 2.85Å; A257-R260 WeakPolarHBondContact O-CB 3.48Å; A257-R260 PolarHBondContact O-N 3.37Å; R260-L262 VanDerWaalsContact C-N 3.3Å; R260-L262 PolarHBondContact O-N 3.06Å; R260-A263 PolarHBondContact O-N 3.23Å; R260-A263 VanDerWaalsContact O-N 3.15Å; R260-L264 PolarHBondContact O-N 3.47Å; R260-L269 HydrophobicContact CG-CD2 3.82Å; R260-E271 IonicContact CZ-OE1 3.61Å; R260-E271 IonicContact NE-OE1 2.66Å; R260-E271 PolarHBondContact NE-OE1 3.35Å; R260-E271 IonicContact NE-OE2 2.73Å; R260-E271 IonicContact NH2-OE1 3.83Å; R260-E271 PolarHBondContact NH2-OE1 2.9Å
261E91.8Very high87.6Confident56 Ų5680.7 Ų80.726%0.26241%0.412SS..Hα-helixtrans-60-40-180-179-171.2172.300111.5P174 N177 A257 Q258 A263 L264 L265P174-E261 HydrophobicContact CB-CG 4.4Å; P174-E261 HydrophobicContact CG-CB 3.94Å; P174-E261 HydrophobicContact CG-CG 3.74Å; P174-E261 VanDerWaalsContact CG-OE2 3.31Å; P174-E261 WeakPolarHBondContact CG-OE2 3.22Å; N177-E261 PolarHBondContact ND2-OE1 3.18Å; A257-E261 WeakPolarHBondContact O-CB 3.3Å; A257-E261 PolarHBondContact O-N 2.72Å; Q258-E261 PolarHBondContact O-N 2.86Å; E261-A263 PolarHBondContact O-N 2.9Å; E261-L264 PolarHBondContact O-N 2.9Å; E261-L265 HydrophobicContact CG-CD1 3.91Å; E261-L265 HydrophobicContact CG-CG 4.38Å; E261-L265 WeakPolarHBondContact O-CB 3.39Å; E261-L265 VanDerWaalsContact O-CG 3.29Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 3.25Å
262L93.2Very high86.5Confident65 Ų6580.7 Ų80.734%0.3441%0.412SS..Hα-helixtrans-60.6-44.5174.7-175.460.1000112.2P174 Q258 R260 N266P174-L262 HydrophobicContact CB-CB 4Å; P174-L262 HydrophobicContact CB-CD1 4.07Å; Q258-L262 VanDerWaalsContact O-CB 3.26Å; Q258-L262 WeakPolarHBondContact O-CB 3.49Å; Q258-L262 PolarHBondContact O-N 3.35Å; R260-L262 VanDerWaalsContact C-N 3.3Å; R260-L262 PolarHBondContact O-N 3.06Å; L262-N266 VanDerWaalsContact O-CB 3.31Å; L262-N266 WeakPolarHBondContact O-CB 3.42Å; L262-N266 PolarHBondContact O-N 3.01Å; L262-N266 PolarHBondContact O-ND2 3.25Å
263A92.1Very high84.9Confident20 Ų2084.7 Ų84.717%0.16543%0.43CS..Hα-helixtrans-68.7-35178.100000112L259 R260 E261 N266 G267 T268 L269L259-A263 WeakPolarHBondContact O-CB 3.31Å; L259-A263 PolarHBondContact O-N 3.48Å; R260-A263 PolarHBondContact O-N 3.23Å; R260-A263 VanDerWaalsContact O-N 3.15Å; E261-A263 PolarHBondContact O-N 2.9Å; A263-N266 PolarHBondContact O-N 3.03Å; A263-G267 PolarHBondContact O-N 3.48Å; A263-G267 VanDerWaalsContact O-N 3.08Å; A263-T268 PolarHBondContact O-N 3.15Å; A263-T268 PolarHBondContact O-OG1 2.9Å; A263-L269 HydrophobicContact CB-CB 3.8Å; A263-L269 HydrophobicContact CB-CD1 4.02Å; A263-L269 HydrophobicContact CB-CG 4.4Å; A263-L269 PolarHBondContact O-N 3.04Å
264L91.1Very high83.4Confident111 Ų11181 Ų8158%0.58142%0.421SS*.Hα-helixtrans-63.6-51.2173.8-166.8156.1000110.5R260 E261 N266 G267 L269R260-L264 PolarHBondContact O-N 3.47Å; E261-L264 PolarHBondContact O-N 2.9Å; L264-N266 PolarHBondContact O-N 3.45Å; L264-G267 PolarHBondContact O-N 3.19Å; L264-L269 HydrophobicContact CB-CD2 3.72Å; L264-L269 HydrophobicContact CD1-CD2 4.26Å; L264-L269 HydrophobicContact CG-CD2 4.29Å
265L90.7Very high82.1Confident86 Ų8684.6 Ų84.645%0.4544%0.44SS..Hα-helixtrans-67-18.7179-69.6172.5000114P174 R175 E261P174-L265 HydrophobicContact CB-CD1 4.25Å; R175-L265 HydrophobicContact CG-CD1 4.06Å; E261-L265 HydrophobicContact CG-CD1 3.91Å; E261-L265 HydrophobicContact CG-CG 4.38Å; E261-L265 WeakPolarHBondContact O-CB 3.39Å; E261-L265 VanDerWaalsContact O-CG 3.29Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 3.25Å
266N92.8Very high80.6Confident79 Ų7986.1 Ų86.142%0.42245%0.45SS..THydrogen-bonded Turntrans-98.70.6173.7-66.7-21.6000112.9R175 L262 A263 L264 T268R175-N266 PolarHBondContact NH2-OD1 3.44Å; L262-N266 VanDerWaalsContact O-CB 3.31Å; L262-N266 WeakPolarHBondContact O-CB 3.42Å; L262-N266 PolarHBondContact O-N 3.01Å; L262-N266 PolarHBondContact O-ND2 3.25Å; A263-N266 PolarHBondContact O-N 3.03Å; L264-N266 PolarHBondContact O-N 3.45Å; N266-T268 HydrophobicContact CB-CG2 4.47Å; N266-T268 PolarHBondContact O-N 2.89Å
267G87.9Confident79.2Confident72 Ų7285.1 Ų85.174%0.74245%0.45SS*.THydrogen-bonded Turntrans68.810.2-179.400000115.5A263 L264A263-G267 PolarHBondContact O-N 3.48Å; A263-G267 VanDerWaalsContact O-N 3.08Å; L264-G267 PolarHBondContact O-N 3.19Å
268T89.8Confident77.8Confident97 Ų9788.6 Ų88.660%0.59546%0.461SS*.  trans-92.8-7.2-176.958.70000113.6A263 N266 R270A263-T268 PolarHBondContact O-N 3.15Å; A263-T268 PolarHBondContact O-OG1 2.9Å; N266-T268 HydrophobicContact CB-CG2 4.47Å; N266-T268 PolarHBondContact O-N 2.89Å; T268-R270 PolarHBondContact O-N 3.06Å
269L76.4Confident76.6Confident54 Ų5495.6 Ų95.628%0.28349%0.487SS..  trans-78.5100.6-174.4-173.362.4000113R260 A263 L264 E271R260-L269 HydrophobicContact CG-CD2 3.82Å; A263-L269 HydrophobicContact CB-CB 3.8Å; A263-L269 HydrophobicContact CB-CD1 4.02Å; A263-L269 HydrophobicContact CB-CG 4.4Å; A263-L269 PolarHBondContact O-N 3.04Å; L264-L269 HydrophobicContact CB-CD2 3.72Å; L264-L269 HydrophobicContact CD1-CD2 4.26Å; L264-L269 HydrophobicContact CG-CD2 4.29Å; L269-E271 HydrophobicContact CD1-CG 3.73Å; L269-E271 HydrophobicContact CD2-CB 4.48Å; L269-E271 HydrophobicContact CD2-CG 4.14Å; L269-E271 WeakPolarHBondContact CD2-OE2 3.43Å; L269-E271 HydrophobicContact CG-CB 4.08Å; L269-E271 HydrophobicContact CG-CG 3.77Å; L269-E271 PolarHBondContact O-N 3.3Å
270R77.1Confident75.4Confident183 Ų18393.6 Ų93.669%0.69148%0.484SS*.THydrogen-bonded Turntrans-7630.8177.9-65.2172.1176.6-98.63.3114.6T268 H272 E273 G274T268-R270 PolarHBondContact O-N 3.06Å; R270-H272 VanDerWaalsContact C-N 3.31Å; R270-H272 PolarHBondContact O-N 3.35Å; R270-E273 HydrophobicContact CB-CB 4.07Å; R270-E273 VanDerWaalsContact CD-OE2 3.27Å; R270-E273 WeakPolarHBondContact CD-OE2 3.48Å; R270-E273 WeakPolarHBondContact CG-OE2 3.27Å; R270-E273 IonicContact CZ-OE2 2.71Å; R270-E273 IonicContact NE-OE2 3.72Å; R270-E273 IonicContact NH1-OE1 2.87Å; R270-E273 IonicContact NH1-OE2 3.87Å; R270-E273 PolarHBondContact NH1-OE2 2.94Å; R270-E273 WeakPolarHBondContact O-CB 3.29Å; R270-E273 PolarHBondContact O-N 2.95Å; R270-G274 PolarHBondContact O-N 3.22Å
271E65.4Low74Confident94 Ų9493.8 Ų93.844%0.43949%0.491SS..Hα-helixtrans-63-35.4-177.4-87.5-176.6162.700112.9R260 L269 E273 G274 L275R260-E271 IonicContact CZ-OE1 3.61Å; R260-E271 IonicContact NE-OE1 2.66Å; R260-E271 PolarHBondContact NE-OE1 3.35Å; R260-E271 IonicContact NE-OE2 2.73Å; R260-E271 IonicContact NH2-OE1 3.83Å; R260-E271 PolarHBondContact NH2-OE1 2.9Å; L269-E271 HydrophobicContact CD1-CG 3.73Å; L269-E271 HydrophobicContact CD2-CB 4.48Å; L269-E271 HydrophobicContact CD2-CG 4.14Å; L269-E271 WeakPolarHBondContact CD2-OE2 3.43Å; L269-E271 HydrophobicContact CG-CB 4.08Å; L269-E271 HydrophobicContact CG-CG 3.77Å; L269-E271 PolarHBondContact O-N 3.3Å; E271-E273 VanDerWaalsContact C-N 3.28Å; E271-E273 PolarHBondContact O-N 3.39Å; E271-G274 PolarHBondContact O-N 2.99Å; E271-L275 PolarHBondContact O-N 2.99Å
272H55.7Low72.7Confident133 Ų13394 Ų9462%0.61650%0.502SS*.Hα-helixtrans-66.7-28.9173.7-167.1-109.7000112.7R270 M276R270-H272 VanDerWaalsContact C-N 3.31Å; R270-H272 PolarHBondContact O-N 3.35Å; H272-M276 VanDerWaalsContact CE1-CE 3.43Å; H272-M276 WeakPolarHBondContact CE1-CE 3.41Å; H272-M276 VanDerWaalsContact CE1-CG 3.43Å; H272-M276 WeakPolarHBondContact CE1-CG 3.23Å; H272-M276 WeakPolarHBondContact NE2-CE 3.25Å; H272-M276 VanDerWaalsContact O-CB 3.25Å; H272-M276 WeakPolarHBondContact O-CB 3.35Å; H272-M276 WeakPolarHBondContact O-CG 3.35Å; H272-M276 PolarHBondContact O-N 3.44Å
