A0A087Y288_POEFO Loading...

Coiled-coil domain containing 66

AlphaFold DB , UniProt , Accession A0A087Y288, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 848 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80.7Confident82.4Confident161 Ų16186.4 Ų86.479%0.79346%0.462SS*.  0117.70-175.5-179.4-73.800108L3 F9M1-L3 HydrophobicContact CG-CD2 4Å; M1-L3 HydrophobicContact SD-CD2 4.04Å; M1-F9 PolarHBondContact N-O 3.45Å; M1-F9 WeakPolarHBondContact O-CB 3.4Å; M1-F9 PolarHBondContact O-N 3.45Å
2N80.6Confident81.3Confident88 Ų8885.7 Ų85.747%0.47145%0.454SS..BIsolated β-bridgetrans-77.3135174.4-170.6-23.4000108.4G4 L7 L8N2-G4 PolarHBondContact OD1-N 2.65Å; N2-G4 VanDerWaalsContact OD1-N 3.07Å; N2-L7 PolarHBondContact OD1-O 3.05Å; N2-L8 HydrophobicContact CB-CD1 4.27Å
3L83.9Confident80.1Confident103 Ų10390.2 Ų90.254%0.53948%0.478SS..  trans-107.40.5-174.8-58.8-173.4000113.6M1 L7 F9 L18M1-L3 HydrophobicContact CG-CD2 4Å; M1-L3 HydrophobicContact SD-CD2 4.04Å; L3-L7 PolarHBondContact N-O 3.31Å; L3-F9 HydrophobicContact CD1-CB 3.99Å; L3-F9 HydrophobicContact CD2-CB 4.46Å; L3-F9 HydrophobicContact CG-CB 4.12Å; L3-L18 HydrophobicContact CD1-CD1 3.87Å
4G70.6Confident80.1Confident34 Ų3487.9 Ų87.935%0.35149%0.487SS..SBendtrans92.4-179.5-168.700000112.2N2 G6 L7N2-G4 PolarHBondContact OD1-N 2.65Å; N2-G4 VanDerWaalsContact OD1-N 3.07Å; G4-G6 PolarHBondContact O-N 3.29Å; G4-L7 PolarHBondContact O-N 3.13Å
5D76.1Confident79.8Confident164 Ų16492.3 Ų92.388%0.87750%0.499SS*.THydrogen-bonded Turntrans48.727174.2-57.4-15.1000116.2
6G81.4Confident80.3Confident15 Ų1592.3 Ų92.316%0.15551%0.506CS..THydrogen-bonded Turntrans69.531.3-17500000113.6G4 L20 L21G4-G6 PolarHBondContact O-N 3.29Å; G6-L20 CarbonylContact O-C 3.47Å; G6-L20 WeakPolarHBondContact O-CA 3.4Å; G6-L20 WeakPolarHBondContact O-CD1 3.43Å; G6-L21 PolarHBondContact O-N 3.34Å
7L85.8Confident80.5Confident57 Ų5794.2 Ų94.230%0.29850%0.503SS..EExtended strand (participates in β ladder)trans-119.1122.2178.6-71.2166.8000112.1N2 L3 G4 L18 L20N2-L7 PolarHBondContact OD1-O 3.05Å; L3-L7 PolarHBondContact N-O 3.31Å; G4-L7 PolarHBondContact O-N 3.13Å; L7-L18 HydrophobicContact CB-CD1 4.36Å; L7-L18 HydrophobicContact CD1-CD2 4.46Å; L7-L18 HydrophobicContact CD2-CD2 4.07Å; L7-L18 HydrophobicContact CD2-CG 4.13Å; L7-L20 HydrophobicContact CD2-CD1 3.69Å; L7-L20 HydrophobicContact CG-CD1 4.26Å
8L87.1Confident81Confident45 Ų4594.7 Ų94.724%0.23651%0.506CS..EExtended strand (participates in β ladder)trans-106.6123.2175.4-178.469.6000110.1N2 L18 I19 L21N2-L8 HydrophobicContact CB-CD1 4.27Å; L8-L18 WeakPolarHBondContact O-CA 3.48Å; L8-I19 PolarHBondContact N-O 3.08Å; L8-I19 PolarHBondContact O-N 3.43Å; L8-L21 HydrophobicContact CB-CB 4.42Å; L8-L21 HydrophobicContact CB-CD1 4.33Å; L8-L21 HydrophobicContact CD2-CD1 4.22Å
9F86.1Confident81.2Confident82 Ų8293.3 Ų93.336%0.3650%0.497SS..EExtended strand (participates in β ladder)trans-89.4126.1167.6180-86.1000110.1M1 L3 P16 R17 L18M1-F9 PolarHBondContact N-O 3.45Å; M1-F9 WeakPolarHBondContact O-CB 3.4Å; M1-F9 PolarHBondContact O-N 3.45Å; L3-F9 HydrophobicContact CD1-CB 3.99Å; L3-F9 HydrophobicContact CD2-CB 4.46Å; L3-F9 HydrophobicContact CG-CB 4.12Å; F9-P16 HydrophobicContact CE2-CB 3.55Å; F9-P16 HydrophobicContact CZ-CB 3.54Å; F9-R17 WeakPolarHBondContact CA-O 3.44Å; F9-L18 HydrophobicContact CB-CD1 4.09Å
10E87.7Confident81.2Confident92 Ų9294.6 Ų94.643%0.4350%0.504SS..EExtended strand (participates in β ladder)trans-133146-177.6-172.3166.1-175.200110.7R17 I19E10-R17 PolarHBondContact N-O 2.91Å; E10-R17 PolarHBondContact O-N 3.14Å; E10-I19 HydrophobicContact CB-CD1 4.25Å; E10-I19 WeakPolarHBondContact OE2-CD1 3.4Å
11L86.4Confident80.9Confident109 Ų10993 Ų9357%0.57150%0.495SS*.EExtended strand (participates in β ladder)trans-110.169-174.9-165.976.8000111N13L11-N13 PolarHBondContact O-N 3.16Å
12E68.9Low80Confident78 Ų7891 Ų9136%0.36449%0.492SS..EExtended strand (participates in β ladder)trans-74.2122-178.8-162.7-164112.900110.4G14 K15 R17E12-G14 PolarHBondContact O-N 3.09Å; E12-K15 PolarHBondContact N-O 2.79Å; E12-K15 PolarHBondContact O-N 2.97Å; E12-R17 HydrophobicContact CB-CG 4.25Å; E12-R17 IonicContact OE1-NH1 2.76Å; E12-R17 PolarHBondContact OE1-NH1 3.18Å; E12-R17 VanDerWaalsContact OE2-CD 3.24Å; E12-R17 WeakPolarHBondContact OE2-CD 3.31Å; E12-R17 IonicContact OE2-CZ 2.68Å; E12-R17 IonicContact OE2-NE 3.86Å; E12-R17 IonicContact OE2-NH1 3.25Å; E12-R17 PolarHBondContact OE2-NH1 2.81Å
13N66.3Low78.4Confident144 Ų14494.3 Ų94.377%0.7750%0.504SS*.THydrogen-bonded Turntrans52.537.4-179.5-57.7-53.9000113.7L11 K15L11-N13 PolarHBondContact O-N 3.16Å; N13-K15 PolarHBondContact O-N 3.4Å
14G79.4Confident76.3Confident59 Ų5993.4 Ų93.461%0.60851%0.512SS*.THydrogen-bonded Turntrans73.44.9-178.600000115E12E12-G14 PolarHBondContact O-N 3.09Å
15K75.5Confident74.9Confident153 Ų15395.8 Ų95.867%0.66554%0.536SS*.EExtended strand (participates in β ladder)trans-106.5132.4179.3-66.8177.7-177.91740110.4E12 N13 R17E12-K15 PolarHBondContact N-O 2.79Å; E12-K15 PolarHBondContact O-N 2.97Å; N13-K15 PolarHBondContact O-N 3.4Å; K15-R17 PolarHBondContact O-N 3.04Å
16P89.1Confident72.8Confident93 Ų9393.9 Ų93.960%0.60453%0.53SS*.EExtended strand (participates in β ladder)trans-68.7124.5177.928.2-34.2000110.3F9F9-P16 HydrophobicContact CE2-CB 3.55Å; F9-P16 HydrophobicContact CZ-CB 3.54Å
17R83.6Confident71Confident124 Ų12499.2 Ų99.247%0.46856%0.56SS.*EExtended strand (participates in β ladder)trans-120.2142.8172.1-56.1-170.775167.9-4.6108.8F9 E10 E12 K15F9-R17 WeakPolarHBondContact CA-O 3.44Å; E10-R17 PolarHBondContact N-O 2.91Å; E10-R17 PolarHBondContact O-N 3.14Å; E12-R17 HydrophobicContact CB-CG 4.25Å; E12-R17 IonicContact OE1-NH1 2.76Å; E12-R17 PolarHBondContact OE1-NH1 3.18Å; E12-R17 VanDerWaalsContact OE2-CD 3.24Å; E12-R17 WeakPolarHBondContact OE2-CD 3.31Å; E12-R17 IonicContact OE2-CZ 2.68Å; E12-R17 IonicContact OE2-NE 3.86Å; E12-R17 IonicContact OE2-NH1 3.25Å; E12-R17 PolarHBondContact OE2-NH1 2.81Å; K15-R17 PolarHBondContact O-N 3.04Å
18L89.8Confident68.7Low104 Ų104105.6 Ų105.655%0.54559%0.585SS.*EExtended strand (participates in β ladder)trans-115.7127.9172.6-16673000108.1L3 L7 L8 F9L3-L18 HydrophobicContact CD1-CD1 3.87Å; L7-L18 HydrophobicContact CB-CD1 4.36Å; L7-L18 HydrophobicContact CD1-CD2 4.46Å; L7-L18 HydrophobicContact CD2-CD2 4.07Å; L7-L18 HydrophobicContact CD2-CG 4.13Å; L8-L18 WeakPolarHBondContact O-CA 3.48Å; F9-L18 HydrophobicContact CB-CD1 4.09Å
19I84.8Confident66.2Low67 Ų67110.5 Ų110.534%0.34461%0.612SS.*EExtended strand (participates in β ladder)trans-126.8136.1-169.9-55.3177.4000108.3L8 E10 L21L8-I19 PolarHBondContact N-O 3.08Å; L8-I19 PolarHBondContact O-N 3.43Å; E10-I19 HydrophobicContact CB-CD1 4.25Å; E10-I19 WeakPolarHBondContact OE2-CD1 3.4Å; I19-L21 PolarHBondContact O-N 3.02Å
20L80.8Confident64.4Low120 Ų120112.2 Ų112.263%0.62863%0.631SS**EExtended strand (participates in β ladder)trans-78.4112.7175.1-160.776.2000109.4G6 L7 T22G6-L20 CarbonylContact O-C 3.47Å; G6-L20 WeakPolarHBondContact O-CA 3.4Å; G6-L20 WeakPolarHBondContact O-CD1 3.43Å; L7-L20 HydrophobicContact CD2-CD1 3.69Å; L7-L20 HydrophobicContact CG-CD1 4.26Å; L20-T22 PolarHBondContact O-N 2.94Å; L20-T22 VanDerWaalsContact O-N 3.17Å
21L73.8Confident62Low62 Ų62116.1 Ų116.133%0.32565%0.653SS.*  trans-78.293.7-179.8-165.674.5000109.7G6 L8 I19 H23G6-L21 PolarHBondContact O-N 3.34Å; L8-L21 HydrophobicContact CB-CB 4.42Å; L8-L21 HydrophobicContact CB-CD1 4.33Å; L8-L21 HydrophobicContact CD2-CD1 4.22Å; I19-L21 PolarHBondContact O-N 3.02Å; L21-H23 PolarHBondContact O-CD2 2.98Å; L21-H23 VanDerWaalsContact O-CD2 3.3Å; L21-H23 PolarHBondContact O-N 2.92Å
