A0A3Q0KTL3_SCHMA Loading...

Tesmin-related

AlphaFold DB , UniProt , Accession A0A3Q0KTL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 471 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.4Very low50.1Low237 Ų23782.5 Ų82.5100%1.16745%0.454SS*.  0131.90-63.8176.4-176.600107.7I3M1-I3 PolarHBondContact O-N 2.84Å
2A37.3Very low50.5Low105 Ų10582.4 Ų82.487%0.86846%0.458SS*.  trans-68.4115.4175.500000109.3N4A2-N4 PolarHBondContact O-N 3.15Å
3I42.7Very low50.2Low106 Ų10691.1 Ų91.154%0.54448%0.479SS..  trans-70.2125.8176.4-61.4176.2000106.8M1 T5 Q10M1-I3 PolarHBondContact O-N 2.84Å; I3-T5 WeakPolarHBondContact O-CG2 3.48Å; I3-T5 PolarHBondContact O-N 2.99Å; I3-Q10 VanDerWaalsContact CG2-OE1 3.25Å
4N43.2Very low49.4Very low88 Ų8897.3 Ų97.347%0.47150%0.5SS..  trans-82.786.9-175.7175.35.6000109.6A2 N6 Q10A2-N4 PolarHBondContact O-N 3.15Å; N4-N6 PolarHBondContact O-N 2.85Å; N4-N6 WeakPolarHBondContact OD1-CB 3.33Å; N4-N6 PolarHBondContact OD1-N 3.36Å; N4-N6 PolarHBondContact OD1-ND2 3.06Å; N4-Q10 PolarHBondContact O-NE2 2.67Å; N4-Q10 PolarHBondContact O-OE1 2.83Å
5T51.3Low48.9Very low18 Ų1898.2 Ų98.211%0.1152%0.515CS..THydrogen-bonded Turntrans-59.2-8.1-172.5620000115.9I3 T7 L118 E121 R124I3-T5 WeakPolarHBondContact O-CG2 3.48Å; I3-T5 PolarHBondContact O-N 2.99Å; T5-T7 PolarHBondContact O-N 3.06Å; T5-T7 VanDerWaalsContact O-N 3.14Å; T5-L118 WeakPolarHBondContact OG1-CD2 3.34Å; T5-E121 WeakPolarHBondContact CG2-OE1 3.3Å; T5-R124 PolarHBondContact O-NH1 3.43Å; T5-R124 PolarHBondContact O-NH2 2.9Å
6N52Low48.5Very low69 Ų6998 Ų9837%0.36953%0.532SS..THydrogen-bonded Turntrans-68.5-6.3-175.6-71.1-72.5000115.5N4 Q104N4-N6 PolarHBondContact O-N 2.85Å; N4-N6 WeakPolarHBondContact OD1-CB 3.33Å; N4-N6 PolarHBondContact OD1-N 3.36Å; N4-N6 PolarHBondContact OD1-ND2 3.06Å; N6-Q104 PolarHBondContact O-NE2 3.04Å
7T60.7Low47.9Very low49 Ų49103.2 Ų103.230%0.30155%0.552SS.*  trans-138.8123.5176.5-17.30000112.2T5 V9 Q10 G103T5-T7 PolarHBondContact O-N 3.06Å; T5-T7 VanDerWaalsContact O-N 3.14Å; T7-V9 HydrophobicContact CG2-CB 4.31Å; T7-V9 HydrophobicContact CG2-CG2 3.85Å; T7-V9 PolarHBondContact O-N 3.17Å; T7-Q10 PolarHBondContact O-N 3.32Å; T7-Q10 VanDerWaalsContact O-N 3.14Å; T7-G103 WeakPolarHBondContact CA-O 3.46Å
8A60.9Low47.4Very low2 Ų2105.7 Ų105.72%0.01756%0.563CS.*G310 helixtrans-53.1-24175.900000113.9Q10 Y11 G103 I128 F139A8-Q10 PolarHBondContact O-N 3.43Å; A8-Q10 VanDerWaalsContact O-N 3.12Å; A8-Y11 PolarHBondContact O-N 3.41Å; A8-Y11 VanDerWaalsContact O-N 3.09Å; A8-G103 PolarHBondContact N-O 2.82Å; A8-G103 VanDerWaalsContact N-O 3.12Å; A8-I128 HydrophobicContact CB-CD1 4.02Å; A8-I128 HydrophobicContact CB-CG1 4.25Å; A8-I128 HydrophobicContact CB-CG2 4.14Å; A8-F139 HydrophobicContact CB-CB 4.43Å; A8-F139 HydrophobicContact CB-CD1 4.03Å; A8-F139 HydrophobicContact CB-CD2 4.03Å; A8-F139 HydrophobicContact CB-CE1 4.27Å; A8-F139 HydrophobicContact CB-CE2 4.27Å; A8-F139 HydrophobicContact CB-CG 3.9Å; A8-F139 HydrophobicContact CB-CZ 4.38Å
9V58.1Low46.7Very low83 Ų83105.7 Ų105.750%0.50357%0.573SS.*G310 helixtrans-50.9-31.7175.1-178.20000113.5T7 Y11 V12T7-V9 HydrophobicContact CG2-CB 4.31Å; T7-V9 HydrophobicContact CG2-CG2 3.85Å; T7-V9 PolarHBondContact O-N 3.17Å; V9-Y11 VanDerWaalsContact C-N 3.3Å; V9-Y11 PolarHBondContact O-N 2.74Å; V9-V12 WeakPolarHBondContact O-CB 3.41Å; V9-V12 PolarHBondContact O-N 2.71Å
10Q54.8Low46.3Very low76 Ų76106.7 Ų106.736%0.35558%0.582SS.*G310 helixtrans-70.7-24.1-178.8-71-179.530.400113.7I3 N4 T7 A8 V12I3-Q10 VanDerWaalsContact CG2-OE1 3.25Å; N4-Q10 PolarHBondContact O-NE2 2.67Å; N4-Q10 PolarHBondContact O-OE1 2.83Å; T7-Q10 PolarHBondContact O-N 3.32Å; T7-Q10 VanDerWaalsContact O-N 3.14Å; A8-Q10 PolarHBondContact O-N 3.43Å; A8-Q10 VanDerWaalsContact O-N 3.12Å; Q10-V12 PolarHBondContact O-N 3.31Å
11Y56.4Low45.9Very low74 Ų74110.2 Ų110.229%0.2960%0.599SS.*G310 helixtrans-72.2-14.7177.8-67.7-95.5000113A8 V9 R13 I128A8-Y11 PolarHBondContact O-N 3.41Å; A8-Y11 VanDerWaalsContact O-N 3.09Å; V9-Y11 VanDerWaalsContact C-N 3.3Å; V9-Y11 PolarHBondContact O-N 2.74Å; Y11-R13 VanDerWaalsContact C-N 3.32Å; Y11-R13 PolarHBondContact O-N 3.11Å; Y11-I128 HydrophobicContact CD1-CG2 4.5Å; Y11-I128 HydrophobicContact CD2-CD1 3.91Å; Y11-I128 HydrophobicContact CD2-CG2 3.95Å; Y11-I128 HydrophobicContact CE2-CD1 3.72Å; Y11-I128 HydrophobicContact CG-CG2 3.81Å
12V55Low46Very low82 Ų82102.1 Ų102.150%0.49758%0.576SS.*G310 helixtrans-76.4-16.2-179.1-173.50000112.6V9 Q10 L132V9-V12 WeakPolarHBondContact O-CB 3.41Å; V9-V12 PolarHBondContact O-N 2.71Å; Q10-V12 PolarHBondContact O-N 3.31Å; V12-L132 HydrophobicContact CG2-CD1 3.73Å; V12-L132 HydrophobicContact CG2-CD2 3.98Å
13R47Very low46.2Very low195 Ų195102 Ų10274%0.73658%0.576SS**G310 helixtrans-107.36-165.8-76.8-170.9174.2175-2.3117.1Y11 P15Y11-R13 VanDerWaalsContact C-N 3.32Å; Y11-R13 PolarHBondContact O-N 3.11Å; R13-P15 VanDerWaalsContact O-CD 3.29Å; R13-P15 WeakPolarHBondContact O-CD 3.27Å
14K39.2Very low46.4Very low178 Ų178102.3 Ų102.377%0.77459%0.594SS**  trans-103.399.8172.4-100.9-172.3171.2-172.70111.2
15P41.4Very low46.3Very low111 Ų111101.7 Ų101.772%0.72161%0.609SS**  trans-60.4146154.628.9-33.3000108.5R13 E17R13-P15 VanDerWaalsContact O-CD 3.29Å; R13-P15 WeakPolarHBondContact O-CD 3.27Å; P15-E17 PolarHBondContact O-N 3.33Å
16A42.6Very low45.7Very low95 Ų95107.9 Ų107.979%0.78565%0.647SS**  trans-73.3116.9173.900000109I18A16-I18 VanDerWaalsContact C-N 3.33Å; A16-I18 PolarHBondContact O-N 2.93Å
17E38.4Very low45.3Very low186 Ų186113.1 Ų113.187%0.86967%0.666SS**  trans-67.894.1167.2-71.8-179.1156.500108.5P15 S19P15-E17 PolarHBondContact O-N 3.33Å; E17-S19 PolarHBondContact O-N 2.9Å
18I38Very low44.5Very low149 Ų149117.3 Ų117.376%0.76469%0.691SS**  trans-82.191.5171.9-155.8165000107.8A16 V20A16-I18 VanDerWaalsContact C-N 3.33Å; A16-I18 PolarHBondContact O-N 2.93Å; I18-V20 VanDerWaalsContact C-N 3.33Å; I18-V20 PolarHBondContact O-N 3.34Å
19S35.5Very low43.5Very low106 Ų106120.4 Ų120.474%0.74172%0.717SS**  trans-70.487.2178.7-650000110.9E17 L21E17-S19 PolarHBondContact O-N 2.9Å; S19-L21 PolarHBondContact O-N 3.22Å
20V38.8Very low42.7Very low124 Ų124122.8 Ų122.875%0.75273%0.732SS**  trans-76.4108.6166.6179.50000108.1I18 G22I18-V20 VanDerWaalsContact C-N 3.33Å; I18-V20 PolarHBondContact O-N 3.34Å; V20-G22 PolarHBondContact O-N 3.36Å
21L36.8Very low42.3Very low181 Ų181124.8 Ų124.895%0.94875%0.752SS**  trans-69.695173.3-82.3151.8000110.2S19S19-L21 PolarHBondContact O-N 3.22Å
22G35.6Very low41.6Very low67 Ų67129.8 Ų129.869%0.69178%0.78SS**  trans-113.3139.5166.200000110.2V20V20-G22 PolarHBondContact O-N 3.36Å
23A42.7Very low40.8Very low104 Ų104132.7 Ų132.786%0.8679%0.793SS**  trans-78.2148.9-168.400000114.4
24A45.9Very low40.4Very low111 Ų111131.1 Ų131.192%0.91779%0.794SS**SBendtrans72.2129.1168.500000118.4
25G41.1Very low40.2Very low76 Ų76127.9 Ų127.978%0.78479%0.789SS**  trans10468.216200000116.6F27G25-F27 PolarHBondContact O-N 3.19Å; G25-F27 VanDerWaalsContact O-N 3.16Å
26T39.8Very low40Very low148 Ų148130.7 Ų130.791%0.90879%0.79SS**  trans-72.7104.4170.646.60000112.2
27F42.6Very low39.8Very low178 Ų178130.1 Ų130.178%0.78178%0.777SS**  trans-114.1117.9158150.7-105000108G25 A29G25-F27 PolarHBondContact O-N 3.19Å; G25-F27 VanDerWaalsContact O-N 3.16Å; F27-A29 HydrophobicContact CE1-CB 3.95Å; F27-A29 HydrophobicContact CE2-CB 4.1Å; F27-A29 HydrophobicContact CZ-CB 3.56Å
28V43.7Very low40.1Very low137 Ų137126.9 Ų126.983%0.8377%0.772SS**  trans-104.497.2174.8-90.10000109.3
29A39.4Very low39.9Very low68 Ų68127.3 Ų127.356%0.56277%0.769SS**PPolyproline II helixtrans-73.1127.8163.700000110.1F27 P31F27-A29 HydrophobicContact CE1-CB 3.95Å; F27-A29 HydrophobicContact CE2-CB 4.1Å; F27-A29 HydrophobicContact CZ-CB 3.56Å; A29-P31 WeakPolarHBondContact O-CD 3.48Å
30T42.6Very low40.1Very low133 Ų133128.8 Ų128.882%0.81677%0.773SS**PPolyproline II helixtrans-75.2120.8172.7-13.20000110.1
31P45.8Very low39.9Very low117 Ų117127.7 Ų127.776%0.7676%0.763SS**PPolyproline II helixtrans-73131.1165.129.9-31.6000109.2A29 N33A29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-N33 PolarHBondContact O-N 3.05Å
32M41.4Very low40.1Very low179 Ų179125 Ų12588%0.88276%0.756SS**PPolyproline II helixtrans-63.6119.3-178.3-61.8177.481.500110.7Q34M32-Q34 PolarHBondContact O-N 2.91Å
33N38.3Very low40.1Very low143 Ų143127.9 Ų127.977%0.76575%0.754SS**  trans-73.392.5179.4-178.438.3000111.1P31 T35P31-N33 PolarHBondContact O-N 3.05Å; N33-T35 PolarHBondContact O-N 3.19Å
34Q39.5Very low40.1Very low162 Ų162131.7 Ų131.776%0.75776%0.757SS**  trans-78.4101.2165.8-69.3-166.418.100109.9M32 F36M32-Q34 PolarHBondContact O-N 2.91Å; Q34-F36 PolarHBondContact O-N 3.48Å
35T34.4Very low39.5Very low110 Ų110133.3 Ų133.368%0.67575%0.75SS**  trans-62.892.4175.7-57.50000111.2N33 T37N33-T35 PolarHBondContact O-N 3.19Å; T35-T37 HydrophobicContact CG2-CG2 4.45Å; T35-T37 PolarHBondContact O-N 3.22Å
36F37.6Very low39.5Very low171 Ų171137 Ų13775%0.7575%0.751SS**  trans-78.699.3171.2-126.4-86.9000109.9Q34Q34-F36 PolarHBondContact O-N 3.48Å
37T37.5Very low39.2Very low83 Ų83136.1 Ų136.151%0.50974%0.741SS.*  trans-66.4132.9173.650.20000110.4T35 F39T35-T37 HydrophobicContact CG2-CG2 4.45Å; T35-T37 PolarHBondContact O-N 3.22Å; T37-F39 PolarHBondContact O-N 3.04Å
38P46Very low38.8Very low118 Ų118133.3 Ų133.377%0.76674%0.74SS**  trans-7594.6168.330.3-31.1000108.3V40P38-V40 VanDerWaalsContact C-N 3.34Å; P38-V40 PolarHBondContact O-N 3.44Å
39F32.9Very low38.5Very low158 Ų158130.5 Ų130.569%0.69373%0.727SS**  trans-68.388.6178-117.7-72.1000111.2T37 N41T37-F39 PolarHBondContact O-N 3.04Å; F39-N41 VanDerWaalsContact C-N 3.35Å; F39-N41 HydrophobicContact CD1-CB 4.11Å; F39-N41 VanDerWaalsContact CD1-CG 3.47Å; F39-N41 WeakPolarHBondContact CD1-OD1 3.48Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.4Å; F39-N41 WeakPolarHBondContact CE1-OD1 3.25Å; F39-N41 PolarHBondContact O-N 3.45Å
40V39Very low38.8Very low136 Ų136135.3 Ų135.382%0.82474%0.742SS**  trans-78.685.7159.5-89.60000108.7P38P38-V40 VanDerWaalsContact C-N 3.34Å; P38-V40 PolarHBondContact O-N 3.44Å
41N36.2Very low38.7Very low102 Ų102136.9 Ų136.955%0.54574%0.744SS.*  trans-100.4117.5172.2-106.17.3000110.9F39 I43F39-N41 VanDerWaalsContact C-N 3.35Å; F39-N41 HydrophobicContact CD1-CB 4.11Å; F39-N41 VanDerWaalsContact CD1-CG 3.47Å; F39-N41 WeakPolarHBondContact CD1-OD1 3.48Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.4Å; F39-N41 WeakPolarHBondContact CE1-OD1 3.25Å; F39-N41 PolarHBondContact O-N 3.45Å; N41-I43 HydrophobicContact CB-CG1 4.35Å
42P40.5Very low38.6Very low123 Ų123136.2 Ų136.280%0.79974%0.742SS**  trans-81.5116.7160.632.1-27.6000108.7
43I34.8Very low38.6Very low129 Ų129132.8 Ų132.866%0.66274%0.736SS**  trans-117.593.5172.2-57.9-179.2000108.8N41 N45N41-I43 HydrophobicContact CB-CG1 4.35Å; I43-N45 HydrophobicContact CG2-CB 3.91Å
44M42.6Very low39Very low184 Ų184134.2 Ų134.291%0.90674%0.741SS**  trans-99.794.9149.7-84-75.7-179.600105.8L46M44-L46 PolarHBondContact O-N 2.87Å
45N34.4Very low39.1Very low144 Ų144132.3 Ų132.377%0.7774%0.743SS**  trans-85.5105.1178.7-16138.3000108.5I43I43-N45 HydrophobicContact CG2-CB 3.91Å
46L39.8Very low39.4Very low155 Ų155131.1 Ų131.181%0.81275%0.752SS**  trans-116.1131.8167.8-75.3174.7000109.2M44 P48M44-L46 PolarHBondContact O-N 2.87Å; L46-P48 WeakPolarHBondContact O-CD 3.44Å
47N35.1Very low39.4Very low129 Ų129126.5 Ų126.569%0.6975%0.753SS**  trans-58120.5-170-179.713.4000113.3S49N47-S49 PolarHBondContact O-N 2.73Å
48P34.1Very low39.8Very low118 Ų118128.1 Ų128.177%0.76677%0.765SS**  trans-90.281.7171.135.3-30.1000110.4L46L46-P48 WeakPolarHBondContact O-CD 3.44Å
49S37.6Very low39.7Very low79 Ų79129.5 Ų129.555%0.55277%0.772SS**  trans-157.7142.4168-76.40000107.7N47N47-S49 PolarHBondContact O-N 2.73Å
50L44.2Very low40Very low169 Ų169125.9 Ų125.989%0.88578%0.779SS**  trans72.9119.5-158.1-45.3173.9000110.2
51I41.8Very low40Very low165 Ų165123.1 Ų123.185%0.84678%0.778SS**  cis-142149.218.4-86.6128.1000111
52S42Very low40Very low103 Ų103124.9 Ų124.972%0.7280%0.795SS**  trans-84.2148.5178-58.20000114.2
53S41.7Very low40Very low108 Ų108122.1 Ų122.176%0.75579%0.788SS**  trans54.9106.7139.5-55.50000121.5
54I47.2Very low40.5Very low172 Ų172125.6 Ų125.688%0.88280%0.802SS**  trans-138.5124.6131-55.3-177.3000108.5
55P41Very low40.1Very low122 Ų122123.6 Ų123.679%0.79280%0.8SS**  trans-109.1154.2-179.938.2-31.7000114.9
56G40.7Very low40.5Very low85 Ų85121.8 Ų121.888%0.87680%0.798SS**  trans133.3135.8171.500000112
57G37.9Very low40.5Very low74 Ų74119.6 Ų119.676%0.76380%0.796SS**  cis-157176.6-2.500000110.7
58P46.4Very low40.6Very low117 Ų117121.4 Ų121.476%0.7681%0.805SS**  trans-108.6165.1-154.838.3-32.7000116
59T43.3Very low40.7Very low148 Ų148121.7 Ų121.791%0.90881%0.81SS**  151.8144.5127.545.30000113.1
60G38.7Very low40.9Very low81 Ų81121.9 Ų121.984%0.83582%0.816SS**  trans126.986.5154.200000119.5
61G38.9Very low40.9Very low78 Ų78119.3 Ų119.380%0.80481%0.808SS**  trans84.8119.9140.400000120
62P38.2Very low40.8Very low140 Ų140114.1 Ų114.191%0.90980%0.795SS**  trans-94146.1168.536.1-31000112.5
63G40.4Very low40.6Very low64 Ų64111.8 Ų111.866%0.6679%0.787SS**  trans133.893.2158.300000116.8
64Q43.6Very low40.9Very low202 Ų202112 Ų11294%0.94478%0.783SS**  -172.7132.4121.2-101.2155.4103.400111
65V35.3Very low40.8Very low143 Ų143110 Ų11087%0.86777%0.773SS**  trans-88.8123.7174.9-75.30000109.5
66S43.5Very low40.7Very low106 Ų106108 Ų10874%0.74176%0.763SS**  trans-161.9106.4165-82.80000112.3
67S38.2Very low40.5Very low109 Ų109108.3 Ų108.376%0.76275%0.751SS**  trans3590.3146.759.40000119.7S69S67-S69 PolarHBondContact O-N 3.28Å
68L38.3Very low41Very low167 Ų167111 Ų11187%0.87475%0.748SS**  trans-90.967160.4-81.1133.5000111.8A70L68-A70 VanDerWaalsContact C-N 3.34Å; L68-A70 PolarHBondContact O-N 3.26Å
69S36.4Very low41Very low124 Ų124107.3 Ų107.387%0.86773%0.727SS**  trans-83.275.7166.5-73.90000110.4S67S67-S69 PolarHBondContact O-N 3.28Å
70A40.2Very low41.3Very low83 Ų83104.8 Ų104.869%0.68671%0.708SS**  trans-141.57-176.200000115.8L68L68-A70 VanDerWaalsContact C-N 3.34Å; L68-A70 PolarHBondContact O-N 3.26Å
71T44.4Very low42.4Very low115 Ų115105.5 Ų105.571%0.70670%0.7SS**  trans-90.4-0.2-176.446.70000115G73T71-G73 PolarHBondContact O-N 3.08Å
72G39.8Very low44.3Very low56 Ų56106.7 Ų106.758%0.57768%0.68SS**THydrogen-bonded Turntrans-71.8-22.3-176.700000115.9
73G38.3Very low46.7Very low54 Ų54107.5 Ų107.556%0.55767%0.669SS**Hα-helixtrans-74.8-30.1-172.900000115.3T71T71-G73 PolarHBondContact O-N 3.08Å
74V47.6Very low49.3Very low111 Ų111107.3 Ų107.367%0.67366%0.657SS**Hα-helixtrans-80.2-22.4-169.8-63.90000114.1
75L46.4Very low51.9Low130 Ų13098.1 Ų98.168%0.68162%0.615SS**Hα-helixtrans-76.4-34.3179.1-64.6177000112.2S77 L78 A79L75-S77 PolarHBondContact O-N 3.25Å; L75-L78 PolarHBondContact O-N 3.02Å; L75-A79 PolarHBondContact O-N 2.96Å
76S37.3Very low54.9Low82 Ų8296.4 Ų96.457%0.57360%0.601SS**Hα-helixtrans-64.4-39.8179.3-56.80000112.5L78 A79 N80S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.91Å; S76-A79 PolarHBondContact O-N 2.94Å; S76-N80 PolarHBondContact O-N 2.93Å
77S38Very low57.5Low90 Ų9092.2 Ų92.263%0.62957%0.571SS**Hα-helixtrans-66.9-27.6177.5-67.20000113.5L75 N80L75-S77 PolarHBondContact O-N 3.25Å; S77-N80 PolarHBondContact O-N 3.2Å
78L48.6Very low60.3Low132 Ų13291 Ų9169%0.69156%0.56SS**Hα-helixtrans-73.8-32.1176.2-172.157.6000112.1L75 S76 N80 S81L75-L78 PolarHBondContact O-N 3.02Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.91Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.31Å; L78-S81 PolarHBondContact O-OG 3.38Å
79A45.9Very low63.1Low39 Ų3992 Ų9232%0.32256%0.557SS.*Hα-helixtrans-67.5-27.5171.500000112.9L75 S76L75-A79 PolarHBondContact O-N 2.96Å; S76-A79 PolarHBondContact O-N 2.94Å
80N48.5Very low66Low94 Ų9486.6 Ų86.650%0.50352%0.519SS..THydrogen-bonded Turntrans-93.26-171.4-127.143.9000115.4S76 S77 L78 R82S76-N80 PolarHBondContact O-N 2.93Å; S77-N80 PolarHBondContact O-N 3.2Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.31Å; N80-R82 PolarHBondContact O-N 3.5Å; N80-R82 VanDerWaalsContact O-N 3.08Å
81S61.6Low68.8Low97 Ų9786.1 Ų86.168%0.67850%0.502SS*.  trans-75.413.9178.663.90000114.8L78L78-S81 PolarHBondContact O-OG 3.38Å
82R79.6Confident71.3Confident102 Ų10280.6 Ų80.639%0.38547%0.468SS..SBendtrans-107147.9-175.3-71.1-176.6-83.5-148.92.6111.1N80 Q104N80-R82 PolarHBondContact O-N 3.5Å; N80-R82 VanDerWaalsContact O-N 3.08Å; R82-Q104 VanDerWaalsContact NH1-CG 3.34Å
83K88.6Confident74.1Confident157 Ų15779 Ų7968%0.68345%0.447SS*.PPolyproline II helixtrans-66.4134.3175.5-66.5178.4-179.5174.90109.7