273E54.2Low71.4Confident89 Ų8996.4 Ų96.442%0.41651%0.512SS..Hα-helixtrans-70.1-38.9179.1-162-179.5162.200111.2R270 E271 K277R270-E273 HydrophobicContact CB-CB 4.07Å; R270-E273 VanDerWaalsContact CD-OE2 3.27Å; R270-E273 WeakPolarHBondContact CD-OE2 3.48Å; R270-E273 WeakPolarHBondContact CG-OE2 3.27Å; R270-E273 IonicContact CZ-OE2 2.71Å; R270-E273 IonicContact NE-OE2 3.72Å; R270-E273 IonicContact NH1-OE1 2.87Å; R270-E273 IonicContact NH1-OE2 3.87Å; R270-E273 PolarHBondContact NH1-OE2 2.94Å; R270-E273 WeakPolarHBondContact O-CB 3.29Å; R270-E273 PolarHBondContact O-N 2.95Å; E271-E273 VanDerWaalsContact C-N 3.28Å; E271-E273 PolarHBondContact O-N 3.39Å; E273-K277 WeakPolarHBondContact O-CB 3.43Å; E273-K277 PolarHBondContact O-N 3.25Å
274G58.2Low69.9Low42 Ų4297.7 Ų97.743%0.43352%0.522SS..Hα-helixtrans-62.4-46174.600000112.7R270 E271 K277 L278R270-G274 PolarHBondContact O-N 3.22Å; E271-G274 PolarHBondContact O-N 2.99Å; G274-K277 PolarHBondContact O-N 3.26Å; G274-L278 PolarHBondContact O-N 3.42Å
275L60.6Low68.3Low124 Ų12499.8 Ų99.865%0.64953%0.529SS*.Hα-helixtrans-72-38.5179.5-164.769000112.2E271 K277 L278 R279E271-L275 PolarHBondContact O-N 2.99Å; L275-K277 VanDerWaalsContact C-N 3.34Å; L275-L278 PolarHBondContact O-N 3.34Å; L275-R279 WeakPolarHBondContact O-CB 3.12Å; L275-R279 PolarHBondContact O-N 3.08Å
276M59.1Low67Low88 Ų8899.4 Ų99.443%0.43353%0.534SS..Hα-helixtrans-67.5-32.7173-80-64.5177.600112.6H272 R279 A280H272-M276 VanDerWaalsContact CE1-CE 3.43Å; H272-M276 WeakPolarHBondContact CE1-CE 3.41Å; H272-M276 VanDerWaalsContact CE1-CG 3.43Å; H272-M276 WeakPolarHBondContact CE1-CG 3.23Å; H272-M276 WeakPolarHBondContact NE2-CE 3.25Å; H272-M276 VanDerWaalsContact O-CB 3.25Å; H272-M276 WeakPolarHBondContact O-CB 3.35Å; H272-M276 WeakPolarHBondContact O-CG 3.35Å; H272-M276 PolarHBondContact O-N 3.44Å; M276-R279 PolarHBondContact O-N 3.36Å; M276-A280 WeakPolarHBondContact O-CB 3.16Å; M276-A280 PolarHBondContact O-N 3.41Å
277K59.5Low65.5Low127 Ų127100.2 Ų100.255%0.55254%0.537SS*.Hα-helixtrans-73.4-36.5176.3-161.3164.6-168.3165.80111.9E273 G274 L275 M281E273-K277 WeakPolarHBondContact O-CB 3.43Å; E273-K277 PolarHBondContact O-N 3.25Å; G274-K277 PolarHBondContact O-N 3.26Å; L275-K277 VanDerWaalsContact C-N 3.34Å; K277-M281 VanDerWaalsContact O-CB 3.31Å; K277-M281 WeakPolarHBondContact O-CB 3.43Å; K277-M281 VanDerWaalsContact O-CG 3.23Å; K277-M281 WeakPolarHBondContact O-CG 3.3Å; K277-M281 PolarHBondContact O-N 3.03Å
278L63.3Low64.2Low118 Ų11899.6 Ų99.662%0.61853%0.525SS*.Hα-helixtrans-64-44.5167.7-82167.1000112.1G274 L275 M281 A282G274-L278 PolarHBondContact O-N 3.42Å; L275-L278 PolarHBondContact O-N 3.34Å; L278-M281 PolarHBondContact O-N 3.01Å; L278-A282 PolarHBondContact O-N 3.48Å
279R66.7Low63.1Low164 Ų16497.6 Ų97.662%0.61951%0.513SS*.Hα-helixtrans-61-50.2175.6-172.4175.8-174.9133.96111.1L275 M276 M281 A282 E283L275-R279 WeakPolarHBondContact O-CB 3.12Å; L275-R279 PolarHBondContact O-N 3.08Å; M276-R279 PolarHBondContact O-N 3.36Å; R279-M281 VanDerWaalsContact C-N 3.29Å; R279-M281 PolarHBondContact O-N 2.88Å; R279-A282 PolarHBondContact O-N 3.32Å; R279-E283 WeakPolarHBondContact O-CB 3.31Å; R279-E283 PolarHBondContact O-N 2.95Å
280A65.6Low62.6Low55 Ų55100.4 Ų100.446%0.45553%0.528SS..Hα-helixtrans-63.4-31.1177.300000112.9M276 A284M276-A280 WeakPolarHBondContact O-CB 3.16Å; M276-A280 PolarHBondContact O-N 3.41Å; A280-A284 WeakPolarHBondContact O-CB 3.43Å; A280-A284 PolarHBondContact O-N 3.42Å
281M62.3Low62.4Low113 Ų11399.9 Ų99.956%0.55753%0.531SS*.Hα-helixtrans-70.7-42.7172-79.8176.9168.400112.3K277 L278 R279 A284 Q285K277-M281 VanDerWaalsContact O-CB 3.31Å; K277-M281 WeakPolarHBondContact O-CB 3.43Å; K277-M281 VanDerWaalsContact O-CG 3.23Å; K277-M281 WeakPolarHBondContact O-CG 3.3Å; K277-M281 PolarHBondContact O-N 3.03Å; L278-M281 PolarHBondContact O-N 3.01Å; R279-M281 VanDerWaalsContact C-N 3.29Å; R279-M281 PolarHBondContact O-N 2.88Å; M281-A284 PolarHBondContact O-N 2.87Å; M281-Q285 WeakPolarHBondContact O-CB 3.07Å; M281-Q285 VanDerWaalsContact O-CG 3.3Å; M281-Q285 WeakPolarHBondContact O-CG 3.18Å; M281-Q285 PolarHBondContact O-N 2.85Å
282A65.7Low63Low59 Ų5998.2 Ų98.249%0.48852%0.524SS..Hα-helixtrans-65.9-39.1174.300000111.9L278 R279 Q285 S286L278-A282 PolarHBondContact O-N 3.48Å; R279-A282 PolarHBondContact O-N 3.32Å; A282-Q285 PolarHBondContact O-N 2.89Å; A282-S286 PolarHBondContact O-N 3.44Å
283E64.9Low64.2Low116 Ų11699.6 Ų99.654%0.54253%0.531SS..Hα-helixtrans-68.4-41.3176.7-163.6155.6-164.600110.6R279 Q285 S286 I287R279-E283 WeakPolarHBondContact O-CB 3.31Å; R279-E283 PolarHBondContact O-N 2.95Å; E283-Q285 PolarHBondContact O-N 2.78Å; E283-S286 CarbonylContact O-C 3.56Å; E283-S286 WeakPolarHBondContact O-CA 3.37Å; E283-S286 WeakPolarHBondContact O-CB 3.4Å; E283-S286 PolarHBondContact O-N 2.88Å; E283-S286 PolarHBondContact O-OG 3.49Å; E283-I287 PolarHBondContact O-N 3.35Å; E283-I287 VanDerWaalsContact O-N 3.12Å
284A60.3Low65.7Low47 Ų4795.5 Ų95.539%0.38851%0.512SS..Hα-helixtrans-64.9-35.917100000113.5A280 M281 S286 I287A280-A284 WeakPolarHBondContact O-CB 3.43Å; A280-A284 PolarHBondContact O-N 3.42Å; M281-A284 PolarHBondContact O-N 2.87Å; A284-S286 PolarHBondContact O-N 3.4Å; A284-I287 HydrophobicContact CB-CD1 4.36Å; A284-I287 WeakPolarHBondContact O-CB 3.42Å; A284-I287 PolarHBondContact O-N 2.71Å
285Q58.9Low66.9Low155 Ų15596.9 Ų96.972%0.72453%0.526SS*.Hα-helixtrans-68-23.4169.8-75.8176.4-900112.6M281 A282 E283M281-Q285 WeakPolarHBondContact O-CB 3.07Å; M281-Q285 VanDerWaalsContact O-CG 3.3Å; M281-Q285 WeakPolarHBondContact O-CG 3.18Å; M281-Q285 PolarHBondContact O-N 2.85Å; A282-Q285 PolarHBondContact O-N 2.89Å; E283-Q285 PolarHBondContact O-N 2.78Å
286S63.3Low68Low79 Ų7994.7 Ų94.755%0.55252%0.515SS*.Hα-helixtrans-82.3-16.3173.685.10000114A282 E283 A284 A288A282-S286 PolarHBondContact O-N 3.44Å; E283-S286 CarbonylContact O-C 3.56Å; E283-S286 WeakPolarHBondContact O-CA 3.37Å; E283-S286 WeakPolarHBondContact O-CB 3.4Å; E283-S286 PolarHBondContact O-N 2.88Å; E283-S286 PolarHBondContact O-OG 3.49Å; A284-S286 PolarHBondContact O-N 3.4Å; S286-A288 PolarHBondContact O-N 2.79Å
287I60.3Low69.2Low96 Ų9693.7 Ų93.749%0.49252%0.515SS..  trans-58.2114.8177.8-64.7173.8000109.2E283 A284 T289 N290E283-I287 PolarHBondContact O-N 3.35Å; E283-I287 VanDerWaalsContact O-N 3.12Å; A284-I287 HydrophobicContact CB-CD1 4.36Å; A284-I287 WeakPolarHBondContact O-CB 3.42Å; A284-I287 PolarHBondContact O-N 2.71Å; I287-T289 HydrophobicContact CG2-CG2 3.89Å; I287-T289 PolarHBondContact O-N 3.19Å; I287-N290 PolarHBondContact O-N 3.46Å
288A62.1Low70.3Confident59 Ų5990.6 Ų90.649%0.48852%0.519SS..G310 helixtrans-61.2-14.3-169.900000114.7S286 N290 K291 I292S286-A288 PolarHBondContact O-N 2.79Å; A288-N290 PolarHBondContact O-N 2.95Å; A288-K291 WeakPolarHBondContact O-CA 3.45Å; A288-K291 WeakPolarHBondContact O-CB 3.43Å; A288-K291 PolarHBondContact O-N 3.01Å; A288-I292 PolarHBondContact O-N 3.29Å