22T62.6Low60Low119 Ų119119.7 Ų119.773%0.7366%0.664SS**  trans-69.198.6-18052.80000111.4L20 A24L20-T22 PolarHBondContact O-N 2.94Å; L20-T22 VanDerWaalsContact O-N 3.17Å; T22-A24 PolarHBondContact O-N 3.3Å
23H46.7Very low58.6Low157 Ų157123.5 Ų123.573%0.72769%0.686SS**  trans-67.292.1171.6-74.4-93.8000110.8L21L21-H23 PolarHBondContact O-CD2 2.98Å; L21-H23 VanDerWaalsContact O-CD2 3.3Å; L21-H23 PolarHBondContact O-N 2.92Å
24A40.8Very low57.4Low84 Ų84121.4 Ų121.469%0.69468%0.68SS**  trans-136.287.117900000111.2T22 V26T22-A24 PolarHBondContact O-N 3.3Å; A24-V26 PolarHBondContact O-N 3.04Å
25G40.1Very low55.2Low84 Ų84122.5 Ų122.587%0.86668%0.678SS**  trans-81.983.5172.800000112.6
26V32.6Very low53.1Low123 Ų123123.9 Ų123.975%0.74568%0.684SS**  trans-147.7128.7156.2168.80000108.9A24A24-V26 PolarHBondContact O-N 3.04Å
27V42.2Very low50.4Low128 Ų128129 Ų12978%0.77670%0.7SS**  trans-76.1128.7177.4179.10000111.2
28K39.2Very low47.9Very low190 Ų190134.6 Ų134.683%0.82672%0.721SS**  trans-159.3140.9154.6-101.8137.1-173.2177.20110
29N34.3Very low45.4Very low149 Ų149134.3 Ų134.380%0.79773%0.734SS**  trans-79.9154-166.9-75.5-41.9000114
30P47.4Very low42.9Very low117 Ų117135.8 Ų135.876%0.7676%0.756SS**  trans-83.5138.7-172.832.6-35.6000113.8
31I38.2Very low40.6Very low174 Ų174134.6 Ų134.689%0.89276%0.758SS**  trans-112.4145164.3-63.7179000108.2
32K44.5Very low38.8Very low184 Ų184138.5 Ų138.580%0.878%0.777SS**  trans-95175.9-162.2-61.6177-179.6176.40113.8
33L39.5Very low37.4Very low158 Ų158140.6 Ų140.683%0.82778%0.783SS**  trans93.9161.4158.5-47.9-177.7000116.5
34P40.3Very low36.6Very low100 Ų100138.1 Ų138.165%0.64978%0.784SS**  -141.6160.3-68.739.9-24.2000115.4
35S34.2Very low36Very low83 Ų83138.4 Ų138.458%0.5879%0.786SS**  trans44.1127.4143.183.30000119.7
36K31.4Very low35.6Very low182 Ų182146.1 Ų146.179%0.79179%0.789SS**  -175.7155.768.5-84128-174.4173.20109
37H32.2Very low35.6Very low201 Ų201148.9 Ų148.993%0.93179%0.794SS**  -156.5149.9122.2-108.8-77.5000109.9
38R31Very low35.4Very low240 Ų240148.8 Ų148.891%0.90680%0.796SS**  trans-113144.5-168179.6-179.5179.9175.60.9110.1
39A36.3Very low34.7Very low98 Ų98145.3 Ų145.381%0.8180%0.795SS**  trans-101.1139.1-179.600000113.1
40A31.8Very low34.3Very low99 Ų99143.6 Ų143.682%0.81879%0.794SS**  trans177.4166.3160.500000109.2
41S33.8Very low33.4Very low94 Ų94144.9 Ų144.966%0.65779%0.794SS**  cis-175.6119.1-39.8-174.40000109.9
42I34.6Very low32.7Very low145 Ų145145.7 Ų145.774%0.74479%0.793SS**  trans63.2132.8157.5-57.8167.9000116.5
43L34Very low32.1Very low163 Ų163145.1 Ų145.185%0.85379%0.794SS**  -170.7149.191.2-75.8160000107.1
44S30.4Very low31.4Very low105 Ų105143.7 Ų143.773%0.73479%0.791SS**  cis97141.618.7-159.40000116
45A28.6Very low30.7Very low90 Ų90147.5 Ų147.574%0.74480%0.8SS**  trans70.9149.9-176.700000116.6
46R31.6Very low30.8Very low245 Ų245148.8 Ų148.893%0.92581%0.807SS**  cis-155.6167.7-3.3-131.7173.6-168.3-1384.3111.8
47Q32.8Very low30.5Very low182 Ų182147.7 Ų147.785%0.8580%0.804SS**  trans-88.4160166.6-69.4180-52.600112.3
48P36.3Very low30.2Very low126 Ų126146 Ų14682%0.81880%0.797SS**  trans-93.8160.3151.837.2-30.5000112.2
49S26.5Very low30Very low117 Ų117143.2 Ų143.282%0.81879%0.786SS**  trans-122.9172.2174.663.40000111.8
50C24.6Very low29.4Very low112 Ų112145 Ų14576%0.75779%0.788SS**  trans-63.8174.9162.1-41.20000110.6
51L28.3Very low29.1Very low145 Ų145144.8 Ų144.876%0.75979%0.786SS**  cis-162.9141.16.8-151.6168.8000107.7
52E24.7Very low28.8Very low190 Ų190147.9 Ų147.989%0.88879%0.79SS**  trans-157.3158.3147.9-146.3162.7130.500111.1
53E30.3Very low28.6Very low172 Ų172149.2 Ų149.280%0.80479%0.793SS**  trans-140.1121.1-164.6174.5-179.5-161.200110.8
54V25.4Very low28.3Very low129 Ų129146.1 Ų146.178%0.78279%0.791SS**  trans-146124166-177.60000110.1
55Q26.9Very low28.1Very low180 Ų180145.5 Ų145.584%0.84179%0.792SS**  trans-116.7153.6152.9-80.3-122.578.500108.1
56P34.6Very low28Very low110 Ų110153 Ų15371%0.71480%0.801SS**  -141.4179.1110.339-26.9000114.6
57E26.1Very low27.8Very low158 Ų158144.3 Ų144.374%0.73879%0.787SS**  trans-51.1160.7169.1-60.2-177.690.800112.4
58E24.8Very low28.3Very low167 Ų167141.4 Ų141.478%0.7879%0.785SS**  -157.2-16261.9-131.3-159.8130.200116.7
59R27.5Very low28Very low180 Ų180145.5 Ų145.568%0.67978%0.784SS**  trans-105.1164.1-145.2-68.8165.3172150.6-3.4117.1
60T23.9Very low28.1Very low136 Ų136146.5 Ų146.583%0.83478%0.775SS**  trans81.2154.4138.932.30000122.6
61A26.3Very low28.2Very low94 Ų94147.5 Ų147.578%0.77778%0.778SS**  trans75.4148.5162.600000119
62Q27.1Very low28.3Very low160 Ų160151.6 Ų151.675%0.74878%0.783SS**  cis-173.9147.5-42.3-125.8-168.622.800108.4
63Q30.8Very low28.3Very low173 Ų173147.7 Ų147.781%0.80878%0.775SS**  trans64.9162.7165.1-51.8173.83600115.2
64A28.1Very low28.1Very low98 Ų98149 Ų14981%0.8178%0.778SS**  cis-137166.80.900000112.1
65A25Very low28Very low91 Ų91147 Ų14775%0.75278%0.776SS**  trans-82.7155.3-17500000115
66R27.2Very low28Very low248 Ų248143 Ų14394%0.93677%0.773SS**  -179.4141.3116.7-100.5176.1-175.5-126.82.5114.7
67G27Very low27.6Very low62 Ų62142.9 Ų142.964%0.63978%0.782SS**  trans-122.6-160.9141.400000108.5
68P42.8Very low27.7Very low122 Ų122140 Ų14079%0.79279%0.785SS**  cis-137.7176.2-3.642.1-25.6000115.9
69R31Very low28.1Very low212 Ų212136.3 Ų136.380%0.878%0.783SS**  trans67.5135.7143.1-89.9-180169.2-144.511124.4
70E28.7Very low28.3Very low138 Ų138133.3 Ų133.365%0.64579%0.789SS**  trans95.2164132-84.4178.7-131.700124.1
71V26.7Very low28.7Very low133 Ų133131.5 Ų131.581%0.80678%0.783SS**  trans80.4128.9179.8-169.90000116.7
72R30Very low28.7Very low230 Ų230133.1 Ų133.187%0.86879%0.787SS**  cis112.9120.8-7.4-173.3-178.4170.8-10712.4115.3
73C24.8Very low28.7Very low108 Ų108130.4 Ų130.473%0.7379%0.785SS**  cis-172.2168.3-20-164.80000109.8
74K25Very low28.5Very low199 Ų199127.8 Ų127.887%0.86579%0.786SS**  trans71.6176167.4-55.9176.8173.8-179.50115.9
75A24.3Very low28.3Very low89 Ų89127.7 Ų127.774%0.73678%0.779SS**  cis-158.1157.8-11.300000107.1
76A26.6Very low28.5Very low95 Ų95131 Ų13179%0.78578%0.783SS**  cis93.1153.237.500000115.5
77A25.8Very low28.4Very low108 Ų108124 Ų12489%0.89377%0.772SS**  trans79.7152.7-173.400000115.7
78A29.6Very low28.5Very low98 Ų98127.5 Ų127.581%0.8178%0.781SS**  cis-170.8174.4-6.300000108.7
79A31.7Very low27.7Very low88 Ų88127.3 Ų127.373%0.72778%0.778SS**  cis-172.7-174.2-23.800000109.8
80S33.2Very low27.6Very low117 Ų117124.3 Ų124.382%0.81878%0.778SS**  trans73.4146.6170.9-59.80000118.1
81S31.4Very low27.4Very low99 Ų99120.9 Ų120.969%0.69278%0.779SS**  cis-159.4166.90.4-1070000112.6
82C26.5Very low27.6Very low128 Ų128126 Ų12687%0.86578%0.784SS**  trans54.4152.4168.548.30000120.2
83S26.8Very low27.6Very low102 Ų102119.6 Ų119.671%0.71377%0.774SS**  cis-163.7147.2-4.842.60000111.4
84S25.8Very low27.6Very low118 Ų118119.2 Ų119.283%0.82577%0.773SS**  trans49.7149.7149.2-57.90000122.1
85S25Very low27.6Very low96 Ų96116.5 Ų116.567%0.67177%0.772SS**  cis-169.7-175.2-16.355.90000109.4
86I28.5Very low27.8Very low162 Ų162119.7 Ų119.783%0.83178%0.777SS**  trans58.8145.4-176.669.3160000116.5
87S26.3Very low27.7Very low101 Ų101123.3 Ų123.371%0.70678%0.783SS**  cis-176.9147.8-20.854.40000107.4
88T28.1Very low27.6Very low135 Ų135123.1 Ų123.183%0.82878%0.775SS**  cis-129-166.12.755.30000110.7
89T27Very low27.4Very low117 Ų117123.8 Ų123.872%0.71877%0.774SS**  trans-140.5-178.8-172.565.30000110.5
90D27.3Very low27.1Very low150 Ų150128 Ų12880%0.80278%0.776SS**  cis-154.4179.921.3-130.2-49.4000114.6