84P95.7Very high76.9Confident60 Ų6081.4 Ų81.439%0.3944%0.442SS..PPolyproline II helixtrans-66.2137.5172.427.8-33.8000110N86 N108P84-N86 PolarHBondContact O-ND2 3.31Å; P84-N108 WeakPolarHBondContact CB-O 3.36Å
85C97.8Very high79.2Confident9 Ų980 Ų806%0.06143%0.43CS..PPolyproline II helixtrans-81.3148.7176.275.10000111.5C97 C109 N110 C111C85-C97 VanDerWaalsContact SG-SG 3.7Å; C85-C109 PolarHBondContact N-SG 2.93Å; C85-N110 CarbonylContact O-C 3.5Å; C85-N110 WeakPolarHBondContact O-CA 3.5Å; C85-N110 PolarHBondContact O-N 3.29Å; C85-C111 PolarHBondContact O-N 2.99Å
86N97.9Very high81.6Confident108 Ų10883.4 Ų83.458%0.57844%0.435SS*.  trans-115.639.8-178-54.6-86.2000110.6P84 N110P84-N86 PolarHBondContact O-ND2 3.31Å; N86-N110 VanDerWaalsContact OD1-CB 3.26Å; N86-N110 WeakPolarHBondContact OD1-CB 3.45Å; N86-N110 PolarHBondContact OD1-ND2 3.49Å
87C98.4Very high84.5Confident18 Ų1879.5 Ų79.512%0.12241%0.408CS..  trans-74.1132.5-171.2-66.90000112.5S90 C97 C111 N112C87-S90 WeakPolarHBondContact CB-OG 3.4Å; C87-C97 VanDerWaalsContact SG-CB 3.56Å; C87-C111 HydrophobicContact CB-CB 3.99Å; C87-C111 CarbonylContact O-C 3.58Å; C87-C111 VanDerWaalsContact O-CA 3.28Å; C87-C111 WeakPolarHBondContact O-CA 3.33Å; C87-N112 PolarHBondContact O-N 3.32Å
88T97.5Very high87.2Confident84 Ų8480.1 Ų80.152%0.51540%0.401SS..SBendtrans-115.3-40.6178.754.10000113.8
89K97.3Very high89.5Confident187 Ų18774.6 Ų74.681%0.81337%0.373SS*.SBendtrans-105.2-0.9-173.1-58.8-176.2-178.8-175.80115.3
90S97Very high91.9Very high10 Ų1072.8 Ų72.87%0.0736%0.358CS..SBendtrans-102.9-10.6-173.166.10000114.6C87 C92 L93C87-S90 WeakPolarHBondContact CB-OG 3.4Å; S90-C92 PolarHBondContact O-N 2.86Å; S90-C92 PolarHBondContact OG-N 3.23Å; S90-L93 PolarHBondContact O-N 3.18Å
91H97.9Very high94.1Very high73 Ų7369.6 Ų69.634%0.33835%0.345SS..THydrogen-bonded Turntrans50.117.8-164.3-59.5-71.4000113.9L93 N113 M115H91-L93 PolarHBondContact O-N 3.07Å; H91-N113 WeakPolarHBondContact CA-O 3.22Å; H91-N113 WeakPolarHBondContact ND1-CB 3.38Å; H91-N113 PolarHBondContact ND1-O 3.41Å; H91-M115 HydrophobicContact CB-CB 4.37Å; H91-M115 HydrophobicContact CB-CG 4.18Å; H91-M115 HydrophobicContact CB-SD 3.89Å; H91-M115 PolarHBondContact O-N 2.87Å
92C98.5Very high95.6Very high0 Ų069.4 Ų69.40%033%0.333CS..THydrogen-bonded Turntrans58.417.6-167-56.20000114.9S90 C97 F100 C106 C111 N116S90-C92 PolarHBondContact O-N 2.86Å; S90-C92 PolarHBondContact OG-N 3.23Å; C92-C97 HydrophobicContact CB-CB 4.26Å; C92-F100 WeakPolarHBondContact O-CB 3.48Å; C92-F100 VanDerWaalsContact O-CD2 3.23Å; C92-F100 WeakPolarHBondContact O-CD2 3.31Å; C92-F100 VanDerWaalsContact O-CG 3.29Å; C92-F100 WeakPolarHBondContact O-CG 3.33Å; C92-C106 VanDerWaalsContact SG-SG 3.7Å; C92-C111 VanDerWaalsContact SG-CB 3.5Å; C92-C111 VanDerWaalsContact SG-SG 3.7Å; C92-N116 HydrophobicContact CB-CB 3.44Å; C92-N116 VanDerWaalsContact CB-CB 3.44Å; C92-N116 WeakPolarHBondContact O-CB 3.37Å
93L97.8Very high96.3Very high23 Ų2364.7 Ų64.712%0.1232%0.316CS..  trans-103.622-179.3-65.2-172.5000114S90 H91 F100 M115 N116 E123 R124 A127S90-L93 PolarHBondContact O-N 3.18Å; H91-L93 PolarHBondContact O-N 3.07Å; L93-F100 HydrophobicContact CD2-CD2 4.45Å; L93-F100 HydrophobicContact CD2-CE2 4.22Å; L93-M115 HydrophobicContact CD1-CB 3.66Å; L93-M115 HydrophobicContact CD1-CG 4.5Å; L93-M115 HydrophobicContact CD1-SD 4.06Å; L93-M115 HydrophobicContact CD2-CB 4.21Å; L93-M115 HydrophobicContact CG-CB 3.86Å; L93-N116 HydrophobicContact CD2-CB 4.39Å; L93-E123 HydrophobicContact CD1-CB 3.8Å; L93-R124 HydrophobicContact CD2-CB 4.02Å; L93-R124 HydrophobicContact CD2-CG 4.22Å; L93-A127 HydrophobicContact CB-CB 3.79Å; L93-A127 HydrophobicContact CD1-CB 4.28Å; L93-A127 HydrophobicContact CD2-CB 4.19Å; L93-A127 HydrophobicContact CG-CB 4.31Å
94K97.8Very high96.6Very high104 Ų10459.3 Ų59.345%0.45229%0.293SS..SBendtrans-139.4150.7-180-60.1176.6-176.4169.90109.1Y96 C97 F100K94-Y96 HydrophobicContact CB-CD2 3.74Å; K94-Y96 HydrophobicContact CB-CE2 4.37Å; K94-Y96 HydrophobicContact CD-CD2 4.22Å; K94-Y96 HydrophobicContact CD-CE2 4.32Å; K94-Y96 PolarHBondContact O-N 3.25Å; K94-C97 WeakPolarHBondContact O-CB 3.38Å; K94-C97 PolarHBondContact O-N 3.05Å; K94-F100 VanDerWaalsContact C-CD1 3.49Å
95L96Very high96.6Very high80 Ų8057.4 Ų57.442%0.41928%0.28SS..THydrogen-bonded Turntrans-60.2-6.4-179.6-62.2176.6000115.1C97 F100 A101 T131 A138 F139L95-C97 PolarHBondContact O-N 2.74Å; L95-F100 HydrophobicContact CD2-CD1 4.14Å; L95-F100 HydrophobicContact CD2-CE1 4.28Å; L95-A101 HydrophobicContact CD2-CB 4.06Å; L95-T131 HydrophobicContact CD1-CG2 3.85Å; L95-T131 HydrophobicContact CD2-CG2 3.98Å; L95-T131 HydrophobicContact CG-CG2 3.88Å; L95-A138 HydrophobicContact CD1-CB 4.21Å; L95-F139 HydrophobicContact CD2-CD1 4.3Å; L95-F139 HydrophobicContact CD2-CE1 3.8Å; L95-F139 HydrophobicContact CD2-CZ 4.35Å
96Y95.8Very high96.6Very high203 Ų20357.9 Ų57.980%0.79628%0.283SS*.THydrogen-bonded Turntrans-65.7-21.8166.3-55.1-69.7000113.1K94K94-Y96 HydrophobicContact CB-CD2 3.74Å; K94-Y96 HydrophobicContact CB-CE2 4.37Å; K94-Y96 HydrophobicContact CD-CD2 4.22Å; K94-Y96 HydrophobicContact CD-CE2 4.32Å; K94-Y96 PolarHBondContact O-N 3.25Å
97C98.1Very high96.5Very high0 Ų057.2 Ų57.20%028%0.276CS..SBendtrans-88.2120.3171.81760000109.5C85 C87 C92 K94 L95 C99 F100 A101C85-C97 VanDerWaalsContact SG-SG 3.7Å; C87-C97 VanDerWaalsContact SG-CB 3.56Å; C92-C97 HydrophobicContact CB-CB 4.26Å; K94-C97 WeakPolarHBondContact O-CB 3.38Å; K94-C97 PolarHBondContact O-N 3.05Å; L95-C97 PolarHBondContact O-N 2.74Å; C97-C99 VanDerWaalsContact C-N 3.31Å; C97-C99 PolarHBondContact O-N 3.08Å; C97-F100 HydrophobicContact CB-CB 3.99Å; C97-F100 PolarHBondContact O-N 3.25Å; C97-A101 WeakPolarHBondContact O-CB 3.35Å; C97-A101 PolarHBondContact O-N 3.4Å
98E94.2Very high96.3Very high103 Ų10362.8 Ų62.848%0.48131%0.305SS..Hα-helixtrans-58.1-40178.6-68.5178.5-151.200112.7F100 A101 Q102E98-F100 PolarHBondContact O-N 3Å; E98-A101 PolarHBondContact O-N 2.87Å; E98-Q102 VanDerWaalsContact O-CG 3.29Å; E98-Q102 WeakPolarHBondContact O-CG 3.49Å; E98-Q102 PolarHBondContact O-N 3.39Å
99C96.8Very high96.3Very high15 Ų1560.2 Ų60.210%0.10129%0.29CS..Hα-helixtrans-60.7-47.7178-53.80000111.2C97 Q102 G103 Q104C97-C99 VanDerWaalsContact C-N 3.31Å; C97-C99 PolarHBondContact O-N 3.08Å; C99-Q102 PolarHBondContact O-N 3.46Å; C99-G103 PolarHBondContact O-N 2.97Å; C99-Q104 WeakPolarHBondContact O-CB 3.32Å; C99-Q104 PolarHBondContact O-N 2.92Å
100F96.9Very high96.3Very high1 Ų156.1 Ų56.10%0.00428%0.277CS..Hα-helixtrans-67.4-41.2177.3-174.5-95.7000112C92 L93 K94 L95 C97 E98 Q102 G103 A127 I128 F139C92-F100 WeakPolarHBondContact O-CB 3.48Å; C92-F100 VanDerWaalsContact O-CD2 3.23Å; C92-F100 WeakPolarHBondContact O-CD2 3.31Å; C92-F100 VanDerWaalsContact O-CG 3.29Å; C92-F100 WeakPolarHBondContact O-CG 3.33Å; L93-F100 HydrophobicContact CD2-CD2 4.45Å; L93-F100 HydrophobicContact CD2-CE2 4.22Å; K94-F100 VanDerWaalsContact C-CD1 3.49Å; L95-F100 HydrophobicContact CD2-CD1 4.14Å; L95-F100 HydrophobicContact CD2-CE1 4.28Å; C97-F100 HydrophobicContact CB-CB 3.99Å; C97-F100 PolarHBondContact O-N 3.25Å; E98-F100 PolarHBondContact O-N 3Å; F100-Q102 PolarHBondContact O-N 2.96Å; F100-G103 WeakPolarHBondContact O-CA 3.41Å; F100-G103 PolarHBondContact O-N 3.19Å; F100-A127 HydrophobicContact CE2-CB 4.26Å; F100-A127 HydrophobicContact CZ-CB 4.02Å; F100-I128 HydrophobicContact CE2-CG1 3.87Å; F100-I128 HydrophobicContact CZ-CG1 3.99Å; F100-F139 HydrophobicContact CD1-CE1 4.09Å; F100-F139 HydrophobicContact CD1-CZ 4.44Å; F100-F139 AromaticContact CE1-CE1 3.85Å; F100-F139 HydrophobicContact CE1-CE1 3.85Å; F100-F139 AromaticContact CE1-CZ 3.74Å; F100-F139 HydrophobicContact CE1-CZ 3.74Å; F100-F139 HydrophobicContact CZ-CE1 4.29Å; F100-F139 AromaticContact CZ-CZ 3.92Å; F100-F139 HydrophobicContact CZ-CZ 3.92Å; F100-F139 VanDerWaalsContact O-CE1 3.23Å; F100-F139 WeakPolarHBondContact O-CE1 3.42Å
101A95.2Very high96.4Very high28 Ų2856.7 Ų56.723%0.23128%0.281CS..Hα-helixtrans-61.9-29.8176.900000113L95 C97 E98 G103L95-A101 HydrophobicContact CD2-CB 4.06Å; C97-A101 WeakPolarHBondContact O-CB 3.35Å; C97-A101 PolarHBondContact O-N 3.4Å; E98-A101 PolarHBondContact O-N 2.87Å; A101-G103 PolarHBondContact O-N 2.93Å
102Q93Very high96.4Very high92 Ų9257.6 Ų57.643%0.4329%0.288SS..THydrogen-bonded Turntrans-81.51.8170.9-65.6173.630.900113.4E98 C99 F100 Q104E98-Q102 VanDerWaalsContact O-CG 3.29Å; E98-Q102 WeakPolarHBondContact O-CG 3.49Å; E98-Q102 PolarHBondContact O-N 3.39Å; C99-Q102 PolarHBondContact O-N 3.46Å; F100-Q102 PolarHBondContact O-N 2.96Å; Q102-Q104 VanDerWaalsContact C-N 3.25Å; Q102-Q104 HydrophobicContact CB-CG 3.84Å; Q102-Q104 PolarHBondContact O-N 3.49Å
103G94.1Very high96.3Very high3 Ų363.5 Ų63.53%0.03132%0.32CS..THydrogen-bonded Turntrans70.116.8-177.300000114.5T7 A8 C99 F100 A101 R124T7-G103 WeakPolarHBondContact CA-O 3.46Å; A8-G103 PolarHBondContact N-O 2.82Å; A8-G103 VanDerWaalsContact N-O 3.12Å; C99-G103 PolarHBondContact O-N 2.97Å; F100-G103 WeakPolarHBondContact O-CA 3.41Å; F100-G103 PolarHBondContact O-N 3.19Å; A101-G103 PolarHBondContact O-N 2.93Å; G103-R124 PolarHBondContact O-NH2 2.78Å
104Q94.5Very high96.3Very high44 Ų4463.6 Ų63.621%0.20632%0.322CS..PPolyproline II helixtrans-100.1164.7-174.8-54.3-70.6-87.500111.4N6 R82 C99 Q102 N116N6-Q104 PolarHBondContact O-NE2 3.04Å; R82-Q104 VanDerWaalsContact NH1-CG 3.34Å; C99-Q104 WeakPolarHBondContact O-CB 3.32Å; C99-Q104 PolarHBondContact O-N 2.92Å; Q102-Q104 VanDerWaalsContact C-N 3.25Å; Q102-Q104 HydrophobicContact CB-CG 3.84Å; Q102-Q104 PolarHBondContact O-N 3.49Å; Q104-N116 PolarHBondContact O-ND2 3.37Å; Q104-N116 PolarHBondContact O-OD1 3.13Å
105L96.6Very high96.3Very high20 Ų2061.1 Ų61.111%0.10531%0.313CS..PPolyproline II helixtrans-78.3154.4166.4-56175000110.3L118 R124L105-L118 HydrophobicContact CD1-CD2 3.7Å; L105-L118 HydrophobicContact CD1-CG 3.81Å; L105-R124 VanDerWaalsContact CD2-NE 3.34Å
106C97.3Very high96.4Very high19 Ų1957.3 Ų57.313%0.12829%0.293CS..PPolyproline II helixtrans-73.5126.8167.5-67.20000109.3C92 C109 N116C92-C106 VanDerWaalsContact SG-SG 3.7Å; C106-C109 HydrophobicContact CB-CB 4.27Å; C106-N116 PolarHBondContact N-ND2 2.92Å; C106-N116 PolarHBondContact N-O 2.95Å; C106-N116 PolarHBondContact SG-ND2 2.82Å; C106-N116 VanDerWaalsContact SG-ND2 3.42Å
107Q95.2Very high96.4Very high94 Ų9449.7 Ų49.744%0.43927%0.266SS..  trans-129.9130.7176.6-67176.6-12.700107.4C109Q107-C109 PolarHBondContact O-N 3.24Å; Q107-C109 VanDerWaalsContact O-N 3.1Å; Q107-C109 PolarHBondContact O-SG 3.2Å
108N95.2Very high96.2Very high136 Ų13654.6 Ų54.673%0.72729%0.291SS*.SBendtrans46.543.3179.9-58.786.6000114P84P84-N108 WeakPolarHBondContact CB-O 3.36Å
109C97.5Very high96.3Very high30 Ų3053.9 Ų53.920%0.20330%0.303CS..  trans-101.4158.5-177.2-70.70000112.7C85 C106 Q107 C111C85-C109 PolarHBondContact N-SG 2.93Å; C106-C109 HydrophobicContact CB-CB 4.27Å; Q107-C109 PolarHBondContact O-N 3.24Å; Q107-C109 VanDerWaalsContact O-N 3.1Å; Q107-C109 PolarHBondContact O-SG 3.2Å; C109-C111 VanDerWaalsContact C-N 3.3Å; C109-C111 VanDerWaalsContact CB-SG 3.58Å; C109-C111 PolarHBondContact O-N 3.17Å
110N97.5Very high96.2Very high100 Ų10058.2 Ų58.254%0.53532%0.318SS..  trans-9531.1-179.9-52.9-20.3000111.8C85 N86C85-N110 CarbonylContact O-C 3.5Å; C85-N110 WeakPolarHBondContact O-CA 3.5Å; C85-N110 PolarHBondContact O-N 3.29Å; N86-N110 VanDerWaalsContact OD1-CB 3.26Å; N86-N110 WeakPolarHBondContact OD1-CB 3.45Å; N86-N110 PolarHBondContact OD1-ND2 3.49Å
111C98.2Very high96.2Very high22 Ų2262 Ų6215%0.14934%0.336CS..  trans-96.2132.5-171.852.70000112.4C85 C87 C92 C109 C114C85-C111 PolarHBondContact O-N 2.99Å; C87-C111 HydrophobicContact CB-CB 3.99Å; C87-C111 CarbonylContact O-C 3.58Å; C87-C111 VanDerWaalsContact O-CA 3.28Å; C87-C111 WeakPolarHBondContact O-CA 3.33Å; C92-C111 VanDerWaalsContact SG-CB 3.5Å; C92-C111 VanDerWaalsContact SG-SG 3.7Å; C109-C111 VanDerWaalsContact C-N 3.3Å; C109-C111 VanDerWaalsContact CB-SG 3.58Å; C109-C111 PolarHBondContact O-N 3.17Å; C111-C114 VanDerWaalsContact SG-CB 3.59Å
112N97.8Very high96.2Very high93 Ų9367.7 Ų67.750%0.49736%0.357SS..THydrogen-bonded Turntrans-83.9146178.8-64.3-21.9000111.2C87 C114C87-N112 PolarHBondContact O-N 3.32Å; N112-C114 PolarHBondContact O-N 2.75Å; N112-C114 VanDerWaalsContact O-N 3.16Å
113N96.9Very high96.3Very high124 Ų12466.3 Ų66.366%0.66335%0.351SS*.THydrogen-bonded Turntrans45.945.6179-58.481.2000113.1H91 M115H91-N113 WeakPolarHBondContact CA-O 3.22Å; H91-N113 WeakPolarHBondContact ND1-CB 3.38Å; H91-N113 PolarHBondContact ND1-O 3.41Å; N113-M115 PolarHBondContact O-N 3.38Å
114C98.3Very high96.5Very high24 Ų2466.2 Ų66.216%0.16235%0.35CS..  trans-71.5123.5-174.9-179.40000112.4C111 N112 N116 N117C111-C114 VanDerWaalsContact SG-CB 3.59Å; N112-C114 PolarHBondContact O-N 2.75Å; N112-C114 VanDerWaalsContact O-N 3.16Å; C114-N116 PolarHBondContact SG-N 3.33Å; C114-N117 PolarHBondContact O-ND2 3Å
115M98Very high96.6Very high53 Ų5364.8 Ų64.826%0.26135%0.347SS..  trans-108.63.5172.9-63.3169.7177.800112.5H91 L93 N113 N117 Y120 E123H91-M115 HydrophobicContact CB-CB 4.37Å; H91-M115 HydrophobicContact CB-CG 4.18Å; H91-M115 HydrophobicContact CB-SD 3.89Å; H91-M115 PolarHBondContact O-N 2.87Å; L93-M115 HydrophobicContact CD1-CB 3.66Å; L93-M115 HydrophobicContact CD1-CG 4.5Å; L93-M115 HydrophobicContact CD1-SD 4.06Å; L93-M115 HydrophobicContact CD2-CB 4.21Å; L93-M115 HydrophobicContact CG-CB 3.86Å; N113-M115 PolarHBondContact O-N 3.38Å; M115-N117 VanDerWaalsContact C-N 3.26Å; M115-N117 PolarHBondContact O-N 2.71Å; M115-N117 VanDerWaalsContact O-N 3.15Å; M115-Y120 HydrophobicContact CB-CD2 4.26Å; M115-Y120 HydrophobicContact CB-CG 4.02Å; M115-Y120 HydrophobicContact CG-CD1 4.14Å; M115-Y120 HydrophobicContact CG-CD2 4.14Å; M115-Y120 HydrophobicContact CG-CG 3.93Å; M115-E123 HydrophobicContact SD-CG 4.39Å
116N97.5Very high96.6Very high0 Ų070.7 Ų70.70%037%0.367CS..SBendtrans-88.459.6173.9-172.836.6000112C92 L93 Q104 C106 C114 R124C92-N116 HydrophobicContact CB-CB 3.44Å; C92-N116 VanDerWaalsContact CB-CB 3.44Å; C92-N116 WeakPolarHBondContact O-CB 3.37Å; L93-N116 HydrophobicContact CD2-CB 4.39Å; Q104-N116 PolarHBondContact O-ND2 3.37Å; Q104-N116 PolarHBondContact O-OD1 3.13Å; C106-N116 PolarHBondContact N-ND2 2.92Å; C106-N116 PolarHBondContact N-O 2.95Å; C106-N116 PolarHBondContact SG-ND2 2.82Å; C106-N116 VanDerWaalsContact SG-ND2 3.42Å; C114-N116 PolarHBondContact SG-N 3.33Å; N116-R124 WeakPolarHBondContact OD1-CD 3.38Å; N116-R124 PolarHBondContact OD1-NE 3.49Å
117N95.9Very high96.7Very high42 Ų4270.1 Ų70.123%0.22536%0.364CS..SBendtrans-143.7-177.3177.65853.6000109C114 M115 A119 Y120C114-N117 PolarHBondContact O-ND2 3Å; M115-N117 VanDerWaalsContact C-N 3.26Å; M115-N117 PolarHBondContact O-N 2.71Å; M115-N117 VanDerWaalsContact O-N 3.15Å; N117-A119 VanDerWaalsContact C-N 3.34Å; N117-A119 WeakPolarHBondContact OD1-CB 3.34Å; N117-A119 PolarHBondContact OD1-N 3.49Å; N117-Y120 WeakPolarHBondContact OD1-CD2 3.45Å; N117-Y120 PolarHBondContact OD1-N 2.86Å
118L94.5Very high96.7Very high103 Ų10365.7 Ų65.754%0.53934%0.344SS..SBendtrans-76-17.1-178.6-63.4178.2000114.1T5 L105T5-L118 WeakPolarHBondContact OG1-CD2 3.34Å; L105-L118 HydrophobicContact CD1-CD2 3.7Å; L105-L118 HydrophobicContact CD1-CG 3.81Å
119A95.4Very high96.8Very high88 Ų8865.3 Ų65.373%0.72734%0.335SS*.THydrogen-bonded Turntrans-77.2-23.4-178.300000113.1N117N117-A119 VanDerWaalsContact C-N 3.34Å; N117-A119 WeakPolarHBondContact OD1-CB 3.34Å; N117-A119 PolarHBondContact OD1-N 3.49Å
120Y95.7Very high96.7Very high107 Ų10768.3 Ų68.342%0.4235%0.348SS..THydrogen-bonded Turntrans-116.445.6179.1-62-83.8000111M115 N117 E122 E123 R124M115-Y120 HydrophobicContact CB-CD2 4.26Å; M115-Y120 HydrophobicContact CB-CG 4.02Å; M115-Y120 HydrophobicContact CG-CD1 4.14Å; M115-Y120 HydrophobicContact CG-CD2 4.14Å; M115-Y120 HydrophobicContact CG-CG 3.93Å; N117-Y120 WeakPolarHBondContact OD1-CD2 3.45Å; N117-Y120 PolarHBondContact OD1-N 2.86Å; Y120-E122 VanDerWaalsContact C-N 3.28Å; Y120-E122 PolarHBondContact O-N 3.44Å; Y120-E123 PolarHBondContact O-N 3.22Å; Y120-R124 VanDerWaalsContact O-CB 3.24Å; Y120-R124 WeakPolarHBondContact O-CB 3.47Å; Y120-R124 PolarHBondContact O-N 3.09Å
121E95.1Very high96.7Very high80 Ų8063.8 Ų63.837%0.37432%0.323SS..Hα-helixtrans-61.6-34.6-175.7-172.5174171.700112.5T5 R124 G125T5-E121 WeakPolarHBondContact CG2-OE1 3.3Å; E121-R124 PolarHBondContact O-N 3.32Å; E121-G125 PolarHBondContact O-N 3.33Å