289T65.9Low71Confident55 Ų5586.3 Ų86.334%0.33750%0.504SS..G310 helixtrans-55.7-36.6179.4-152.70000113I287 K291 I292 G301I287-T289 HydrophobicContact CG2-CG2 3.89Å; I287-T289 PolarHBondContact O-N 3.19Å; T289-K291 PolarHBondContact O-N 3.36Å; T289-K291 VanDerWaalsContact O-N 3.15Å; T289-I292 PolarHBondContact O-N 2.8Å; T289-G301 VanDerWaalsContact O-CA 3.3Å; T289-G301 WeakPolarHBondContact O-CA 3.48Å; T289-G301 PolarHBondContact O-N 3.23Å; T289-G301 WeakPolarHBondContact OG1-CA 3.34Å; T289-G301 PolarHBondContact OG1-O 2.64Å; T289-G301 VanDerWaalsContact OG1-O 3.08Å
290N66.7Low71.6Confident112 Ų11281.5 Ų81.560%0.59950%0.499SS*.G310 helixtrans-68.8-10.6176.2-73-44.3000114I287 A288I287-N290 PolarHBondContact O-N 3.46Å; A288-N290 PolarHBondContact O-N 2.95Å
291K72.2Confident72.2Confident173 Ų17380.3 Ų80.375%0.75249%0.493SS*.G310 helixtrans-101.2-9.4173.8-60.3-178.9-179.31770112.8A288 T289A288-K291 WeakPolarHBondContact O-CA 3.45Å; A288-K291 WeakPolarHBondContact O-CB 3.43Å; A288-K291 PolarHBondContact O-N 3.01Å; T289-K291 PolarHBondContact O-N 3.36Å; T289-K291 VanDerWaalsContact O-N 3.15Å
292I76.5Confident73.1Confident59 Ų5977.3 Ų77.330%0.30348%0.477SS..  trans-87.4114.4177.4-62.4170.5000108A288 T289 A300 G301 H302 L303A288-I292 PolarHBondContact O-N 3.29Å; T289-I292 PolarHBondContact O-N 2.8Å; I292-A300 CarbonylContact O-C 3.5Å; I292-A300 VanDerWaalsContact O-CA 3.3Å; I292-A300 WeakPolarHBondContact O-CA 3.39Å; I292-G301 PolarHBondContact O-N 3.22Å; I292-H302 WeakPolarHBondContact CG2-O 3.46Å; I292-L303 HydrophobicContact CD1-CD1 4.02Å; I292-L303 HydrophobicContact CG2-CD1 4.08Å; I292-L303 HydrophobicContact CG2-CG 4.11Å
293Q83Confident74Confident161 Ų16179 Ų7975%0.75248%0.477SS*.BIsolated β-bridgetrans-100.7131.9174.3-64.3177.9-4.800109.5
294C85.3Confident74.7Confident4 Ų475.8 Ų75.83%0.02747%0.468CS..  trans-78.6122.5178.1176.80000111.4I296 C297 G298 G299 H302 C307C294-I296 PolarHBondContact O-N 3.45Å; C294-I296 VanDerWaalsContact O-N 3.11Å; C294-C297 VanDerWaalsContact SG-SG 3.61Å; C294-G298 WeakPolarHBondContact O-CA 3.36Å; C294-G298 PolarHBondContact O-N 2.87Å; C294-G299 WeakPolarHBondContact CB-O 3.3Å; C294-G299 PolarHBondContact N-O 2.95Å; C294-H302 VanDerWaalsContact CB-NE2 3.34Å; C294-H302 WeakPolarHBondContact CB-NE2 3.41Å; C294-H302 PolarHBondContact SG-NE2 3.08Å; C294-C307 PolarHBondContact SG-SG 3.38Å
295G83.7Confident75.6Confident70 Ų7079.1 Ų79.172%0.72248%0.484SS*.THydrogen-bonded Turntrans-71.1-1.5-178.600000115.7S304G295-S304 PolarHBondContact N-OG 3.42Å; G295-S304 VanDerWaalsContact N-OG 3.12Å
296I82.7Confident76.4Confident79 Ų7976.8 Ų76.841%0.40548%0.476SS..THydrogen-bonded Turntrans-106.3-38.1-179.1-64.4156000111.7C294 S304 C307 A309 L310C294-I296 PolarHBondContact O-N 3.45Å; C294-I296 VanDerWaalsContact O-N 3.11Å; I296-S304 WeakPolarHBondContact CD1-O 3.3Å; I296-C307 HydrophobicContact CB-CB 4.34Å; I296-C307 HydrophobicContact CD1-CB 3.86Å; I296-A309 HydrophobicContact CG2-CB 4.49Å; I296-L310 HydrophobicContact CD1-CB 4.32Å; I296-L310 HydrophobicContact CD1-CD1 4.15Å; I296-L310 HydrophobicContact CD1-CD2 4.38Å; I296-L310 HydrophobicContact CG2-CD1 4.48Å
297C84.1Confident77.2Confident66 Ų6673.1 Ų73.145%0.44645%0.45SS..THydrogen-bonded Turntrans-122.3-3.7-174.871.20000114.6C294 G299 H302 A309C294-C297 VanDerWaalsContact SG-SG 3.61Å; C297-G299 PolarHBondContact O-N 3.04Å; C297-G299 VanDerWaalsContact O-N 3.09Å; C297-G299 PolarHBondContact SG-N 3.1Å; C297-H302 PolarHBondContact SG-CE1 2.94Å; C297-H302 PolarHBondContact SG-NE2 3.12Å; C297-H302 VanDerWaalsContact SG-NE2 3.45Å; C297-A309 HydrophobicContact CB-CB 4.17Å
298G82Confident77.8Confident62 Ų6274.9 Ų74.964%0.63946%0.455SS*.  trans70.9-5.8-177.300000115.3C294C294-G298 WeakPolarHBondContact O-CA 3.36Å; C294-G298 PolarHBondContact O-N 2.87Å
299G78.2Confident78.1Confident28 Ų2875.7 Ų75.729%0.28946%0.461SS..  trans-68.9142178.300000112.6C294 C297C294-G299 WeakPolarHBondContact CB-O 3.3Å; C294-G299 PolarHBondContact N-O 2.95Å; C297-G299 PolarHBondContact O-N 3.04Å; C297-G299 VanDerWaalsContact O-N 3.09Å; C297-G299 PolarHBondContact SG-N 3.1Å
300A79.5Confident77.8Confident63 Ų6379 Ų7952%0.52148%0.476SS..BIsolated β-bridgetrans-76.2163.7170.100000111.7I292I292-A300 CarbonylContact O-C 3.5Å; I292-A300 VanDerWaalsContact O-CA 3.3Å; I292-A300 WeakPolarHBondContact O-CA 3.39Å
301G79.1Confident77.3Confident31 Ų3177 Ų7732%0.3247%0.465SS..SBendtrans91.95.6167.200000116.8T289 I292T289-G301 VanDerWaalsContact O-CA 3.3Å; T289-G301 WeakPolarHBondContact O-CA 3.48Å; T289-G301 PolarHBondContact O-N 3.23Å; T289-G301 WeakPolarHBondContact OG1-CA 3.34Å; T289-G301 PolarHBondContact OG1-O 2.64Å; T289-G301 VanDerWaalsContact OG1-O 3.08Å; I292-G301 PolarHBondContact O-N 3.22Å
302H81.7Confident76.1Confident50 Ų5071.4 Ų71.423%0.23146%0.456CS..SBendtrans-157.3152.2176.465.8-71.1000112.3I292 C294 C297 D306I292-H302 WeakPolarHBondContact CG2-O 3.46Å; C294-H302 VanDerWaalsContact CB-NE2 3.34Å; C294-H302 WeakPolarHBondContact CB-NE2 3.41Å; C294-H302 PolarHBondContact SG-NE2 3.08Å; C297-H302 PolarHBondContact SG-CE1 2.94Å; C297-H302 PolarHBondContact SG-NE2 3.12Å; C297-H302 VanDerWaalsContact SG-NE2 3.45Å; H302-D306 HydrophobicContact CB-CB 4.45Å
303L83.3Confident75Confident93 Ų9371.7 Ų71.749%0.48747%0.474SS..  trans-77.7162172.9-74.281.5000110.7I292 T305 D306I292-L303 HydrophobicContact CD1-CD1 4.02Å; I292-L303 HydrophobicContact CG2-CD1 4.08Å; I292-L303 HydrophobicContact CG2-CG 4.11Å; L303-T305 WeakPolarHBondContact CB-OG1 3.36Å; L303-T305 PolarHBondContact O-N 3.07Å; L303-D306 PolarHBondContact O-N 3.15Å
304S80.7Confident73.7Confident50 Ų5072.1 Ų72.135%0.3548%0.476SS..G310 helixtrans-58-28176.3-54.30000113.7G295 I296 D306 C307G295-S304 PolarHBondContact N-OG 3.42Å; G295-S304 VanDerWaalsContact N-OG 3.12Å; I296-S304 WeakPolarHBondContact CD1-O 3.3Å; S304-D306 VanDerWaalsContact C-N 3.29Å; S304-D306 PolarHBondContact O-N 3.35Å; S304-C307 WeakPolarHBondContact O-CB 3.36Å
305T79.6Confident72.2Confident117 Ų11774.3 Ų74.372%0.71849%0.494SS*.G310 helixtrans-61.1-3617333.80000113.2L303 C307L303-T305 WeakPolarHBondContact CB-OG1 3.36Å; L303-T305 PolarHBondContact O-N 3.07Å; T305-C307 VanDerWaalsContact C-N 3.33Å
306D74.8Confident70.8Confident105 Ų10575.7 Ų75.756%0.56148%0.478SS*.G310 helixtrans-10014.5-171.1-49.8-82.5000111.4H302 L303 S304 K308H302-D306 HydrophobicContact CB-CB 4.45Å; L303-D306 PolarHBondContact O-N 3.15Å; S304-D306 VanDerWaalsContact C-N 3.29Å; S304-D306 PolarHBondContact O-N 3.35Å; D306-K308 PolarHBondContact O-N 3.46Å; D306-K308 VanDerWaalsContact O-N 3.17Å
307C79.9Confident69.5Low3 Ų377.9 Ų77.92%0.0249%0.49CS..  trans-73.6108.8-174.1-170.80000111.9C294 I296 S304 T305 A309 L310 L311C294-C307 PolarHBondContact SG-SG 3.38Å; I296-C307 HydrophobicContact CB-CB 4.34Å; I296-C307 HydrophobicContact CD1-CB 3.86Å; S304-C307 WeakPolarHBondContact O-CB 3.36Å; T305-C307 VanDerWaalsContact C-N 3.33Å; C307-A309 PolarHBondContact O-N 3.33Å; C307-A309 PolarHBondContact SG-N 3.13Å; C307-L310 HydrophobicContact CB-CB 4.45Å; C307-L310 WeakPolarHBondContact O-CB 3.44Å; C307-L310 PolarHBondContact O-N 3.18Å; C307-L311 PolarHBondContact O-N 3.43Å
308K72.5Confident68.3Low133 Ų13380.5 Ų80.558%0.57850%0.5SS*.THydrogen-bonded Turntrans-56.6-15.2172.5-70.2174.5172.9-70.50114.5D306 Y316D306-K308 PolarHBondContact O-N 3.46Å; D306-K308 VanDerWaalsContact O-N 3.17Å; K308-Y316 PolarHBondContact NZ-OH 3.12Å; K308-Y316 VanDerWaalsContact NZ-OH 3.09Å
309A69Low67.2Low75 Ų7584.3 Ų84.362%0.6250%0.501SS*.THydrogen-bonded Turntrans-82.1-22.3172.900000113.6I296 C297 C307I296-A309 HydrophobicContact CG2-CB 4.49Å; C297-A309 HydrophobicContact CB-CB 4.17Å; C307-A309 PolarHBondContact O-N 3.33Å; C307-A309 PolarHBondContact SG-N 3.13Å