91G26Very low26.8Very low65 Ų65128 Ų12867%0.6777%0.771SS**  trans-128.6-157.8-175.700000116.8
92R29.5Very low26.8Very low242 Ų242129.3 Ų129.391%0.91378%0.777SS**  trans-47155.7163.5-86.6175.5165.3-178.7-6.5112.2
93S29.7Very low26.7Very low94 Ų94126.1 Ų126.166%0.65777%0.765SS**  cis-176.6173.63.944.40000112.5
94S26.3Very low26.9Very low101 Ų101132.4 Ų132.471%0.70677%0.774SS**  trans68133.9142.666.50000121.5
95V23.6Very low27Very low141 Ų141134.2 Ų134.286%0.85577%0.769SS**  -137.2143125.5167.20000107.8
96L29.9Very low27.5Very low157 Ų157137.1 Ų137.182%0.82277%0.769SS**  trans-92150.2168.9-73.8165.9000110.1
97N23.1Very low27.7Very low170 Ų170134.6 Ų134.691%0.90975%0.754SS**  trans-140.7148.7142.9-108.2-24.7000109.7
98S23.8Very low28.1Very low104 Ų104139.6 Ų139.673%0.72776%0.757SS**  trans-131.2156.6-167.6-177.50000110.6
99S25.9Very low28.3Very low113 Ų113137.7 Ų137.779%0.7976%0.755SS**  trans71.2159.9165.486.50000116.3
100K24.4Very low28.6Very low176 Ų176138.3 Ų138.377%0.76576%0.764SS**  cis-176.3152.2-26.5172170179.8177.40108.5
101T28.4Very low28.8Very low117 Ų117141.3 Ų141.372%0.71877%0.77SS**  trans64.4163169.533.90000116.7
102P31.7Very low28.8Very low126 Ų126142.6 Ų142.682%0.81877%0.774SS**  cis-101.2164.52.339.4-32.8000114.3
103G24.1Very low28.6Very low61 Ų61140.2 Ų140.263%0.62978%0.776SS**  cis103.164-5.700000115.9
104R31.3Very low28.6Very low235 Ų235140.4 Ų140.489%0.88778%0.784SS**  trans-157.4128.4156.9-113.6170.3-152.6-76.4-2.2107.8
105H27.9Very low28.6Very low155 Ų155145 Ų14572%0.71879%0.791SS**  46.8124.556.5-92-16.7000110.8
106K34.1Very low28.8Very low157 Ų157144.2 Ų144.268%0.68379%0.786SS**  cis-170.7-179.619.3-134.4169.2172.5-142.10104.7
107E33.7Very low28.7Very low110 Ų110145.3 Ų145.351%0.51478%0.784SS.*  cis-164.3-17610-156.2165-106.400107.8
108R34Very low29.2Very low206 Ų206142.6 Ų142.678%0.77777%0.774SS**  trans47.8102.8158.3-73.1147.2-172.4-87.2-2.1117.5
109A31.7Very low29.2Very low94 Ų94144.4 Ų144.478%0.77778%0.775SS**  60.9120.46100000115.9
110S33.5Very low29.5Very low131 Ų131146.5 Ų146.592%0.91677%0.77SS**  trans-163.1162.7143.9-84.90000111
111K31.3Very low29.7Very low212 Ų212145.2 Ų145.292%0.92277%0.767SS**  trans-112.5140.8-166.2-54.7168.8-178.9174.20112.7
112A27.3Very low30Very low92 Ų92148.2 Ų148.276%0.7677%0.77SS**  trans-166.9124.3149.200000107.2
113M24.5Very low30Very low192 Ų192150 Ų15095%0.94677%0.772SS**  81.4144.760.6-78.6-155.617200115.1
114A29.2Very low30.3Very low99 Ų99151.7 Ų151.782%0.81877%0.774SS**  trans72.6115.1-16700000114.3
115K26.4Very low30.1Very low196 Ų196146.3 Ų146.385%0.85277%0.772SS**  cis78.3138.420.8-141.2-179.4-170.3178.10113
116V28.4Very low30.2Very low125 Ų125143.2 Ų143.276%0.75877%0.774SS**  trans76.1139.4169.6168.20000113.7
117K28.1Very low30.1Very low180 Ų180142.5 Ų142.578%0.78378%0.782SS**  cis-157.2160.313.5-133.4163.2-166.5173.10114.4
118T32.6Very low29.8Very low113 Ų113140.3 Ų140.369%0.69379%0.789SS**  trans15.3132.2141.959.90000122
119N24.8Very low30.6Very low142 Ų142136.2 Ų136.276%0.75979%0.789SS**  90.5153.780.5-159.114.9000115.6
120K32.8Very low30.5Very low158 Ų158140.4 Ų140.469%0.68780%0.797SS**  trans-48.2144.5-175.8-54.4157.6174.3177.10116.3
121H29.1Very low30.3Very low149 Ų149137.9 Ų137.969%0.6979%0.792SS**  162.8148.197.8-95-58.5000116.8
122K34.2Very low30.4Very low180 Ų180133.3 Ų133.378%0.78379%0.787SS**  trans55.7130.9142.3-69.9-180176.7-176.80122.6
123L31.8Very low31.3Very low164 Ų164134.1 Ų134.186%0.85978%0.784SS**  -137.9121.9121.1-73.1-175.8000105.9
124S29.3Very low31.4Very low96 Ų96135.7 Ų135.767%0.67178%0.78SS**  49.9127.389.368.80000113.9
125S28.5Very low31.4Very low121 Ų121141 Ų14185%0.84678%0.779SS**  cis-152.2-173.412.3-131.70000109.6
126A28.2Very low31.4Very low91 Ų91136.7 Ų136.775%0.75277%0.769SS**  cis-143.9-127.916.800000114.1
127V32.3Very low31.3Very low141 Ų141137.3 Ų137.386%0.85577%0.768SS**  trans-139.5146.4-160.9178.90000110.7
128G27.2Very low31.3Very low65 Ų65136.4 Ų136.467%0.6777%0.771SS**  trans-96.5-134.4174.900000113.4
129P51.3Low31.2Very low120 Ų120140 Ų14078%0.77978%0.777SS**  cis-142.1-178.66.143.8-25.5000117.1
130L30.8Very low32.3Very low181 Ų181138.6 Ų138.695%0.94878%0.776SS**  trans70.1132.1147.9-131.672.9000120.6
131G27.6Very low32Very low78 Ų78138.9 Ų138.980%0.80479%0.785SS**  trans153.7128.8161.700000117.6
132S34Very low32Very low117 Ų117135 Ų13582%0.81878%0.784SS**  trans-155.8159.3165.5-167.70000106
133P47.3Very low31.9Very low108 Ų108133.9 Ų133.970%0.70178%0.782SS**  cis-136.6-165.97.138.7-17.3000115.2
134R24.8Very low31.8Very low225 Ų225136.7 Ų136.785%0.84978%0.781SS**  trans78.1107.7138.6-160.4-177.6-160.5-134.48.4122.4
135R29.3Very low31.8Very low212 Ų212135.2 Ų135.280%0.878%0.782SS**  trans59.8146.5142.1-80.1-166.9170.2-130.10.5123.1
136T26.8Very low31.8Very low105 Ų105138 Ų13864%0.64479%0.787SS**  trans65.2143.6150.245.70000117.7
137D26.6Very low32Very low137 Ų137137 Ų13773%0.73379%0.785SS**  cis-161.7-177.90.2-111.1-27.8000111.6
138L28.9Very low31.9Very low162 Ų162136.8 Ų136.885%0.84878%0.784SS**  trans113.4150.4151.7-59.2-179.6000120.7
139F29.6Very low32.1Very low189 Ų189141.6 Ų141.683%0.82979%0.794SS**  trans-100.6-172.7-170.2-66.9-101.6000112.8
140P46.9Very low31Very low111 Ų111143.8 Ų143.872%0.72179%0.794SS**  -139.6149.399.838.3-27.2000116.6
141N28.3Very low31.6Very low165 Ų165140.1 Ų140.188%0.88278%0.781SS**  trans40.1137145.3-52.1-16.2000121.8
142G29.3Very low31.5Very low66 Ų66142 Ų14268%0.6878%0.776SS**  cis163.1178.9-4.300000114
143E31Very low31.2Very low158 Ų158144.1 Ų144.174%0.73878%0.778SS**  trans72.5141165.5-54.6-150.984.700118.5
144R30.3Very low30.4Very low222 Ų222144.2 Ų144.284%0.83878%0.781SS**  cis-166.8149-10.4171.7-175.7-70.2-120.78.6110.3
145G28.2Very low30.5Very low66 Ų66138 Ų13868%0.6877%0.772SS**  trans119.5117.9177.200000111.8
146D30.1Very low30.6Very low178 Ų178134 Ų13495%0.95277%0.771SS**  cis57.7130.946.4-79.7-4.6000114.8
147G31.3Very low30.9Very low70 Ų70135.8 Ų135.872%0.72278%0.776SS**  cis-176.7167.4-1.800000114.8
148V29.9Very low31.3Very low137 Ų137133.5 Ų133.583%0.8378%0.776SS**  trans-32.4135.3179.1-179.20000117.6
149L31.4Very low31.3Very low167 Ų167128.8 Ų128.887%0.87477%0.767SS**  -179162.7126.7-97.5171.5000114.6
150Q28.1Very low31.5Very low166 Ų166127.9 Ų127.978%0.77677%0.77SS**  trans-119.7177.3174-83.6-891100108.1
151P44.5Very low31.1Very low104 Ų104129.7 Ų129.768%0.67577%0.766SS**  cis-131.6-148.8-16.527-2000111.9
152V24.8Very low31.4Very low117 Ų117127.9 Ų127.971%0.70976%0.757SS**  trans105.8107.1152179.50000118.7
153L28.3Very low31.7Very low162 Ų162128.4 Ų128.485%0.84876%0.762SS**  trans43.1143.3136.4-54179.4000120.7
154S29Very low32Very low110 Ų110127.6 Ų127.677%0.76976%0.763SS**  cis-153.6171.80.649.40000107.8
155S27.8Very low32.7Very low95 Ų95122.9 Ų122.966%0.66476%0.758SS**  -177.7136.950.4-178.60000111.9
156V31.4Very low33.6Very low127 Ų127124.9 Ų124.977%0.7776%0.757SS**  trans48.9133.1139.8175.90000119.6
157D33.7Very low34.2Very low142 Ų142121.2 Ų121.276%0.75975%0.745SS**  cis176.9174.3-25.2-118.6-60.7000106.1
158A34.8Very low35.2Very low89 Ų89121.9 Ų121.974%0.73673%0.734SS**  cis-151.2177.4-500000106.5
159G29.5Very low37.1Very low63 Ų63118.9 Ų118.965%0.64972%0.717SS**  cis-161.9152.2-200000108.9
160L33.7Very low38.4Very low170 Ų170113.2 Ų113.289%0.8970%0.698SS**  81116.472.2-156.291000111.2
161K37Very low40.4Very low149 Ų149112.1 Ų112.165%0.64869%0.693SS**  cis-159.6178.7-4.9-118.1-71178.1-179.90110.9
162D34.8Very low41.3Very low127 Ų127111.8 Ų111.868%0.67968%0.682SS**  trans-34.5152.5154-26.4-25.5000112.3
163G36.2Very low43.5Very low77 Ų77110.7 Ų110.779%0.79467%0.672SS**  cis119.2119.515.200000109.7