122E95.2Very high96.6Very high147 Ų14764 Ų6469%0.68732%0.323SS*.Hα-helixtrans-70.4-44.1-179.7-63.5-169.6-177.300113Y120 R124 R126Y120-E122 VanDerWaalsContact C-N 3.28Å; Y120-E122 PolarHBondContact O-N 3.44Å; E122-R124 VanDerWaalsContact C-N 3.32Å; E122-R126 WeakPolarHBondContact O-CB 3.4Å; E122-R126 WeakPolarHBondContact O-CG 3.47Å; E122-R126 PolarHBondContact O-N 2.95Å; E122-R126 PolarHBondContact O-NE 3.03Å; E122-R126 VanDerWaalsContact O-NE 3.11Å
123E97.1Very high96.5Very high63 Ų6365.6 Ų65.629%0.29433%0.328SS..Hα-helixtrans-60.6-44.7171.5-71.263-142.100110.2L93 M115 Y120 R126 A127L93-E123 HydrophobicContact CD1-CB 3.8Å; M115-E123 HydrophobicContact SD-CG 4.39Å; Y120-E123 PolarHBondContact O-N 3.22Å; E123-R126 PolarHBondContact O-N 3.42Å; E123-R126 IonicContact OE1-CZ 3.97Å; E123-R126 IonicContact OE1-NH2 2.59Å; E123-R126 PolarHBondContact OE1-NH2 2.87Å; E123-R126 IonicContact OE2-NH2 3.23Å; E123-A127 WeakPolarHBondContact O-CB 3.5Å; E123-A127 PolarHBondContact O-N 2.59Å
124R97.6Very high96.5Very high2 Ų268 Ų681%0.00833%0.327CS..Hα-helixtrans-63.5-44.6179.1-176.2179177.8-103.43.9112T5 L93 G103 L105 N116 Y120 E121 E122 A127 I128T5-R124 PolarHBondContact O-NH1 3.43Å; T5-R124 PolarHBondContact O-NH2 2.9Å; L93-R124 HydrophobicContact CD2-CB 4.02Å; L93-R124 HydrophobicContact CD2-CG 4.22Å; G103-R124 PolarHBondContact O-NH2 2.78Å; L105-R124 VanDerWaalsContact CD2-NE 3.34Å; N116-R124 WeakPolarHBondContact OD1-CD 3.38Å; N116-R124 PolarHBondContact OD1-NE 3.49Å; Y120-R124 VanDerWaalsContact O-CB 3.24Å; Y120-R124 WeakPolarHBondContact O-CB 3.47Å; Y120-R124 PolarHBondContact O-N 3.09Å; E121-R124 PolarHBondContact O-N 3.32Å; E122-R124 VanDerWaalsContact C-N 3.32Å; R124-A127 PolarHBondContact O-N 3.21Å; R124-I128 HydrophobicContact CG-CD1 3.95Å; R124-I128 VanDerWaalsContact O-CG1 3.3Å; R124-I128 WeakPolarHBondContact O-CG1 3.31Å; R124-I128 PolarHBondContact O-N 3.06Å
125G96.7Very high96.2Very high13 Ų1369.8 Ų69.813%0.13434%0.335CS..Hα-helixtrans-61.8-45.5176.800000112E121 A127 I128 K129E121-G125 PolarHBondContact O-N 3.33Å; G125-A127 PolarHBondContact O-N 2.9Å; G125-I128 PolarHBondContact O-N 3.5Å; G125-K129 WeakPolarHBondContact O-CB 3.23Å; G125-K129 PolarHBondContact O-N 3.42Å
126R97.1Very high95.9Very high144 Ų14471.7 Ų71.754%0.54335%0.352SS..Hα-helixtrans-58.2-45.3172.5-78177.7-78.5161.1-8.6112E122 E123 K129 M130E122-R126 WeakPolarHBondContact O-CB 3.4Å; E122-R126 WeakPolarHBondContact O-CG 3.47Å; E122-R126 PolarHBondContact O-N 2.95Å; E122-R126 PolarHBondContact O-NE 3.03Å; E122-R126 VanDerWaalsContact O-NE 3.11Å; E123-R126 PolarHBondContact O-N 3.42Å; E123-R126 IonicContact OE1-CZ 3.97Å; E123-R126 IonicContact OE1-NH2 2.59Å; E123-R126 PolarHBondContact OE1-NH2 2.87Å; E123-R126 IonicContact OE2-NH2 3.23Å; R126-K129 PolarHBondContact O-N 3.22Å; R126-M130 WeakPolarHBondContact O-CB 3.38Å; R126-M130 PolarHBondContact O-N 2.89Å
127A97.6Very high95.6Very high8 Ų875.6 Ų75.67%0.06638%0.376CS..Hα-helixtrans-65.6-38.4178.800000113.4L93 F100 E123 R124 G125 T131L93-A127 HydrophobicContact CB-CB 3.79Å; L93-A127 HydrophobicContact CD1-CB 4.28Å; L93-A127 HydrophobicContact CD2-CB 4.19Å; L93-A127 HydrophobicContact CG-CB 4.31Å; F100-A127 HydrophobicContact CE2-CB 4.26Å; F100-A127 HydrophobicContact CZ-CB 4.02Å; E123-A127 WeakPolarHBondContact O-CB 3.5Å; E123-A127 PolarHBondContact O-N 2.59Å; R124-A127 PolarHBondContact O-N 3.21Å; G125-A127 PolarHBondContact O-N 2.9Å; A127-T131 VanDerWaalsContact O-CB 3.28Å; A127-T131 WeakPolarHBondContact O-CB 3.34Å; A127-T131 PolarHBondContact O-N 2.95Å; A127-T131 VanDerWaalsContact O-N 3.1Å; A127-T131 PolarHBondContact O-OG1 3.33Å
128I96.9Very high95.4Very high0 Ų074.3 Ų74.30%037%0.371CS..Hα-helixtrans-64-49174-70.8165.9000110A8 Y11 F100 R124 G125 T131 L132 F139A8-I128 HydrophobicContact CB-CD1 4.02Å; A8-I128 HydrophobicContact CB-CG1 4.25Å; A8-I128 HydrophobicContact CB-CG2 4.14Å; Y11-I128 HydrophobicContact CD1-CG2 4.5Å; Y11-I128 HydrophobicContact CD2-CD1 3.91Å; Y11-I128 HydrophobicContact CD2-CG2 3.95Å; Y11-I128 HydrophobicContact CE2-CD1 3.72Å; Y11-I128 HydrophobicContact CG-CG2 3.81Å; F100-I128 HydrophobicContact CE2-CG1 3.87Å; F100-I128 HydrophobicContact CZ-CG1 3.99Å; R124-I128 HydrophobicContact CG-CD1 3.95Å; R124-I128 VanDerWaalsContact O-CG1 3.3Å; R124-I128 WeakPolarHBondContact O-CG1 3.31Å; R124-I128 PolarHBondContact O-N 3.06Å; G125-I128 PolarHBondContact O-N 3.5Å; I128-T131 WeakPolarHBondContact O-CB 3.41Å; I128-T131 PolarHBondContact O-N 3.41Å; I128-T131 VanDerWaalsContact O-N 3.1Å; I128-L132 HydrophobicContact CG2-CD1 3.94Å; I128-L132 PolarHBondContact O-N 3.33Å; I128-F139 HydrophobicContact CB-CE2 4.48Å; I128-F139 HydrophobicContact CG1-CZ 4.24Å; I128-F139 HydrophobicContact CG2-CE2 3.94Å; I128-F139 HydrophobicContact CG2-CZ 4.41Å
129K96.3Very high95.4Very high128 Ų12870.6 Ų70.656%0.55735%0.35SS*.Hα-helixtrans-57.7-53.6178.8-166.7-173.8-174.6-106.60111.8G125 R126 T131 L132 E133G125-K129 WeakPolarHBondContact O-CB 3.23Å; G125-K129 PolarHBondContact O-N 3.42Å; R126-K129 PolarHBondContact O-N 3.22Å; K129-T131 PolarHBondContact O-N 3.32Å; K129-T131 VanDerWaalsContact O-N 3.13Å; K129-L132 PolarHBondContact O-N 2.95Å; K129-L132 VanDerWaalsContact O-N 3.09Å; K129-E133 VanDerWaalsContact CE-OE1 3.31Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 HydrophobicContact CG-CG 4.47Å; K129-E133 WeakPolarHBondContact CG-OE1 3.47Å; K129-E133 IonicContact NZ-OE1 2.73Å; K129-E133 PolarHBondContact NZ-OE1 3.33Å; K129-E133 WeakPolarHBondContact O-CG 3.49Å; K129-E133 PolarHBondContact O-N 2.63Å
130M96.6Very high95.1Very high94 Ų9472.1 Ų72.146%0.46334%0.342SS..Hα-helixtrans-61.3-23177.2-175.9-175.960.800113.1R126 R134R126-M130 WeakPolarHBondContact O-CB 3.38Å; R126-M130 PolarHBondContact O-N 2.89Å; M130-R134 WeakPolarHBondContact O-CG 3.24Å; M130-R134 PolarHBondContact O-NE 3.21Å
131T96.9Very high94.7Very high4 Ų471 Ų713%0.02535%0.349CS..Hα-helixtrans-80.2-41.1175.2-62.20000111.6L95 A127 I128 K129 R134 N135 A138 F139L95-T131 HydrophobicContact CD1-CG2 3.85Å; L95-T131 HydrophobicContact CD2-CG2 3.98Å; L95-T131 HydrophobicContact CG-CG2 3.88Å; A127-T131 VanDerWaalsContact O-CB 3.28Å; A127-T131 WeakPolarHBondContact O-CB 3.34Å; A127-T131 PolarHBondContact O-N 2.95Å; A127-T131 VanDerWaalsContact O-N 3.1Å; A127-T131 PolarHBondContact O-OG1 3.33Å; I128-T131 WeakPolarHBondContact O-CB 3.41Å; I128-T131 PolarHBondContact O-N 3.41Å; I128-T131 VanDerWaalsContact O-N 3.1Å; K129-T131 PolarHBondContact O-N 3.32Å; K129-T131 VanDerWaalsContact O-N 3.13Å; T131-R134 PolarHBondContact O-N 3.45Å; T131-N135 PolarHBondContact O-N 3.45Å; T131-A138 HydrophobicContact CG2-CB 3.63Å; T131-F139 HydrophobicContact CG2-CE1 4.47Å; T131-F139 HydrophobicContact CG2-CE2 3.83Å; T131-F139 HydrophobicContact CG2-CZ 3.67Å
132L95.6Very high94.5Very high28 Ų2872.9 Ų72.915%0.14736%0.355CS..Hα-helixtrans-67.6-39.4174.2-73.4165.9000112.7V12 I128 K129 R134 N135 P136 F139V12-L132 HydrophobicContact CG2-CD1 3.73Å; V12-L132 HydrophobicContact CG2-CD2 3.98Å; I128-L132 HydrophobicContact CG2-CD1 3.94Å; I128-L132 PolarHBondContact O-N 3.33Å; K129-L132 PolarHBondContact O-N 2.95Å; K129-L132 VanDerWaalsContact O-N 3.09Å; L132-R134 PolarHBondContact O-N 3.12Å; L132-N135 CarbonylContact O-C 3.5Å; L132-N135 PolarHBondContact O-N 2.72Å; L132-P136 WeakPolarHBondContact CD2-O 3.32Å; L132-P136 VanDerWaalsContact O-N 3.15Å; L132-F139 HydrophobicContact CD2-CD2 3.88Å; L132-F139 HydrophobicContact CD2-CE2 4.34Å; L132-F139 HydrophobicContact CG-CD2 4.03Å; L132-F139 HydrophobicContact CG-CE2 4Å
133E96.1Very high94.2Very high125 Ų12567.8 Ų67.858%0.58433%0.333SS*.Hα-helixtrans-59.1-32.2175.5-74.5168.3172.400112.4K129K129-E133 VanDerWaalsContact CE-OE1 3.31Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 HydrophobicContact CG-CG 4.47Å; K129-E133 WeakPolarHBondContact CG-OE1 3.47Å; K129-E133 IonicContact NZ-OE1 2.73Å; K129-E133 PolarHBondContact NZ-OE1 3.33Å; K129-E133 WeakPolarHBondContact O-CG 3.49Å; K129-E133 PolarHBondContact O-N 2.63Å
134R95.8Very high93.4Very high175 Ų17566.3 Ų66.366%0.6633%0.334SS*.Hα-helixtrans-87.7-27.8176.8-69.5178.8-66.2162.42.4113.8M130 T131 L132M130-R134 WeakPolarHBondContact O-CG 3.24Å; M130-R134 PolarHBondContact O-NE 3.21Å; T131-R134 PolarHBondContact O-N 3.45Å; L132-R134 PolarHBondContact O-N 3.12Å
135N91.7Very high92Very high61 Ų6177.4 Ų77.433%0.32638%0.376SS..  trans-154.9110.7171.717419000109.9T131 L132 T137 A138T131-N135 PolarHBondContact O-N 3.45Å; L132-N135 CarbonylContact O-C 3.5Å; L132-N135 PolarHBondContact O-N 2.72Å; N135-T137 PolarHBondContact ND2-OG1 2.99Å; N135-T137 PolarHBondContact O-N 2.95Å; N135-T137 VanDerWaalsContact O-N 3.11Å; N135-T137 PolarHBondContact OD1-N 3.45Å; N135-T137 PolarHBondContact OD1-OG1 3.27Å; N135-A138 HydrophobicContact CB-CB 4.2Å; N135-A138 PolarHBondContact ND2-N 2.73Å; N135-A138 WeakPolarHBondContact O-CB 3.4Å; N135-A138 PolarHBondContact O-N 2.91Å
136P93.6Very high90.3Very high94 Ų9479.1 Ų79.161%0.6139%0.394SS*.THydrogen-bonded Turntrans-63.3-22.7-179.225.4-34.4000112.9L132L132-P136 WeakPolarHBondContact CD2-O 3.32Å; L132-P136 VanDerWaalsContact O-N 3.15Å
137T89.9Confident88.6Confident81 Ų8182.4 Ų82.450%0.49742%0.415SS..THydrogen-bonded Turntrans-90.56.9177.667.20000113.8N135 F139 H140N135-T137 PolarHBondContact ND2-OG1 2.99Å; N135-T137 PolarHBondContact O-N 2.95Å; N135-T137 VanDerWaalsContact O-N 3.11Å; N135-T137 PolarHBondContact OD1-N 3.45Å; N135-T137 PolarHBondContact OD1-OG1 3.27Å; T137-F139 PolarHBondContact O-N 3.44Å; T137-F139 VanDerWaalsContact O-N 3.07Å; T137-H140 WeakPolarHBondContact O-CB 3.26Å; T137-H140 PolarHBondContact O-N 3.38Å
138A93.1Very high87.2Confident16 Ų1684.7 Ų84.713%0.13244%0.44CS..THydrogen-bonded Turntrans-56.2-31.3-170.200000115.5L95 T131 N135L95-A138 HydrophobicContact CD1-CB 4.21Å; T131-A138 HydrophobicContact CG2-CB 3.63Å; N135-A138 HydrophobicContact CB-CB 4.2Å; N135-A138 PolarHBondContact ND2-N 2.73Å; N135-A138 WeakPolarHBondContact O-CB 3.4Å; N135-A138 PolarHBondContact O-N 2.91Å
139F93.6Very high86.1Confident24 Ų2490.1 Ų90.111%0.10547%0.465CS..THydrogen-bonded Turntrans-106.911.2178.8-56.6-73.2000113.1A8 L95 F100 I128 T131 L132 T137A8-F139 HydrophobicContact CB-CB 4.43Å; A8-F139 HydrophobicContact CB-CD1 4.03Å; A8-F139 HydrophobicContact CB-CD2 4.03Å; A8-F139 HydrophobicContact CB-CE1 4.27Å; A8-F139 HydrophobicContact CB-CE2 4.27Å; A8-F139 HydrophobicContact CB-CG 3.9Å; A8-F139 HydrophobicContact CB-CZ 4.38Å; L95-F139 HydrophobicContact CD2-CD1 4.3Å; L95-F139 HydrophobicContact CD2-CE1 3.8Å; L95-F139 HydrophobicContact CD2-CZ 4.35Å; F100-F139 HydrophobicContact CD1-CE1 4.09Å; F100-F139 HydrophobicContact CD1-CZ 4.44Å; F100-F139 AromaticContact CE1-CE1 3.85Å; F100-F139 HydrophobicContact CE1-CE1 3.85Å; F100-F139 AromaticContact CE1-CZ 3.74Å; F100-F139 HydrophobicContact CE1-CZ 3.74Å; F100-F139 HydrophobicContact CZ-CE1 4.29Å; F100-F139 AromaticContact CZ-CZ 3.92Å; F100-F139 HydrophobicContact CZ-CZ 3.92Å; F100-F139 VanDerWaalsContact O-CE1 3.23Å; F100-F139 WeakPolarHBondContact O-CE1 3.42Å; I128-F139 HydrophobicContact CB-CE2 4.48Å; I128-F139 HydrophobicContact CG1-CZ 4.24Å; I128-F139 HydrophobicContact CG2-CE2 3.94Å; I128-F139 HydrophobicContact CG2-CZ 4.41Å; T131-F139 HydrophobicContact CG2-CE1 4.47Å; T131-F139 HydrophobicContact CG2-CE2 3.83Å; T131-F139 HydrophobicContact CG2-CZ 3.67Å; L132-F139 HydrophobicContact CD2-CD2 3.88Å; L132-F139 HydrophobicContact CD2-CE2 4.34Å; L132-F139 HydrophobicContact CG-CD2 4.03Å; L132-F139 HydrophobicContact CG-CE2 4Å; T137-F139 PolarHBondContact O-N 3.44Å; T137-F139 VanDerWaalsContact O-N 3.07Å
140H88.8Confident85.7Confident120 Ų12092.1 Ų92.156%0.55647%0.469SS*.SBendtrans-81.6152.6170-77.6-116.3000110.7T137 K142T137-H140 WeakPolarHBondContact O-CB 3.26Å; T137-H140 PolarHBondContact O-N 3.38Å; H140-K142 PolarHBondContact O-N 3.22Å
141P88.6Confident85.4Confident85 Ų8590.9 Ų90.955%0.55246%0.461SS*.  trans-56.8126.6173.5-24.334.4000111.8I143P141-I143 PolarHBondContact O-N 3Å
142K89.8Confident85.2Confident118 Ų11890.9 Ų90.951%0.51346%0.461SS..SBendtrans-66.4-20.2179.6-62.5-177.7-177.9176.40114.1H140 T153 E169H140-K142 PolarHBondContact O-N 3.22Å; K142-T153 PolarHBondContact O-N 3.48Å; K142-T153 PolarHBondContact O-OG1 3.19Å; K142-E169 IonicContact NZ-OE1 2.87Å; K142-E169 PolarHBondContact NZ-OE1 3.13Å
143I89Confident85Confident41 Ų4194.3 Ų94.321%0.2148%0.483CS..BIsolated β-bridgetrans-110.1127.8-179.9-48-60.9000108.5P141 R150 H152 A173 I175P141-I143 PolarHBondContact O-N 3Å; I143-R150 HydrophobicContact CG2-CB 4.31Å; I143-H152 HydrophobicContact CD1-CB 4.22Å; I143-A173 HydrophobicContact CD1-CB 3.57Å; I143-A173 HydrophobicContact CG1-CB 3.81Å; I143-I175 HydrophobicContact CD1-CD1 3.75Å; I143-I175 HydrophobicContact CD1-CG1 4.45Å; I143-I175 HydrophobicContact CG2-CD1 4.43Å
144G79.4Confident84.7Confident32 Ų3296.1 Ų96.133%0.3349%0.489SS..  trans-61.4135.1175.600000112.2G146 K151G144-G146 VanDerWaalsContact C-N 3.34Å; G144-K151 PolarHBondContact N-O 3.26Å
145R69.4Low84.7Confident234 Ų23487.8 Ų87.888%0.88346%0.458SS*.  trans-98.439.4174.5-65.9-175.4176-118.52.7112
146G60.7Low85Confident50 Ų5085 Ų8552%0.51544%0.443SS..SBendtrans-84.7163.1176.800000112.6G144G144-G146 VanDerWaalsContact C-N 3.34Å
147E61.3Low85.2Confident212 Ų21285.1 Ų85.199%0.99144%0.439SS*.SBendtrans-75.9-12.2169.7-161.7163.7-164.500112.2
148G67.3Low85.6Confident56 Ų5682.1 Ų82.158%0.57742%0.421SS*.SBendtrans-82.4-175.8167.400000114.3R150G148-R150 PolarHBondContact O-N 2.89Å
149E74.5Confident85.9Confident114 Ų11488.7 Ų88.753%0.53345%0.446SS..  trans-54.8117.9-177.9-158.3-166.7141.400112.1K151E149-K151 VanDerWaalsContact CD-NZ 3.29Å; E149-K151 PolarHBondContact O-N 3.02Å; E149-K151 WeakPolarHBondContact OE1-CE 3.06Å; E149-K151 IonicContact OE1-NZ 3.13Å; E149-K151 PolarHBondContact OE1-NZ 3.22Å; E149-K151 WeakPolarHBondContact OE2-CE 3.36Å; E149-K151 IonicContact OE2-NZ 2.69Å; E149-K151 PolarHBondContact OE2-NZ 3.21Å
150R87.1Confident86Confident171 Ų17198.9 Ų98.965%0.64548%0.484SS*.  trans-72.4101.3-175.5-63.3-172.6-162.1122.14.6111I143 G148 I175I143-R150 HydrophobicContact CG2-CB 4.31Å; G148-R150 PolarHBondContact O-N 2.89Å; R150-I175 HydrophobicContact CB-CG2 3.93Å; R150-I175 WeakPolarHBondContact O-CB 3.5Å; R150-I175 VanDerWaalsContact O-CD1 3.29Å; R150-I175 WeakPolarHBondContact O-CD1 3.36Å; R150-I175 WeakPolarHBondContact O-CG2 3.45Å
151K91.1Very high86.4Confident67 Ų6793.9 Ų93.929%0.29146%0.463SS..  trans-105.7156.4179.5-67.6177.9-176.9177.70112.9G144 E149G144-K151 PolarHBondContact N-O 3.26Å; E149-K151 VanDerWaalsContact CD-NZ 3.29Å; E149-K151 PolarHBondContact O-N 3.02Å; E149-K151 WeakPolarHBondContact OE1-CE 3.06Å; E149-K151 IonicContact OE1-NZ 3.13Å; E149-K151 PolarHBondContact OE1-NZ 3.22Å; E149-K151 WeakPolarHBondContact OE2-CE 3.36Å; E149-K151 IonicContact OE2-NZ 2.69Å; E149-K151 PolarHBondContact OE2-NZ 3.21Å
152H92.3Very high86.8Confident4 Ų490.8 Ų90.82%0.01945%0.446CS..BIsolated β-bridgetrans-80.7115.2170.3-172.5-98.6000109.2I143 K154 G155 E169 I175I143-H152 HydrophobicContact CD1-CB 4.22Å; H152-K154 PolarHBondContact O-N 2.86Å; H152-G155 PolarHBondContact CE1-O 3.17Å; H152-G155 VanDerWaalsContact ND1-C 3.31Å; H152-G155 WeakPolarHBondContact ND1-CA 3.4Å; H152-G155 PolarHBondContact ND1-N 3.25Å; H152-G155 VanDerWaalsContact ND1-N 3.15Å; H152-G155 PolarHBondContact ND1-O 3.28Å; H152-G155 PolarHBondContact O-N 3.04Å; H152-E169 IonicContact CE1-OE2 2.71Å; H152-E169 PolarHBondContact CE1-OE2 3.46Å; H152-E169 VanDerWaalsContact CE1-OE2 3.23Å; H152-E169 IonicContact NE2-OE2 2.74Å; H152-E169 PolarHBondContact NE2-OE2 3.28Å; H152-I175 HydrophobicContact CB-CD1 4.08Å
153T91Very high87.3Confident100 Ų10085.2 Ų85.261%0.61342%0.422SS*.THydrogen-bonded Turntrans-56.2-27.4-167.5-47.90000114.3K142K142-T153 PolarHBondContact O-N 3.48Å; K142-T153 PolarHBondContact O-OG1 3.19Å
154K91.5Very high87.6Confident163 Ų16383.9 Ų83.971%0.70942%0.415SS*.THydrogen-bonded Turntrans-105.1-10.8178.8-174.2172.1177.3-179.40114.1H152H152-K154 PolarHBondContact O-N 2.86Å
155G95.2Very high88.4Confident1 Ų188.1 Ų88.11%0.0143%0.425CS..  trans62.2172-16100000114.1H152 C181H152-G155 PolarHBondContact CE1-O 3.17Å; H152-G155 VanDerWaalsContact ND1-C 3.31Å; H152-G155 WeakPolarHBondContact ND1-CA 3.4Å; H152-G155 PolarHBondContact ND1-N 3.25Å; H152-G155 VanDerWaalsContact ND1-N 3.15Å; H152-G155 PolarHBondContact ND1-O 3.28Å; H152-G155 PolarHBondContact O-N 3.04Å; G155-C181 VanDerWaalsContact CA-SG 3.54Å
156C97.8Very high89.7Confident2 Ų282 Ų821%0.01441%0.409CS..  trans-103.8166.8176.177.30000112.1C168 C181 R182C156-C168 VanDerWaalsContact SG-SG 3.67Å; C156-C181 PolarHBondContact N-SG 3.22Å; C156-C181 CarbonylContact O-C 3.06Å; C156-R182 PolarHBondContact O-N 2.9Å
157N98.1Very high91.4Very high96 Ų9689.2 Ų89.251%0.51342%0.422SS..  trans-128.134.3-177.9-62.3-93.7000112