310L59.3Low66Low125 Ų12587.1 Ų87.165%0.65451%0.509SS*.THydrogen-bonded Turntrans-83.9-32.3172.1-15882.1000111.3I296 C307 G312I296-L310 HydrophobicContact CD1-CB 4.32Å; I296-L310 HydrophobicContact CD1-CD1 4.15Å; I296-L310 HydrophobicContact CD1-CD2 4.38Å; I296-L310 HydrophobicContact CG2-CD1 4.48Å; C307-L310 HydrophobicContact CB-CB 4.45Å; C307-L310 WeakPolarHBondContact O-CB 3.44Å; C307-L310 PolarHBondContact O-N 3.18Å; L310-G312 PolarHBondContact O-N 2.99Å
311L55.3Low65Low70 Ų7089.6 Ų89.637%0.36651%0.513SS..SBendtrans-87.585-176.1-161.971.1000111.5C307 G313 A315C307-L311 PolarHBondContact O-N 3.43Å; L311-G313 PolarHBondContact O-N 3.09Å; L311-A315 HydrophobicContact CD1-CB 3.71Å; L311-A315 HydrophobicContact CG-CB 4Å
312G47.2Very low64.3Low55 Ų5591.5 Ų91.557%0.56753%0.526SS*.  trans-48.7134.9175.900000112.7L310 Q314 A315L310-G312 PolarHBondContact O-N 2.99Å; G312-Q314 PolarHBondContact O-N 3.45Å; G312-A315 PolarHBondContact O-N 3.5Å
313G53.8Low63.2Low66 Ų6693.1 Ų93.168%0.6854%0.536SS*.Hα-helixtrans-58.8-11.6-152.800000118.8L311L311-G313 PolarHBondContact O-N 3.09Å
314Q56.4Low62.3Low170 Ų17092.8 Ų92.879%0.79454%0.54SS*.Hα-helixtrans-74.7-38.5173.6-72.4164.3-95.600112.3G312 Y316 L317 D318G312-Q314 PolarHBondContact O-N 3.45Å; Q314-Y316 VanDerWaalsContact C-N 3.3Å; Q314-Y316 PolarHBondContact O-N 2.89Å; Q314-L317 WeakPolarHBondContact O-CB 3.34Å; Q314-L317 PolarHBondContact O-N 3.11Å; Q314-D318 PolarHBondContact O-N 3.43Å
315A54.5Low61.8Low49 Ų4994.1 Ų94.141%0.40555%0.549SS..Hα-helixtrans-69-28.3-178.400000113L311 G312 L317 Q319L311-A315 HydrophobicContact CD1-CB 3.71Å; L311-A315 HydrophobicContact CG-CB 4Å; G312-A315 PolarHBondContact O-N 3.5Å; A315-L317 VanDerWaalsContact C-N 3.31Å; A315-Q319 PolarHBondContact O-N 3.47Å
316Y53.4Low61.2Low99 Ų9993.4 Ų93.439%0.38854%0.538SS..Hα-helixtrans-70.2-27.7172.5-174.1-127.3000112.5K308 Q314 L320K308-Y316 PolarHBondContact NZ-OH 3.12Å; K308-Y316 VanDerWaalsContact NZ-OH 3.09Å; Q314-Y316 VanDerWaalsContact C-N 3.3Å; Q314-Y316 PolarHBondContact O-N 2.89Å; Y316-L320 HydrophobicContact CD1-CD1 3.97Å; Y316-L320 HydrophobicContact CD2-CD1 4.44Å; Y316-L320 HydrophobicContact CD2-CG 4.41Å; Y316-L320 HydrophobicContact CE1-CD1 3.59Å; Y316-L320 HydrophobicContact CE1-CG 4.44Å; Y316-L320 HydrophobicContact CE2-CD1 4.07Å; Y316-L320 HydrophobicContact CE2-CD2 4.37Å; Y316-L320 HydrophobicContact CE2-CG 4.03Å; Y316-L320 HydrophobicContact CG-CD1 4.38Å; Y316-L320 WeakPolarHBondContact O-CB 3.5Å; Y316-L320 VanDerWaalsContact O-CG 3.31Å; Y316-L320 WeakPolarHBondContact O-CG 3.49Å; Y316-L320 PolarHBondContact O-N 2.92Å
317L56Low60.9Low126 Ų12695.1 Ų95.166%0.6654%0.536SS*.Hα-helixtrans-71.6-45.5178.7-161.278.7000111.4Q314 A315 L320 N321Q314-L317 WeakPolarHBondContact O-CB 3.34Å; Q314-L317 PolarHBondContact O-N 3.11Å; A315-L317 VanDerWaalsContact C-N 3.31Å; L317-L320 PolarHBondContact O-N 3.04Å; L317-N321 PolarHBondContact O-N 2.9Å
318D59Low60.6Low121 Ų12198 Ų9865%0.64756%0.56SS**Hα-helixtrans-64.7-41.2177.2-81.1-28.8000112Q314 L320 N321Q314-D318 PolarHBondContact O-N 3.43Å; D318-L320 VanDerWaalsContact C-N 3.29Å; D318-L320 PolarHBondContact O-N 3.21Å; D318-N321 WeakPolarHBondContact O-CB 3.42Å; D318-N321 PolarHBondContact O-N 3.48Å
319Q57.7Low61Low142 Ų14298 Ų9866%0.66456%0.56SS**Hα-helixtrans-65.6-32.5178.3-163.1176.727.800112.5A315 N321A315-Q319 PolarHBondContact O-N 3.47Å; Q319-N321 PolarHBondContact O-N 2.93Å
320L54.4Low61.3Low86 Ų8699.8 Ų99.845%0.4556%0.557SS.*THydrogen-bonded Turntrans-72.4-13.1171.9-78.4173000113.9Y316 L317 D318Y316-L320 HydrophobicContact CD1-CD1 3.97Å; Y316-L320 HydrophobicContact CD2-CD1 4.44Å; Y316-L320 HydrophobicContact CD2-CG 4.41Å; Y316-L320 HydrophobicContact CE1-CD1 3.59Å; Y316-L320 HydrophobicContact CE1-CG 4.44Å; Y316-L320 HydrophobicContact CE2-CD1 4.07Å; Y316-L320 HydrophobicContact CE2-CD2 4.37Å; Y316-L320 HydrophobicContact CE2-CG 4.03Å; Y316-L320 HydrophobicContact CG-CD1 4.38Å; Y316-L320 WeakPolarHBondContact O-CB 3.5Å; Y316-L320 VanDerWaalsContact O-CG 3.31Å; Y316-L320 WeakPolarHBondContact O-CG 3.49Å; Y316-L320 PolarHBondContact O-N 2.92Å; L317-L320 PolarHBondContact O-N 3.04Å; D318-L320 VanDerWaalsContact C-N 3.29Å; D318-L320 PolarHBondContact O-N 3.21Å
321N58.3Low62.3Low116 Ų11697.4 Ų97.462%0.6255%0.545SS*.THydrogen-bonded Turntrans-99.8-2-175.3-154.429000113.3L317 D318 Q319L317-N321 PolarHBondContact O-N 2.9Å; D318-N321 WeakPolarHBondContact O-CB 3.42Å; D318-N321 PolarHBondContact O-N 3.48Å; Q319-N321 PolarHBondContact O-N 2.93Å
322A62.7Low63.7Low70 Ų7097.4 Ų97.458%0.57955%0.55SS**SBendtrans-66.1-40-173.300000114.3P324A322-P324 VanDerWaalsContact C-CD 3.5Å; A322-P324 VanDerWaalsContact O-CD 3.3Å; A322-P324 WeakPolarHBondContact O-CD 3.24Å
323N59Low65.4Low84 Ų84100.9 Ų100.945%0.44955%0.552SS.*  trans-120.971.4-175.2-71.3-9.2000112.3S325 E326 R327N323-S325 PolarHBondContact O-N 3.43Å; N323-E326 HydrophobicContact CB-CB 4.06Å; N323-E326 HydrophobicContact CB-CG 4.05Å; N323-E326 WeakPolarHBondContact CB-OE2 3.45Å; N323-E326 PolarHBondContact ND2-OE2 2.95Å; N323-E326 PolarHBondContact O-N 3.3Å; N323-E326 VanDerWaalsContact O-N 3.15Å; N323-R327 PolarHBondContact O-N 3.41Å
324P65.8Low66.8Low86 Ų86104.6 Ų104.656%0.55855%0.546SS*.Hα-helixtrans-61.7-26.3179.325.6-34.6000113A322 A328A322-P324 VanDerWaalsContact C-CD 3.5Å; A322-P324 VanDerWaalsContact O-CD 3.3Å; A322-P324 WeakPolarHBondContact O-CD 3.24Å; P324-A328 WeakPolarHBondContact O-CB 3.14Å; P324-A328 PolarHBondContact O-N 3.17Å
325S69.7Low68.2Low78 Ų78100.8 Ų100.855%0.54554%0.535SS..Hα-helixtrans-71.2-32.9176.350.50000114N323 K329N323-S325 PolarHBondContact O-N 3.43Å; S325-K329 WeakPolarHBondContact O-CG 3.34Å; S325-K329 PolarHBondContact O-N 3.49Å
326E66.5Low69.7Low103 Ų103101.3 Ų101.348%0.48154%0.539SS..Hα-helixtrans-79.4-39.2175.9-65.3-176.815300110.8N323 A328 K329 M330N323-E326 HydrophobicContact CB-CB 4.06Å; N323-E326 HydrophobicContact CB-CG 4.05Å; N323-E326 WeakPolarHBondContact CB-OE2 3.45Å; N323-E326 PolarHBondContact ND2-OE2 2.95Å; N323-E326 PolarHBondContact O-N 3.3Å; N323-E326 VanDerWaalsContact O-N 3.15Å; E326-A328 PolarHBondContact O-N 3.32Å; E326-K329 WeakPolarHBondContact O-CB 3.39Å; E326-K329 PolarHBondContact O-N 3.46Å; E326-M330 HydrophobicContact CB-CE 4.47Å; E326-M330 PolarHBondContact O-N 3.19Å
327R68.7Low71Confident141 Ų141100.6 Ų100.653%0.53254%0.541SS..Hα-helixtrans-58.2-46.9172.1-177.3171.7-176.3151.76.2111.8N323 K329 M330 D331N323-R327 PolarHBondContact O-N 3.41Å; R327-K329 PolarHBondContact O-N 2.88Å; R327-M330 PolarHBondContact O-N 3.01Å; R327-D331 WeakPolarHBondContact CG-OD2 3.33Å; R327-D331 IonicContact NE-OD2 3.29Å; R327-D331 PolarHBondContact NE-OD2 3.35Å; R327-D331 WeakPolarHBondContact O-CB 3.48Å; R327-D331 PolarHBondContact O-N 2.66Å
328A74Confident72.2Confident62 Ų6297 Ų9751%0.51252%0.522SS..Hα-helixtrans-59.8-33.7177.200000113.1P324 E326 S332P324-A328 WeakPolarHBondContact O-CB 3.14Å; P324-A328 PolarHBondContact O-N 3.17Å; E326-A328 PolarHBondContact O-N 3.32Å; A328-S332 WeakPolarHBondContact O-CB 3.47Å; A328-S332 PolarHBondContact O-N 2.99Å; A328-S332 VanDerWaalsContact O-N 3.14Å; A328-S332 PolarHBondContact O-OG 3.37Å