164D36.9Very low45.3Very low141 Ų141110.5 Ų110.575%0.75466%0.66SS**  trans-145.4135.1175.5-167.86000110V166D164-V166 WeakPolarHBondContact OD2-CG2 3.37Å
165V46.5Very low47.1Very low123 Ų123111.8 Ų111.875%0.74565%0.654SS**  trans-118.275.1-178.3179.80000108.1C167V165-C167 VanDerWaalsContact C-N 3.31Å; V165-C167 PolarHBondContact O-N 3.07Å
166V45.7Very low49.2Very low109 Ų109111.8 Ų111.866%0.66165%0.646SS**  trans-78.285.2168.8-175.10000108.5D164 V168D164-V166 WeakPolarHBondContact OD2-CG2 3.37Å; V166-V168 VanDerWaalsContact C-N 3.34Å; V166-V168 PolarHBondContact O-N 2.94Å
167C44Very low51Low101 Ų101110.5 Ų110.568%0.68263%0.634SS**  trans-66.591170.2-76.30000110.3V165 T169V165-C167 VanDerWaalsContact C-N 3.31Å; V165-C167 PolarHBondContact O-N 3.07Å; C167-T169 PolarHBondContact O-N 3.43Å
168V51.2Low52.1Low83 Ų83106.7 Ų106.750%0.50362%0.619SS.*  trans-52.3122.5167177.50000108.5V166 Q172V166-V168 VanDerWaalsContact C-N 3.34Å; V166-V168 PolarHBondContact O-N 2.94Å; V168-Q172 HydrophobicContact CG1-CB 3.55Å
169T70.2Confident53Low75 Ų75105.8 Ų105.846%0.4661%0.607SS.*  trans-72.8156.9-173.567.70000111C167 E171 Q172 L173C167-T169 PolarHBondContact O-N 3.43Å; T169-E171 PolarHBondContact O-N 3.46Å; T169-Q172 PolarHBondContact O-N 2.97Å; T169-Q172 VanDerWaalsContact O-N 3.07Å; T169-L173 PolarHBondContact O-N 3.24Å
170G59.2Low54.2Low47 Ų47107.2 Ų107.249%0.48560%0.599SS.*THydrogen-bonded Turntrans-61.4-8.8179.200000114.6R174G170-R174 WeakPolarHBondContact O-CG 3.22Å; G170-R174 PolarHBondContact O-NE 2.76Å; G170-R174 PolarHBondContact O-NH2 3.23Å
171E69.2Low55.2Low143 Ų143104.3 Ų104.367%0.66859%0.588SS**THydrogen-bonded Turntrans-86.9-47.8172.2-71.7169.6-171.600111T169 L173 R174 E175T169-E171 PolarHBondContact O-N 3.46Å; E171-L173 VanDerWaalsContact C-N 3.26Å; E171-L173 PolarHBondContact O-N 2.91Å; E171-R174 VanDerWaalsContact CG-NH2 3.26Å; E171-R174 WeakPolarHBondContact O-CA 3.48Å; E171-R174 WeakPolarHBondContact O-CB 3.44Å; E171-R174 PolarHBondContact O-N 2.81Å; E171-E175 PolarHBondContact O-N 3.48Å
172Q64.3Low55.7Low97 Ų97102.8 Ų102.845%0.45359%0.591SS.*Hα-helixtrans-58.5-36.7172.6-67.4173.5-4300112.3V168 T169 R174 E175 L176V168-Q172 HydrophobicContact CG1-CB 3.55Å; T169-Q172 PolarHBondContact O-N 2.97Å; T169-Q172 VanDerWaalsContact O-N 3.07Å; Q172-R174 VanDerWaalsContact C-N 3.34Å; Q172-E175 PolarHBondContact O-N 3.36Å; Q172-L176 PolarHBondContact O-N 3.25Å
173L70.6Confident56Low94 Ų94101.3 Ų101.349%0.49259%0.591SS.*Hα-helixtrans-67-34.4174.3-17462.7000112.4T169 E171 L177T169-L173 PolarHBondContact O-N 3.24Å; E171-L173 VanDerWaalsContact C-N 3.26Å; E171-L173 PolarHBondContact O-N 2.91Å; L173-L177 HydrophobicContact CG-CD1 4.25Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.9Å
174R66.8Low56.2Low159 Ų159104 Ų10460%0.659%0.592SS**Hα-helixtrans-72.4-32.5174.4-79.5177.8-73.5-177.52.9112.1G170 E171 Q172 L177 S178G170-R174 WeakPolarHBondContact O-CG 3.22Å; G170-R174 PolarHBondContact O-NE 2.76Å; G170-R174 PolarHBondContact O-NH2 3.23Å; E171-R174 VanDerWaalsContact CG-NH2 3.26Å; E171-R174 WeakPolarHBondContact O-CA 3.48Å; E171-R174 WeakPolarHBondContact O-CB 3.44Å; E171-R174 PolarHBondContact O-N 2.81Å; Q172-R174 VanDerWaalsContact C-N 3.34Å; R174-L177 PolarHBondContact O-N 2.91Å; R174-S178 WeakPolarHBondContact O-CB 3.37Å; R174-S178 PolarHBondContact O-N 2.94Å; R174-S178 PolarHBondContact O-OG 3.21Å; R174-S178 VanDerWaalsContact O-OG 3.05Å
175E65.3Low56.6Low137 Ų137100.3 Ų100.364%0.6459%0.587SS**Hα-helixtrans-69.2-37.1172.8-165.2166.9-150.200112.2E171 Q172 S178 S179E171-E175 PolarHBondContact O-N 3.48Å; Q172-E175 PolarHBondContact O-N 3.36Å; E175-S178 WeakPolarHBondContact CA-OG 3.28Å; E175-S178 PolarHBondContact O-OG 2.95Å; E175-S178 VanDerWaalsContact O-OG 3.13Å; E175-S179 WeakPolarHBondContact O-CB 3.35Å; E175-S179 PolarHBondContact O-N 3.01Å; E175-S179 PolarHBondContact O-OG 2.83Å
176L71.9Confident55.7Low94 Ų94100 Ų10049%0.49259%0.59SS.*Hα-helixtrans-63.7-45.4169.3-111.1162.3000112.1Q172 S179 I180Q172-L176 PolarHBondContact O-N 3.25Å; L176-S179 WeakPolarHBondContact CA-OG 3.42Å; L176-S179 PolarHBondContact O-OG 3.28Å; L176-I180 HydrophobicContact CD2-CD1 4.1Å; L176-I180 WeakPolarHBondContact O-CD1 3.39Å; L176-I180 VanDerWaalsContact O-CG1 3.22Å; L176-I180 WeakPolarHBondContact O-CG1 3.45Å; L176-I180 PolarHBondContact O-N 3.26Å; L176-I180 VanDerWaalsContact O-N 3.09Å
177L69.1Low54.9Low100 Ų10098.9 Ų98.952%0.52459%0.592SS.*Hα-helixtrans-72.4-31.1-179.2-69.4169.1000113.2L173 R174 T181L173-L177 HydrophobicContact CG-CD1 4.25Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.9Å; R174-L177 PolarHBondContact O-N 2.91Å; L177-T181 WeakPolarHBondContact O-CG2 3.24Å; L177-T181 PolarHBondContact O-N 3.47Å; L177-T181 VanDerWaalsContact O-N 3.16Å; L177-T181 PolarHBondContact O-OG1 3.39Å
178S58.5Low54.3Low63 Ų63103.4 Ų103.444%0.44160%0.602SS.*Hα-helixtrans-73.4-39.6173.661.10000112.4R174 E175 T181 V182R174-S178 WeakPolarHBondContact O-CB 3.37Å; R174-S178 PolarHBondContact O-N 2.94Å; R174-S178 PolarHBondContact O-OG 3.21Å; R174-S178 VanDerWaalsContact O-OG 3.05Å; E175-S178 WeakPolarHBondContact CA-OG 3.28Å; E175-S178 PolarHBondContact O-OG 2.95Å; E175-S178 VanDerWaalsContact O-OG 3.13Å; S178-T181 WeakPolarHBondContact CA-OG1 3.34Å; S178-T181 PolarHBondContact O-N 2.96Å; S178-T181 PolarHBondContact O-OG1 3.47Å; S178-T181 VanDerWaalsContact O-OG1 3.14Å; S178-V182 WeakPolarHBondContact O-CG2 3.4Å; S178-V182 PolarHBondContact O-N 2.87Å
179S53.8Low53.2Low69 Ų69111.2 Ų111.248%0.48362%0.623SS.*Hα-helixtrans-65.2-37.6174.452.40000113.1E175 L176 S183E175-S179 WeakPolarHBondContact O-CB 3.35Å; E175-S179 PolarHBondContact O-N 3.01Å; E175-S179 PolarHBondContact O-OG 2.83Å; L176-S179 WeakPolarHBondContact CA-OG 3.42Å; L176-S179 PolarHBondContact O-OG 3.28Å; S179-S183 PolarHBondContact O-N 3.25Å
180I52.8Low51.1Low94 Ų94110.7 Ų110.748%0.48263%0.633SS.*Hα-helixtrans-67-42.2174.4-66.6163.6000111.9L176 V182 S183L176-I180 HydrophobicContact CD2-CD1 4.1Å; L176-I180 WeakPolarHBondContact O-CD1 3.39Å; L176-I180 VanDerWaalsContact O-CG1 3.22Å; L176-I180 WeakPolarHBondContact O-CG1 3.45Å; L176-I180 PolarHBondContact O-N 3.26Å; L176-I180 VanDerWaalsContact O-N 3.09Å; I180-V182 PolarHBondContact O-N 2.68Å; I180-S183 VanDerWaalsContact O-CB 3.31Å; I180-S183 WeakPolarHBondContact O-CB 3.45Å; I180-S183 PolarHBondContact O-N 3.44Å; I180-S183 VanDerWaalsContact O-N 3.08Å
181T55.3Low50.6Low108 Ų108114 Ų11466%0.66365%0.646SS**Hα-helixtrans-70.5-27.8-177.643.60000113.7L177 S178 S183L177-T181 WeakPolarHBondContact O-CG2 3.24Å; L177-T181 PolarHBondContact O-N 3.47Å; L177-T181 VanDerWaalsContact O-N 3.16Å; L177-T181 PolarHBondContact O-OG1 3.39Å; S178-T181 WeakPolarHBondContact CA-OG1 3.34Å; S178-T181 PolarHBondContact O-N 2.96Å; S178-T181 PolarHBondContact O-OG1 3.47Å; S178-T181 VanDerWaalsContact O-OG1 3.14Å; T181-S183 VanDerWaalsContact C-N 3.29Å
182V48.7Very low48.5Very low118 Ų118114.9 Ų114.972%0.71565%0.65SS**Hα-helixtrans-71.1-241701740000112.1S178 I180S178-V182 WeakPolarHBondContact O-CG2 3.4Å; S178-V182 PolarHBondContact O-N 2.87Å; I180-V182 PolarHBondContact O-N 2.68Å
183S40.3Very low46.8Very low95 Ų95117.2 Ų117.266%0.66466%0.661SS**Hα-helixtrans-76.4-21.3-173.5-161.90000114.9S179 I180 T181 G185S179-S183 PolarHBondContact O-N 3.25Å; I180-S183 VanDerWaalsContact O-CB 3.31Å; I180-S183 WeakPolarHBondContact O-CB 3.45Å; I180-S183 PolarHBondContact O-N 3.44Å; I180-S183 VanDerWaalsContact O-N 3.08Å; T181-S183 VanDerWaalsContact C-N 3.29Å; S183-G185 VanDerWaalsContact C-N 3.26Å; S183-G185 PolarHBondContact O-N 3.26Å