158C98.5Very high93.1Very high18 Ų1879.1 Ų79.112%0.12238%0.375CS..  trans-68.5137.9-172.6-61.60000112.8S161 C168 C183 Q184C158-S161 WeakPolarHBondContact CB-OG 3.41Å; C158-C168 VanDerWaalsContact SG-CB 3.54Å; C158-C183 HydrophobicContact CB-CB 4.17Å; C158-C183 CarbonylContact O-C 3.37Å; C158-C183 VanDerWaalsContact O-CA 3.24Å; C158-C183 WeakPolarHBondContact O-CA 3.48Å; C158-C183 WeakPolarHBondContact O-CB 3.31Å; C158-Q184 PolarHBondContact O-N 3.4Å
159K97.9Very high94.4Very high154 Ų15479.6 Ų79.667%0.6736%0.362SS*.SBendtrans-111.3-29.3177.7-58.5-170.8178.5-174.90115.3
160R97.6Very high95.5Very high239 Ų23974.2 Ų74.290%0.90234%0.337SS*.SBendtrans-125.1-6.4-168.7-65.2-170.8-71.3167.1-3.9115.5
161S96.7Very high96Very high15 Ų1567.1 Ų67.111%0.10531%0.311CS..SBendtrans-91.7-5.4-173.457.60000114.4C158 C163 L164C158-S161 WeakPolarHBondContact CB-OG 3.41Å; S161-C163 PolarHBondContact O-N 3.36Å; S161-C163 PolarHBondContact OG-N 3.34Å; S161-L164 PolarHBondContact O-N 3.14Å
162G97.4Very high96.2Very high20 Ų2068.8 Ų68.821%0.20632%0.319CS..THydrogen-bonded Turntrans57.79-163.800000113.5L164 G185 R187G162-L164 PolarHBondContact O-N 3.44Å; G162-G185 WeakPolarHBondContact CA-O 2.84Å; G162-R187 PolarHBondContact O-N 3.01Å
163C98.4Very high96.2Very high0 Ų070.6 Ų70.60%034%0.335CS..THydrogen-bonded Turntrans56.515.6-161.7-590000115.8S161 C168 Y171 C183 N188S161-C163 PolarHBondContact O-N 3.36Å; S161-C163 PolarHBondContact OG-N 3.34Å; C163-C168 HydrophobicContact CB-CB 4.23Å; C163-Y171 WeakPolarHBondContact O-CB 3.36Å; C163-C183 WeakPolarHBondContact SG-CB 3.48Å; C163-N188 HydrophobicContact CB-CB 3.32Å; C163-N188 WeakPolarHBondContact O-CB 3Å
164L96.6Very high96.3Very high14 Ų1470.4 Ų70.47%0.07333%0.326CS..  trans-10820.5179.9-64.4-178.3000114S161 G162 Y171 R187 N188 E194 R195 L198S161-L164 PolarHBondContact O-N 3.14Å; G162-L164 PolarHBondContact O-N 3.44Å; L164-Y171 HydrophobicContact CB-CE2 4.47Å; L164-Y171 HydrophobicContact CD2-CD2 4Å; L164-Y171 HydrophobicContact CD2-CE2 3.94Å; L164-Y171 WeakPolarHBondContact O-CE1 3.37Å; L164-R187 HydrophobicContact CD1-CB 3.61Å; L164-R187 HydrophobicContact CG-CB 4Å; L164-N188 HydrophobicContact CD2-CB 4.1Å; L164-E194 HydrophobicContact CD1-CB 3.94Å; L164-E194 HydrophobicContact CD1-CG 3.63Å; L164-R195 HydrophobicContact CD2-CB 3.73Å; L164-R195 HydrophobicContact CD2-CG 4.11Å; L164-L198 HydrophobicContact CB-CD1 4.08Å; L164-L198 HydrophobicContact CD1-CD1 4.18Å
165K96.4Very high96.5Very high121 Ų12163.3 Ų63.353%0.52630%0.295SS..SBendtrans-129.2153.9176.5-58.1-177.9-178.8-178.20108.9Y167 C168 Y171K165-Y167 HydrophobicContact CB-CD2 3.78Å; K165-Y167 HydrophobicContact CB-CE2 4.44Å; K165-Y167 HydrophobicContact CD-CD2 4.38Å; K165-Y167 HydrophobicContact CD-CE2 4.49Å; K165-Y167 PolarHBondContact O-N 3.32Å; K165-C168 PolarHBondContact O-N 3.35Å; K165-Y171 VanDerWaalsContact C-CD1 3.49Å
166N95.7Very high96.5Very high104 Ų10464 Ų6456%0.55630%0.3SS*.THydrogen-bonded Turntrans-61.1-8.5-178.2-65.5-31000114.5C168N166-C168 PolarHBondContact O-N 3.18Å
167Y96Very high96.4Very high202 Ų20264.7 Ų64.779%0.79231%0.305SS*.THydrogen-bonded Turntrans-62.4-15165.1-56.2-69.9000114.3K165K165-Y167 HydrophobicContact CB-CD2 3.78Å; K165-Y167 HydrophobicContact CB-CE2 4.44Å; K165-Y167 HydrophobicContact CD-CD2 4.38Å; K165-Y167 HydrophobicContact CD-CE2 4.49Å; K165-Y167 PolarHBondContact O-N 3.32Å
168C98.1Very high96.3Very high0 Ų061 Ų610%029%0.287CS..SBendtrans-98.3117.9173.7178.10000110.4C156 C158 C163 K165 N166 C170 Y171 E172C156-C168 VanDerWaalsContact SG-SG 3.67Å; C158-C168 VanDerWaalsContact SG-CB 3.54Å; C163-C168 HydrophobicContact CB-CB 4.23Å; K165-C168 PolarHBondContact O-N 3.35Å; N166-C168 PolarHBondContact O-N 3.18Å; C168-C170 PolarHBondContact O-N 3.19Å; C168-C170 VanDerWaalsContact O-N 3.15Å; C168-Y171 PolarHBondContact O-N 3.39Å; C168-E172 WeakPolarHBondContact O-CB 3.49Å; C168-E172 PolarHBondContact O-N 3.39Å
169E94.9Very high96.1Very high67 Ų6766.6 Ų66.631%0.31332%0.316SS..Hα-helixtrans-55.8-32.3179.7-59.7179.9120.300112.5K142 H152 A173K142-E169 IonicContact NZ-OE1 2.87Å; K142-E169 PolarHBondContact NZ-OE1 3.13Å; H152-E169 IonicContact CE1-OE2 2.71Å; H152-E169 PolarHBondContact CE1-OE2 3.46Å; H152-E169 VanDerWaalsContact CE1-OE2 3.23Å; H152-E169 IonicContact NE2-OE2 2.74Å; H152-E169 PolarHBondContact NE2-OE2 3.28Å; E169-A173 WeakPolarHBondContact O-CB 3.46Å; E169-A173 PolarHBondContact O-N 2.99Å; E169-A173 VanDerWaalsContact O-N 3.11Å
170C97.2Very high96Very high1 Ų163 Ų631%0.00730%0.303CS..Hα-helixtrans-69.8-46.3177-55.70000111.5C168 A173 K174 I175 C181C168-C170 PolarHBondContact O-N 3.19Å; C168-C170 VanDerWaalsContact O-N 3.15Å; C170-A173 CarbonylContact O-C 3.52Å; C170-A173 PolarHBondContact O-N 2.82Å; C170-K174 PolarHBondContact O-N 3.29Å; C170-K174 VanDerWaalsContact O-N 3.12Å; C170-I175 CarbonylContact C-O 3.46Å; C170-I175 HydrophobicContact CB-CG1 4.16Å; C170-I175 VanDerWaalsContact O-CG1 3.31Å; C170-I175 WeakPolarHBondContact O-CG1 2.99Å; C170-I175 PolarHBondContact O-N 3.04Å; C170-I175 VanDerWaalsContact O-O 3.06Å; C170-C181 VanDerWaalsContact SG-SG 3.69Å
171Y96.9Very high96Very high21 Ų2152.5 Ų52.58%0.08227%0.266CS..Hα-helixtrans-71.3-37.9179.4-177.2-95.3000112.6C163 L164 K165 C168 A173 K174C163-Y171 WeakPolarHBondContact O-CB 3.36Å; L164-Y171 HydrophobicContact CB-CE2 4.47Å; L164-Y171 HydrophobicContact CD2-CD2 4Å; L164-Y171 HydrophobicContact CD2-CE2 3.94Å; L164-Y171 WeakPolarHBondContact O-CE1 3.37Å; K165-Y171 VanDerWaalsContact C-CD1 3.49Å; C168-Y171 PolarHBondContact O-N 3.39Å; Y171-A173 VanDerWaalsContact C-N 3.33Å; Y171-K174 PolarHBondContact O-N 2.61Å; Y171-K174 PolarHBondContact O-NZ 3.48Å
172E95.1Very high96Very high102 Ų10261.8 Ų61.848%0.47730%0.299SS..Hα-helixtrans-55.5-51170.8-173.6-178.5-162.500110.1C168 K174C168-E172 WeakPolarHBondContact O-CB 3.49Å; C168-E172 PolarHBondContact O-N 3.39Å; E172-K174 PolarHBondContact O-N 3.21Å; E172-K174 VanDerWaalsContact O-N 3.14Å; E172-K174 PolarHBondContact O-NZ 3.26Å
173A93.2Very high96.1Very high42 Ų4262 Ų6235%0.34730%0.297SS..THydrogen-bonded Turntrans-71.12175.500000115.3I143 E169 C170 Y171 I175I143-A173 HydrophobicContact CD1-CB 3.57Å; I143-A173 HydrophobicContact CG1-CB 3.81Å; E169-A173 WeakPolarHBondContact O-CB 3.46Å; E169-A173 PolarHBondContact O-N 2.99Å; E169-A173 VanDerWaalsContact O-N 3.11Å; C170-A173 CarbonylContact O-C 3.52Å; C170-A173 PolarHBondContact O-N 2.82Å; Y171-A173 VanDerWaalsContact C-N 3.33Å; A173-I175 VanDerWaalsContact C-N 3.27Å; A173-I175 HydrophobicContact CB-CG1 4.21Å; A173-I175 PolarHBondContact O-N 2.7Å
174K93.7Very high96.1Very high96 Ų9667.6 Ų67.642%0.41732%0.323SS..THydrogen-bonded Turntrans59.631.9178.9-54.3-68.5162-73.10114C170 Y171 E172 M199C170-K174 PolarHBondContact O-N 3.29Å; C170-K174 VanDerWaalsContact O-N 3.12Å; Y171-K174 PolarHBondContact O-N 2.61Å; Y171-K174 PolarHBondContact O-NZ 3.48Å; E172-K174 PolarHBondContact O-N 3.21Å; E172-K174 VanDerWaalsContact O-N 3.14Å; E172-K174 PolarHBondContact O-NZ 3.26Å; K174-M199 HydrophobicContact CB-CE 3.77Å; K174-M199 HydrophobicContact CD-CE 4.06Å; K174-M199 VanDerWaalsContact O-CE 3.25Å; K174-M199 WeakPolarHBondContact O-CE 3.37Å
175I94.2Very high96.1Very high14 Ų1470 Ų707%0.07235%0.351CS..  trans-115160.6173.560.8161000111.4I143 R150 H152 C170 A173 N188 R195I143-I175 HydrophobicContact CD1-CD1 3.75Å; I143-I175 HydrophobicContact CD1-CG1 4.45Å; I143-I175 HydrophobicContact CG2-CD1 4.43Å; R150-I175 HydrophobicContact CB-CG2 3.93Å; R150-I175 WeakPolarHBondContact O-CB 3.5Å; R150-I175 VanDerWaalsContact O-CD1 3.29Å; R150-I175 WeakPolarHBondContact O-CD1 3.36Å; R150-I175 WeakPolarHBondContact O-CG2 3.45Å; H152-I175 HydrophobicContact CB-CD1 4.08Å; C170-I175 CarbonylContact C-O 3.46Å; C170-I175 HydrophobicContact CB-CG1 4.16Å; C170-I175 VanDerWaalsContact O-CG1 3.31Å; C170-I175 WeakPolarHBondContact O-CG1 2.99Å; C170-I175 PolarHBondContact O-N 3.04Å; C170-I175 VanDerWaalsContact O-O 3.06Å; A173-I175 VanDerWaalsContact C-N 3.27Å; A173-I175 HydrophobicContact CB-CG1 4.21Å; A173-I175 PolarHBondContact O-N 2.7Å; I175-N188 PolarHBondContact O-ND2 3.41Å; I175-N188 VanDerWaalsContact O-ND2 3.08Å; I175-R195 VanDerWaalsContact C-NH1 3.27Å; I175-R195 VanDerWaalsContact C-NH2 3.33Å; I175-R195 PolarHBondContact O-NH1 3.03Å
176S95.4Very high96.2Very high15 Ų1566.2 Ų66.211%0.10534%0.34CS..  trans-62.7152.5172.7-4.10000109.5E190S176-E190 WeakPolarHBondContact OG-CG 3.28Å; S176-E190 PolarHBondContact OG-OE1 3.49Å
177C97.3Very high96.2Very high18 Ų1867.9 Ų67.912%0.12234%0.338CS..  trans-70.4140.3157.9-76.10000108.1C181 N188C177-C181 HydrophobicContact CB-CB 4.15Å; C177-N188 HydrophobicContact CB-CB 4.46Å; C177-N188 PolarHBondContact N-ND2 3.22Å; C177-N188 VanDerWaalsContact N-ND2 3.16Å; C177-N188 PolarHBondContact N-O 2.94Å; C177-N188 PolarHBondContact SG-ND2 3.23Å; C177-N188 VanDerWaalsContact SG-ND2 3.39Å
178S95Very high96.3Very high19 Ų1958.3 Ų58.313%0.13330%0.301CS..  trans-108177.9176.868.70000111.4L180 C181S178-L180 PolarHBondContact O-N 3.12Å; S178-L180 VanDerWaalsContact O-N 3.13Å; S178-L180 PolarHBondContact OG-N 3.43Å; S178-C181 VanDerWaalsContact O-CB 3.25Å; S178-C181 WeakPolarHBondContact O-CB 3.4Å; S178-C181 PolarHBondContact O-N 3.33Å
179D95Very high96.2Very high135 Ų13560.5 Ų60.572%0.72231%0.314SS*.THydrogen-bonded Turntrans-50.1-25.2168.258.6-46.6000114.5C181D179-C181 VanDerWaalsContact C-N 3.27Å; D179-C181 PolarHBondContact O-N 3.47Å
180L95Very high96Very high78 Ų7862.9 Ų62.941%0.40833%0.325SS..THydrogen-bonded Turntrans-71.6-17.6174.1-56.5178.2000113.4S178S178-L180 PolarHBondContact O-N 3.12Å; S178-L180 VanDerWaalsContact O-N 3.13Å; S178-L180 PolarHBondContact OG-N 3.43Å
181C97.6Very high95.8Very high19 Ų1968.5 Ų68.513%0.12836%0.355CS..  trans-82130.1-176.1-650000112.4G155 C156 C170 C177 S178 D179G155-C181 VanDerWaalsContact CA-SG 3.54Å; C156-C181 PolarHBondContact N-SG 3.22Å; C156-C181 CarbonylContact O-C 3.06Å; C170-C181 VanDerWaalsContact SG-SG 3.69Å; C177-C181 HydrophobicContact CB-CB 4.15Å; S178-C181 VanDerWaalsContact O-CB 3.25Å; S178-C181 WeakPolarHBondContact O-CB 3.4Å; S178-C181 PolarHBondContact O-N 3.33Å; D179-C181 VanDerWaalsContact C-N 3.27Å; D179-C181 PolarHBondContact O-N 3.47Å
182R97.8Very high95.6Very high209 Ų20968.3 Ų68.379%0.78936%0.357SS*.  trans-101.639.6175-56.6-178.8-178.5-170.4-1.8111.7C156C156-R182 PolarHBondContact O-N 2.9Å
183C98.4Very high95.4Very high26 Ų2669 Ų6918%0.17637%0.368CS..  trans-84.6144.8-178.3470000112.5C158 C163 C186C158-C183 HydrophobicContact CB-CB 4.17Å; C158-C183 CarbonylContact O-C 3.37Å; C158-C183 VanDerWaalsContact O-CA 3.24Å; C158-C183 WeakPolarHBondContact O-CA 3.48Å; C158-C183 WeakPolarHBondContact O-CB 3.31Å; C163-C183 WeakPolarHBondContact SG-CB 3.48Å; C183-C186 VanDerWaalsContact SG-CB 3.58Å; C183-C186 VanDerWaalsContact SG-SG 3.67Å
184Q98.1Very high95.4Very high117 Ų11771 Ų7155%0.54737%0.37SS..SBendtrans-97.1139.6176.6-63173.4-2900109.9C158 C186C158-Q184 PolarHBondContact O-N 3.4Å; Q184-C186 VanDerWaalsContact C-N 3.33Å; Q184-C186 PolarHBondContact O-N 3.13Å
185G96.7Very high95.4Very high64 Ų6467.6 Ų67.666%0.6636%0.355SS*.SBendtrans58.140.3-179.700000113.6G162 R187G162-G185 WeakPolarHBondContact CA-O 2.84Å; G185-R187 PolarHBondContact O-N 3.45Å
186C98.1Very high95.3Very high42 Ų4272.9 Ų72.928%0.28437%0.374SS..  trans-68.5121-175.5-170.50000111.8C183 Q184 N188C183-C186 VanDerWaalsContact SG-CB 3.58Å; C183-C186 VanDerWaalsContact SG-SG 3.67Å; Q184-C186 VanDerWaalsContact C-N 3.33Å; Q184-C186 PolarHBondContact O-N 3.13Å; C186-N188 PolarHBondContact SG-N 3.15Å
187R97.3Very high95.2Very high139 Ų13975.9 Ų75.953%0.52539%0.394SS..  trans-109.19.8170.6-53.4-171.1-174.2178.4-2.2112.6G162 L164 G185 T189 S192 E194G162-R187 PolarHBondContact O-N 3.01Å; L164-R187 HydrophobicContact CD1-CB 3.61Å; L164-R187 HydrophobicContact CG-CB 4Å; G185-R187 PolarHBondContact O-N 3.45Å; R187-T189 VanDerWaalsContact C-N 3.31Å; R187-T189 PolarHBondContact O-N 3.47Å; R187-S192 WeakPolarHBondContact O-CB 3.35Å; R187-S192 PolarHBondContact O-OG 3.28Å; R187-E194 WeakPolarHBondContact CD-OE2 3.25Å; R187-E194 IonicContact CZ-OE2 3.83Å; R187-E194 IonicContact NE-OE2 2.67Å; R187-E194 IonicContact NH1-OE1 3.26Å; R187-E194 PolarHBondContact NH1-OE1 3.35Å; R187-E194 IonicContact NH1-OE2 3.92Å; R187-E194 PolarHBondContact NH1-OE2 2.81Å
188N97.3Very high95Very high0 Ų077.9 Ų77.90%040%0.404CS..  trans-96.344.6-177.2-169.351.2000112.4C163 L164 I175 C177 C186 R195C163-N188 HydrophobicContact CB-CB 3.32Å; C163-N188 WeakPolarHBondContact O-CB 3Å; L164-N188 HydrophobicContact CD2-CB 4.1Å; I175-N188 PolarHBondContact O-ND2 3.41Å; I175-N188 VanDerWaalsContact O-ND2 3.08Å; C177-N188 HydrophobicContact CB-CB 4.46Å; C177-N188 PolarHBondContact N-ND2 3.22Å; C177-N188 VanDerWaalsContact N-ND2 3.16Å; C177-N188 PolarHBondContact N-O 2.94Å; C177-N188 PolarHBondContact SG-ND2 3.23Å; C177-N188 VanDerWaalsContact SG-ND2 3.39Å; C186-N188 PolarHBondContact SG-N 3.15Å; N188-R195 WeakPolarHBondContact OD1-CD 3.3Å; N188-R195 PolarHBondContact OD1-NH1 3.48Å
189T95.5Very high94.7Very high46 Ų4679.1 Ų79.128%0.28241%0.408SS..SBendtrans-99.2164.8178.960.20000110.2R187 D191 S192 R195R187-T189 VanDerWaalsContact C-N 3.31Å; R187-T189 PolarHBondContact O-N 3.47Å; T189-D191 VanDerWaalsContact C-N 3.34Å; T189-D191 WeakPolarHBondContact CB-OD1 3.45Å; T189-D191 PolarHBondContact O-N 3.18Å; T189-D191 PolarHBondContact OG1-OD1 2.95Å; T189-S192 WeakPolarHBondContact O-CB 3.39Å; T189-S192 PolarHBondContact O-N 3.32Å; T189-R195 WeakPolarHBondContact O-CD 3.29Å
190E91.6Very high94.5Very high117 Ų11781.1 Ų81.155%0.54741%0.405SS..SBendtrans-73.1-28-171.5-54.2-161141.400114S176 R196S176-E190 WeakPolarHBondContact OG-CG 3.28Å; S176-E190 PolarHBondContact OG-OE1 3.49Å; E190-R196 PolarHBondContact O-NH2 3.42Å; E190-R196 VanDerWaalsContact O-NH2 3.13Å
191D91.6Very high94.3Very high120 Ų12083.3 Ų83.364%0.64242%0.417SS*.SBendtrans-76.6-21.5174.961.8-49000113.4T189 V193T189-D191 VanDerWaalsContact C-N 3.34Å; T189-D191 WeakPolarHBondContact CB-OD1 3.45Å; T189-D191 PolarHBondContact O-N 3.18Å; T189-D191 PolarHBondContact OG1-OD1 2.95Å; D191-V193 PolarHBondContact O-N 3.23Å; D191-V193 VanDerWaalsContact O-N 3.12Å
192S92.7Very high93.8Very high17 Ų1784.9 Ų84.912%0.11943%0.431CS..  trans-58.6113.1-176.5174.90000113.3R187 T189 E194 R195 R196R187-S192 WeakPolarHBondContact O-CB 3.35Å; R187-S192 PolarHBondContact O-OG 3.28Å; T189-S192 WeakPolarHBondContact O-CB 3.39Å; T189-S192 PolarHBondContact O-N 3.32Å; S192-E194 VanDerWaalsContact C-N 3.31Å; S192-E194 PolarHBondContact O-N 3.42Å; S192-R195 PolarHBondContact O-N 3.43Å; S192-R195 WeakPolarHBondContact OG-CB 3.47Å; S192-R195 PolarHBondContact OG-N 3.46Å; S192-R195 VanDerWaalsContact OG-N 3.13Å; S192-R196 WeakPolarHBondContact O-CB 3.46Å; S192-R196 PolarHBondContact O-N 3.29Å
193V92.2Very high93.3Very high116 Ų11677.6 Ų77.670%0.70342%0.416SS*.Hα-helixtrans-63.2-39.3174.6-177.70000110.8D191 R196 S197D191-V193 PolarHBondContact O-N 3.23Å; D191-V193 VanDerWaalsContact O-N 3.12Å; V193-R196 PolarHBondContact O-N 3.39Å; V193-S197 WeakPolarHBondContact O-CB 3.36Å; V193-S197 PolarHBondContact O-N 3.07Å
194E93.3Very high92.9Very high85 Ų8581.9 Ų81.940%0.39743%0.434SS..Hα-helixtrans-60.4-48.7177.3-164.7-175.2166.500110.9L164 R187 S192 R196 S197 L198L164-E194 HydrophobicContact CD1-CB 3.94Å; L164-E194 HydrophobicContact CD1-CG 3.63Å; R187-E194 WeakPolarHBondContact CD-OE2 3.25Å; R187-E194 IonicContact CZ-OE2 3.83Å; R187-E194 IonicContact NE-OE2 2.67Å; R187-E194 IonicContact NH1-OE1 3.26Å; R187-E194 PolarHBondContact NH1-OE1 3.35Å; R187-E194 IonicContact NH1-OE2 3.92Å; R187-E194 PolarHBondContact NH1-OE2 2.81Å; S192-E194 VanDerWaalsContact C-N 3.31Å; S192-E194 PolarHBondContact O-N 3.42Å; E194-R196 PolarHBondContact O-N 3.21Å; E194-S197 PolarHBondContact O-N 3.25Å; E194-L198 HydrophobicContact CG-CD1 4.32Å; E194-L198 WeakPolarHBondContact O-CG 3.14Å; E194-L198 PolarHBondContact O-N 3.02Å
195R94.2Very high92.3Very high24 Ų2478.1 Ų78.19%0.09143%0.427CS..Hα-helixtrans-56.5-48.6173.1-180-172.4152.185.5-5.9111.2L164 I175 N188 T189 S192 S197 L198 M199L164-R195 HydrophobicContact CD2-CB 3.73Å; L164-R195 HydrophobicContact CD2-CG 4.11Å; I175-R195 VanDerWaalsContact C-NH1 3.27Å; I175-R195 VanDerWaalsContact C-NH2 3.33Å; I175-R195 PolarHBondContact O-NH1 3.03Å; N188-R195 WeakPolarHBondContact OD1-CD 3.3Å; N188-R195 PolarHBondContact OD1-NH1 3.48Å; T189-R195 WeakPolarHBondContact O-CD 3.29Å; S192-R195 PolarHBondContact O-N 3.43Å; S192-R195 WeakPolarHBondContact OG-CB 3.47Å; S192-R195 PolarHBondContact OG-N 3.46Å; S192-R195 VanDerWaalsContact OG-N 3.13Å; R195-S197 VanDerWaalsContact C-N 3.34Å; R195-S197 PolarHBondContact O-N 3.44Å; R195-L198 PolarHBondContact O-N 3.2Å; R195-M199 HydrophobicContact CG-CG 4.26Å; R195-M199 HydrophobicContact CG-SD 3.79Å; R195-M199 WeakPolarHBondContact O-CB 3.48Å; R195-M199 VanDerWaalsContact O-CG 3.28Å; R195-M199 WeakPolarHBondContact O-CG 3.36Å; R195-M199 PolarHBondContact O-N 3.46Å