329K80.1Confident73.4Confident133 Ų13394.8 Ų94.858%0.57852%0.52SS*.Hα-helixtrans-69.2-53173.1-72.4175.3179.5-177.80111.6S325 E326 R327 D331 S332 E333S325-K329 WeakPolarHBondContact O-CG 3.34Å; S325-K329 PolarHBondContact O-N 3.49Å; E326-K329 WeakPolarHBondContact O-CB 3.39Å; E326-K329 PolarHBondContact O-N 3.46Å; R327-K329 PolarHBondContact O-N 2.88Å; K329-D331 VanDerWaalsContact C-N 3.35Å; K329-D331 PolarHBondContact O-N 2.92Å; K329-S332 CarbonylContact O-C 3.6Å; K329-S332 WeakPolarHBondContact O-CA 3.46Å; K329-S332 WeakPolarHBondContact O-CB 3.49Å; K329-S332 PolarHBondContact O-N 2.84Å; K329-S332 PolarHBondContact O-OG 2.86Å; K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 2.7Å
330M76.1Confident74.5Confident113 Ų11396 Ų9656%0.55753%0.526SS*.Hα-helixtrans-58.8-43.7179.3-69.9-175.5-70.900112.4E326 R327 S332 E333 Y334E326-M330 HydrophobicContact CB-CE 4.47Å; E326-M330 PolarHBondContact O-N 3.19Å; R327-M330 PolarHBondContact O-N 3.01Å; M330-S332 VanDerWaalsContact C-N 3.29Å; M330-S332 PolarHBondContact O-N 3.39Å; M330-E333 PolarHBondContact O-N 3.41Å; M330-Y334 VanDerWaalsContact O-CB 3.24Å; M330-Y334 WeakPolarHBondContact O-CB 3.48Å; M330-Y334 PolarHBondContact O-N 3.02Å
331D79.3Confident75.5Confident76 Ų7697.2 Ų97.241%0.40653%0.532SS..Hα-helixtrans-65-32.9176.1-72.4-24.4000111R327 K329 T335R327-D331 WeakPolarHBondContact CG-OD2 3.33Å; R327-D331 IonicContact NE-OD2 3.29Å; R327-D331 PolarHBondContact NE-OD2 3.35Å; R327-D331 WeakPolarHBondContact O-CB 3.48Å; R327-D331 PolarHBondContact O-N 2.66Å; K329-D331 VanDerWaalsContact C-N 3.35Å; K329-D331 PolarHBondContact O-N 2.92Å; D331-T335 VanDerWaalsContact O-CB 3.3Å; D331-T335 WeakPolarHBondContact O-CB 3.32Å; D331-T335 PolarHBondContact O-N 3.14Å; D331-T335 PolarHBondContact O-OG1 3.26Å
332S84.9Confident75.5Confident69 Ų6994.8 Ų94.848%0.48353%0.534SS..Hα-helixtrans-72.4-40.9174.177.70000113.7A328 K329 M330 T335 A336A328-S332 WeakPolarHBondContact O-CB 3.47Å; A328-S332 PolarHBondContact O-N 2.99Å; A328-S332 VanDerWaalsContact O-N 3.14Å; A328-S332 PolarHBondContact O-OG 3.37Å; K329-S332 CarbonylContact O-C 3.6Å; K329-S332 WeakPolarHBondContact O-CA 3.46Å; K329-S332 WeakPolarHBondContact O-CB 3.49Å; K329-S332 PolarHBondContact O-N 2.84Å; K329-S332 PolarHBondContact O-OG 2.86Å; M330-S332 VanDerWaalsContact C-N 3.29Å; M330-S332 PolarHBondContact O-N 3.39Å; S332-T335 PolarHBondContact O-N 2.94Å; S332-A336 WeakPolarHBondContact O-CB 3.38Å; S332-A336 PolarHBondContact O-N 3.09Å
333E83.9Confident75.3Confident129 Ų12996.9 Ų96.960%0.60354%0.54SS*.Hα-helixtrans-68.1-40.7177.3-71.6169-150.200110.7K329 M330 A336 L337K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 2.7Å; M330-E333 PolarHBondContact O-N 3.41Å; E333-A336 PolarHBondContact O-N 3.41Å; E333-L337 WeakPolarHBondContact O-CB 3.39Å; E333-L337 PolarHBondContact O-N 3.5Å
334Y83.4Confident74.5Confident143 Ų14396.2 Ų96.256%0.56155%0.553SS**Hα-helixtrans-63.5-42.7172.1-177.1-98.1000112.1M330 L337 M338M330-Y334 VanDerWaalsContact O-CB 3.24Å; M330-Y334 WeakPolarHBondContact O-CB 3.48Å; M330-Y334 PolarHBondContact O-N 3.02Å; Y334-L337 PolarHBondContact O-N 3Å; Y334-M338 HydrophobicContact CD1-CG 4.14Å; Y334-M338 HydrophobicContact CE1-CG 3.73Å; Y334-M338 HydrophobicContact CE1-SD 4.45Å; Y334-M338 HydrophobicContact CE2-CE 4.19Å; Y334-M338 HydrophobicContact CE2-CG 4.41Å; Y334-M338 HydrophobicContact CE2-SD 4.49Å; Y334-M338 WeakPolarHBondContact O-CG 3.45Å; Y334-M338 PolarHBondContact O-N 3.29Å
335T85.4Confident72.9Confident91 Ų9196 Ų9656%0.55857%0.567SS**Hα-helixtrans-65.6-39.2177.3-57.90000111.6D331 S332 M338 A339D331-T335 VanDerWaalsContact O-CB 3.3Å; D331-T335 WeakPolarHBondContact O-CB 3.32Å; D331-T335 PolarHBondContact O-N 3.14Å; D331-T335 PolarHBondContact O-OG1 3.26Å; S332-T335 PolarHBondContact O-N 2.94Å; T335-M338 PolarHBondContact O-N 2.89Å; T335-A339 WeakPolarHBondContact O-CB 3.31Å; T335-A339 PolarHBondContact O-N 3.28Å
336A85.4Confident71.3Confident59 Ų5997.4 Ų97.449%0.48858%0.576SS.*Hα-helixtrans-62.6-44.4173.100000111.8S332 E333 M338 A339 E340S332-A336 WeakPolarHBondContact O-CB 3.38Å; S332-A336 PolarHBondContact O-N 3.09Å; E333-A336 PolarHBondContact O-N 3.41Å; A336-M338 PolarHBondContact O-N 3.29Å; A336-A339 WeakPolarHBondContact O-CB 3.46Å; A336-A339 PolarHBondContact O-N 3.18Å; A336-E340 PolarHBondContact O-N 3.17Å
337L81.2Confident69.9Low84 Ų84101.2 Ų101.244%0.4459%0.594SS.*Hα-helixtrans-62.7-40.4176.9-171.872.4000112.5E333 Y334 A339 E340 L341E333-L337 WeakPolarHBondContact O-CB 3.39Å; E333-L337 PolarHBondContact O-N 3.5Å; Y334-L337 PolarHBondContact O-N 3Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-E340 PolarHBondContact O-N 3.42Å; L337-L341 HydrophobicContact CD1-CD1 4.47Å; L337-L341 HydrophobicContact CG-CD1 4.1Å; L337-L341 WeakPolarHBondContact O-CB 3.39Å; L337-L341 WeakPolarHBondContact O-CG 3.44Å; L337-L341 PolarHBondContact O-N 3.47Å
338M81.6Confident68.4Low52 Ų5297.9 Ų97.926%0.25660%0.604SS.*Hα-helixtrans-68-31.9175.8-69.1-61.3100.100112.7Y334 T335 A336 L341 G342 V343Y334-M338 HydrophobicContact CD1-CG 4.14Å; Y334-M338 HydrophobicContact CE1-CG 3.73Å; Y334-M338 HydrophobicContact CE1-SD 4.45Å; Y334-M338 HydrophobicContact CE2-CE 4.19Å; Y334-M338 HydrophobicContact CE2-CG 4.41Å; Y334-M338 HydrophobicContact CE2-SD 4.49Å; Y334-M338 WeakPolarHBondContact O-CG 3.45Å; Y334-M338 PolarHBondContact O-N 3.29Å; T335-M338 PolarHBondContact O-N 2.89Å; A336-M338 PolarHBondContact O-N 3.29Å; M338-L341 HydrophobicContact CE-CD1 3.98Å; M338-G342 PolarHBondContact O-N 3.03Å; M338-V343 PolarHBondContact O-N 3.38Å
339A83.3Confident66.5Low73 Ų73103 Ų10360%0.60362%0.621SS**Hα-helixtrans-71-43.3172.600000112.1T335 A336 L337 G342T335-A339 WeakPolarHBondContact O-CB 3.31Å; T335-A339 PolarHBondContact O-N 3.28Å; A336-A339 WeakPolarHBondContact O-CB 3.46Å; A336-A339 PolarHBondContact O-N 3.18Å; L337-A339 VanDerWaalsContact C-N 3.33Å; A339-G342 PolarHBondContact O-N 3.15Å; A339-G342 VanDerWaalsContact O-N 3.13Å
340E81.9Confident64.7Low167 Ų167102.1 Ų102.178%0.7863%0.629SS**Hα-helixtrans-65.5-37.4178.2-173.2173.5-155.600112.4A336 L337 G342A336-E340 PolarHBondContact O-N 3.17Å; L337-E340 PolarHBondContact O-N 3.42Å; E340-G342 PolarHBondContact O-N 3.07Å
341L73.6Confident62.9Low113 Ų113103.1 Ų103.159%0.59264%0.644SS**THydrogen-bonded Turntrans-75.8-3.4174.5-69.1171.4000113.9L337 M338 V343L337-L341 HydrophobicContact CD1-CD1 4.47Å; L337-L341 HydrophobicContact CG-CD1 4.1Å; L337-L341 WeakPolarHBondContact O-CB 3.39Å; L337-L341 WeakPolarHBondContact O-CG 3.44Å; L337-L341 PolarHBondContact O-N 3.47Å; M338-L341 HydrophobicContact CE-CD1 3.98Å; L341-V343 VanDerWaalsContact C-N 3.31Å; L341-V343 HydrophobicContact CB-CG2 4.46Å; L341-V343 WeakPolarHBondContact O-CG2 3.35Å; L341-V343 PolarHBondContact O-N 3.34Å
342G59.7Low61Low64 Ų64103 Ų10366%0.6666%0.66SS**THydrogen-bonded Turntrans73.114.3175.600000115.4M338 A339 E340 G344M338-G342 PolarHBondContact O-N 3.03Å; A339-G342 PolarHBondContact O-N 3.15Å; A339-G342 VanDerWaalsContact O-N 3.13Å; E340-G342 PolarHBondContact O-N 3.07Å; G342-G344 PolarHBondContact O-N 3.21Å
343V58.7Low58.8Low114 Ų114107 Ų10769%0.69168%0.676SS**  trans-103.658.2-175.3-164.20000110.6M338 L341M338-V343 PolarHBondContact O-N 3.38Å; L341-V343 VanDerWaalsContact C-N 3.31Å; L341-V343 HydrophobicContact CB-CG2 4.46Å; L341-V343 WeakPolarHBondContact O-CG2 3.35Å; L341-V343 PolarHBondContact O-N 3.34Å
344G40.5Very low56.5Low70 Ų70112 Ų11272%0.72269%0.689SS**  trans-15443.5-170.200000115.1G342G342-G344 PolarHBondContact O-N 3.21Å