184T40.5Very low45Very low133 Ų133120.2 Ų120.282%0.81667%0.672SS**THydrogen-bonded Turntrans-92.325.7-178.3-36.80000112.8
185G44.3Very low43.2Very low64 Ų64117.1 Ų117.166%0.6668%0.68SS**SBendtrans-127.423.1-167.500000116.3S183S183-G185 VanDerWaalsContact C-N 3.26Å; S183-G185 PolarHBondContact O-N 3.26Å
186C28.9Very low41.7Very low118 Ų118114.4 Ų114.480%0.79768%0.682SS**  trans-152133.2-179.5-145.50000115.4
187A28.7Very low39.7Very low85 Ų85119.4 Ų119.470%0.70270%0.703SS**  trans56158.614600000120.6
188Q30.4Very low37.7Very low195 Ų195118.4 Ų118.491%0.91172%0.716SS**  cis-152.3179-29.4-113.1-164.669.600107.7
189R28.8Very low36.3Very low247 Ų247119 Ų11993%0.93273%0.733SS**  trans-121.7135.6-177.7-170.1-168.1-151.3-145.67.4112.2
190G26.8Very low35.2Very low65 Ų65123.6 Ų123.667%0.6775%0.746SS**  trans93-178.4166.600000114.7
191P47.6Very low34.2Very low116 Ų116124.7 Ų124.775%0.75375%0.752SS**  cis-91.4-176.5-3.139.4-35.1000111.7
192E25.8Very low32.8Very low161 Ų161126.6 Ų126.675%0.75275%0.753SS**  cis-143.9-160.89.8-147.326.7-73.100107.2
193E28.6Very low31.9Very low146 Ų146126.6 Ų126.668%0.68275%0.754SS**  cis-147.1175.55.4-171.6154.2-165.700112.9
194Q33.1Very low31.4Very low158 Ų158129.2 Ų129.274%0.73876%0.76SS**  trans-38154.4171.5-54.3173.88000115.6
195A28.6Very low30.8Very low93 Ų93127.5 Ų127.577%0.76975%0.753SS**  cis-156.5160.431.700000116.8
196A32.4Very low29.9Very low81 Ų81130.3 Ų130.367%0.66976%0.757SS**  trans69.3111.314600000122.9
197Q31.4Very low29.9Very low199 Ų199129.8 Ų129.893%0.9376%0.755SS**  trans66.6136136.2-55.4173.221.100120.1
198G25.6Very low29.7Very low78 Ų78130.9 Ų130.980%0.80476%0.758SS**  cis164.6129.6-11.800000115.2
199G30.1Very low29.6Very low77 Ų77127 Ų12779%0.79475%0.747SS**  trans73.4163.1167.100000117.4
200Q30.6Very low29.6Very low164 Ų164122.9 Ų122.977%0.76674%0.744SS**  cis-156.2141.1-20.2-104.6-162.7-41.500109.3
201I31.4Very low29.6Very low117 Ų117123.3 Ų123.360%0.675%0.748SS**  trans31144.4138.1-22.5171.2000118.7
202H26.1Very low28.6Very low149 Ų149121 Ų12169%0.6975%0.746SS**  -171.7133.472.5-73.9-87.3000113.9
203T29.2Very low28.8Very low118 Ų118122.1 Ų122.172%0.72475%0.751SS**  trans31.9142.6137.8650000121.4
204N30.4Very low28.9Very low149 Ų149121.7 Ų121.780%0.79775%0.749SS**  cis-150.5-148.316.5-144.56.4000110.6
205S27.5Very low29Very low97 Ų97122.7 Ų122.768%0.67875%0.746SS**  cis-161.1178.311.9-148.20000114.7
206V26.8Very low28.9Very low123 Ų123125.6 Ų125.675%0.74574%0.744SS**  trans-83.4169.1170.1-87.50000113.1
207S27.4Very low28.8Very low108 Ų108129.8 Ų129.876%0.75575%0.753SS**  cis-174.1-172.2-5.6490000110.8
208S24.8Very low29Very low108 Ų108127.4 Ų127.476%0.75574%0.739SS**  trans92.4147.6153.9-1590000118.4
209V27.7Very low29.2Very low113 Ų113132.4 Ų132.469%0.68574%0.742SS**  cis177.6159.5-45.5138.30000108.8
210N29.3Very low29.4Very low160 Ų160134.3 Ų134.386%0.85673%0.734SS**  trans90.9140.2178-54.1-48.8000116.6
211G27.1Very low29.8Very low75 Ų75134.1 Ų134.177%0.77373%0.733SS**  cis161144.2-8.700000113.8
212G26.8Very low29.7Very low68 Ų68137.3 Ų137.370%0.70174%0.743SS**  trans88.7131.7-174.300000112.3
213E30.8Very low29.8Very low184 Ų184133.8 Ų133.886%0.8675%0.746SS**  cis65.9136.333.4-51.3-170.8116.600112.6
214E29.6Very low30Very low136 Ų136138 Ų13864%0.63676%0.758SS**  cis-153.5169.326-144.8-179.1-175.600114.4
215R34.7Very low29.9Very low180 Ų180139 Ų13968%0.67976%0.758SS**  trans25122.4148.8-82.2177.4-116.3-88.3-6.3120.9
216Q26.6Very low30.1Very low154 Ų154143.1 Ų143.172%0.7277%0.768SS**  85.4119.570.7179.9-169.4-3.100114.5
217I31.8Very low30.4Very low169 Ų169145.4 Ų145.487%0.86777%0.768SS**  trans-158.5143.5144-101.6151.8000108.3
218K34.7Very low30.4Very low148 Ų148150.1 Ų150.164%0.64378%0.778SS**  trans-117.1140.8169.7-57.4164.781.1-90.40107.9D220K218-D220 IonicContact NZ-OD1 3.2Å; K218-D220 PolarHBondContact NZ-OD1 3.37Å; K218-D220 IonicContact NZ-OD2 3.85Å; K218-D220 PolarHBondContact NZ-OD2 3.22Å
219E30.4Very low30.7Very low184 Ų184153.7 Ų153.786%0.8678%0.783SS**  trans-145.6126.7134.3-57.9-167.514500103.1
220D34.1Very low30.9Very low116 Ų116151.9 Ų151.962%0.6279%0.787SS**  cis61.713045.3-51.1-50.9000110.1K218K218-D220 IonicContact NZ-OD1 3.2Å; K218-D220 PolarHBondContact NZ-OD1 3.37Å; K218-D220 IonicContact NZ-OD2 3.85Å; K218-D220 PolarHBondContact NZ-OD2 3.22Å
221E38.2Very low31.3Very low161 Ų161152.1 Ų152.175%0.75279%0.788SS**  cis-157.9167.220.3-158-169.3-124.600111.6
222K30.4Very low31.7Very low184 Ų184156.8 Ų156.880%0.880%0.796SS**  trans65136.3170.5-60.7176.6-179.2168.60118.4
223G28.1Very low32.2Very low74 Ų74159.9 Ų159.976%0.76379%0.792SS**  cis114.3110-10.500000115.3
224E33Very low32.4Very low207 Ų207160.6 Ų160.697%0.96779%0.788SS**  trans-155.7170.7146.8-136.8171.5-133.100110.3
225E28.3Very low32.5Very low171 Ų171157.7 Ų157.780%0.79980%0.795SS**  trans-125.1131.9-148.6-178.1-163.9147.600113.7
226M31.9Very low32.5Very low183 Ų183160 Ų16090%0.90180%0.803SS**  trans-155.6104.7152.5-122.1-177.2-172.600114.5
227K32Very low33.2Very low171 Ų171160.2 Ų160.274%0.74381%0.809SS**  trans27.3116.9149.2-59.3-171.8175-166.80119.5
228Q28.1Very low33.7Very low206 Ų206160.9 Ų160.996%0.96381%0.808SS**  trans-99.6142.2139.3-71-176.8-71.800109.3
229E31.1Very low33.9Very low184 Ų184165.7 Ų165.786%0.8682%0.822SS**  trans-127.4145.6172-169.6163.1-160.700106.8
230G31.6Very low34.1Very low74 Ų74161.3 Ų161.376%0.76381%0.811SS**  trans-79.6159.4-157.700000116.3
231D37.7Very low34.8Very low165 Ų165161.7 Ų161.788%0.88282%0.823SS**  trans-72.5142.5161.9-63.5-60.7000110.5
232D35.7Very low34.7Very low174 Ų174162.9 Ų162.993%0.9383%0.826SS**  trans-161.3166.3130.6-120.2-28.7000112
233E38.1Very low35.3Very low132 Ų132158.2 Ų158.262%0.61782%0.817SS**  trans-114.5163.4-150.5-157.7-179.9-171.300116
234Y33.5Very low36Very low200 Ų200166.8 Ų166.878%0.78483%0.826SS**  trans69.5117.3171.1-46.8-81000117.9
235G33.5Very low36.1Very low75 Ų75165.2 Ų165.277%0.77382%0.817SS**  cis124.3149.1-8.800000114.5
236R34.1Very low37Very low227 Ų227166.9 Ų166.986%0.85782%0.821SS**  trans-173.6135.6154-173.9160.2-70.3-105.3-0.7112.3
237L42Very low37.4Very low160 Ų160167 Ų16784%0.83882%0.82SS**SBendtrans53.9104.4165-70.7165.6000118.1
238H41.8Very low38.3Very low182 Ų182167.2 Ų167.284%0.84382%0.816SS**  157.573.2109.8-165.8-87.3000113.1
239R38.2Very low39.2Very low250 Ų250166.2 Ų166.294%0.94380%0.803SS**  trans-151.3139.9169.5-133175.8-174.1-168.41.9116.7
240S35.5Very low40.3Very low91 Ų91162 Ų16264%0.63679%0.792SS**  trans-29130.2177.6-171.60000119.1F242S240-F242 VanDerWaalsContact C-N 3.26Å; S240-F242 PolarHBondContact O-N 2.82Å
241S47.9Very low41.2Very low125 Ų125163.5 Ų163.587%0.87478%0.782SS**THydrogen-bonded Turntrans-77.636.4-178.4-43.50000115.9
242F37.1Very low42.8Very low186 Ų186158.2 Ų158.282%0.81676%0.758SS**THydrogen-bonded Turntrans-126.79.9-169.1-97.6-78.7000116.7S240S240-F242 VanDerWaalsContact C-N 3.26Å; S240-F242 PolarHBondContact O-N 2.82Å
243S41.9Very low45.1Very low86 Ų86157.3 Ų157.360%0.60174%0.742SS**  trans-87-17.1-175.656.10000116.4F245 K246S243-F245 PolarHBondContact O-N 3.41Å; S243-K246 PolarHBondContact O-N 2.81Å
244W43.2Very low47.2Very low253 Ų253153.9 Ų153.996%0.95874%0.736SS**THydrogen-bonded Turntrans-69.210.6-162.6-94.264.4000118
245F36Very low49.7Very low175 Ų175146.9 Ų146.977%0.76872%0.72SS**THydrogen-bonded Turntrans-117.4-7.9177.3-154.8-98.9000114.8S243S243-F245 PolarHBondContact O-N 3.41Å
246K46.4Very low52.1Low205 Ų205147.5 Ų147.589%0.89170%0.704SS**SBendtrans-87.4-17.3-173.2-140.6175.8-175.3-177.70114.3S243S243-K246 PolarHBondContact O-N 2.81Å