196R92Very high91.7Very high125 Ų12577.4 Ų77.447%0.47242%0.415SS..Hα-helixtrans-63.1-40.2-175.5-165.2177.5-60-179.52.6111.8E190 S192 V193 E194 R200E190-R196 PolarHBondContact O-NH2 3.42Å; E190-R196 VanDerWaalsContact O-NH2 3.13Å; S192-R196 WeakPolarHBondContact O-CB 3.46Å; S192-R196 PolarHBondContact O-N 3.29Å; V193-R196 PolarHBondContact O-N 3.39Å; E194-R196 PolarHBondContact O-N 3.21Å; R196-R200 WeakPolarHBondContact O-CB 3.45Å; R196-R200 VanDerWaalsContact O-CG 3.3Å; R196-R200 WeakPolarHBondContact O-CG 3.47Å; R196-R200 PolarHBondContact O-N 3.37Å; R196-R200 VanDerWaalsContact O-N 3.13Å
197S92.8Very high90.7Very high77 Ų7780.8 Ų80.854%0.53843%0.43SS..Hα-helixtrans-64-52.7174.5-171.90000111.6V193 E194 R195 M199 R200 L201V193-S197 WeakPolarHBondContact O-CB 3.36Å; V193-S197 PolarHBondContact O-N 3.07Å; E194-S197 PolarHBondContact O-N 3.25Å; R195-S197 VanDerWaalsContact C-N 3.34Å; R195-S197 PolarHBondContact O-N 3.44Å; S197-M199 VanDerWaalsContact C-N 3.34Å; S197-M199 PolarHBondContact O-N 3.43Å; S197-R200 PolarHBondContact O-N 3.31Å; S197-R200 VanDerWaalsContact O-N 3.15Å; S197-L201 PolarHBondContact O-N 3.25Å
198L92Very high89.8Confident60 Ų6084 Ų8431%0.31444%0.442SS..Hα-helixtrans-60.5-40.1179.9-69.7171.3000112.9L164 E194 R195 L201 A202L164-L198 HydrophobicContact CB-CD1 4.08Å; L164-L198 HydrophobicContact CD1-CD1 4.18Å; E194-L198 HydrophobicContact CG-CD1 4.32Å; E194-L198 WeakPolarHBondContact O-CG 3.14Å; E194-L198 PolarHBondContact O-N 3.02Å; R195-L198 PolarHBondContact O-N 3.2Å; L198-L201 PolarHBondContact O-N 2.95Å; L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 3.27Å
199M89.3Confident88.5Confident46 Ų4688.6 Ų88.623%0.22747%0.474CS..Hα-helixtrans-66.1-40.1176-72.9-176.7118.200112.5K174 R195 S197 A203K174-M199 HydrophobicContact CB-CE 3.77Å; K174-M199 HydrophobicContact CD-CE 4.06Å; K174-M199 VanDerWaalsContact O-CE 3.25Å; K174-M199 WeakPolarHBondContact O-CE 3.37Å; R195-M199 HydrophobicContact CG-CG 4.26Å; R195-M199 HydrophobicContact CG-SD 3.79Å; R195-M199 WeakPolarHBondContact O-CB 3.48Å; R195-M199 VanDerWaalsContact O-CG 3.28Å; R195-M199 WeakPolarHBondContact O-CG 3.36Å; R195-M199 PolarHBondContact O-N 3.46Å; S197-M199 VanDerWaalsContact C-N 3.34Å; S197-M199 PolarHBondContact O-N 3.43Å; M199-A203 WeakPolarHBondContact O-CB 3.47Å; M199-A203 PolarHBondContact O-N 3.12Å
200R90.8Very high87.2Confident177 Ų17796.5 Ų96.567%0.66850%0.499SS*.Hα-helixtrans-63.1-46.8174.1-77.2173.9174.4-175.2-3.3111.1R196 S197 A202 A203 M204R196-R200 WeakPolarHBondContact O-CB 3.45Å; R196-R200 VanDerWaalsContact O-CG 3.3Å; R196-R200 WeakPolarHBondContact O-CG 3.47Å; R196-R200 PolarHBondContact O-N 3.37Å; R196-R200 VanDerWaalsContact O-N 3.13Å; S197-R200 PolarHBondContact O-N 3.31Å; S197-R200 VanDerWaalsContact O-N 3.15Å; R200-A202 VanDerWaalsContact C-N 3.34Å; R200-A202 PolarHBondContact O-N 3.46Å; R200-A203 PolarHBondContact O-N 3.13Å; R200-M204 WeakPolarHBondContact O-CG 3.25Å; R200-M204 PolarHBondContact O-N 3.15Å
201L90.8Very high85.8Confident123 Ų12397.8 Ų97.864%0.64451%0.505SS*.Hα-helixtrans-60-43.9178.1-174.460.6000111.9S197 L198 A203 M204 G205S197-L201 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 2.95Å; L201-A203 PolarHBondContact O-N 3.42Å; L201-M204 PolarHBondContact O-N 2.95Å; L201-G205 PolarHBondContact O-N 3.21Å
202A87.3Confident84.4Confident52 Ų5296 Ų9643%0.4350%0.5SS..Hα-helixtrans-62.8-39.2175.500000112.8L198 R200 G205 A206L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 3.27Å; R200-A202 VanDerWaalsContact C-N 3.34Å; R200-A202 PolarHBondContact O-N 3.46Å; A202-G205 PolarHBondContact O-N 3.19Å; A202-A206 PolarHBondContact O-N 3.44Å; A202-A206 VanDerWaalsContact O-N 3.12Å
203A88.4Confident82.9Confident56 Ų56100.1 Ų100.146%0.46353%0.529SS..Hα-helixtrans-65.1-43.1175.200000112M199 R200 L201 G205 A206 L207M199-A203 WeakPolarHBondContact O-CB 3.47Å; M199-A203 PolarHBondContact O-N 3.12Å; R200-A203 PolarHBondContact O-N 3.13Å; L201-A203 PolarHBondContact O-N 3.42Å; A203-G205 PolarHBondContact O-N 2.92Å; A203-A206 PolarHBondContact O-N 2.97Å; A203-L207 PolarHBondContact O-N 2.92Å
204M88.7Confident81.3Confident116 Ų11699.5 Ų99.557%0.57153%0.53SS*.Hα-helixtrans-63-40.3176-66.5-61.3-75.200112.1R200 L201 A206 L207 R208R200-M204 WeakPolarHBondContact O-CG 3.25Å; R200-M204 PolarHBondContact O-N 3.15Å; L201-M204 PolarHBondContact O-N 2.95Å; M204-A206 VanDerWaalsContact C-N 3.34Å; M204-A206 PolarHBondContact O-N 2.71Å; M204-L207 PolarHBondContact O-N 3.39Å; M204-L207 HydrophobicContact SD-CD1 4.4Å; M204-R208 PolarHBondContact O-N 3.27Å
205G87Confident79.5Confident38 Ų38104 Ų10439%0.39255%0.548SS..Hα-helixtrans-61.1-39.5173.800000113.3L201 A202 A203 L207 R208 S209L201-G205 PolarHBondContact O-N 3.21Å; A202-G205 PolarHBondContact O-N 3.19Å; A203-G205 PolarHBondContact O-N 2.92Å; G205-L207 VanDerWaalsContact C-N 3.31Å; G205-L207 PolarHBondContact O-N 2.85Å; G205-R208 PolarHBondContact O-N 2.8Å; G205-S209 PolarHBondContact O-N 3.08Å
206A82.3Confident77.7Confident50 Ų50111.2 Ų111.241%0.41358%0.58SS.*Hα-helixtrans-70.1-23178.100000114.1A202 A203 M204 S209 R210A202-A206 PolarHBondContact O-N 3.44Å; A202-A206 VanDerWaalsContact O-N 3.12Å; A203-A206 PolarHBondContact O-N 2.97Å; M204-A206 VanDerWaalsContact C-N 3.34Å; M204-A206 PolarHBondContact O-N 2.71Å; A206-S209 PolarHBondContact O-OG 3.16Å; A206-R210 WeakPolarHBondContact O-CG 3.31Å
207L77.9Confident75.9Confident112 Ų112114.4 Ų114.459%0.58660%0.598SS**Hα-helixtrans-76.4-41.3171.2-67.6172.4000111.3A203 M204 G205 S209 R210A203-L207 PolarHBondContact O-N 2.92Å; M204-L207 PolarHBondContact O-N 3.39Å; M204-L207 HydrophobicContact SD-CD1 4.4Å; G205-L207 VanDerWaalsContact C-N 3.31Å; G205-L207 PolarHBondContact O-N 2.85Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 2.74Å; L207-R210 PolarHBondContact O-N 3.13Å
208R77.7Confident73.9Confident206 Ų206119.7 Ų119.778%0.77761%0.613SS**Hα-helixtrans-61.7-38.5177.5-71.8-177.3174.2-172.4-1.6112.7M204 G205 R210 Q211M204-R208 PolarHBondContact O-N 3.27Å; G205-R208 PolarHBondContact O-N 2.8Å; R208-R210 VanDerWaalsContact C-N 3.27Å; R208-R210 PolarHBondContact O-N 3.37Å; R208-Q211 PolarHBondContact O-N 3.28Å
209S71.6Confident72Confident98 Ų98123.8 Ų123.869%0.68564%0.635SS**THydrogen-bonded Turntrans-74.1-12.9178.762.50000114.8G205 A206 L207G205-S209 PolarHBondContact O-N 3.08Å; A206-S209 PolarHBondContact O-OG 3.16Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 2.74Å
210R67.8Low70.1Confident212 Ų212127.4 Ų127.480%0.866%0.659SS**THydrogen-bonded Turntrans-91.9-8.4176.5-76.9177.5168.1-112.1-1.8114.1A206 L207 R208A206-R210 WeakPolarHBondContact O-CG 3.31Å; L207-R210 PolarHBondContact O-N 3.13Å; R208-R210 VanDerWaalsContact C-N 3.27Å; R208-R210 PolarHBondContact O-N 3.37Å
211Q61.8Low67.9Low143 Ų143127.8 Ų127.867%0.66867%0.666SS**SBendtrans-65.9128.7173.4-74.2-67.9-12.200109.8R208 S213R208-Q211 PolarHBondContact O-N 3.28Å; Q211-S213 PolarHBondContact O-N 3.33Å
212P62.3Low65.8Low84 Ų84127.1 Ų127.155%0.54567%0.669SS.*  trans-61.9135.5-179.625-33.2000110.5S214P212-S214 PolarHBondContact O-N 3.06Å
213S60.5Low63.6Low103 Ų103129 Ų12972%0.7268%0.677SS**G310 helixtrans-61.6-11-176.553.90000114.4Q211 F215 K216Q211-S213 PolarHBondContact O-N 3.33Å; S213-F215 VanDerWaalsContact C-N 3.26Å; S213-F215 PolarHBondContact O-N 3.12Å; S213-K216 PolarHBondContact O-N 2.92Å
214S58.2Low61.8Low103 Ų103131.6 Ų131.672%0.7269%0.691SS**G310 helixtrans-64.9-18-178.4-52.90000115.3P212 K216P212-S214 PolarHBondContact O-N 3.06Å; S214-K216 VanDerWaalsContact C-N 3.35Å
215F55.9Low59.9Low180 Ų180135.3 Ų135.379%0.78971%0.707SS**G310 helixtrans-81.8-6.8176.3-108.5-87.9000114.6S213 K217S213-F215 VanDerWaalsContact C-N 3.26Å; S213-F215 PolarHBondContact O-N 3.12Å; F215-K217 PolarHBondContact O-N 3.14Å; F215-K217 VanDerWaalsContact O-N 3.12Å
216K57.5Low58.1Low174 Ų174137.5 Ų137.576%0.75771%0.713SS**G310 helixtrans-73.12.4-175.3-96.6-179.2170.7-177.90116.3S213 S214S213-K216 PolarHBondContact O-N 2.92Å; S214-K216 VanDerWaalsContact C-N 3.35Å
217K54.4Low56.7Low193 Ų193140.2 Ų140.284%0.83972%0.72SS**G310 helixtrans-99.2-4.6-175.3-66.8-171.2177.9-175.80115.7F215F215-K217 PolarHBondContact O-N 3.14Å; F215-K217 VanDerWaalsContact O-N 3.12Å
218H50.4Low55.7Low187 Ų187139.7 Ų139.787%0.86672%0.723SS**SBendtrans-128.23.5171.4-92.9-73.4000114.2V220H218-V220 PolarHBondContact O-N 3.39Å
219L50.7Low54.9Low146 Ų146136.6 Ų136.676%0.76472%0.718SS**  trans-82.499.1170.3-165.864.2000108.7
220V50.7Low54.7Low122 Ų122134 Ų13474%0.73970%0.697SS**  trans-47.6142.6167.2176.20000109H218H218-V220 PolarHBondContact O-N 3.39Å
221K44.9Very low54.9Low186 Ų186125.4 Ų125.481%0.80967%0.666SS**  trans-36.8121.6173.6-170.8-178.9-175.9-173.40109
222P45Very low55.9Low109 Ų109123.6 Ų123.671%0.70866%0.656SS**PPolyproline II helixtrans-57.7131-179.524.8-32.8000107.7
223P42.4Very low56.9Low92 Ų92121.1 Ų121.160%0.59764%0.639SS**PPolyproline II helixtrans-58.1155.916926.3-32.8000108.9
224S50.3Low58.2Low110 Ų110124.3 Ų124.377%0.76964%0.635SS**SBendtrans-50.715517338.50000111.3T226S224-T226 VanDerWaalsContact C-N 3.27Å; S224-T226 PolarHBondContact O-N 3.11Å
225E48.3Very low59.6Low193 Ų193124.4 Ų124.490%0.90262%0.624SS**  trans-52.566.1-159.7-54.9-171.8132.700117L227E225-L227 PolarHBondContact O-N 2.76Å; E225-L227 VanDerWaalsContact O-N 3.07Å
226T48.9Very low61.2Low85 Ų85115.9 Ų115.952%0.52159%0.587SS.*  trans-76.596161.944.20000108.3S224S224-T226 VanDerWaalsContact C-N 3.27Å; S224-T226 PolarHBondContact O-N 3.11Å
227L53.1Low62.8Low107 Ų107111.3 Ų111.356%0.5657%0.57SS**  trans-47.5125.7-175.9-85154.2000111.7E225 H229 V230E225-L227 PolarHBondContact O-N 2.76Å; E225-L227 VanDerWaalsContact O-N 3.07Å; L227-H229 PolarHBondContact O-N 2.9Å; L227-V230 HydrophobicContact CB-CG2 4.07Å; L227-V230 WeakPolarHBondContact O-CG2 3.47Å; L227-V230 PolarHBondContact O-N 3.04Å
228P57.9Low64.5Low100 Ų100106.7 Ų106.765%0.64955%0.552SS**THydrogen-bonded Turntrans-59.3-3.9174.4-25.634.8000115.1
229H60.2Low66.4Low142 Ų14298.8 Ų98.866%0.65752%0.519SS*.THydrogen-bonded Turntrans-91.8-16.2178.1-66.2-61.2000113.9L227 F231 F232L227-H229 PolarHBondContact O-N 2.9Å; H229-F231 VanDerWaalsContact C-N 3.3Å; H229-F231 PolarHBondContact O-N 3.37Å; H229-F232 PolarHBondContact O-N 2.79Å
230V67.8Low68.4Low42 Ų4292.9 Ų92.926%0.25549%0.489SS..THydrogen-bonded Turntrans-57-41.1-177.3167.50000112.4L227 F232 T233 L337L227-V230 HydrophobicContact CB-CG2 4.07Å; L227-V230 WeakPolarHBondContact O-CG2 3.47Å; L227-V230 PolarHBondContact O-N 3.04Å; V230-F232 VanDerWaalsContact C-N 3.32Å; V230-F232 PolarHBondContact O-N 2.98Å; V230-T233 VanDerWaalsContact O-CG2 3.28Å; V230-T233 WeakPolarHBondContact O-CG2 3.33Å; V230-L337 HydrophobicContact CB-CD1 4.39Å; V230-L337 HydrophobicContact CG1-CD1 3.43Å; V230-L337 VanDerWaalsContact CG1-CD1 3.43Å; V230-L337 HydrophobicContact CG2-CD1 4.13Å
231F72.7Confident70.5Confident33 Ų3389.1 Ų89.115%0.14547%0.471CS..THydrogen-bonded Turntrans-83.7-3.5-179.2-59.2-73.2000114.4H229 V276 A280 A283H229-F231 VanDerWaalsContact C-N 3.3Å; H229-F231 PolarHBondContact O-N 3.37Å; F231-V276 HydrophobicContact CB-CG1 4.1Å; F231-A280 HydrophobicContact CD1-CB 3.93Å; F231-A280 HydrophobicContact CD2-CB 3.56Å; F231-A280 HydrophobicContact CE1-CB 3.95Å; F231-A280 HydrophobicContact CE2-CB 3.57Å; F231-A280 HydrophobicContact CG-CB 3.75Å; F231-A280 HydrophobicContact CZ-CB 3.78Å; F231-A283 HydrophobicContact CE1-CB 4.02Å; F231-A283 HydrophobicContact CZ-CB 3.94Å
232F81.3Confident72.8Confident104 Ų10483.6 Ų83.646%0.45646%0.456SS..  trans-106.352.2176.7-73.6-80.1000110.6H229 V230H229-F232 PolarHBondContact O-N 2.79Å; V230-F232 VanDerWaalsContact C-N 3.32Å; V230-F232 PolarHBondContact O-N 2.98Å
233T84.6Confident75.1Confident32 Ų3279.2 Ų79.220%0.19643%0.427CS..  trans-67164.4171.978.70000111V230 E235 V236 I237 A333V230-T233 VanDerWaalsContact O-CG2 3.28Å; V230-T233 WeakPolarHBondContact O-CG2 3.33Å; T233-E235 WeakPolarHBondContact CB-OE2 3.5Å; T233-E235 PolarHBondContact O-N 3.12Å; T233-E235 PolarHBondContact OG1-OE2 3.46Å; T233-V236 PolarHBondContact O-N 3.46Å; T233-V236 PolarHBondContact OG1-N 2.98Å; T233-I237 WeakPolarHBondContact O-CG1 3.1Å; T233-I237 PolarHBondContact O-N 3.46Å; T233-A333 HydrophobicContact CG2-CB 3.5Å
234W87.3Confident77.6Confident170 Ų17077 Ų7764%0.64441%0.41SS*.Hα-helixtrans-58.2-39.5178.8-177.5-101.5000111.6V236 I237 E238W234-V236 PolarHBondContact O-N 3.26Å; W234-I237 PolarHBondContact O-N 3.3Å; W234-E238 HydrophobicContact CD2-CG 4.49Å; W234-E238 HydrophobicContact CZ2-CG 4.26Å; W234-E238 PolarHBondContact NE1-OE1 3.37Å; W234-E238 WeakPolarHBondContact O-CB 3.22Å; W234-E238 WeakPolarHBondContact O-CG 3.28Å; W234-E238 PolarHBondContact O-N 3.31Å
235E87.5Confident79.8Confident105 Ų10576.9 Ų76.949%0.49140%0.4SS..Hα-helixtrans-65.6-39.6179.4-54.271.4-155.200111.9T233 A239 A329T233-E235 WeakPolarHBondContact CB-OE2 3.5Å; T233-E235 PolarHBondContact O-N 3.12Å; T233-E235 PolarHBondContact OG1-OE2 3.46Å; E235-A239 VanDerWaalsContact O-CB 3.23Å; E235-A239 WeakPolarHBondContact O-CB 3.39Å; E235-A239 PolarHBondContact O-N 3.28Å; E235-A329 HydrophobicContact CB-CB 4.04Å
236V89Confident82Confident1 Ų170.4 Ų70.41%0.00638%0.38CS..Hα-helixtrans-67.5-38.3174.9176.10000110.8T233 W234 T240 V276 A329 A330T233-V236 PolarHBondContact O-N 3.46Å; T233-V236 PolarHBondContact OG1-N 2.98Å; W234-V236 PolarHBondContact O-N 3.26Å; V236-T240 VanDerWaalsContact O-CB 3.31Å; V236-T240 WeakPolarHBondContact O-CB 3.34Å; V236-T240 PolarHBondContact O-N 3.29Å; V236-T240 PolarHBondContact O-OG1 3.4Å; V236-V276 HydrophobicContact CG1-CG2 3.76Å; V236-A329 HydrophobicContact CG2-CB 4.21Å; V236-A330 HydrophobicContact CG2-CB 4.14Å
237I90.4Very high84.1Confident78 Ų7869 Ų6940%0.437%0.367SS..Hα-helixtrans-67.2-46.5176.2-66166.3000110.8T233 W234 T240 A241T233-I237 WeakPolarHBondContact O-CG1 3.1Å; T233-I237 PolarHBondContact O-N 3.46Å; W234-I237 PolarHBondContact O-N 3.3Å; I237-T240 PolarHBondContact O-N 3.2Å; I237-A241 WeakPolarHBondContact O-CB 3.39Å; I237-A241 PolarHBondContact O-N 3.34Å
238E91.3Very high86Confident96 Ų9665.4 Ų65.445%0.44935%0.353SS..Hα-helixtrans-61.4-44.5176.2-78.1-171.6151.100112.1W234 A241 S242W234-E238 HydrophobicContact CD2-CG 4.49Å; W234-E238 HydrophobicContact CZ2-CG 4.26Å; W234-E238 PolarHBondContact NE1-OE1 3.37Å; W234-E238 WeakPolarHBondContact O-CB 3.22Å; W234-E238 WeakPolarHBondContact O-CG 3.28Å; W234-E238 PolarHBondContact O-N 3.31Å; E238-A241 PolarHBondContact O-N 2.68Å; E238-S242 WeakPolarHBondContact O-CB 3.45Å; E238-S242 PolarHBondContact O-N 3.16Å; E238-S242 PolarHBondContact O-OG 3.15Å
239A89.9Confident87.7Confident22 Ų2264.9 Ų64.918%0.18235%0.345CS..Hα-helixtrans-64.8-40.6177.200000111.4E235 S242 C243 V326E235-A239 VanDerWaalsContact O-CB 3.23Å; E235-A239 WeakPolarHBondContact O-CB 3.39Å; E235-A239 PolarHBondContact O-N 3.28Å; A239-S242 PolarHBondContact O-N 3.32Å; A239-C243 PolarHBondContact O-N 2.83Å; A239-C243 PolarHBondContact O-SG 3.49Å; A239-V326 HydrophobicContact CB-CB 4.42Å; A239-V326 HydrophobicContact CB-CG2 3.68Å
240T92.3Very high89.3Confident22 Ų2260.6 Ų60.614%0.13533%0.325CS..Hα-helixtrans-61.1-49.6173.7-59.50000111.4V236 I237 S242 C243 L244 F269 T272V236-T240 VanDerWaalsContact O-CB 3.31Å; V236-T240 WeakPolarHBondContact O-CB 3.34Å; V236-T240 PolarHBondContact O-N 3.29Å; V236-T240 PolarHBondContact O-OG1 3.4Å; I237-T240 PolarHBondContact O-N 3.2Å; T240-S242 VanDerWaalsContact C-N 3.31Å; T240-S242 PolarHBondContact O-N 3.05Å; T240-C243 PolarHBondContact O-N 3.25Å; T240-L244 HydrophobicContact CG2-CD1 4.41Å; T240-L244 WeakPolarHBondContact O-CG 3.29Å; T240-L244 PolarHBondContact O-N 3.48Å; T240-L244 VanDerWaalsContact O-N 3.08Å; T240-F269 HydrophobicContact CG2-CD2 4.3Å; T240-F269 HydrophobicContact CG2-CE2 4.34Å; T240-T272 HydrophobicContact CG2-CG2 3.81Å; T240-T272 WeakPolarHBondContact OG1-CG2 3.35Å
241A94.9Very high90.5Very high43 Ų4358.7 Ų58.736%0.35531%0.314SS..Hα-helixtrans-60.7-40.7178.100000111.8I237 E238 L244 L245I237-A241 WeakPolarHBondContact O-CB 3.39Å; I237-A241 PolarHBondContact O-N 3.34Å; E238-A241 PolarHBondContact O-N 2.68Å; A241-L244 PolarHBondContact O-N 3.38Å; A241-L245 WeakPolarHBondContact O-CG 3.46Å; A241-L245 PolarHBondContact O-N 3.33Å