345G33.1Very low54.2Low83 Ų83108.4 Ų108.486%0.85670%0.696SS**  trans-125.350.4-169.900000116
346S36.7Very low51.9Low106 Ų106114 Ų11474%0.74171%0.713SS**  trans-155.1166.8171.570.50000112.2
347Q37.5Very low49.5Very low184 Ų184118.5 Ų118.586%0.8673%0.729SS**  trans75.6110.1-170.2-50.6-68.3-3.300114.2
348G37.2Very low47.6Very low71 Ų71118.4 Ų118.473%0.73274%0.74SS**  trans164.448.4-179.300000116.1P350G348-P350 WeakPolarHBondContact O-CD 3.45Å
349L33.9Very low45.6Very low169 Ų169124.3 Ų124.389%0.88577%0.772SS**  trans-83.8135.3173.8-77.986.5000112.2
350P42.3Very low43.7Very low114 Ų114129.5 Ų129.574%0.7478%0.784SS**  trans-111.4140.5144.635-28000111.2G348G348-P350 WeakPolarHBondContact O-CD 3.45Å
351P37.6Very low41.8Very low135 Ų135127.4 Ų127.488%0.87779%0.785SS**  trans-84.1123.1178.832-32.5000111.9
352G39.1Very low40.5Very low72 Ų72130.3 Ų130.374%0.74280%0.795SS**  trans-172.179.3-176.600000117.4
353L38Very low39.7Very low153 Ų153133 Ų13380%0.80180%0.801SS**  trans24.9129.2144.1-79.5160.1000121.8
354R37.4Very low38.9Very low234 Ų234134.5 Ų134.588%0.88381%0.81SS**  trans69.9106.9156.6-57.8173.2-174.1-92.4-0.2116
355G34Very low39Very low69 Ų69142 Ų14271%0.71182%0.817SS**  trans-101.8-169.4173.900000114
356F37.5Very low39.6Very low207 Ų207143.9 Ų143.991%0.90881%0.814SS**  trans-155.5167.2151.6-99-71.2000108.5
357N35.7Very low39.7Very low155 Ų155145.4 Ų145.483%0.82982%0.819SS**  trans-50.5155.9-179.3-53.3-27.6000112.3
358A39.7Very low39.9Very low82 Ų82148 Ų14868%0.67882%0.821SS**  cis-168.1-171.834.600000113.2
359L41.1Very low40.6Very low176 Ų176153.5 Ų153.592%0.92183%0.828SS**  trans78.2106.7157.5-64.8156.4000118.3
360Q41.9Very low41.7Very low182 Ų182151 Ų15185%0.8582%0.821SS**  trans-112.3130.2168174.1-17650.700109.1
361P43.8Very low42.8Very low123 Ų123151 Ų15180%0.79982%0.821SS**PPolyproline II helixtrans-84.1131.5172.8-9.927.5000112.3
362Q46Very low43.9Very low173 Ų173150.1 Ų150.181%0.80882%0.816SS**PPolyproline II helixtrans-89.3157.3164.7-104.2-159.5-11.500111.4
363P43.1Very low44.2Very low121 Ų121153.2 Ų153.279%0.78682%0.823SS**PPolyproline II helixtrans-70.2144.9172.930.9-34.6000111.7
364T42.2Very low44.4Very low145 Ų145149.5 Ų149.589%0.8982%0.821SS**PPolyproline II helixtrans-84132.2-17041.90000113.8
365R41.9Very low45Very low229 Ų229145.6 Ų145.686%0.86482%0.823SS**PPolyproline II helixtrans-96.5140.2168.2-173.5-177.5-174.8-165.93.6108.9T367R365-T367 PolarHBondContact O-N 2.73Å
366P44.8Very low45.4Very low122 Ų122146 Ų14679%0.79282%0.82SS**PPolyproline II helixtrans-64.2130.5-18025.1-34.2000112.1
367T38.3Very low45.4Very low138 Ų138141.4 Ų141.485%0.84781%0.813SS**PPolyproline II helixtrans-75129.6-175.4-43.50000111.7R365R365-T367 PolarHBondContact O-N 2.73Å
368R42.7Very low46.1Very low239 Ų239142.5 Ų142.590%0.90281%0.811SS**PPolyproline II helixtrans-72.4132.3165.1-79.2-175165.4-150.9-3109.9
369Q51.4Low46.3Very low186 Ų186145.4 Ų145.487%0.86982%0.815SS**PPolyproline II helixtrans-73.8148.9162.2-73.9-178.9-80.600110.5
370P56.7Low46.8Very low115 Ų115144.6 Ų144.675%0.74781%0.812SS**PPolyproline II helixtrans-76.7151.7168.533.1-34.4000111.2
371P66.5Low46.9Very low114 Ų114143.3 Ų143.374%0.7481%0.811SS**PPolyproline II helixtrans-72.2158.9169.532.2-35.1000111.6
372P60.8Low47.1Very low118 Ų118145.4 Ų145.477%0.76682%0.815SS**PPolyproline II helixtrans-68152.5170.830.5-35.2000111.4
373P44.5Very low46.9Very low136 Ų136145.2 Ų145.288%0.88382%0.82SS**SBendtrans-76.8133.2-177.230.7-34.4000112
374G42.5Very low47.1Very low75 Ų75144.1 Ų144.177%0.77382%0.821SS**  trans142.746.1163.900000119.4
375V50.3Low47.1Very low152 Ų152145 Ų14592%0.92182%0.82SS**  trans-146.9150.4150.6-88.40000108.7
376A41.7Very low47.1Very low79 Ų79138.3 Ų138.365%0.65381%0.814SS**  trans-86.4154.2-176.700000112.2
377S37.9Very low46.9Very low109 Ų109135.8 Ų135.876%0.76281%0.81SS**  trans-70.3146.4163.5-52.20000110.7
378F50.9Low47.1Very low179 Ų179135.2 Ų135.279%0.78581%0.807SS**  trans-142.8105.9157.127.7-89.9000106.8
379D43.8Very low47Very low143 Ų143131.1 Ų131.177%0.76580%0.802SS**  trans-94.4122.1168.2-54.1-92.6000106.2
380D51.1Low46.4Very low159 Ų159126.9 Ų126.985%0.8579%0.792SS**  trans-139.9108.3171.5-86.9-62.3000107.6
381D44.2Very low45.6Very low154 Ų154127 Ų12782%0.82479%0.791SS**  trans-80.3145.1167.8-60-87.8000110.2
382D47.5Very low44.3Very low167 Ų167127.1 Ų127.189%0.89380%0.795SS**  trans-172.2127.6140.2-109.9-30.9000112.2
383D43.2Very low43.3Very low170 Ų170125.8 Ų125.891%0.90979%0.794SS**  trans-111124175.9-102.7-56.3000109.9
384A46.1Very low43.1Very low97 Ų97125.5 Ų125.580%0.80279%0.789SS**  trans-147.175.4-175.400000115.7
385D42.8Very low43.1Very low164 Ų164128.7 Ų128.788%0.87779%0.794SS**  trans25.7152.1142.9-158.228.1000125.1
386A42.2Very low42.6Very low89 Ų89127.6 Ų127.674%0.73679%0.788SS**  trans76.4137.5150.700000123.7
387G40Very low42.6Very low69 Ų69130 Ų13071%0.71180%0.8SS**  trans114.764.1154.400000118.3
388T42.4Very low42.6Very low126 Ų126131 Ų13177%0.77380%0.802SS**  74.5101.378.7-53.50000117.1
389N41.1Very low42.3Very low152 Ų152129.8 Ų129.881%0.81381%0.809SS**  trans60.2156.4146.2-78.4-9.3000121.1
390C38Very low42.1Very low97 Ų97129.1 Ų129.166%0.65581%0.81SS**  cis-165.5160.7-8.447.10000113.7
391T40.2Very low41.5Very low118 Ų118127.2 Ų127.272%0.72480%0.804SS**  trans53.6111147.451.20000123.9
392S39.2Very low41.4Very low117 Ų117125.9 Ų125.982%0.81880%0.802SS**  80.2144.1114.3-55.30000124.2
393A39.3Very low41.2Very low90 Ų90124.2 Ų124.274%0.74480%0.797SS**  trans10397.1149.200000121.2
394T40.5Very low41.1Very low129 Ų129121.6 Ų121.679%0.79179%0.792SS**  48.7115.6123.3-47.20000121.6
395T43.5Very low40.7Very low142 Ų142122.5 Ų122.587%0.87179%0.793SS**  -170.3163.5121.715.40000113.5
396T39.4Very low40.8Very low130 Ų130119.5 Ų119.580%0.79878%0.783SS**  trans-105.1147.9-177.748.60000113.2
397S40.8Very low40.7Very low129 Ų129122.5 Ų122.590%0.90279%0.786SS**  trans-174.3155138-87.10000114.2
398T38.9Very low40.7Very low131 Ų131127.3 Ų127.380%0.80479%0.79SS**  trans-96.9144.5177.747.20000113.3
399V45.2Very low40.8Very low153 Ų153132.6 Ų132.693%0.92780%0.797SS**  trans-158.3168.8144.6-106.60000111.9
400T38.3Very low40.7Very low129 Ų129129.5 Ų129.579%0.79179%0.793SS**  trans-112.4-170.6-165.9-22.40000112.8
401T39.9Very low41Very low118 Ų118135.2 Ų135.272%0.72481%0.807SS**  trans79.394.6163.853.50000120.7
402T41.3Very low41.4Very low127 Ų127133.7 Ų133.778%0.77981%0.806SS**  41.9141.9117.461.30000123.3
403V42.7Very low41.8Very low131 Ų131136.3 Ų136.379%0.79481%0.81SS**  trans111.6118.6149-176.10000117.6
404S40.7Very low43.4Very low115 Ų115137.6 Ų137.680%0.80481%0.811SS**  trans77.2139.6155.4-69.50000123.1
405S38.3Very low44.6Very low116 Ų116137.2 Ų137.281%0.81181%0.811SS**  trans-81.4-170.6173.7-19.90000111.7
406P45.4Very low45.9Very low102 Ų102136.3 Ų136.366%0.66281%0.808SS**  cis-146.3170.925.344.4-24.5000119.8
407N40Very low47Very low152 Ų152135.6 Ų135.681%0.81381%0.805SS**  trans65162.9160.9-56-16.4000116.3
408Q40.6Very low48.2Very low169 Ų169135.4 Ų135.479%0.7980%0.801SS**  cis-135.1155.47.6-57.8168.629.700110.7
409Y43.7Very low49.2Very low237 Ų237134.7 Ų134.793%0.92980%0.798SS**  trans168117.6138.4-90.3-57.3000109.4
410A38.5Very low49.4Very low88 Ų88133 Ų13373%0.72779%0.79SS**  trans-159.7122.9179.100000113.1
411F44.9Very low49.9Very low217 Ų217132.1 Ų132.195%0.95279%0.79SS**  trans-159.3151.4163.5-81.3-83.2000108