247E39.4Very low54.7Low187 Ų187139.2 Ų139.287%0.87468%0.677SS**  trans-106.260-173.2-162170.8-173.100113.1R249E247-R249 PolarHBondContact O-N 3.04Å
248R52.3Low57Low175 Ų175134.4 Ų134.466%0.6666%0.66SS**SBendtrans-89103.4163.6-164.8179.3-56.8-1482.4107.8
249R45.3Very low59.3Low184 Ų184131.7 Ų131.769%0.69465%0.646SS**  trans-5121.7179.4-73.6-78.4175.2137-5.4114.8E247 D251 S252 R253E247-R249 PolarHBondContact O-N 3.04Å; R249-D251 PolarHBondContact O-N 3.21Å; R249-D251 VanDerWaalsContact O-N 3.08Å; R249-S252 WeakPolarHBondContact O-CB 3.41Å; R249-S252 PolarHBondContact O-N 3.05Å; R249-R253 PolarHBondContact O-N 3.39Å
250P55.4Low61.8Low96 Ų96124.8 Ų124.862%0.62362%0.623SS**Hα-helixtrans-54.8-35.9-175.623.3-33.6000112.3S252 R253 A254P250-S252 VanDerWaalsContact C-N 3.29Å; P250-S252 PolarHBondContact O-N 3.23Å; P250-R253 CarbonylContact O-C 3.5Å; P250-R253 WeakPolarHBondContact O-CA 3.49Å; P250-R253 WeakPolarHBondContact O-CB 3.34Å; P250-R253 PolarHBondContact O-N 2.93Å; P250-A254 WeakPolarHBondContact O-CB 3.39Å; P250-A254 PolarHBondContact O-N 3.39Å
251D51.3Low64.4Low106 Ų106122.5 Ų122.557%0.56761%0.609SS**Hα-helixtrans-57.5-38.4176.1-31.3-61.8000112.5R249 R253 A255R249-D251 PolarHBondContact O-N 3.21Å; R249-D251 VanDerWaalsContact O-N 3.08Å; D251-R253 VanDerWaalsContact C-N 3.32Å; D251-R253 PolarHBondContact O-N 2.83Å; D251-A255 WeakPolarHBondContact O-CB 3.32Å; D251-A255 PolarHBondContact O-N 2.74Å
252S70.4Confident66.2Low53 Ų53122 Ų12237%0.37159%0.593SS.*Hα-helixtrans-69.6-31.1176.2179.90000111.9R249 P250 I256R249-S252 WeakPolarHBondContact O-CB 3.41Å; R249-S252 PolarHBondContact O-N 3.05Å; P250-S252 VanDerWaalsContact C-N 3.29Å; P250-S252 PolarHBondContact O-N 3.23Å; S252-I256 WeakPolarHBondContact O-CD1 3.37Å; S252-I256 VanDerWaalsContact O-CG1 3.28Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 2.88Å
253R83.7Confident68.4Low155 Ų155121.8 Ų121.859%0.58559%0.587SS**Hα-helixtrans-77.6-44.7175.4-177.462.5-168.2-102.2-10.6110.9R249 P250 D251 A255 I256 D257R249-R253 PolarHBondContact O-N 3.39Å; P250-R253 CarbonylContact O-C 3.5Å; P250-R253 WeakPolarHBondContact O-CA 3.49Å; P250-R253 WeakPolarHBondContact O-CB 3.34Å; P250-R253 PolarHBondContact O-N 2.93Å; D251-R253 VanDerWaalsContact C-N 3.32Å; D251-R253 PolarHBondContact O-N 2.83Å; R253-A255 VanDerWaalsContact C-N 3.34Å; R253-A255 PolarHBondContact O-N 3.02Å; R253-I256 PolarHBondContact O-N 3.2Å; R253-D257 IonicContact CZ-OD2 3.85Å; R253-D257 IonicContact NE-OD1 3.83Å; R253-D257 IonicContact NE-OD2 3.24Å; R253-D257 PolarHBondContact NE-OD2 2.99Å; R253-D257 IonicContact NH2-OD2 2.91Å; R253-D257 PolarHBondContact NH2-OD2 3.21Å; R253-D257 VanDerWaalsContact NH2-OD2 3.12Å; R253-D257 PolarHBondContact O-N 3.32Å
254A82.4Confident70.8Confident61 Ų61124 Ų12450%0.50459%0.586SS.*Hα-helixtrans-58.5-42.9173.900000111.6P250 I256 D257 A258P250-A254 WeakPolarHBondContact O-CB 3.39Å; P250-A254 PolarHBondContact O-N 3.39Å; A254-I256 VanDerWaalsContact C-N 3.35Å; A254-I256 PolarHBondContact O-N 2.97Å; A254-D257 PolarHBondContact O-N 3.44Å; A254-A258 WeakPolarHBondContact O-CB 3.26Å; A254-A258 PolarHBondContact O-N 3.42Å
255A86.4Confident73.2Confident53 Ų53120.7 Ų120.744%0.43857%0.573SS.*Hα-helixtrans-65.5-33.617600000113.4D251 R253 K259D251-A255 WeakPolarHBondContact O-CB 3.32Å; D251-A255 PolarHBondContact O-N 2.74Å; R253-A255 VanDerWaalsContact C-N 3.34Å; R253-A255 PolarHBondContact O-N 3.02Å; A255-K259 WeakPolarHBondContact O-CG 3.28Å; A255-K259 PolarHBondContact O-N 2.94Å
256I84.2Confident75.8Confident87 Ų87116.8 Ų116.845%0.44656%0.558SS.*Hα-helixtrans-70.7-46.5173.6-72.4167.5000110.5S252 R253 A254 K259 K260S252-I256 WeakPolarHBondContact O-CD1 3.37Å; S252-I256 VanDerWaalsContact O-CG1 3.28Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 2.88Å; R253-I256 PolarHBondContact O-N 3.2Å; A254-I256 VanDerWaalsContact C-N 3.35Å; A254-I256 PolarHBondContact O-N 2.97Å; I256-K259 PolarHBondContact O-N 2.86Å; I256-K260 WeakPolarHBondContact O-CG 3.02Å; I256-K260 PolarHBondContact O-N 3.45Å
257D87.1Confident77.8Confident53 Ų53112.4 Ų112.428%0.28354%0.543SS..Hα-helixtrans-75.6-27-176.4-68-15.3000111.9R253 A254 K260 A261R253-D257 IonicContact CZ-OD2 3.85Å; R253-D257 IonicContact NE-OD1 3.83Å; R253-D257 IonicContact NE-OD2 3.24Å; R253-D257 PolarHBondContact NE-OD2 2.99Å; R253-D257 IonicContact NH2-OD2 2.91Å; R253-D257 PolarHBondContact NH2-OD2 3.21Å; R253-D257 VanDerWaalsContact NH2-OD2 3.12Å; R253-D257 PolarHBondContact O-N 3.32Å; A254-D257 PolarHBondContact O-N 3.44Å; D257-K260 WeakPolarHBondContact O-CB 3.44Å; D257-K260 PolarHBondContact O-N 3.35Å; D257-K260 WeakPolarHBondContact OD1-CD 3.37Å; D257-K260 WeakPolarHBondContact OD1-CE 3.34Å; D257-K260 IonicContact OD1-NZ 3.29Å; D257-K260 PolarHBondContact OD1-NZ 3.22Å; D257-A261 WeakPolarHBondContact O-CB 3.32Å; D257-A261 PolarHBondContact O-N 2.86Å
258A90.4Very high80.3Confident59 Ų59107.3 Ų107.349%0.48852%0.522SS..Hα-helixtrans-66.3-40.4166.200000112.1A254 K260 A261 Q262A254-A258 WeakPolarHBondContact O-CB 3.26Å; A254-A258 PolarHBondContact O-N 3.42Å; A258-K260 VanDerWaalsContact C-N 3.35Å; A258-A261 PolarHBondContact O-N 3.41Å; A258-Q262 WeakPolarHBondContact O-CB 3.49Å; A258-Q262 PolarHBondContact O-N 3.45Å
259K90.8Very high82.3Confident125 Ų125104.4 Ų104.454%0.54352%0.516SS..Hα-helixtrans-66.5-34.6172.3-77.9-178.2177.5-174.40112.5A255 I256 Q262 W263A255-K259 WeakPolarHBondContact O-CG 3.28Å; A255-K259 PolarHBondContact O-N 2.94Å; I256-K259 PolarHBondContact O-N 2.86Å; K259-Q262 PolarHBondContact O-N 2.8Å; K259-W263 PolarHBondContact O-N 2.83Å
260K90.8Very high84.4Confident106 Ų106101 Ų10146%0.46151%0.508SS..Hα-helixtrans-64.8-42168.8-66.9173.5-168.3161.70111.8I256 D257 A258 Q262 W263 K264I256-K260 WeakPolarHBondContact O-CG 3.02Å; I256-K260 PolarHBondContact O-N 3.45Å; D257-K260 WeakPolarHBondContact O-CB 3.44Å; D257-K260 PolarHBondContact O-N 3.35Å; D257-K260 WeakPolarHBondContact OD1-CD 3.37Å; D257-K260 WeakPolarHBondContact OD1-CE 3.34Å; D257-K260 IonicContact OD1-NZ 3.29Å; D257-K260 PolarHBondContact OD1-NZ 3.22Å; A258-K260 VanDerWaalsContact C-N 3.35Å; K260-Q262 VanDerWaalsContact C-N 3.34Å; K260-W263 PolarHBondContact O-N 2.75Å; K260-K264 WeakPolarHBondContact O-CB 3.36Å; K260-K264 PolarHBondContact O-N 3.43Å
261A89.7Confident86Confident42 Ų4299.7 Ų99.735%0.34750%0.498SS..Hα-helixtrans-64.7-38.2176.200000111.8D257 A258 K264 R265D257-A261 WeakPolarHBondContact O-CB 3.32Å; D257-A261 PolarHBondContact O-N 2.86Å; A258-A261 PolarHBondContact O-N 3.41Å; A261-K264 PolarHBondContact O-N 2.88Å; A261-R265 WeakPolarHBondContact O-CG 3.37Å; A261-R265 PolarHBondContact O-N 3.49Å
262Q86.4Confident87.9Confident116 Ų11697.2 Ų97.254%0.54249%0.492SS..Hα-helixtrans-62.1-51.8171.7-174.6-177.75.500111.2A258 K259 K260 K264 R265 E266A258-Q262 WeakPolarHBondContact O-CB 3.49Å; A258-Q262 PolarHBondContact O-N 3.45Å; K259-Q262 PolarHBondContact O-N 2.8Å; K260-Q262 VanDerWaalsContact C-N 3.34Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.45Å; Q262-R265 PolarHBondContact O-N 3.34Å; Q262-E266 WeakPolarHBondContact O-CB 3.21Å; Q262-E266 PolarHBondContact O-N 3.42Å
263W82.2Confident88.7Confident180 Ų18099.1 Ų99.168%0.68250%0.497SS*.Hα-helixtrans-63.9-30.4176.7-68.8-23.5000113.4K259 K260 L267K259-W263 PolarHBondContact O-N 2.83Å; K260-W263 PolarHBondContact O-N 2.75Å; W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 PolarHBondContact O-N 3.39Å