242S94Very high91.4Very high70 Ų7063.5 Ų63.549%0.4934%0.337SS..Hα-helixtrans-63.2-40.6176.9-59.10000112.4E238 A239 T240 A246E238-S242 WeakPolarHBondContact O-CB 3.45Å; E238-S242 PolarHBondContact O-N 3.16Å; E238-S242 PolarHBondContact O-OG 3.15Å; A239-S242 PolarHBondContact O-N 3.32Å; T240-S242 VanDerWaalsContact C-N 3.31Å; T240-S242 PolarHBondContact O-N 3.05Å; S242-A246 WeakPolarHBondContact O-CB 3.43Å; S242-A246 PolarHBondContact O-N 3.22Å
243C92.7Very high92.1Very high16 Ų1666.1 Ų66.111%0.10834%0.344CS..Hα-helixtrans-62.9-42.2173.5-75.40000112.2A239 T240 Q247 E268A239-C243 PolarHBondContact O-N 2.83Å; A239-C243 PolarHBondContact O-SG 3.49Å; T240-C243 PolarHBondContact O-N 3.25Å; C243-Q247 WeakPolarHBondContact O-CG 3.43Å; C243-Q247 PolarHBondContact O-N 2.95Å; C243-E268 HydrophobicContact CB-CG 4.25Å
244L95.6Very high92.5Very high45 Ų4571.9 Ų71.924%0.23636%0.362CS..Hα-helixtrans-67.3-43.8178.1-64176.7000112.4T240 A241 Q247 A248 L265 E268 F269T240-L244 HydrophobicContact CG2-CD1 4.41Å; T240-L244 WeakPolarHBondContact O-CG 3.29Å; T240-L244 PolarHBondContact O-N 3.48Å; T240-L244 VanDerWaalsContact O-N 3.08Å; A241-L244 PolarHBondContact O-N 3.38Å; L244-Q247 PolarHBondContact O-N 3.07Å; L244-A248 PolarHBondContact O-N 3.23Å; L244-L265 WeakPolarHBondContact CD2-O 3.5Å; L244-L265 WeakPolarHBondContact O-CD2 3.39Å; L244-E268 HydrophobicContact CD2-CB 4.29Å; L244-F269 HydrophobicContact CD1-CD2 4.08Å; L244-F269 HydrophobicContact CD2-CB 3.87Å
245L95.2Very high92.8Very high109 Ų10971 Ų7157%0.57137%0.37SS*.Hα-helixtrans-62.2-43.8176.6-71170.3000111.5A241 Q247 A248 D249A241-L245 WeakPolarHBondContact O-CG 3.46Å; A241-L245 PolarHBondContact O-N 3.33Å; L245-Q247 VanDerWaalsContact C-N 3.26Å; L245-Q247 PolarHBondContact O-N 3.47Å; L245-A248 WeakPolarHBondContact O-CB 3.03Å; L245-A248 PolarHBondContact O-N 3.11Å; L245-A248 VanDerWaalsContact O-N 3.08Å; L245-D249 PolarHBondContact O-N 2.83Å
246A94.6Very high93Very high57 Ų5768.2 Ų68.247%0.47136%0.358SS..Hα-helixtrans-61.4-33.5176.700000113.3S242 E250S242-A246 WeakPolarHBondContact O-CB 3.43Å; S242-A246 PolarHBondContact O-N 3.22Å; A246-E250 WeakPolarHBondContact O-CB 3.47Å; A246-E250 PolarHBondContact O-N 3.26Å
247Q93.7Very high93.3Very high54 Ų5472 Ų7225%0.25238%0.383SS..Hα-helixtrans-75.5-33.9173.4-68.3-72.413.900112.5C243 L244 L245 E250 A251 I264 L265 E268C243-Q247 WeakPolarHBondContact O-CG 3.43Å; C243-Q247 PolarHBondContact O-N 2.95Å; L244-Q247 PolarHBondContact O-N 3.07Å; L245-Q247 VanDerWaalsContact C-N 3.26Å; L245-Q247 PolarHBondContact O-N 3.47Å; Q247-E250 PolarHBondContact O-N 3.4Å; Q247-A251 VanDerWaalsContact O-CB 3.25Å; Q247-A251 WeakPolarHBondContact O-CB 3.16Å; Q247-A251 PolarHBondContact O-N 3.31Å; Q247-I264 HydrophobicContact CB-CG2 4.17Å; Q247-L265 HydrophobicContact CB-CD2 4.05Å; Q247-E268 HydrophobicContact CG-CB 3.83Å; Q247-E268 HydrophobicContact CG-CG 3.77Å; Q247-E268 PolarHBondContact NE2-OE2 3.48Å
248A93.9Very high93.4Very high33 Ų3373.1 Ų73.127%0.27340%0.395SS..Hα-helixtrans-61.6-51.1172.700000110.6L244 L245 E250 A251 E252 L265L244-A248 PolarHBondContact O-N 3.23Å; L245-A248 WeakPolarHBondContact O-CB 3.03Å; L245-A248 PolarHBondContact O-N 3.11Å; L245-A248 VanDerWaalsContact O-N 3.08Å; A248-E250 VanDerWaalsContact C-N 3.3Å; A248-E250 PolarHBondContact O-N 3.22Å; A248-A251 PolarHBondContact O-N 2.99Å; A248-A251 VanDerWaalsContact O-N 3.11Å; A248-E252 WeakPolarHBondContact O-CB 3.42Å; A248-E252 PolarHBondContact O-N 3.33Å; A248-L265 HydrophobicContact CB-CD2 4.05Å
249D94Very high93.5Very high88 Ų8872 Ų7247%0.47140%0.402SS..Hα-helixtrans-60.6-35.9178.5-66.7-4.6000112.5L245 R253L245-D249 PolarHBondContact O-N 2.83Å; D249-R253 WeakPolarHBondContact O-CB 3.41Å; D249-R253 WeakPolarHBondContact O-CG 3.29Å; D249-R253 PolarHBondContact O-N 3.12Å; D249-R253 PolarHBondContact O-NE 3.14Å
250E93.3Very high93.6Very high53 Ų5372.5 Ų72.525%0.24841%0.406CS..Hα-helixtrans-72.9-36.8174.7-178.468.5-13900112.4A246 Q247 A248 R253 R254A246-E250 WeakPolarHBondContact O-CB 3.47Å; A246-E250 PolarHBondContact O-N 3.26Å; Q247-E250 PolarHBondContact O-N 3.4Å; A248-E250 VanDerWaalsContact C-N 3.3Å; A248-E250 PolarHBondContact O-N 3.22Å; E250-R253 VanDerWaalsContact CD-NH1 3.27Å; E250-R253 IonicContact OE1-NH1 3.41Å; E250-R253 PolarHBondContact OE1-NH1 2.97Å; E250-R253 IonicContact OE2-CZ 3.19Å; E250-R253 IonicContact OE2-NH1 2.83Å; E250-R253 PolarHBondContact OE2-NH1 2.86Å; E250-R253 IonicContact OE2-NH2 2.67Å; E250-R253 PolarHBondContact OE2-NH2 3.06Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.46Å; E250-R254 PolarHBondContact O-N 3.15Å; E250-R254 IonicContact OE1-CZ 2.73Å; E250-R254 IonicContact OE1-NE 3.4Å; E250-R254 PolarHBondContact OE1-NE 2.8Å; E250-R254 IonicContact OE1-NH2 3.29Å; E250-R254 PolarHBondContact OE1-NH2 3.49Å
251A93.4Very high93.7Very high2 Ų274.6 Ų74.62%0.01741%0.414CS..Hα-helixtrans-72.2-35.5177.400000112.2Q247 A248 R254 L256 Q261 I264Q247-A251 VanDerWaalsContact O-CB 3.25Å; Q247-A251 WeakPolarHBondContact O-CB 3.16Å; Q247-A251 PolarHBondContact O-N 3.31Å; A248-A251 PolarHBondContact O-N 2.99Å; A248-A251 VanDerWaalsContact O-N 3.11Å; A251-R254 PolarHBondContact O-N 2.92Å; A251-L256 HydrophobicContact CB-CD1 4.14Å; A251-L256 PolarHBondContact O-N 2.97Å; A251-Q261 HydrophobicContact CB-CB 4.3Å; A251-Q261 HydrophobicContact CB-CG 4.08Å; A251-I264 HydrophobicContact CB-CD1 4.4Å
252E91.4Very high93.6Very high133 Ų13378.4 Ų78.462%0.62143%0.425SS*.Hα-helixtrans-67.4-48172.2-174173.1-154.600111A248 R254 D255A248-E252 WeakPolarHBondContact O-CB 3.42Å; A248-E252 PolarHBondContact O-N 3.33Å; E252-R254 PolarHBondContact O-N 3.39Å; E252-D255 PolarHBondContact O-N 3.09Å
253R94.7Very high93.6Very high160 Ų16082.9 Ų82.960%0.60443%0.431SS*.THydrogen-bonded Turntrans-61-12.1174.7-82-171.5-69.4100.4-5.1115.3D249 E250D249-R253 WeakPolarHBondContact O-CB 3.41Å; D249-R253 WeakPolarHBondContact O-CG 3.29Å; D249-R253 PolarHBondContact O-N 3.12Å; D249-R253 PolarHBondContact O-NE 3.14Å; E250-R253 VanDerWaalsContact CD-NH1 3.27Å; E250-R253 IonicContact OE1-NH1 3.41Å; E250-R253 PolarHBondContact OE1-NH1 2.97Å; E250-R253 IonicContact OE2-CZ 3.19Å; E250-R253 IonicContact OE2-NH1 2.83Å; E250-R253 PolarHBondContact OE2-NH1 2.86Å; E250-R253 IonicContact OE2-NH2 2.67Å; E250-R253 PolarHBondContact OE2-NH2 3.06Å
254R94.2Very high93.7Very high153 Ų15384.1 Ų84.158%0.57744%0.436SS*.THydrogen-bonded Turntrans-100.63.3175.1-73.3177.3-169.9-1687113.1E250 A251 E252 L256E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.46Å; E250-R254 PolarHBondContact O-N 3.15Å; E250-R254 IonicContact OE1-CZ 2.73Å; E250-R254 IonicContact OE1-NE 3.4Å; E250-R254 PolarHBondContact OE1-NE 2.8Å; E250-R254 IonicContact OE1-NH2 3.29Å; E250-R254 PolarHBondContact OE1-NH2 3.49Å; A251-R254 PolarHBondContact O-N 2.92Å; E252-R254 PolarHBondContact O-N 3.39Å; R254-L256 HydrophobicContact CB-CD1 4.17Å; R254-L256 HydrophobicContact CB-CD2 4.14Å; R254-L256 HydrophobicContact CB-CG 3.7Å; R254-L256 PolarHBondContact O-N 2.91Å; R254-L256 VanDerWaalsContact O-N 3.15Å
255D92.9Very high93.7Very high152 Ų15284.5 Ų84.581%0.81344%0.438SS*.THydrogen-bonded Turntrans48.438.5-176-70.8-57.5000112.8E252E252-D255 PolarHBondContact O-N 3.09Å
256L92.9Very high93.7Very high45 Ų4584.4 Ų84.424%0.23644%0.437CS..  trans-70.7144.8-176.8-65.3179.5000111.1A251 R254 A260 Q261 I264A251-L256 HydrophobicContact CB-CD1 4.14Å; A251-L256 PolarHBondContact O-N 2.97Å; R254-L256 HydrophobicContact CB-CD1 4.17Å; R254-L256 HydrophobicContact CB-CD2 4.14Å; R254-L256 HydrophobicContact CB-CG 3.7Å; R254-L256 PolarHBondContact O-N 2.91Å; R254-L256 VanDerWaalsContact O-N 3.15Å; L256-A260 HydrophobicContact CB-CB 4.25Å; L256-Q261 HydrophobicContact CB-CG 4.01Å; L256-Q261 PolarHBondContact O-NE2 2.89Å; L256-I264 HydrophobicContact CD1-CD1 3.38Å
257P93.6Very high93.6Very high82 Ų8285.6 Ų85.653%0.53243%0.433SS..  trans-62.7149.1175.326.8-34.3000110.6A259 A260 Q261P257-A259 VanDerWaalsContact C-N 3.27Å; P257-A259 PolarHBondContact O-N 3.45Å; P257-A260 HydrophobicContact CG-CB 3.93Å; P257-A260 WeakPolarHBondContact O-CA 3.42Å; P257-A260 WeakPolarHBondContact O-CB 3.47Å; P257-A260 PolarHBondContact O-N 3.15Å; P257-Q261 PolarHBondContact O-N 2.79Å; P257-Q261 VanDerWaalsContact O-N 3.17Å
258P92.6Very high93.7Very high101 Ų10183.8 Ų83.866%0.65643%0.425SS*.Hα-helixtrans-51.9-38.8-172.1-31.236000115.1A260 Q261 E262P258-A260 VanDerWaalsContact C-N 3.28Å; P258-A260 PolarHBondContact O-N 3.12Å; P258-Q261 WeakPolarHBondContact O-CB 3.48Å; P258-Q261 PolarHBondContact O-N 3.37Å; P258-E262 WeakPolarHBondContact O-CB 3.46Å; P258-E262 PolarHBondContact O-N 3.23Å
259A93.4Very high93.8Very high73 Ų7386.5 Ų86.560%0.60343%0.431SS*.Hα-helixtrans-65.3-27.6177.100000113.9P257 R263P257-A259 VanDerWaalsContact C-N 3.27Å; P257-A259 PolarHBondContact O-N 3.45Å; A259-R263 WeakPolarHBondContact O-CB 3.24Å; A259-R263 PolarHBondContact O-N 3.44Å
260A93.5Very high93.8Very high31 Ų3183.7 Ų83.726%0.25642%0.422SS..Hα-helixtrans-80.5-35.8173.600000111.7L256 P257 P258 R263 I264L256-A260 HydrophobicContact CB-CB 4.25Å; P257-A260 HydrophobicContact CG-CB 3.93Å; P257-A260 WeakPolarHBondContact O-CA 3.42Å; P257-A260 WeakPolarHBondContact O-CB 3.47Å; P257-A260 PolarHBondContact O-N 3.15Å; P258-A260 VanDerWaalsContact C-N 3.28Å; P258-A260 PolarHBondContact O-N 3.12Å; A260-R263 PolarHBondContact O-N 3.01Å; A260-I264 WeakPolarHBondContact O-CG1 3.19Å; A260-I264 PolarHBondContact O-N 2.89Å
261Q92.9Very high93.8Very high66 Ų6687.3 Ų87.331%0.30843%0.434SS..Hα-helixtrans-60.7-51.2171.9-56.5-179.2-1.300110.6A251 L256 P257 P258 R263 I264 L265A251-Q261 HydrophobicContact CB-CB 4.3Å; A251-Q261 HydrophobicContact CB-CG 4.08Å; L256-Q261 HydrophobicContact CB-CG 4.01Å; L256-Q261 PolarHBondContact O-NE2 2.89Å; P257-Q261 PolarHBondContact O-N 2.79Å; P257-Q261 VanDerWaalsContact O-N 3.17Å; P258-Q261 WeakPolarHBondContact O-CB 3.48Å; P258-Q261 PolarHBondContact O-N 3.37Å; Q261-R263 VanDerWaalsContact C-N 3.32Å; Q261-R263 PolarHBondContact O-N 3.14Å; Q261-I264 PolarHBondContact O-N 3.5Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 2.93Å
262E93.7Very high93.8Very high124 Ų12487.2 Ų87.258%0.57943%0.433SS*.Hα-helixtrans-55-46.7176.2-178.4179.6-170.100111.5P258 I264 L265 L266P258-E262 WeakPolarHBondContact O-CB 3.46Å; P258-E262 PolarHBondContact O-N 3.23Å; E262-I264 PolarHBondContact O-N 2.94Å; E262-L265 PolarHBondContact O-N 3.35Å; E262-L266 HydrophobicContact CG-CD1 3.98Å; E262-L266 HydrophobicContact CG-CG 4.5Å; E262-L266 WeakPolarHBondContact O-CG 3.23Å; E262-L266 PolarHBondContact O-N 3.06Å
263R94.5Very high93.8Very high163 Ų16383.7 Ų83.762%0.61542%0.418SS*.Hα-helixtrans-59-45.8177.5179.8178.6168168.5-0.3112.6A259 A260 Q261 L265 L266 E267A259-R263 WeakPolarHBondContact O-CB 3.24Å; A259-R263 PolarHBondContact O-N 3.44Å; A260-R263 PolarHBondContact O-N 3.01Å; Q261-R263 VanDerWaalsContact C-N 3.32Å; Q261-R263 PolarHBondContact O-N 3.14Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.08Å; R263-L266 PolarHBondContact O-N 3.22Å; R263-E267 HydrophobicContact CG-CG 4.5Å; R263-E267 IonicContact CZ-OE1 3.23Å; R263-E267 VanDerWaalsContact CZ-OE1 3.26Å; R263-E267 IonicContact NE-OE1 2.8Å; R263-E267 PolarHBondContact NE-OE1 3.01Å; R263-E267 IonicContact NH2-OE1 3.69Å; R263-E267 PolarHBondContact NH2-OE1 2.97Å; R263-E267 WeakPolarHBondContact O-CB 3.3Å; R263-E267 WeakPolarHBondContact O-CG 3.35Å; R263-E267 PolarHBondContact O-N 3.03Å
264I93.8Very high93.6Very high43 Ų4382.3 Ų82.322%0.22142%0.419CS..Hα-helixtrans-63.1-42179.5-71.2166.3000110.9Q247 A251 L256 A260 Q261 E262 E267 E268Q247-I264 HydrophobicContact CB-CG2 4.17Å; A251-I264 HydrophobicContact CB-CD1 4.4Å; L256-I264 HydrophobicContact CD1-CD1 3.38Å; A260-I264 WeakPolarHBondContact O-CG1 3.19Å; A260-I264 PolarHBondContact O-N 2.89Å; Q261-I264 PolarHBondContact O-N 3.5Å; E262-I264 PolarHBondContact O-N 2.94Å; I264-E267 PolarHBondContact O-N 2.86Å; I264-E268 PolarHBondContact O-N 3.09Å
265L95.2Very high93.3Very high53 Ų5378.2 Ų78.228%0.27740%0.403SS..Hα-helixtrans-64.6-41.8177.7-67.9173.6000112.2L244 Q247 A248 Q261 E262 R263 E268 F269L244-L265 WeakPolarHBondContact CD2-O 3.5Å; L244-L265 WeakPolarHBondContact O-CD2 3.39Å; Q247-L265 HydrophobicContact CB-CD2 4.05Å; A248-L265 HydrophobicContact CB-CD2 4.05Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 2.93Å; E262-L265 PolarHBondContact O-N 3.35Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.08Å; L265-E268 PolarHBondContact O-N 3.42Å; L265-F269 WeakPolarHBondContact O-CB 3.15Å; L265-F269 PolarHBondContact O-N 2.82Å
266L95.1Very high93Very high106 Ų10671.3 Ų71.356%0.55537%0.366SS*.Hα-helixtrans-66.3-37.4175.1-69.1172.5000112.2E262 R263 F269 G270E262-L266 HydrophobicContact CG-CD1 3.98Å; E262-L266 HydrophobicContact CG-CG 4.5Å; E262-L266 WeakPolarHBondContact O-CG 3.23Å; E262-L266 PolarHBondContact O-N 3.06Å; R263-L266 PolarHBondContact O-N 3.22Å; L266-F269 PolarHBondContact O-N 2.76Å; L266-G270 PolarHBondContact O-N 3Å
267E93.8Very high92.7Very high83 Ų8374.2 Ų74.239%0.38838%0.381SS..Hα-helixtrans-66-42.2175.3-75.7-179.5-169.600112.2R263 I264 R271R263-E267 HydrophobicContact CG-CG 4.5Å; R263-E267 IonicContact CZ-OE1 3.23Å; R263-E267 VanDerWaalsContact CZ-OE1 3.26Å; R263-E267 IonicContact NE-OE1 2.8Å; R263-E267 PolarHBondContact NE-OE1 3.01Å; R263-E267 IonicContact NH2-OE1 3.69Å; R263-E267 PolarHBondContact NH2-OE1 2.97Å; R263-E267 WeakPolarHBondContact O-CB 3.3Å; R263-E267 WeakPolarHBondContact O-CG 3.35Å; R263-E267 PolarHBondContact O-N 3.03Å; I264-E267 PolarHBondContact O-N 2.86Å; E267-R271 VanDerWaalsContact O-CG 3.31Å; E267-R271 WeakPolarHBondContact O-CG 3.06Å; E267-R271 PolarHBondContact O-N 3.32Å; E267-R271 VanDerWaalsContact O-N 3.07Å
268E94.8Very high92.3Very high16 Ų1675.1 Ų75.18%0.07538%0.378CS..Hα-helixtrans-71.2-35.3174.6-170.168.1-142.700112.5C243 L244 Q247 I264 L265 R271 T272 R275C243-E268 HydrophobicContact CB-CG 4.25Å; L244-E268 HydrophobicContact CD2-CB 4.29Å; Q247-E268 HydrophobicContact CG-CB 3.83Å; Q247-E268 HydrophobicContact CG-CG 3.77Å; Q247-E268 PolarHBondContact NE2-OE2 3.48Å; I264-E268 PolarHBondContact O-N 3.09Å; L265-E268 PolarHBondContact O-N 3.42Å; E268-R271 PolarHBondContact O-N 2.64Å; E268-T272 WeakPolarHBondContact O-CB 3.48Å; E268-T272 PolarHBondContact O-N 3.26Å; E268-T272 PolarHBondContact O-OG1 3.5Å; E268-R275 IonicContact OE1-NH1 3.49Å; E268-R275 PolarHBondContact OE1-NH1 3.38Å; E268-R275 IonicContact OE1-NH2 3.79Å
269F95.7Very high91.7Very high90 Ų9071.4 Ų71.440%0.39536%0.356SS..Hα-helixtrans-61.5-45.9173.9-173.9-121.2000111T240 L244 L265 L266 T272 L273T240-F269 HydrophobicContact CG2-CD2 4.3Å; T240-F269 HydrophobicContact CG2-CE2 4.34Å; L244-F269 HydrophobicContact CD1-CD2 4.08Å; L244-F269 HydrophobicContact CD2-CB 3.87Å; L265-F269 WeakPolarHBondContact O-CB 3.15Å; L265-F269 PolarHBondContact O-N 2.82Å; L266-F269 PolarHBondContact O-N 2.76Å; F269-T272 PolarHBondContact O-N 3.42Å; F269-L273 HydrophobicContact CD1-CD1 4.05Å; F269-L273 HydrophobicContact CE1-CD1 3.64Å; F269-L273 HydrophobicContact CE1-CG 4.35Å; F269-L273 HydrophobicContact CE2-CD2 4.45Å; F269-L273 HydrophobicContact CE2-CG 4.37Å; F269-L273 HydrophobicContact CZ-CD1 3.9Å; F269-L273 HydrophobicContact CZ-CD2 4.26Å; F269-L273 HydrophobicContact CZ-CG 4.2Å; F269-L273 WeakPolarHBondContact O-CG 3.49Å; F269-L273 PolarHBondContact O-N 3.29Å
270G95Very high91.1Very high28 Ų2868.9 Ų68.929%0.28934%0.335SS..Hα-helixtrans-56.5-50.1173.700000112.6L266 T272 L273 E274L266-G270 PolarHBondContact O-N 3Å; G270-T272 VanDerWaalsContact C-N 3.25Å; G270-T272 PolarHBondContact O-N 3.37Å; G270-L273 PolarHBondContact O-N 3.01Å; G270-E274 WeakPolarHBondContact O-CG 3.47Å; G270-E274 PolarHBondContact O-N 3.36Å
271R93.3Very high90.4Very high129 Ų12970.2 Ų70.249%0.48734%0.343SS..Hα-helixtrans-58.9-35.5176-72.5170.3178.7-164.40.1113.2E267 E268 R275E267-R271 VanDerWaalsContact O-CG 3.31Å; E267-R271 WeakPolarHBondContact O-CG 3.06Å; E267-R271 PolarHBondContact O-N 3.32Å; E267-R271 VanDerWaalsContact O-N 3.07Å; E268-R271 PolarHBondContact O-N 2.64Å; R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 2.86Å
272T93Very high89.7Confident1 Ų172.5 Ų72.51%0.00635%0.351CS..Hα-helixtrans-72.7-40.6179.4-52.70000110.9T240 E268 F269 G270 R275 V276 V326T240-T272 HydrophobicContact CG2-CG2 3.81Å; T240-T272 WeakPolarHBondContact OG1-CG2 3.35Å; E268-T272 WeakPolarHBondContact O-CB 3.48Å; E268-T272 PolarHBondContact O-N 3.26Å; E268-T272 PolarHBondContact O-OG1 3.5Å; F269-T272 PolarHBondContact O-N 3.42Å; G270-T272 VanDerWaalsContact C-N 3.25Å; G270-T272 PolarHBondContact O-N 3.37Å; T272-R275 PolarHBondContact O-N 2.84Å; T272-V276 WeakPolarHBondContact O-CG2 3.16Å; T272-V276 PolarHBondContact O-N 2.78Å; T272-V276 VanDerWaalsContact O-N 3.09Å; T272-V326 HydrophobicContact CG2-CG1 4.05Å; T272-V326 HydrophobicContact CG2-CG2 4.21Å