412A47.7Very low50.1Low85 Ų85133.4 Ų133.470%0.70279%0.787SS**  cis-162.1148.5-34.800000107.8
413L49.5Very low50.2Low172 Ų172136.9 Ų136.990%0.90179%0.788SS**  trans-111.1135.2171.9-74.5173.1000110.4
414P71Confident50.6Low118 Ų118136.8 Ų136.877%0.76679%0.788SS**PPolyproline II helixtrans-78.2149.4174.731.8-34.1000112.4
415P67.2Low50.9Low120 Ų120136.4 Ų136.478%0.77978%0.782SS**PPolyproline II helixtrans-91.1162.1-17436-36.8000115.1
416P70.7Confident51.3Low124 Ų124139.8 Ų139.881%0.80579%0.787SS**PPolyproline II helixtrans-78.9170.117533-35.9000114.6
417P62.1Low51.5Low115 Ų115140.8 Ų140.875%0.74779%0.792SS**  trans-106.8173.7-153.441.1-37.9000116.8
418P64.9Low52.1Low124 Ų124139.7 Ų139.781%0.80579%0.79SS**  trans-98.4145.5172.837.1-33000115
419P60.5Low52.6Low116 Ų116136.8 Ų136.875%0.75379%0.786SS**  trans-119.6-167.4160.943.4-33000110.8
420P49.7Very low52.8Low117 Ų117131.5 Ų131.576%0.7678%0.778SS**  cis-128.4178.7-18.840.6-26000113.9
421S47.9Very low53.6Low111 Ų111134.2 Ų134.278%0.77679%0.786SS**  trans166153.2147.1-79.20000111
422Q44.2Very low53.5Low145 Ų145128.7 Ų128.768%0.67877%0.772SS**  cis-170.2172.2-27.6-114.1-174.15.400107.6
423Y43.9Very low53.2Low201 Ų201135.9 Ų135.979%0.78878%0.781SS**  trans71.5144.4173.7-52.8-77.1000117.3
424T50.7Low53.1Low129 Ų129132.2 Ų132.279%0.79178%0.776SS**  cis-152.6163-0.66.60000111.9
425P47.2Very low51.9Low106 Ų106133.1 Ų133.169%0.68878%0.779SS**  trans-125.7169.6-166.843.1-31000118.8
426M46.9Very low50.7Low187 Ų187132.8 Ų132.892%0.92178%0.777SS**  trans-149.7126.5157.7-71.3-174.4163.100107.9
427V49.3Very low49.2Very low124 Ų124131.4 Ų131.475%0.75278%0.776SS**  cis80.1120.529.6-173.30000111.2
428T53.2Low48.4Very low128 Ų128132.3 Ų132.379%0.78578%0.779SS**  cis-125.3-115.34839.40000118.5
429P51.2Low47.8Very low108 Ų108132.9 Ų132.970%0.70178%0.78SS**  trans-128.3143.2-138.638.4-16.6000117.9
430V48.8Very low47.5Very low127 Ų127132.4 Ų132.477%0.7778%0.777SS**  70.8110.466.3-178.30000116.9
431T54.8Low47.6Very low144 Ų144132.4 Ų132.488%0.88378%0.777SS**  trans-150.9135.4141.4220000110.2
432P42.5Very low47.6Very low101 Ų101136.1 Ų136.166%0.65678%0.784SS**  trans-122-163.5-17439.8-26.4000115.5
433W41.1Very low48.4Very low237 Ų237135 Ų13590%0.89879%0.789SS**  trans66.3109.2156.683.1-74.7000122.1
434A47.8Very low48.5Very low95 Ų95128.9 Ų128.979%0.78579%0.788SS**  -179141.8124.900000113.3
435T44.5Very low48.2Very low136 Ų136133.9 Ų133.983%0.83479%0.794SS**  trans-126.8177.1166.4580000107.7
436P43.8Very low48.6Very low114 Ų114134.5 Ų134.574%0.7480%0.798SS**  cis-139.2-178.17.643.9-25.1000117.1
437A37.6Very low48.2Very low95 Ų95130.7 Ų130.779%0.78579%0.79SS**  trans6.9131.1155.900000122.6
438V45.8Very low47.8Very low134 Ų134131.4 Ų131.481%0.81280%0.795SS**  trans-139.5139.3148.91750000110.2
439V52Low47.3Very low136 Ų136130 Ų13082%0.82480%0.796SS**  trans-140.8130.1167.11750000106.9
440P54.7Low46.8Very low106 Ų106129.3 Ų129.369%0.68880%0.8SS**  -148.6-159.7128.843.3-24.7000112
441P51.1Low46.4Very low117 Ų117134.1 Ų134.176%0.7681%0.805SS**  -132.9-178.4-98.539.8-19.6000115.6
442M48.2Very low46Very low188 Ų188132.4 Ų132.493%0.92680%0.797SS**  trans-87.4146.6168.5-76.3-153.6-168.700113.8
443P61.8Low46Very low121 Ų121133.4 Ų133.479%0.78680%0.801SS**  trans-102.3160.614436.7-28.2000111.1
444G46.2Very low46.1Very low74 Ų74127.5 Ų127.576%0.76380%0.796SS**  cis150.9101.2-2.200000111.4
445Y44.8Very low45.9Very low233 Ų233126.1 Ų126.191%0.91479%0.791SS**  trans-85.4147.9176.3-71.6-86.5000112.5
446P55.5Low46.2Very low120 Ų120126.8 Ų126.878%0.77980%0.795SS**  trans-103.6165.615236.3-28.9000112.1
447S37.2Very low46.3Very low107 Ų107127.7 Ų127.775%0.74880%0.801SS**  trans-138.7168.9178.8-66.90000111.5
448T42.2Very low46.4Very low138 Ų138127.5 Ų127.585%0.84780%0.799SS**  trans123.9145.7144.264.10000117.4
449A41.2Very low46.2Very low99 Ų99128 Ų12882%0.81880%0.802SS**  trans64.9145.2162.300000118.9
450A41.8Very low45.6Very low94 Ų94126.4 Ų126.478%0.77780%0.804SS**  cis-159.7165-18.300000111.1
451Y40.4Very low44.9Very low227 Ų227124.9 Ų124.989%0.8981%0.807SS**  trans-77.1174.7170.8-70.5-72.5000111.5
452P45.6Very low44.1Very low108 Ų108124.4 Ų124.470%0.70181%0.813SS**  cis-152.3175.824.644.3-22.6000121.3
453T43.1Very low43.8Very low122 Ų122125.9 Ų125.975%0.74881%0.809SS**  trans72.7143.3141.2-150.90000124.6
454S43.3Very low42.6Very low114 Ų114125.3 Ų125.380%0.79781%0.808SS**  trans73.1134.3154.9-51.60000119.4
455G42.5Very low42.3Very low66 Ų66131 Ų13168%0.6882%0.815SS**  cis172.9164.3-9.300000114.8
456V51Low41.8Very low150 Ų150126 Ų12691%0.90981%0.809SS**  trans55.3138.2164.6-62.50000122.5
457P46.2Very low41Very low132 Ų132127.3 Ų127.386%0.85782%0.815SS**  trans-117.2158.4170.240.6-31.2000115.7
458A40.5Very low41Very low92 Ų92130.2 Ų130.276%0.7682%0.822SS**  trans-152.8131.8165.800000107.6
459V40.9Very low40.7Very low144 Ų144127 Ų12787%0.87382%0.816SS**  87.8137.755.1170.10000113.1
460A39.7Very low40.5Very low103 Ų103125.5 Ų125.585%0.85181%0.81SS**  trans74.5145.5-174.200000115.9
461G40.2Very low40.4Very low73 Ų73126.8 Ų126.875%0.75381%0.814SS**  cis-163.4170.7-1.900000112.9
462A34.1Very low40.3Very low107 Ų107120.9 Ų120.988%0.88481%0.806SS**  trans-105.5148177.200000111
463Y42.6Very low40.2Very low220 Ų220122.2 Ų122.286%0.86381%0.806SS**  trans-142.9148.616359.3-87.5000109.9
464S35.4Very low40.1Very low109 Ų109123 Ų12376%0.76281%0.805SS**  trans-97.3159.4-178.2-490000110.7
465E39.7Very low39.8Very low192 Ų192123.4 Ų123.490%0.89780%0.795SS**  trans-151.4156.4143.5-126171.5175.700111.9
466V34.7Very low39.6Very low130 Ų130130.5 Ų130.579%0.78880%0.801SS**  trans-141.3121.9-173.3172.70000108.8
467T39.6Very low39.3Very low147 Ų147130.7 Ų130.790%0.90279%0.792SS**  trans-138.9146.1165.140.30000112.5
468N36.2Very low39.3Very low167 Ų167130.2 Ų130.289%0.89379%0.789SS**  trans-104.4158.3-168.2176.419.2000110.4
469G35.7Very low39.3Very low70 Ų70130.2 Ų130.272%0.72278%0.783SS**  trans140.7113.3147.900000119.3
470G37.3Very low39.6Very low69 Ų69130 Ų13071%0.71178%0.782SS**  108.7109.8122.500000120.2
471S39.1Very low40Very low121 Ų121131.1 Ų131.185%0.84678%0.78SS**  trans65.9152.4144-55.10000119.4
472S40.1Very low40.1Very low103 Ų103131 Ų13172%0.7278%0.779SS**  cis-170-171.9-19.9-81.80000106
473L41.7Very low40.4Very low135 Ų135132 Ų13271%0.70778%0.78SS**  cis-161.2147.97.1-162.773.3000109.3
474N40.9Very low40.3Very low138 Ų138126 Ų12674%0.73878%0.775SS**  trans62.3159.1157.8-74.4-3.2000119.4
475H38.3Very low40.3Very low124 Ų124125.5 Ų125.557%0.57477%0.772SS**  cis-169.4134-27.2-163.429.8000105.1
476W38.3Very low40.3Very low215 Ų215127.2 Ų127.281%0.81477%0.77SS**  -179158.884.6-86.996.4000110.4
477H43.5Very low40.5Very low154 Ų154125.8 Ų125.871%0.71377%0.766SS**  trans-119.3172.8169.4-127.8-119.1000108.3S479H477-S479 PolarHBondContact ND1-OG 3.45Å; H477-S479 VanDerWaalsContact ND1-OG 3.1Å
478P46Very low40.4Very low122 Ų122125.7 Ų125.779%0.79276%0.76SS**  -143.8-152.855.937.2-14.3000113.7
479S41.4Very low40.6Very low92 Ų92122 Ų12264%0.64375%0.747SS**  -163.2-179.4-71.2-73.70000108.7H477H477-S479 PolarHBondContact ND1-OG 3.45Å; H477-S479 VanDerWaalsContact ND1-OG 3.1Å
480V47.9Very low40.8Very low140 Ų140124 Ų12485%0.84875%0.75SS**  trans-133.3147.1-173.4-161.50000112.5
481P47.9Very low41.1Very low126 Ų126125.8 Ų125.882%0.81875%0.752SS**  trans-135.2165.9149.738.5-25.3000113.2