264K93.6Very high89Confident134 Ų13498 Ų9858%0.58350%0.497SS*.Hα-helixtrans-67.2-49.3172.2-164.2-161.9172.1-166.10110.4K260 A261 Q262 E266 L267 D268K260-K264 WeakPolarHBondContact O-CB 3.36Å; K260-K264 PolarHBondContact O-N 3.43Å; A261-K264 PolarHBondContact O-N 2.88Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.45Å; K264-E266 PolarHBondContact O-N 3.48Å; K264-L267 PolarHBondContact O-N 3.05Å; K264-L267 VanDerWaalsContact O-N 3.16Å; K264-D268 VanDerWaalsContact CE-OD2 3.23Å; K264-D268 WeakPolarHBondContact CE-OD2 3.37Å; K264-D268 IonicContact NZ-OD2 2.73Å; K264-D268 WeakPolarHBondContact O-CB 3.33Å; K264-D268 PolarHBondContact O-N 2.75Å
265R92.1Very high89.1Confident183 Ų183100.2 Ų100.269%0.69150%0.497SS*.Hα-helixtrans-57.9-46.3175.8-72.4174.7-171.31712.3111.9A261 Q262 L267 D268 E269A261-R265 WeakPolarHBondContact O-CG 3.37Å; A261-R265 PolarHBondContact O-N 3.49Å; Q262-R265 PolarHBondContact O-N 3.34Å; R265-L267 VanDerWaalsContact C-N 3.33Å; R265-L267 PolarHBondContact O-N 3.38Å; R265-D268 PolarHBondContact O-N 2.76Å; R265-E269 WeakPolarHBondContact O-CB 3.46Å; R265-E269 PolarHBondContact O-N 3.14Å
266E92.4Very high88.9Confident93 Ų93103.8 Ų103.844%0.43550%0.504SS..Hα-helixtrans-56.6-43.9174.4176.577-135.200111.9Q262 K264 E269 Q270Q262-E266 WeakPolarHBondContact O-CB 3.21Å; Q262-E266 PolarHBondContact O-N 3.42Å; K264-E266 PolarHBondContact O-N 3.48Å; E266-E269 PolarHBondContact O-N 3.17Å; E266-Q270 WeakPolarHBondContact O-CB 3.23Å; E266-Q270 WeakPolarHBondContact O-CG 3.48Å; E266-Q270 PolarHBondContact O-N 2.89Å; E266-Q270 PolarHBondContact OE1-NE2 3.43Å
267L87.1Confident88.7Confident113 Ų113105.5 Ų105.559%0.59251%0.514SS*.Hα-helixtrans-71-43178.8-160.379.8000112W263 K264 R265 E269 Q270 V271W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 PolarHBondContact O-N 3.39Å; K264-L267 PolarHBondContact O-N 3.05Å; K264-L267 VanDerWaalsContact O-N 3.16Å; R265-L267 VanDerWaalsContact C-N 3.33Å; R265-L267 PolarHBondContact O-N 3.38Å; L267-E269 VanDerWaalsContact C-N 3.28Å; L267-E269 PolarHBondContact O-N 2.79Å; L267-Q270 PolarHBondContact O-N 3.38Å; L267-V271 WeakPolarHBondContact O-CB 3.11Å; L267-V271 VanDerWaalsContact O-CG2 3.29Å; L267-V271 WeakPolarHBondContact O-CG2 3.36Å; L267-V271 PolarHBondContact O-N 2.79Å
268D92.3Very high88.1Confident79 Ų79108.6 Ų108.642%0.42253%0.527SS..Hα-helixtrans-63.5-35.7175.7-67.1-19.5000110.3K264 R265 V271 A272K264-D268 VanDerWaalsContact CE-OD2 3.23Å; K264-D268 WeakPolarHBondContact CE-OD2 3.37Å; K264-D268 IonicContact NZ-OD2 2.73Å; K264-D268 WeakPolarHBondContact O-CB 3.33Å; K264-D268 PolarHBondContact O-N 2.75Å; R265-D268 PolarHBondContact O-N 2.76Å; D268-V271 PolarHBondContact O-N 2.98Å; D268-A272 VanDerWaalsContact O-CB 3.31Å; D268-A272 WeakPolarHBondContact O-CB 3.26Å; D268-A272 PolarHBondContact O-N 3.22Å
269E93.2Very high87.2Confident115 Ų115111.3 Ų111.354%0.53753%0.532SS..Hα-helixtrans-72.6-43.6175.7-177.6169.8-177.600111.9R265 E266 L267 V271 A272 L273R265-E269 WeakPolarHBondContact O-CB 3.46Å; R265-E269 PolarHBondContact O-N 3.14Å; E266-E269 PolarHBondContact O-N 3.17Å; L267-E269 VanDerWaalsContact C-N 3.28Å; L267-E269 PolarHBondContact O-N 2.79Å; E269-V271 VanDerWaalsContact C-N 3.26Å; E269-V271 PolarHBondContact O-N 3.18Å; E269-A272 CarbonylContact O-C 3.55Å; E269-A272 PolarHBondContact O-N 2.94Å; E269-A272 VanDerWaalsContact O-N 3.14Å; E269-L273 HydrophobicContact CG-CD1 4.17Å; E269-L273 HydrophobicContact CG-CG 4.45Å; E269-L273 WeakPolarHBondContact O-CB 3.3Å; E269-L273 VanDerWaalsContact O-CG 3.32Å; E269-L273 WeakPolarHBondContact O-CG 3.49Å; E269-L273 PolarHBondContact O-N 3.48Å
270Q89.6Confident86.2Confident111 Ų111107.9 Ų107.952%0.51952%0.524SS..Hα-helixtrans-64.2-32.3171.7-72.4-174.326.500112.1E266 L267 K274E266-Q270 WeakPolarHBondContact O-CB 3.23Å; E266-Q270 WeakPolarHBondContact O-CG 3.48Å; E266-Q270 PolarHBondContact O-N 2.89Å; E266-Q270 PolarHBondContact OE1-NE2 3.43Å; L267-Q270 PolarHBondContact O-N 3.38Å; Q270-K274 VanDerWaalsContact O-CB 3.26Å; Q270-K274 WeakPolarHBondContact O-CB 3.38Å; Q270-K274 PolarHBondContact O-N 2.87Å
271V90.1Very high84.8Confident70 Ų70105.4 Ų105.442%0.42452%0.523SS..Hα-helixtrans-69.3-41.2170.4165.30000111.3L267 D268 E269 K274 Q275L267-V271 WeakPolarHBondContact O-CB 3.11Å; L267-V271 VanDerWaalsContact O-CG2 3.29Å; L267-V271 WeakPolarHBondContact O-CG2 3.36Å; L267-V271 PolarHBondContact O-N 2.79Å; D268-V271 PolarHBondContact O-N 2.98Å; E269-V271 VanDerWaalsContact C-N 3.26Å; E269-V271 PolarHBondContact O-N 3.18Å; V271-K274 PolarHBondContact O-N 3.16Å; V271-Q275 VanDerWaalsContact CG1-NE2 3.3Å; V271-Q275 WeakPolarHBondContact O-CG 3.31Å; V271-Q275 PolarHBondContact O-N 3.49Å
272A90.4Very high83.2Confident53 Ų53108.4 Ų108.444%0.43853%0.533SS..Hα-helixtrans-66.7-45176.900000112.1D268 E269 K274 Q275 Q276D268-A272 VanDerWaalsContact O-CB 3.31Å; D268-A272 WeakPolarHBondContact O-CB 3.26Å; D268-A272 PolarHBondContact O-N 3.22Å; E269-A272 CarbonylContact O-C 3.55Å; E269-A272 PolarHBondContact O-N 2.94Å; E269-A272 VanDerWaalsContact O-N 3.14Å; A272-K274 VanDerWaalsContact C-N 3.31Å; A272-K274 PolarHBondContact O-N 3.22Å; A272-Q275 CarbonylContact O-C 3.59Å; A272-Q275 PolarHBondContact O-N 3.31Å; A272-Q276 WeakPolarHBondContact O-CB 3.45Å; A272-Q276 PolarHBondContact O-N 2.82Å
273L88.4Confident81.6Confident93 Ų93106.3 Ų106.349%0.48753%0.531SS..Hα-helixtrans-61-38.8173.5-72.6169.9000111.4E269 Q276 L277E269-L273 HydrophobicContact CG-CD1 4.17Å; E269-L273 HydrophobicContact CG-CG 4.45Å; E269-L273 WeakPolarHBondContact O-CB 3.3Å; E269-L273 VanDerWaalsContact O-CG 3.32Å; E269-L273 WeakPolarHBondContact O-CG 3.49Å; E269-L273 PolarHBondContact O-N 3.48Å; L273-Q276 PolarHBondContact O-N 3.42Å; L273-L277 WeakPolarHBondContact O-CB 3.35Å; L273-L277 PolarHBondContact O-N 2.93Å
274K88.6Confident80.2Confident133 Ų133106.5 Ų106.558%0.57853%0.532SS*.Hα-helixtrans-66.5-41.6173.3-176.5-179.5175.7-174.70112.1Q270 V271 A272 L277 Q278Q270-K274 VanDerWaalsContact O-CB 3.26Å; Q270-K274 WeakPolarHBondContact O-CB 3.38Å; Q270-K274 PolarHBondContact O-N 2.87Å; V271-K274 PolarHBondContact O-N 3.16Å; A272-K274 VanDerWaalsContact C-N 3.31Å; A272-K274 PolarHBondContact O-N 3.22Å; K274-L277 PolarHBondContact O-N 3.37Å; K274-Q278 WeakPolarHBondContact O-CG 3.11Å; K274-Q278 PolarHBondContact O-N 2.96Å
275Q84.8Confident78.1Confident107 Ų107106.5 Ų106.550%0.554%0.538SS..Hα-helixtrans-65.4-41.2174.3-74.8-179.454.300111.4V271 A272 L277 Q278 L279V271-Q275 VanDerWaalsContact CG1-NE2 3.3Å; V271-Q275 WeakPolarHBondContact O-CG 3.31Å; V271-Q275 PolarHBondContact O-N 3.49Å; A272-Q275 CarbonylContact O-C 3.59Å; A272-Q275 PolarHBondContact O-N 3.31Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; Q275-L277 PolarHBondContact O-N 2.92Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q275-L279 WeakPolarHBondContact O-CB 3.34Å; Q275-L279 VanDerWaalsContact O-CG 3.3Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 2.92Å
276Q82.5Confident75.8Confident127 Ų127105.2 Ų105.259%0.59354%0.539SS*.Hα-helixtrans-63.8-38.2174.6-169.7-178.717.100111.5A272 L273 S280A272-Q276 WeakPolarHBondContact O-CB 3.45Å; A272-Q276 PolarHBondContact O-N 2.82Å; L273-Q276 PolarHBondContact O-N 3.42Å; Q276-S280 VanDerWaalsContact O-CB 3.24Å; Q276-S280 WeakPolarHBondContact O-CB 3.43Å; Q276-S280 PolarHBondContact O-N 3.39Å; Q276-S280 PolarHBondContact O-OG 3.43Å
277L79.1Confident73.4Confident124 Ų124103.6 Ų103.665%0.64955%0.548SS*.Hα-helixtrans-66.2-38.5172.7-16969.7000111.7L273 K274 Q275 S280 A281L273-L277 WeakPolarHBondContact O-CB 3.35Å; L273-L277 PolarHBondContact O-N 2.93Å; K274-L277 PolarHBondContact O-N 3.37Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; Q275-L277 PolarHBondContact O-N 2.92Å; L277-S280 WeakPolarHBondContact CA-OG 3.4Å; L277-S280 PolarHBondContact O-OG 3.34Å; L277-A281 VanDerWaalsContact O-CB 3.23Å; L277-A281 WeakPolarHBondContact O-CB 3.23Å; L277-A281 PolarHBondContact O-N 2.97Å