273L91.6Very high88.5Confident58 Ų5867.7 Ų67.730%0.30433%0.333SS..Hα-helixtrans-61.6-42.2171.6-69.1176.2000112.2F269 G270 R275 V276 I277F269-L273 HydrophobicContact CD1-CD1 4.05Å; F269-L273 HydrophobicContact CE1-CD1 3.64Å; F269-L273 HydrophobicContact CE1-CG 4.35Å; F269-L273 HydrophobicContact CE2-CD2 4.45Å; F269-L273 HydrophobicContact CE2-CG 4.37Å; F269-L273 HydrophobicContact CZ-CD1 3.9Å; F269-L273 HydrophobicContact CZ-CD2 4.26Å; F269-L273 HydrophobicContact CZ-CG 4.2Å; F269-L273 WeakPolarHBondContact O-CG 3.49Å; F269-L273 PolarHBondContact O-N 3.29Å; G270-L273 PolarHBondContact O-N 3.01Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 3.46Å; L273-V276 PolarHBondContact O-N 2.94Å; L273-I277 WeakPolarHBondContact O-CB 3.48Å; L273-I277 WeakPolarHBondContact O-CD1 3.28Å; L273-I277 VanDerWaalsContact O-CG1 3.24Å; L273-I277 WeakPolarHBondContact O-CG1 3.47Å; L273-I277 PolarHBondContact O-N 3.24Å
274E90.6Very high87.1Confident132 Ų13264.6 Ų64.662%0.61733%0.326SS*.Hα-helixtrans-57.4-45.1175.2-74.7174.5171.900111.9G270 V276 I277 E278G270-E274 WeakPolarHBondContact O-CG 3.47Å; G270-E274 PolarHBondContact O-N 3.36Å; E274-V276 PolarHBondContact O-N 3.18Å; E274-I277 PolarHBondContact O-N 3.41Å; E274-E278 WeakPolarHBondContact O-CB 3.24Å; E274-E278 PolarHBondContact O-N 3.35Å
275R87.3Confident85.4Confident66 Ų6667.8 Ų67.825%0.24934%0.342CS..Hα-helixtrans-61.7-41.8175.5-69.2172-171.1138.24.7112.6E268 R271 T272 L273 E278 A279E268-R275 IonicContact OE1-NH1 3.49Å; E268-R275 PolarHBondContact OE1-NH1 3.38Å; E268-R275 IonicContact OE1-NH2 3.79Å; R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 2.86Å; T272-R275 PolarHBondContact O-N 2.84Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 3.46Å; R275-E278 PolarHBondContact O-N 2.92Å; R275-A279 WeakPolarHBondContact O-CB 3.23Å; R275-A279 PolarHBondContact O-N 3.21Å
276V86.7Confident83.4Confident8 Ų874.3 Ų74.35%0.04836%0.363CS..Hα-helixtrans-66-41.3177.7173.50000110.8F231 V236 T272 L273 E274 A279 A280 V326F231-V276 HydrophobicContact CB-CG1 4.1Å; V236-V276 HydrophobicContact CG1-CG2 3.76Å; T272-V276 WeakPolarHBondContact O-CG2 3.16Å; T272-V276 PolarHBondContact O-N 2.78Å; T272-V276 VanDerWaalsContact O-N 3.09Å; L273-V276 PolarHBondContact O-N 2.94Å; E274-V276 PolarHBondContact O-N 3.18Å; V276-A279 PolarHBondContact O-N 3.46Å; V276-A280 WeakPolarHBondContact O-CB 3.29Å; V276-A280 PolarHBondContact O-N 3.1Å; V276-V326 HydrophobicContact CG2-CG1 4.18Å
277I85.9Confident81.3Confident106 Ų10674 Ų7454%0.54437%0.369SS..Hα-helixtrans-65.2-41.4175.6-67.4163000111.1L273 E274 A280 S281L273-I277 WeakPolarHBondContact O-CB 3.48Å; L273-I277 WeakPolarHBondContact O-CD1 3.28Å; L273-I277 VanDerWaalsContact O-CG1 3.24Å; L273-I277 WeakPolarHBondContact O-CG1 3.47Å; L273-I277 PolarHBondContact O-N 3.24Å; E274-I277 PolarHBondContact O-N 3.41Å; I277-A280 PolarHBondContact O-N 3.34Å; I277-S281 WeakPolarHBondContact O-CB 3.49Å; I277-S281 PolarHBondContact O-N 3.19Å; I277-S281 PolarHBondContact O-OG 2.88Å
278E85.2Confident79.2Confident100 Ų10074.3 Ų74.347%0.46738%0.381SS..Hα-helixtrans-65.3-42.8177.1-166.1-169166.400111.6E274 R275 S281 K282E274-E278 WeakPolarHBondContact O-CB 3.24Å; E274-E278 PolarHBondContact O-N 3.35Å; R275-E278 PolarHBondContact O-N 2.92Å; E278-S281 PolarHBondContact O-N 2.69Å; E278-K282 HydrophobicContact CG-CD 4.3Å; E278-K282 WeakPolarHBondContact O-CB 3.47Å; E278-K282 WeakPolarHBondContact O-CG 3.39Å; E278-K282 PolarHBondContact O-N 3.13Å; E278-K282 VanDerWaalsContact OE1-CE 3.26Å; E278-K282 WeakPolarHBondContact OE1-CE 3.45Å; E278-K282 IonicContact OE1-NZ 2.64Å; E278-K282 PolarHBondContact OE1-NZ 3.42Å
279A81.8Confident77.1Confident24 Ų2477.8 Ų77.820%0.19841%0.407CS..Hα-helixtrans-61.6-46.6174.700000111.7R275 V276 S281 K282 A283 A330R275-A279 WeakPolarHBondContact O-CB 3.23Å; R275-A279 PolarHBondContact O-N 3.21Å; V276-A279 PolarHBondContact O-N 3.46Å; A279-S281 VanDerWaalsContact C-N 3.34Å; A279-S281 PolarHBondContact O-N 2.97Å; A279-K282 PolarHBondContact O-N 2.85Å; A279-A283 PolarHBondContact O-N 3.27Å; A279-A330 HydrophobicContact CB-CB 3.81Å
280A79.9Confident74.4Confident20 Ų2076.7 Ų76.717%0.16542%0.421CS..Hα-helixtrans-60.2-42.5176.100000112.6F231 V276 I277 A283 Q284F231-A280 HydrophobicContact CD1-CB 3.93Å; F231-A280 HydrophobicContact CD2-CB 3.56Å; F231-A280 HydrophobicContact CE1-CB 3.95Å; F231-A280 HydrophobicContact CE2-CB 3.57Å; F231-A280 HydrophobicContact CG-CB 3.75Å; F231-A280 HydrophobicContact CZ-CB 3.78Å; V276-A280 WeakPolarHBondContact O-CB 3.29Å; V276-A280 PolarHBondContact O-N 3.1Å; I277-A280 PolarHBondContact O-N 3.34Å; A280-A283 PolarHBondContact O-N 3.1Å; A280-Q284 PolarHBondContact O-N 3.34Å
281S79.3Confident71.8Confident58 Ų5882.1 Ų82.141%0.40644%0.442SS..Hα-helixtrans-64.5-41.4177.3-56.30000111.7I277 E278 A279 Q284 I285I277-S281 WeakPolarHBondContact O-CB 3.49Å; I277-S281 PolarHBondContact O-N 3.19Å; I277-S281 PolarHBondContact O-OG 2.88Å; E278-S281 PolarHBondContact O-N 2.69Å; A279-S281 VanDerWaalsContact C-N 3.34Å; A279-S281 PolarHBondContact O-N 2.97Å; S281-Q284 PolarHBondContact O-N 2.89Å; S281-I285 WeakPolarHBondContact O-CD1 3.26Å; S281-I285 VanDerWaalsContact O-CG1 3.31Å; S281-I285 WeakPolarHBondContact O-CG1 3.42Å; S281-I285 PolarHBondContact O-N 3.05Å
282K76.8Confident69Low114 Ų11485 Ų8550%0.49646%0.461SS..Hα-helixtrans-67-34.6176.9-77.4170.8172.6172.10112.9E278 A279 R286E278-K282 HydrophobicContact CG-CD 4.3Å; E278-K282 WeakPolarHBondContact O-CB 3.47Å; E278-K282 WeakPolarHBondContact O-CG 3.39Å; E278-K282 PolarHBondContact O-N 3.13Å; E278-K282 VanDerWaalsContact OE1-CE 3.26Å; E278-K282 WeakPolarHBondContact OE1-CE 3.45Å; E278-K282 IonicContact OE1-NZ 2.64Å; E278-K282 PolarHBondContact OE1-NZ 3.42Å; A279-K282 PolarHBondContact O-N 2.85Å; K282-R286 WeakPolarHBondContact O-CG 3.45Å; K282-R286 PolarHBondContact O-N 3.45Å
283A69.8Low66.3Low23 Ų2391.2 Ų91.219%0.1950%0.498CS..Hα-helixtrans-63.2-49.7173.700000111.2F231 A279 A280 I285 R286 S287 A334F231-A283 HydrophobicContact CE1-CB 4.02Å; F231-A283 HydrophobicContact CZ-CB 3.94Å; A279-A283 PolarHBondContact O-N 3.27Å; A280-A283 PolarHBondContact O-N 3.1Å; A283-I285 VanDerWaalsContact C-N 3.33Å; A283-I285 PolarHBondContact O-N 3.1Å; A283-R286 PolarHBondContact O-N 3.38Å; A283-R286 VanDerWaalsContact O-N 3.14Å; A283-S287 PolarHBondContact O-N 2.96Å; A283-A334 HydrophobicContact CB-CB 4.39Å
284Q64.2Low63.5Low99 Ų9994.1 Ų94.146%0.46352%0.524SS..Hα-helixtrans-62.4-34.8180-70.8-169.7-2600113.7A280 S281 R286 S288A280-Q284 PolarHBondContact O-N 3.34Å; S281-Q284 PolarHBondContact O-N 2.89Å; Q284-R286 VanDerWaalsContact C-N 3.34Å; Q284-R286 PolarHBondContact O-N 2.77Å; Q284-S288 PolarHBondContact O-N 3.43Å
285I58.3Low60.9Low109 Ų10992 Ų9256%0.55953%0.529SS*.Hα-helixtrans-65.4-37176.7-67.2164.2000111.5S281 A283 S288 S289S281-I285 WeakPolarHBondContact O-CD1 3.26Å; S281-I285 VanDerWaalsContact O-CG1 3.31Å; S281-I285 WeakPolarHBondContact O-CG1 3.42Å; S281-I285 PolarHBondContact O-N 3.05Å; A283-I285 VanDerWaalsContact C-N 3.33Å; A283-I285 PolarHBondContact O-N 3.1Å; I285-S288 PolarHBondContact O-N 3.47Å; I285-S288 PolarHBondContact O-OG 2.71Å; I285-S289 PolarHBondContact O-OG 2.91Å
286R53.2Low58.7Low191 Ų19194.1 Ų94.172%0.72155%0.554SS**Hα-helixtrans-66-43.9178.7-72.6175.8174.9-174-2.3112.1K282 A283 Q284 S288 S289K282-R286 WeakPolarHBondContact O-CG 3.45Å; K282-R286 PolarHBondContact O-N 3.45Å; A283-R286 PolarHBondContact O-N 3.38Å; A283-R286 VanDerWaalsContact O-N 3.14Å; Q284-R286 VanDerWaalsContact C-N 3.34Å; Q284-R286 PolarHBondContact O-N 2.77Å; R286-S288 VanDerWaalsContact C-N 3.26Å; R286-S288 PolarHBondContact O-N 3.15Å; R286-S289 PolarHBondContact O-N 3.41Å
287S51.8Low56.5Low99 Ų99100.8 Ų100.869%0.69259%0.587SS**Hα-helixtrans-61.8-32.4177.5-51.20000112.9A283 S289A283-S287 PolarHBondContact O-N 2.96Å; S287-S289 VanDerWaalsContact C-N 3.34Å; S287-S289 PolarHBondContact O-N 2.9Å
288S49.7Very low54.5Low90 Ų90103.1 Ų103.163%0.62960%0.601SS**Hα-helixtrans-77.3-12.5179.1690000115.4Q284 I285 R286Q284-S288 PolarHBondContact O-N 3.43Å; I285-S288 PolarHBondContact O-N 3.47Å; I285-S288 PolarHBondContact O-OG 2.71Å; R286-S288 VanDerWaalsContact C-N 3.26Å; R286-S288 PolarHBondContact O-N 3.15Å
289S49.4Very low52.3Low89 Ų89106 Ų10662%0.62262%0.62SS**THydrogen-bonded Turntrans-102.62.6-171.7-56.10000114.2I285 R286 S287I285-S289 PolarHBondContact O-OG 2.91Å; R286-S289 PolarHBondContact O-N 3.41Å; S287-S289 VanDerWaalsContact C-N 3.34Å; S287-S289 PolarHBondContact O-N 2.9Å
290G40.1Very low50.4Low67 Ų67111.9 Ų111.969%0.69165%0.648SS**  trans-85.9-5-174.400000116.3
291I39Very low48.7Very low142 Ų142116.3 Ų116.373%0.72867%0.669SS**  trans-105.774.6-171.8-47.7178.1000110.8
292H36.4Very low46.9Very low190 Ų190121.7 Ų121.788%0.8869%0.687SS**  trans-137.6119.8157.2-93-73.5000110.5
293T36.2Very low45.1Very low130 Ų130119.9 Ų119.980%0.79870%0.702SS**  trans-77.1146.7-167.848.30000114
294S31.9Very low43.5Very low119 Ų119126.1 Ų126.183%0.83273%0.731SS**  trans-57.7129.7167.551.90000114.5
295A36.6Very low42.5Very low88 Ų88129.3 Ų129.373%0.72775%0.749SS**  trans-175.6160.3148.900000111
296S40.9Very low41.4Very low110 Ų110132.7 Ų132.777%0.76976%0.762SS**  trans60.2112.1-177.242.20000115.1
297I41Very low40.7Very low148 Ų148129.7 Ų129.776%0.75977%0.77SS**  cis64.192.749.2-49.7173.2000111.8
298D42.8Very low39.9Very low155 Ų155129 Ų12983%0.82978%0.779SS**  179.2141.9110.7-95.7-41000111.3
299D39Very low39.1Very low162 Ų162128.8 Ų128.887%0.86679%0.791SS**  trans-68.2152.4169.5-71.2-92.1000111.8
300N41.6Very low38.4Very low147 Ų147130 Ų13079%0.78680%0.8SS**  trans168.9106.6130.7-173.579000114.6
301D44.4Very low38.4Very low112 Ų112133.8 Ų133.860%0.59981%0.81SS**  trans70.9125.2132-145.848.9000125
302Q41.1Very low38.3Very low171 Ų171130.4 Ų130.480%0.79981%0.81SS**  trans46.8133.1144.5-73.8171.665.400124.3
303G39Very low38.6Very low77 Ų77128.1 Ų128.179%0.79481%0.812SS**  trans179.385.2163.100000115.3
304L37Very low38.5Very low154 Ų154125.6 Ų125.681%0.80681%0.812SS**  trans-57.9148.5172.8-92.563.6000113.3
305I42.7Very low38.6Very low165 Ų165125.2 Ų125.285%0.84681%0.81SS**  -174.2144.4100.145.5177000113.8
306H36Very low38.6Very low181 Ų181129.2 Ų129.284%0.83882%0.818SS**  trans-84.9156.1170.3-78.4-114.7000112.3
307S39Very low38.2Very low127 Ų127127.7 Ų127.789%0.88882%0.82SS**  -178.4152.1116.3-79.70000112.3
308G34.5Very low37.9Very low85 Ų85124.7 Ų124.788%0.87683%0.825SS**  trans-102.4179.2-171.400000115.6
309G33.6Very low37.6Very low86 Ų86127.4 Ų127.489%0.88783%0.829SS**  trans-172.3110.8174.400000111.5
310S33.5Very low37.5Very low115 Ų115122.4 Ų122.480%0.80482%0.816SS**  trans-106.6142.7-179.3167.80000110.8
311T41.3Very low37.9Very low145 Ų145120.8 Ų120.889%0.8982%0.816SS**  trans-169.3128.7147.420.70000113.4
312G36Very low38Very low72 Ų72117.6 Ų117.674%0.74281%0.81SS**  trans81.6113.1135.800000120.5
313P42.2Very low38.5Very low141 Ų141111.5 Ų111.592%0.91679%0.789SS**  trans-87.9144.8167.734.7-32000112.9
314G35.3Very low39.2Very low78 Ų78112.9 Ų112.980%0.80478%0.782SS**  trans-128.414417700000112.4
315S32.8Very low40.2Very low111 Ų111107.2 Ų107.278%0.77676%0.76SS**  trans-85.9178.1-167.6-168.80000114.6
316L37.7Very low41Very low171 Ų17199.4 Ų99.490%0.89572%0.72SS**  trans78.5129.4170.9-42.5169.5000114.7
317G32.9Very low42.3Very low79 Ų7993.2 Ų93.281%0.81470%0.7SS**  cis171.5166.6-4.500000110.5
318G34.1Very low43.4Very low84 Ų8489.8 Ų89.887%0.86668%0.68SS**  trans100.8116.2171.200000115.9
319K36.2Very low44.7Very low213 Ų21386.8 Ų86.893%0.92665%0.647SS**  trans-79.8130.5176-66.8171.2173.71780110.4
320G37.1Very low46.1Very low57 Ų5782.8 Ų82.859%0.58861%0.605SS**  trans-141.449-17900000113.6G322G320-G322 VanDerWaalsContact C-N 3.28Å; G320-G322 PolarHBondContact O-N 3.39Å
321S49Very low47.5Very low112 Ų11279.9 Ų79.978%0.78359%0.588SS**THydrogen-bonded Turntrans-69.6-10.2-167.4-58.50000116.6
322G48.1Very low48.4Very low45 Ų4575.6 Ų75.646%0.46457%0.568SS.*THydrogen-bonded Turntrans-79.1-40-177.300000114.9G320 V324 G325G320-G322 VanDerWaalsContact C-N 3.28Å; G320-G322 PolarHBondContact O-N 3.39Å; G322-V324 VanDerWaalsContact C-N 3.27Å; G322-V324 PolarHBondContact O-N 3.42Å; G322-G325 PolarHBondContact O-N 3.46Å; G322-G325 VanDerWaalsContact O-N 3.13Å
323A50Low49.5Very low43 Ų4373 Ų7336%0.35554%0.539SS..Hα-helixtrans-67.3-26.1-170.500000114G325A323-G325 VanDerWaalsContact C-N 3.33Å
324V55.3Low50.4Low107 Ų10767.8 Ų67.865%0.64851%0.508SS*.Hα-helixtrans-70.4-31.8177.7-173.70000111.2G322 A328G322-V324 VanDerWaalsContact C-N 3.27Å; G322-V324 PolarHBondContact O-N 3.42Å; V324-A328 VanDerWaalsContact O-CB 3.3Å; V324-A328 WeakPolarHBondContact O-CB 3.4Å; V324-A328 PolarHBondContact O-N 2.88Å
325G58.1Low51.4Low35 Ų3569 Ų6936%0.36150%0.496SS..Hα-helixtrans-64.9-47.4-175.500000113.7G322 A323 A327 A328 A329G322-G325 PolarHBondContact O-N 3.46Å; G322-G325 VanDerWaalsContact O-N 3.13Å; A323-G325 VanDerWaalsContact C-N 3.33Å; G325-A327 PolarHBondContact O-N 2.98Å; G325-A328 PolarHBondContact O-N 2.9Å; G325-A329 WeakPolarHBondContact O-CB 3.38Å; G325-A329 PolarHBondContact O-N 3.27Å
326V59.5Low52.6Low0 Ų068.7 Ų68.70%049%0.489CS..Hα-helixtrans-61.3-45.3-179.1-1770000111.3A239 T272 V276 A329 A330A239-V326 HydrophobicContact CB-CB 4.42Å; A239-V326 HydrophobicContact CB-CG2 3.68Å; T272-V326 HydrophobicContact CG2-CG1 4.05Å; T272-V326 HydrophobicContact CG2-CG2 4.21Å; V276-V326 HydrophobicContact CG2-CG1 4.18Å; V326-A329 PolarHBondContact O-N 3.41Å; V326-A330 WeakPolarHBondContact O-CB 3.41Å; V326-A330 PolarHBondContact O-N 2.89Å
327A61.4Low53.4Low51 Ų5164.5 Ų64.542%0.42147%0.467SS..Hα-helixtrans-68.4-37.7179.900000112.2G325 A331G325-A327 PolarHBondContact O-N 2.98Å; A327-A331 VanDerWaalsContact O-CB 3.32Å; A327-A331 WeakPolarHBondContact O-CB 3.48Å; A327-A331 PolarHBondContact O-N 3.11Å
328A62.6Low54.4Low55 Ų5570 Ų7046%0.45546%0.463SS..Hα-helixtrans-68.3-42175.400000112.3V324 G325 A331 A332V324-A328 VanDerWaalsContact O-CB 3.3Å; V324-A328 WeakPolarHBondContact O-CB 3.4Å; V324-A328 PolarHBondContact O-N 2.88Å; G325-A328 PolarHBondContact O-N 2.9Å; A328-A331 PolarHBondContact O-N 2.92Å; A328-A332 WeakPolarHBondContact O-CB 3.37Å; A328-A332 PolarHBondContact O-N 3Å
329A62.4Low55.4Low22 Ų2272.9 Ų72.918%0.18246%0.459CS..Hα-helixtrans-63.4-45.8176.100000111.7E235 V236 G325 V326 A331 A332 A333E235-A329 HydrophobicContact CB-CB 4.04Å; V236-A329 HydrophobicContact CG2-CB 4.21Å; G325-A329 WeakPolarHBondContact O-CB 3.38Å; G325-A329 PolarHBondContact O-N 3.27Å; V326-A329 PolarHBondContact O-N 3.41Å; A329-A331 VanDerWaalsContact C-N 3.3Å; A329-A331 PolarHBondContact O-N 3.11Å; A329-A332 PolarHBondContact O-N 3.18Å; A329-A333 WeakPolarHBondContact O-CB 3.49Å; A329-A333 PolarHBondContact O-N 2.98Å
330A62.7Low56.2Low2 Ų269.2 Ų69.22%0.01745%0.45CS..Hα-helixtrans-64.9-32.2176.200000113V236 A279 V326 A334V236-A330 HydrophobicContact CG2-CB 4.14Å; A279-A330 HydrophobicContact CB-CB 3.81Å; V326-A330 WeakPolarHBondContact O-CB 3.41Å; V326-A330 PolarHBondContact O-N 2.89Å; A330-A334 PolarHBondContact O-N 3.48Å
331A62.7Low56.9Low55 Ų5574.6 Ų74.646%0.45546%0.459SS..Hα-helixtrans-72.3-43.4173.700000112.3A327 A328 A329 A333 A334 D335A327-A331 VanDerWaalsContact O-CB 3.32Å; A327-A331 WeakPolarHBondContact O-CB 3.48Å; A327-A331 PolarHBondContact O-N 3.11Å; A328-A331 PolarHBondContact O-N 2.92Å; A329-A331 VanDerWaalsContact C-N 3.3Å; A329-A331 PolarHBondContact O-N 3.11Å; A331-A333 VanDerWaalsContact C-N 3.35Å; A331-A333 PolarHBondContact O-N 3.44Å; A331-A334 WeakPolarHBondContact O-CB 3.28Å; A331-A334 PolarHBondContact O-N 2.89Å; A331-A334 VanDerWaalsContact O-N 3.12Å; A331-D335 PolarHBondContact O-N 3.26Å
332A60.5Low57Low55 Ų5577 Ų7746%0.45546%0.463SS..Hα-helixtrans-63.2-40.2177.100000112A328 A329 A334 D335 V336A328-A332 WeakPolarHBondContact O-CB 3.37Å; A328-A332 PolarHBondContact O-N 3Å; A329-A332 PolarHBondContact O-N 3.18Å; A332-A334 PolarHBondContact O-N 3.34Å; A332-D335 PolarHBondContact O-N 3.42Å; A332-V336 WeakPolarHBondContact O-CG2 3.43Å; A332-V336 PolarHBondContact O-N 2.87Å
333A60Low57.2Low16 Ų1682.5 Ų82.513%0.13248%0.482CS..Hα-helixtrans-60.1-28.7173.500000113.5T233 A329 A331T233-A333 HydrophobicContact CG2-CB 3.5Å; A329-A333 WeakPolarHBondContact O-CB 3.49Å; A329-A333 PolarHBondContact O-N 2.98Å; A331-A333 VanDerWaalsContact C-N 3.35Å; A331-A333 PolarHBondContact O-N 3.44Å