482G42.4Very low41.4Very low70 Ų70128.5 Ų128.572%0.72275%0.751SS**  cis173.1123.9-7.700000114.4
483S39.6Very low41.7Very low128 Ų128130.2 Ų130.290%0.89576%0.757SS**  trans29120.2148.860.60000124.7
484A41.5Very low42.2Very low94 Ų94129.8 Ų129.878%0.77776%0.762SS**  trans-164.2134.8137.100000107.4
485S33.6Very low42.3Very low98 Ų98128.1 Ų128.169%0.68577%0.768SS**  59.1131.656.8-1530000112.3
486W41Very low42.7Very low229 Ų229125.6 Ų125.687%0.86778%0.775SS**  cis-144.917238.5-7866.7000115.3
487S39.1Very low43.5Very low100 Ų100122.3 Ų122.370%0.69978%0.778SS**  trans-47.5167.516445.40000117.5
488D36.9Very low43.8Very low144 Ų144120.2 Ų120.277%0.7778%0.778SS**  cis-178173.9-13.1172.945.7000109.8
489S40Very low44.1Very low90 Ų90120.5 Ų120.563%0.62978%0.778SS**  trans92.2131.9145.8-94.60000122.9
490S40.7Very low44.2Very low111 Ų111121.9 Ų121.978%0.77678%0.784SS**  trans67.5138.5160.1-66.60000119.6
491S43.7Very low43.6Very low107 Ų107118.8 Ų118.875%0.74878%0.781SS**  cis-170.9171.9-7.2-99.70000107.3
492Q44.4Very low43.4Very low179 Ų179119.6 Ų119.684%0.83678%0.784SS**  cis-157166.17.3-145-178.99.900109.8
493V46.5Very low43.4Very low139 Ų139120.5 Ų120.584%0.84279%0.785SS**  trans-150.6154.3169.6-75.50000112.7
494P52.1Low43.2Very low126 Ų126123.5 Ų123.582%0.81879%0.787SS**  trans-145.1163.3135.532-14.5000114.3
495A44.3Very low43.6Very low103 Ų103124.9 Ų124.985%0.85179%0.785SS**  cis-170.5163.8-18.600000111.7
496G46.1Very low44.2Very low71 Ų71125.2 Ų125.273%0.73279%0.785SS**  trans100.5144.7163.600000116.2
497V54.4Low45.1Very low145 Ų145120.3 Ų120.388%0.87978%0.782SS**  cis-147.6149.5-5.8-173.20000107.8
498P50.7Low45.4Very low110 Ų110125.8 Ų125.871%0.71479%0.789SS**  trans-121.5-164.2-156.135.1-17.1000117.3
499V52Low45.4Very low129 Ų129130 Ų13078%0.78280%0.796SS**  trans88143.2162.2-162.70000116.8
500P44.5Very low45.6Very low120 Ų120133.3 Ų133.378%0.77981%0.806SS**  cis-115.8-178.2-49.137.9-20.2000110.8
501G35.2Very low45.8Very low75 Ų75133.6 Ų133.677%0.77381%0.805SS**  cis117.166.112.100000112.8
502T43.7Very low45.9Very low143 Ų143134.1 Ų134.188%0.87780%0.804SS**  trans-134.6145.2174.5-46.60000111.3
503A41Very low46.5Very low90 Ų90131.9 Ų131.974%0.74481%0.805SS**  trans-59.2143.6-16500000116.4
504M35.3Very low46.1Very low191 Ų191130.5 Ų130.594%0.94180%0.797SS**  trans-82.6136.9162.5-69.6-170171.700110.7
505V50.4Low45.3Very low123 Ų123131.5 Ų131.575%0.74580%0.796SS**  trans-125.6125.5168.5179.90000107.4
506P46.4Very low44.9Very low104 Ų104137.7 Ų137.768%0.67580%0.798SS**PPolyproline II helixtrans-74.7131.4178.829.8-33000110.5
507P59.6Low44.4Very low126 Ų126146.2 Ų146.282%0.81881%0.809SS**PPolyproline II helixtrans-67.8136.8166.629.4-32.7000109.5
508Y45.1Very low43.6Very low216 Ų216144.3 Ų144.385%0.84781%0.808SS**PPolyproline II helixtrans-66.2150.5-175.9-82.5-112.5000112.5L510Y508-L510 PolarHBondContact O-N 3.03Å
509Y36.6Very low42.7Very low233 Ų233142 Ų14291%0.91481%0.805SS**PPolyproline II helixtrans-54.6127.3160.7-95.5-110.9000110
510L44.2Very low42.1Very low159 Ų159146.6 Ų146.683%0.83281%0.809SS**  trans-117.5124.6160-123.577.5000108.3Y508Y508-L510 PolarHBondContact O-N 3.03Å
511P44.9Very low41.8Very low117 Ų117148.1 Ų148.176%0.7682%0.817SS**  trans-72.1143.9175.929.8-33.5000110.7
512T47.7Very low41.9Very low117 Ų117146.9 Ų146.972%0.71880%0.804SS**  trans-69.2131.8171.647.80000110.6T514T512-T514 PolarHBondContact O-N 3.2Å
513P55Low41.5Very low133 Ų133143.9 Ų143.986%0.86480%0.802SS**  trans-72.3101.5170.829.3-32.5000109.9
514T39Very low41.8Very low109 Ų109149.5 Ų149.567%0.66981%0.805SS**  trans-72.9144.5165.743.40000110.9T512T512-T514 PolarHBondContact O-N 3.2Å
515D34.4Very low42Very low148 Ų148145 Ų14579%0.79180%0.799SS**  trans54.790.8156.3-54.7-44.6000118.8
516Y36.6Very low41.8Very low232 Ų232143.2 Ų143.291%0.9180%0.796SS**  trans-137.753.5159.4-116-81.8000112.8
517W34.9Very low42Very low251 Ų251143.3 Ų143.395%0.95180%0.799SS**  trans-148.954.9165.1-136.2-43.1000115
518A38.4Very low41.9Very low104 Ų104143.3 Ų143.386%0.8680%0.797SS**  trans-105.1141.6163.500000110.3
519G32.4Very low42.9Very low63 Ų63138.5 Ų138.565%0.64979%0.792SS**  trans104.739.4163.800000119.3
520Y39.5Very low44.3Very low224 Ų224134.5 Ų134.588%0.87879%0.787SS**  trans-136.257.2157-93.5-66.9000113.4G522Y520-G522 PolarHBondContact O-N 3.36Å
521T36.8Very low45.7Very low153 Ų153132.2 Ų132.294%0.93978%0.781SS**  trans-72.478.2161.448.40000109.7
522G37.5Very low47.2Very low48 Ų48132.1 Ų132.150%0.49578%0.781SS.*  trans-147.830.5-175.100000113.3Y520 Y524Y520-G522 PolarHBondContact O-N 3.36Å; G522-Y524 PolarHBondContact O-N 3.3Å
523G35.9Very low48.7Very low81 Ų81132 Ų13284%0.83578%0.782SS**  trans-71.790.2-17700000112.6A525G523-A525 PolarHBondContact O-N 3.19Å
524Y46.1Very low49.8Very low207 Ų207131.1 Ų131.181%0.81278%0.776SS**  trans-60.1125.6157.749.5-87.3000108.2G522 A526G522-Y524 PolarHBondContact O-N 3.3Å; Y524-A526 PolarHBondContact O-N 2.82Å
525A40.8Very low51.7Low98 Ų98131.4 Ų131.481%0.8178%0.78SS**  trans-70.595.6179.600000109.3G523 S527G523-A525 PolarHBondContact O-N 3.19Å; A525-S527 VanDerWaalsContact C-N 3.34Å; A525-S527 PolarHBondContact O-N 3.38Å
526A45Very low53.8Low84 Ų84129.8 Ų129.869%0.69478%0.777SS**  trans-63.497.5168.300000108.2Y524 V528Y524-A526 PolarHBondContact O-N 2.82Å; A526-V528 PolarHBondContact O-N 3.28Å
527S51.9Low55.6Low106 Ų106124.1 Ų124.174%0.74177%0.769SS**PPolyproline II helixtrans-60.3121.7179.738.40000109.6A525 P529A525-S527 VanDerWaalsContact C-N 3.34Å; A525-S527 PolarHBondContact O-N 3.38Å; S527-P529 WeakPolarHBondContact O-CD 3.3Å
528V58.3Low57.4Low126 Ų126118 Ų11876%0.76476%0.761SS**PPolyproline II helixtrans-57.3123.1166.2-179.80000106.5A526 N530A526-V528 PolarHBondContact O-N 3.28Å; V528-N530 PolarHBondContact O-N 2.99Å
529P64Low58.6Low116 Ų116117 Ų11775%0.75376%0.761SS**PPolyproline II helixtrans-58.8125.8177-23.734.1000109.2S527S527-P529 WeakPolarHBondContact O-CD 3.3Å
530N67.5Low59.1Low149 Ų149124 Ų12480%0.79779%0.791SS**PPolyproline II helixtrans-54.5138.9171.3-80.2-30.6000108.8V528V528-N530 PolarHBondContact O-N 2.99Å
531P73Confident60Low111 Ų111119.1 Ų119.172%0.72179%0.787SS**PPolyproline II helixtrans-57.2140.3173.725.7-33.8000109
532P77.3Confident61.3Low115 Ų115117.3 Ų117.375%0.74778%0.779SS**PPolyproline II helixtrans-59.9142.9179.326-34.2000109.7
533P77.7Confident62.6Low115 Ų115121.1 Ų121.175%0.74780%0.795SS**PPolyproline II helixtrans-59.5148.317526.8-34.4000110.1
534P78.4Confident64.2Low114 Ų114123.5 Ų123.574%0.7479%0.792SS**PPolyproline II helixtrans-59.2146.9175.126.8-34.5000110.2
535P80.3Confident65.3Low114 Ų114118.3 Ų118.374%0.7479%0.791SS**PPolyproline II helixtrans-60.9145.9176.627.3-34.7000110.1
536P76.7Confident66.9Low114 Ų114119.6 Ų119.674%0.7479%0.79SS**PPolyproline II helixtrans-59.6147.9172.127.5-34.5000109.8
537P75.9Confident68.5Low113 Ų113122.1 Ų122.173%0.73480%0.797SS**PPolyproline II helixtrans-58.8147.1174.326.6-34.4000110.2G539P537-G539 PolarHBondContact O-N 3.43Å
538P72.7Confident69.8Low122 Ų122123.4 Ų123.479%0.79280%0.801SS**PPolyproline II helixtrans-59.6123.4175.825.8-33.5000109.4
539G62.8Low70.7Confident83 Ų83123.2 Ų123.286%0.85680%0.804SS**PPolyproline II helixtrans-65.5133.1-176.800000112.3P537P537-G539 PolarHBondContact O-N 3.43Å
540V42.2Very low71.3Confident212 Ų212123.8 Ų123.8100%1.28581%0.809SS**  trans-133.70173.8-176.40000107.6

Retrieved 540 of 540 residues in 583 ms (Link to these results)