334A60.2Low57.3Low32 Ų3289.7 Ų89.726%0.26451%0.509SS..Hα-helixtrans-82.9-27.5178.200000113.5A283 A330 A331 A332A283-A334 HydrophobicContact CB-CB 4.39Å; A330-A334 PolarHBondContact O-N 3.48Å; A331-A334 WeakPolarHBondContact O-CB 3.28Å; A331-A334 PolarHBondContact O-N 2.89Å; A331-A334 VanDerWaalsContact O-N 3.12Å; A332-A334 PolarHBondContact O-N 3.34Å
335D57.3Low57Low105 Ų10592.8 Ų92.856%0.56152%0.521SS*.Hα-helixtrans-79-35.4176-88.2-17.9000112.3A331 A332 L337 R338A331-D335 PolarHBondContact O-N 3.26Å; A332-D335 PolarHBondContact O-N 3.42Å; D335-L337 PolarHBondContact O-N 3.16Å; D335-R338 PolarHBondContact O-N 2.86Å
336V57.7Low56.8Low104 Ų10499.7 Ų99.763%0.6354%0.544SS*.G310 helixtrans-65-20.8-178.2171.60000113.4A332A332-V336 WeakPolarHBondContact O-CG2 3.43Å; A332-V336 PolarHBondContact O-N 2.87Å
337L54.1Low56.3Low82 Ų82108.6 Ų108.643%0.42959%0.588SS.*G310 helixtrans-90.46.6-179.5-65.7173.5000114V230 D335V230-L337 HydrophobicContact CB-CD1 4.39Å; V230-L337 HydrophobicContact CG1-CD1 3.43Å; V230-L337 VanDerWaalsContact CG1-CD1 3.43Å; V230-L337 HydrophobicContact CG2-CD1 4.13Å; D335-L337 PolarHBondContact O-N 3.16Å
338R54.7Low56Low194 Ų194114.6 Ų114.673%0.73261%0.61SS**G310 helixtrans-83.7-7.9178-84.3-176.854.7125.16.1115.1D335D335-R338 PolarHBondContact O-N 2.86Å
339D53.6Low55.5Low145 Ų145119.1 Ų119.178%0.77562%0.621SS**SBendtrans-107.76.1-171.6-67.2-37.8000113.9
340D52.7Low54.5Low137 Ų137124.3 Ų124.373%0.73365%0.646SS**SBendtrans-120.98.7-174-81.4-52.8000114.6
341E53.1Low53.8Low169 Ų169131.9 Ų131.979%0.7968%0.684SS**SBendtrans-99.48.7-170.6-67.6-162.5131.500116.9
342D51.3Low53Low163 Ų163136.1 Ų136.187%0.87270%0.699SS**SBendtrans-107.33.6-169.4-78.2-41.4000117.2
343D51.5Low52.8Low161 Ų161139.2 Ų139.286%0.86171%0.712SS**  trans-117.77.8-165.4-90.2-32000117.4
344E51.5Low52.6Low194 Ų194147.1 Ų147.191%0.90775%0.746SS**  trans-93-4.2-168.2-72-95.9125.400116.9
345D49.5Very low52.1Low171 Ų171154 Ų15491%0.91477%0.773SS**SBendtrans-940.1-166.9-86.3-37.2000117
346E53.7Low52.3Low180 Ų180157.6 Ų157.684%0.84179%0.786SS**SBendtrans-108.817-161.9-139-177.6-148.600117.8
347M49.5Very low51.9Low187 Ų187161.8 Ų161.892%0.92180%0.799SS**  trans-128.124.3-173.7-64.4-160.4-64.600117.2
348M55.2Low52.2Low178 Ų178165.3 Ų165.388%0.87782%0.818SS**  trans-100.970.5175.9-164.9178.7-59.300112.5
349H50.9Low52.5Low149 Ų149163 Ų16369%0.6982%0.821SS**  trans-128.4121175.8-76.3-65.9000113.1
350D41.5Very low52.3Low132 Ų132161.7 Ų161.771%0.70682%0.82SS**  trans59.385.2142.5-43.6-24.1000117.5
351I49.7Very low52.2Low160 Ų160162.1 Ų162.182%0.82182%0.822SS**  trans-11691.4151.6-59.4177.1000106.8V353I351-V353 PolarHBondContact O-N 3.39Å
352D45.8Very low52.2Low144 Ų144162.1 Ų162.177%0.7782%0.822SS**  trans-62.4120.1168.7-67.6-56.8000109.1E354D352-E354 PolarHBondContact O-N 2.9Å
353V55.6Low52.5Low120 Ų120163.5 Ų163.573%0.72783%0.826SS**  trans-87.3100.8170.1178.30000106.6I351 E355I351-V353 PolarHBondContact O-N 3.39Å; V353-E355 PolarHBondContact O-N 2.67Å; V353-E355 VanDerWaalsContact O-N 3.09Å
354E55.2Low52.6Low182 Ų182162.8 Ų162.885%0.8582%0.822SS**  trans-64.4107.7166.5-67.5-173.216400108.1D352 E356D352-E354 PolarHBondContact O-N 2.9Å; E354-E356 PolarHBondContact O-N 2.93Å
355E51.2Low52.3Low177 Ų177161.8 Ų161.883%0.82782%0.823SS**  trans-74.698.2170.7-67.3-175.2139.400108.2V353 E357V353-E355 PolarHBondContact O-N 2.67Å; V353-E355 VanDerWaalsContact O-N 3.09Å; E355-E357 PolarHBondContact O-N 3.43Å
356E59.8Low52.5Low180 Ų180162.2 Ų162.284%0.84182%0.819SS**  trans-67.8109.1167-78.8-174.3136.500109.2E354 D358E354-E356 PolarHBondContact O-N 2.93Å; E356-D358 PolarHBondContact O-N 3.28Å
357E50.7Low52.5Low193 Ų193161.6 Ų161.690%0.90282%0.818SS**  trans-72.596.5170.5-62.8-177.8147.900109.7E355E355-E357 PolarHBondContact O-N 3.43Å
358D58.7Low52.3Low155 Ų155163.7 Ų163.783%0.82982%0.818SS**  trans-90.1130.2171.6-98.7-36.1000111.6E356E356-D358 PolarHBondContact O-N 3.28Å
359D62.4Low51.6Low147 Ų147158.4 Ų158.479%0.78681%0.809SS**  trans-56.4144.7-168.1-80.5-61.6000116.7
360P49.7Very low51.4Low117 Ų117159.4 Ų159.476%0.7682%0.818SS**  trans-10765.1176.241.1-33.7000113.9
361D49.3Very low51.6Low145 Ų145160.1 Ų160.178%0.77583%0.827SS**  trans-135.5150.6178.9-88.9-49.7000115.6
362E52.6Low51.1Low170 Ų170155.9 Ų155.979%0.79482%0.822SS**  trans54.195.9165.3-64.2-175.1151.600120.3
363M57.7Low50.8Low192 Ų192152.8 Ų152.895%0.94682%0.824SS**  trans-143.5123.3133.9-87.8-161-7000110.4
364D54.1Low50.3Low145 Ų145152.8 Ų152.878%0.77583%0.827SS**  trans-76151.7-157.3-54.7-86.4000117.4E366D364-E366 PolarHBondContact O-N 3.21Å
365D45Very low49.7Very low173 Ų173150.1 Ų150.193%0.92582%0.824SS**  trans-67.1101.4161.8-80.8-66.9000111.3
366E53.3Low49.3Very low180 Ų180148.8 Ų148.884%0.84182%0.821SS**  trans-116.290.6166.5-145.2177.8-173.300114.5D364D364-E366 PolarHBondContact O-N 3.21Å
367M54.7Low48.3Very low167 Ų167145.1 Ų145.182%0.82382%0.815SS**  trans74.9111.5132.4-158.2169.3-167.600120.9
368Y45.1Very low47.7Very low231 Ų231145.8 Ų145.891%0.90681%0.809SS**  trans-65.6145.8161.2-96.1-108.2000113.5
369G41.2Very low46.9Very low68 Ų68147 Ų14770%0.70181%0.809SS**  trans112152.4169.200000113
370I46.5Very low45.8Very low169 Ų169142.7 Ų142.787%0.86780%0.8SS**  cis-140.9145.912.6-73.8177.8000109.9
371V44.4Very low45.5Very low147 Ų147145.5 Ų145.589%0.89180%0.802SS**  trans-88.1127.3169.1-178.60000109.8
372G40.7Very low45.1Very low71 Ų71143.8 Ų143.873%0.73280%0.802SS**  trans119.8119.7149.800000118.7
373G38Very low44.6Very low79 Ų79146.9 Ų146.981%0.81481%0.807SS**  trans94.4130.9132.700000118.3
374P46.8Very low44Very low120 Ų120142.3 Ų142.378%0.77979%0.793SS**  trans-111.7151.7-175.239-31.2000114.9
375T41.4Very low43.5Very low127 Ų127144.4 Ų144.478%0.77980%0.798SS**  trans-171122.2144.237.20000115.4
376I42.4Very low43.6Very low149 Ų149144 Ų14476%0.76480%0.795SS**  68.4127.4128.1-57.8173.9000121.9
377S39.1Very low43.2Very low103 Ų103139.5 Ų139.572%0.7280%0.797SS**  trans71.9150.9153.3-80.10000120.5
378R39.4Very low42.6Very low207 Ų207141.1 Ų141.178%0.78179%0.794SS**  cis-173.3158.6-24.3-140179.3-174.8-172.12.3108.6
379H42.1Very low43Very low179 Ų179141.8 Ų141.883%0.82980%0.795SS**  trans77.8146.6179.5-48.989.1000115.5
380G39.5Very low43.1Very low58 Ų58145.5 Ų145.560%0.59879%0.794SS**  cis159.8154-600000112.8
381H43.1Very low43.4Very low175 Ų175143.9 Ų143.981%0.8179%0.785SS**  trans83.6109.9178.4-48.8-59.4000115.8
382S40.9Very low43.4Very low110 Ų110141.8 Ų141.877%0.76978%0.775SS**  77.2128.975.6-64.70000112.5
383R41.6Very low43.2Very low235 Ų235144.2 Ų144.289%0.88778%0.781SS**  cis-167131.439.7-126.2166.2166.6-165.5-5.6113.3
384S44Very low43.6Very low96 Ų96145 Ų14567%0.67177%0.774SS**  trans27.5129.9136.163.60000124.2
385H45Very low43.6Very low189 Ų189148 Ų14888%0.87578%0.777SS**  -153.4157.5114.7-136.1-93.5000113.2
386L45.9Very low43.6Very low165 Ų165153.1 Ų153.186%0.86478%0.782SS**  trans-106.9151.6-166.2-69.1161.9000114
387G46.3Very low43.6Very low85 Ų85150.7 Ų150.788%0.87678%0.778SS**  trans-159.597.7167.500000112.3
388R42.4Very low43.8Very low201 Ų201151.8 Ų151.876%0.75878%0.781SS**  trans-115135.9-168-173.6-170.5-168.5-171.37.4112.2H390R388-H390 PolarHBondContact NE-CD2 3.09Å; R388-H390 PolarHBondContact NH2-CD2 3.38Å
389R52.1Low44Very low245 Ų245150.4 Ų150.493%0.92578%0.783SS**  trans-138.6162156.5-77.1-162.2178.1-167.91.3112.2
390H44.4Very low44.1Very low146 Ų146150 Ų15068%0.67679%0.785SS**  trans-167.7175.3-147.4-123.9-1.3000110.4R388R388-H390 PolarHBondContact NE-CD2 3.09Å; R388-H390 PolarHBondContact NH2-CD2 3.38Å
391I51.4Low44.4Very low134 Ų134153.2 Ų153.269%0.68779%0.793SS**  cis-122.7-78.16.9-35.8160.2000115.1
392P45.5Very low44.6Very low103 Ų103150.5 Ų150.567%0.66979%0.792SS**  trans-132.3156.1-133.438.9-21.1000119.3
393S35.1Very low44.5Very low123 Ų123153.7 Ų153.786%0.8679%0.794SS**  trans-78149.6153.1-68.70000111.2
394S46.4Very low45Very low96 Ų96150.8 Ų150.867%0.67180%0.795SS**  trans-151119.7174.5-980000114.9
395H46.7Very low45.1Very low181 Ų181153.9 Ų153.984%0.83880%0.799SS**  trans70.8145.2144.4-68.2-73.7000124.3
396R42.5Very low45.2Very low235 Ų235151.8 Ų151.889%0.88779%0.794SS**  trans85.3128.5150.1-120.6167.1179-148.4-2.3116.9
397S41.7Very low45.2Very low99 Ų99150.5 Ų150.569%0.69279%0.789SS**  cis-153.1148-8.5-127.70000110.9
398T42.9Very low45.3Very low125 Ų125153.7 Ų153.777%0.76778%0.784SS**  trans-75.3145161.837.60000110.8
399H44.7Very low45.8Very low179 Ų179152.2 Ų152.283%0.82979%0.787SS**  trans-139.5112.6154.2-118.1-78.9000108.4
400L43Very low45.5Very low169 Ų169145.3 Ų145.389%0.88578%0.777SS**  trans-87.6141.7163.7-67.5165.2000107.4
401V47Very low46.2Very low126 Ų126145.5 Ų145.576%0.76478%0.783SS**  trans-137.8138.4167.3-1760000106.5
402P47Very low46.3Very low119 Ų119147.5 Ų147.577%0.77379%0.789SS**  trans-87.8169.8-153.4-9.929.3000115.1
403E39.7Very low46.2Very low177 Ų177149.2 Ų149.283%0.82779%0.793SS**  trans-54.5134.6158.4-68.3162.6118.100110.8
404L51.5Low47.1Very low173 Ų173149 Ų14991%0.90679%0.789SS**  trans-133.3127.6151.3-78.8176.3000107.2
405E45.2Very low47Very low162 Ų162150.4 Ų150.476%0.75779%0.793SS**  trans-82.3-178.3173.6-56.1178.416500109.2
406D47.8Very low47.2Very low144 Ų144151.2 Ų151.277%0.7780%0.797SS**  trans114.3132.1160.1-57.4-33.2000119.4
407D46.2Very low47.3Very low139 Ų139150 Ų15074%0.74379%0.793SS**  trans67.281151.3-59.6-27.5000121.9
408I48.1Very low47.4Very low151 Ų151149.6 Ų149.677%0.77480%0.795SS**  16.7110.7111.8-50172.6000116.1
409M53.2Low47.5Very low170 Ų170151.7 Ų151.784%0.83780%0.795SS**  trans-139.5124.7143.9-82.2-167.568.400109.9
410S46.2Very low47.1Very low100 Ų100147.7 Ų147.770%0.69979%0.793SS**  trans-112.3128173.1-53.60000108.1
411D57.5Low47.1Very low151 Ų151146.9 Ų146.981%0.80780%0.795SS**  trans-143.2138.8164.6-87.8-58.2000109.2
412E54.1Low46.6Very low176 Ų176145.9 Ų145.982%0.82279%0.794SS**  trans-112155.7-165.5-58.1-177.211000112.3
413D43.6Very low46.2Very low139 Ų139145.2 Ų145.274%0.74379%0.792SS**  trans66.6170153.7-87.1-43.6000119.7
414P52.9Low46.3Very low119 Ų119142.2 Ų142.277%0.77379%0.791SS**  cis-127.3168.1-4.218.46.4000117.3
415V44.8Very low45.7Very low125 Ų125140.6 Ų140.676%0.75878%0.783SS**  trans-44.5140.7164.4-165.80000115.3
416E51.6Low45.5Very low198 Ų198144.5 Ų144.593%0.92579%0.791SS**  trans-119.5142155.8-160.3175.9-164.300111.9
417R44.6Very low45.2Very low210 Ų210145.6 Ų145.679%0.79279%0.791SS**  trans-145.2112-165.9171.4-156.9-178.598-3.3110.2
418A44.1Very low44.8Very low89 Ų89143.3 Ų143.374%0.73679%0.791SS**  trans-158.2108.116100000116.1
419H44.4Very low44.6Very low169 Ų169144.1 Ų144.178%0.78280%0.796SS**  53.4133.6129.3-61.8-73.4000123.4
420A37Very low43.9Very low95 Ų95144.5 Ų144.579%0.78580%0.797SS**  trans-94.1156.8176.700000113.3
421V42.4Very low44.2Very low152 Ų152145.4 Ų145.492%0.92180%0.801SS**  trans-143.2137.1154.8-165.20000109.5
422S36.4Very low43.3Very low105 Ų105146.3 Ų146.373%0.73480%0.8SS**  trans-85167.5175.6-700000113.3
423S39.7Very low42.8Very low106 Ų106148.6 Ų148.674%0.74180%0.801SS**  trans109.4106.1147.8-53.90000117.8
424S40.9Very low42.4Very low114 Ų114153.1 Ų153.180%0.79781%0.81SS**  71.4128.2128.4-56.70000121.3
425N39Very low41.6Very low139 Ų139155.9 Ų155.974%0.74381%0.812SS**  trans73.298.2145.3-164.823.2000118.3
426R41.5Very low41.2Very low243 Ų243159.2 Ų159.292%0.91782%0.819SS**  trans-160.5147.7136.5-110.1156.1-172-114.4-1.2112.5
427Q41.8Very low40.7Very low168 Ų168158.2 Ų158.279%0.78582%0.817SS**  trans-78169.7-178.7-62.1111.8-32.500113.3
428A37.3Very low40.3Very low90 Ų90157.4 Ų157.474%0.74482%0.822SS**  trans70.5118159.200000118
429I42.7Very low40Very low168 Ų168158.8 Ų158.886%0.86283%0.826SS**  -171.6120.5115.6-88.7148.3000107.1
430M38.8Very low39.7Very low178 Ų178162.7 Ų162.788%0.87783%0.834SS**  trans-89.5135174.5-80.4-75.3-169.800110.2H432M430-H432 PolarHBondContact O-N 3.43Å
431P53.6Low39.6Very low120 Ų120169.9 Ų169.978%0.77984%0.841SS**  trans-81.897.2166.323.5-14.8000110.2R433P431-R433 PolarHBondContact O-N 3.21Å
432H37.8Very low39.4Very low169 Ų169169.2 Ų169.278%0.78284%0.837SS**  trans-76.984.8-179.5-168-76.8000111.7M430M430-H432 PolarHBondContact O-N 3.43Å
433R43.1Very low39.6Very low225 Ų225169.5 Ų169.585%0.84984%0.839SS**  trans-156.170.4177.1-159.8175.8-170.41613.4114.8P431P431-R433 PolarHBondContact O-N 3.21Å
434Y35.4Very low39.5Very low234 Ų234174.1 Ų174.192%0.91885%0.849SS**SBendtrans-176.359.5145.4-117.3-81.8000112.1
435Q36Very low39.5Very low177 Ų177174.6 Ų174.683%0.82785%0.847SS**  trans-144.562.1175.7-161.316611.200112.2
436E38.2Very low39.5Very low194 Ų194173.3 Ų173.391%0.90784%0.844SS**  trans-149.650.3-176.6-137.4171.8-159.100113.5
437M39.1Very low39.5Very low177 Ų177170.1 Ų170.187%0.87284%0.84SS**SBendtrans-135.69.7166.6-73-158.8-171.900114.6
438H37.5Very low39.5Very low194 Ų194169.9 Ų169.990%0.89884%0.844SS**SBendtrans-124.368.5179.1-70.6-16.5000111.3
439S36.6Very low39.7Very low118 Ų118177 Ų17783%0.82585%0.851SS**SBendtrans-160.323.3169.7-122.90000115.1
440R38Very low39.4Very low251 Ų251178.5 Ų178.595%0.94785%0.847SS**SBendtrans-14057.3177.3-71-166.2178.4-164.10.9113.5
441R36.4Very low39.4Very low246 Ų246176 Ų17693%0.92884%0.836SS**  trans-159.446164.2-128.7176.4-167.2-140.30.3116.1
442T37.3Very low38.7Very low138 Ų138179.1 Ų179.185%0.84784%0.84SS**  trans-141.964.7176.5520000112.3
443S40.5Very low38.9Very low111 Ų111176.3 Ų176.378%0.77684%0.84SS**  trans-173.968.4165.458.80000112.3
444Q38Very low38.3Very low202 Ų202177 Ų17794%0.94484%0.842SS**  trans-157.4107.5152.7-114.9160.117.100108.8
445T40.2Very low38.6Very low125 Ų125177.3 Ų177.377%0.76784%0.842SS**  trans-107.6157.4-176.7480000109.7
446V40.4Very low38.6Very low112 Ų112174 Ų17468%0.67984%0.838SS**  trans83.3134.9162.7-165.30000116
447E40.2Very low38.9Very low175 Ų175173.3 Ų173.382%0.81884%0.837SS**  trans57.3108.9166.1-72.6147.6175.900116.5
448D43.2Very low39Very low163 Ų163169.9 Ų169.987%0.87283%0.83SS**  -148.6132.974.2-97.7-38.2000114.7
449R41.4Very low38.9Very low240 Ų240165.5 Ų165.591%0.90682%0.822SS**  trans-107.4116158.5-82.1179.5173.9164-3107.9
450Y36Very low39.1Very low199 Ų199172 Ų17278%0.7883%0.828SS**  trans-150.5102.5148.9-135-95.7000113
451I37.9Very low39.1Very low125 Ų125165.4 Ų165.464%0.64182%0.821SS**  trans13.9123.8132.3-51.9166.7000114.8
452H40.5Very low39.3Very low186 Ų186164.4 Ų164.486%0.86182%0.818SS**  trans-145.9134.6130.5-110.148.9000111.2
453S40.6Very low39.4Very low110 Ų110167.8 Ų167.877%0.76982%0.816SS**  trans-83.1157.1-163.8-167.70000113.3R455S453-R455 PolarHBondContact O-N 3.18Å
454R31.4Very low39.4Very low240 Ų240169.4 Ų169.491%0.90681%0.811SS**  trans-53.9133.5166.5-64.5-179.4179.7-174.11.7109.9
455R41.5Very low39.7Very low241 Ų241167.3 Ų167.391%0.90980%0.801SS**  trans-135.7112.8150.4-91.9-168.6173.4-153.4-3.1108.5S453S453-R455 PolarHBondContact O-N 3.18Å
456S36.2Very low39.8Very low108 Ų108168 Ų16876%0.75580%0.8SS**  trans-69142.7159.854.30000108.7
457M44.4Very low39.9Very low178 Ų178168.3 Ų168.388%0.87780%0.804SS**  trans-143.8130.2157.8-91.1-63.5100.100109.2
458S40.8Very low40.2Very low105 Ų105167.5 Ų167.573%0.73481%0.805SS**  trans-55.6138.2-169.2-1640000115.3
459S36.1Very low40.2Very low103 Ų103165 Ų16572%0.7280%0.801SS**  trans32.4108.1131.9-46.10000119.3
460R40.6Very low40Very low254 Ų254162.6 Ų162.696%0.95880%0.802SS**  -159.7132.9129.3-120.1170.1177.1175.2-1.7113.9
461S37.5Very low40.7Very low112 Ų112163.6 Ų163.678%0.78383%0.828SS**  trans-70133.3173.8-179.60000111.4
462Y39.9Very low40.8Very low225 Ų225165.6 Ų165.688%0.88284%0.838SS**  trans-153.4151.5144.9-137.8-99.8000111.8
463R40.7Very low40.8Very low209 Ų209164.5 Ų164.579%0.78984%0.836SS**  trans-79.1169.2-176.1-65.2179.1174-170.9-1112.4
464H41.2Very low40.8Very low145 Ų145167.5 Ų167.567%0.67184%0.84SS**  trans101.5129.9146.4-88.2-82.4000121.3
465H43.1Very low41.4Very low159 Ų159163.2 Ų163.274%0.73684%0.836SS**  trans82102.7154.4-68-60.3000121.5
466D43.4Very low41.4Very low140 Ų140158.4 Ų158.475%0.74983%0.832SS**  trans-49.9128.1150.9176.5-6.7000112.6D468D466-D468 PolarHBondContact OD1-N 3.23Å; D466-D468 VanDerWaalsContact OD1-N 3.11Å
467P42.3Very low41.7Very low117 Ų117161.7 Ų161.776%0.7684%0.837SS**  trans-125.261.1172.741.3-26.5000113.5
468D45.6Very low41.6Very low159 Ų159160.6 Ų160.685%0.8583%0.834SS**  trans-128.133.1165.8-108.1-30000114.2D466D466-D468 PolarHBondContact OD1-N 3.23Å; D466-D468 VanDerWaalsContact OD1-N 3.11Å
469S43Very low41.6Very low111 Ų111164.8 Ų164.878%0.77684%0.842SS**  trans-107.973.3167.2169.60000111.1
470M37.2Very low42.1Very low188 Ų188170 Ų17093%0.92685%0.852SS**  trans-177.982.1149.3-85.2-136.2178.700112.7
471V50.4Low42.2Very low221 Ų221162.4 Ų162.4100%1.33984%0.842SS**  trans-145.10145.3-178.90000108.3

Retrieved 471 of 471 residues in 377.5 ms (Link to these results)