278Q76.1Confident71.2Confident118 Ų118105.7 Ų105.755%0.55155%0.554SS**Hα-helixtrans-68.5-43.1174.9-73.4-179.1-55.200112.2K274 Q275 A281 L282K274-Q278 WeakPolarHBondContact O-CG 3.11Å; K274-Q278 PolarHBondContact O-N 2.96Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q278-A281 PolarHBondContact O-N 3.01Å; Q278-L282 WeakPolarHBondContact O-CB 3.23Å; Q278-L282 PolarHBondContact O-N 3.26Å
279L71.7Confident68.8Low115 Ų115110.3 Ų110.360%0.60257%0.573SS**Hα-helixtrans-70.9-35.5178.2-70.1171.6000112.3Q275 L282 S283Q275-L279 WeakPolarHBondContact O-CB 3.34Å; Q275-L279 VanDerWaalsContact O-CG 3.3Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 2.92Å; L279-L282 PolarHBondContact O-N 2.94Å; L279-S283 VanDerWaalsContact O-CB 3.28Å; L279-S283 WeakPolarHBondContact O-CB 3.48Å; L279-S283 PolarHBondContact O-N 2.85Å
280S68.7Low66.3Low54 Ų54115.4 Ų115.438%0.37859%0.589SS.*Hα-helixtrans-74.2-32.3173.456.40000112.7Q276 L277 S283 R284Q276-S280 VanDerWaalsContact O-CB 3.24Å; Q276-S280 WeakPolarHBondContact O-CB 3.43Å; Q276-S280 PolarHBondContact O-N 3.39Å; Q276-S280 PolarHBondContact O-OG 3.43Å; L277-S280 WeakPolarHBondContact CA-OG 3.4Å; L277-S280 PolarHBondContact O-OG 3.34Å; S280-S283 PolarHBondContact O-N 2.87Å; S280-R284 WeakPolarHBondContact O-CB 3.49Å; S280-R284 WeakPolarHBondContact O-CG 3.34Å; S280-R284 PolarHBondContact O-N 3.13Å
281A61.6Low64.2Low53 Ų53114.5 Ų114.544%0.43860%0.601SS.*Hα-helixtrans-63.5-41.5167.900000111.6L277 Q278 L285L277-A281 VanDerWaalsContact O-CB 3.23Å; L277-A281 WeakPolarHBondContact O-CB 3.23Å; L277-A281 PolarHBondContact O-N 2.97Å; Q278-A281 PolarHBondContact O-N 3.01Å; A281-L285 PolarHBondContact O-N 3.21Å
282L55.5Low61.4Low105 Ų105119.9 Ų119.955%0.5562%0.621SS.*Hα-helixtrans-64.7-41.5173.2-120.1164.9000112.2Q278 L279 L285 Q286Q278-L282 WeakPolarHBondContact O-CB 3.23Å; Q278-L282 PolarHBondContact O-N 3.26Å; L279-L282 PolarHBondContact O-N 2.94Å; L282-L285 PolarHBondContact O-N 3.38Å; L282-Q286 PolarHBondContact O-N 3.15Å
283S53.2Low59.2Low73 Ų73123 Ų12351%0.5164%0.64SS.*Hα-helixtrans-68.8-36.7178.5177.10000112.6L279 S280 L285 Q286 G287L279-S283 VanDerWaalsContact O-CB 3.28Å; L279-S283 WeakPolarHBondContact O-CB 3.48Å; L279-S283 PolarHBondContact O-N 2.85Å; S280-S283 PolarHBondContact O-N 2.87Å; S283-L285 VanDerWaalsContact C-N 3.28Å; S283-L285 PolarHBondContact O-N 3.1Å; S283-Q286 CarbonylContact O-C 3.58Å; S283-Q286 PolarHBondContact O-N 3.3Å; S283-G287 PolarHBondContact O-N 3.38Å
284R52.6Low56.6Low183 Ų183125 Ų12569%0.69166%0.656SS**Hα-helixtrans-63.2-35.6171.8-74.9-17270.11672.8112S280 Q286 G287S280-R284 WeakPolarHBondContact O-CB 3.49Å; S280-R284 WeakPolarHBondContact O-CG 3.34Å; S280-R284 PolarHBondContact O-N 3.13Å; R284-Q286 PolarHBondContact O-N 3.2Å; R284-G287 PolarHBondContact O-N 2.87Å
285L50.7Low53.8Low135 Ų135124.2 Ų124.271%0.70767%0.667SS**Hα-helixtrans-72.4-10.1172.5-72167.2000114.3A281 L282 S283A281-L285 PolarHBondContact O-N 3.21Å; L282-L285 PolarHBondContact O-N 3.38Å; S283-L285 VanDerWaalsContact C-N 3.28Å; S283-L285 PolarHBondContact O-N 3.1Å
286Q43.6Very low51.4Low155 Ų155123.7 Ų123.772%0.72468%0.675SS**Hα-helixtrans-101.4-12168.2-73.9-171.6-41.800113.3L282 S283 R284L282-Q286 PolarHBondContact O-N 3.15Å; S283-Q286 CarbonylContact O-C 3.58Å; S283-Q286 PolarHBondContact O-N 3.3Å; R284-Q286 PolarHBondContact O-N 3.2Å
287G41Very low49Very low59 Ų59124.1 Ų124.161%0.60869%0.686SS**Hα-helixtrans-80.1-18.4176.800000114.1S283 R284S283-G287 PolarHBondContact O-N 3.38Å; R284-G287 PolarHBondContact O-N 2.87Å
288E40.5Very low46.7Very low157 Ų157121.8 Ų121.873%0.73469%0.693SS**THydrogen-bonded Turntrans-97.627-173.4-67.8178.3172.400113.4
289E43.3Very low44.6Very low176 Ų176124.6 Ų124.682%0.82271%0.705SS**THydrogen-bonded Turntrans-123.723174.9-149.6-179.1-169.700114.1
290Y39.7Very low42.8Very low223 Ų223130.9 Ų130.988%0.87572%0.721SS**SBendtrans-148.231.3174.4-137.3-92.1000118.3
291A47Very low41.4Very low92 Ų92135 Ų13576%0.7673%0.734SS**  trans-172.895.3155.600000113.2
292E30.7Very low40.6Very low182 Ų182139.2 Ų139.285%0.8575%0.745SS**  trans-163.4101.9143.4-151.570.8-90.200110
293S44Very low40Very low120 Ų120139.8 Ų139.884%0.83976%0.755SS**  trans-13668.6177.3-76.80000112.6
294V33.4Very low39.7Very low133 Ų133139.8 Ų139.881%0.80676%0.759SS**  trans-158.2141.9147.2-139.20000112
295S30.1Very low39.4Very low117 Ų117135.4 Ų135.482%0.81876%0.762SS**  trans65.6144.7146.6176.30000120.1
296S34Very low39.4Very low97 Ų97136.6 Ų136.668%0.67877%0.767SS**  cis-170144.5-23-172.20000110.4
297V32.8Very low39.6Very low135 Ų135138.7 Ų138.782%0.81877%0.769SS**  trans49123.2156.1173.20000120.5
298G30.1Very low39.8Very low76 Ų76141 Ų14178%0.78478%0.775SS**  trans-172.464.9167.400000112.9
299H31.2Very low40.4Very low177 Ų177138.9 Ų138.982%0.81978%0.778SS**  trans-68.8137-171.3-83.2-23.9000115.2
300R34.8Very low40.6Very low246 Ų246137.8 Ų137.893%0.92878%0.777SS**  trans-148106139.3-153.8172.5-169.71764.1112.4
301E39Very low41.2Very low141 Ų141139.2 Ų139.266%0.65978%0.781SS**  trans-64.4161.4166.2-64.1172.9118.900111.1
302H44.8Very low41.2Very low142 Ų142142.2 Ų142.266%0.65778%0.783SS**  cis-160168.2-12.9-104.4-28.1000106.5
303P43.1Very low41.6Very low117 Ų117136.4 Ų136.476%0.7677%0.772SS**  -133.5143.595.410.311.6000113.4A305P303-A305 PolarHBondContact O-N 3.29Å
304A46.5Very low41.7Very low73 Ų73140.2 Ų140.260%0.60378%0.777SS**G310 helixtrans-79.821.1-169.400000116.2I306A304-I306 PolarHBondContact O-N 3.2Å
305A47.1Very low41.8Very low91 Ų91139.9 Ų139.975%0.75277%0.774SS**G310 helixtrans-76-17.8-171.100000115.2P303P303-A305 PolarHBondContact O-N 3.29Å
306I50Low42.3Very low159 Ų159139 Ų13982%0.81577%0.765SS**G310 helixtrans-120.753.7-178.4-41.2-178.8000110.2A304A304-I306 PolarHBondContact O-N 3.2Å
307R49.1Very low43.3Very low200 Ų200138.9 Ų138.976%0.75576%0.761SS**  trans-124.635.6170.1-62.3-168.477.3-155.83.6112.4S309R307-S309 PolarHBondContact O-N 3.46Å
308S43.5Very low43.6Very low107 Ų107138.9 Ų138.975%0.74875%0.754SS**  trans-78.593.2170.556.40000110.6L310S308-L310 PolarHBondContact O-N 3.17Å
309S54.2Low44.6Very low113 Ų113142.3 Ų142.379%0.7975%0.75SS**  trans-75107174.353.60000111.4R307R307-S309 PolarHBondContact O-N 3.46Å
310L47Very low45.6Very low152 Ų152140.6 Ų140.680%0.79674%0.742SS**  trans-119.8101.3161.9-77.9176.5000110S308 L312S308-L310 PolarHBondContact O-N 3.17Å; L310-L312 PolarHBondContact O-N 2.92Å
311R52.3Low46.4Very low253 Ų253134.8 Ų134.896%0.95573%0.727SS**  trans-86.981.2155.4-85.5-169.6163.9-159.1-5.2108.7
312L46.9Very low47Very low156 Ų156132.9 Ų132.982%0.81772%0.721SS**  trans-97.9131.1137.4-8762.5000103.6L310L310-L312 PolarHBondContact O-N 2.92Å
313G39.7Very low47.6Very low60 Ų60127.8 Ų127.862%0.61970%0.701SS**  cis126.1139.233.500000104.9V315G313-V315 PolarHBondContact O-N 3.38Å
314E45.2Very low48.9Very low200 Ų200125.3 Ų125.394%0.93568%0.684SS**  trans-63112.4-170-69.3162.1109.400111.4
315V35.8Very low50.3Low125 Ų125127.5 Ų127.576%0.75868%0.682SS**  trans-90.1109.6170179.30000107.6G313G313-V315 PolarHBondContact O-N 3.38Å
316T41.3Very low51.7Low100 Ų100130.7 Ų130.761%0.61367%0.674SS**  trans-56.5130.7-177.4-43.20000111.3M318T316-M318 HydrophobicContact CG2-CB 4.01Å; T316-M318 PolarHBondContact O-N 2.8Å
317P54Low53.1Low93 Ų93128.4 Ų128.460%0.60466%0.658SS**THydrogen-bonded Turntrans-59.5-5178.9-27.235.7000116.2M321P317-M321 PolarHBondContact O-N 3.47Å
318M41.1Very low54.8Low136 Ų136124.4 Ų124.467%0.6765%0.648SS**Hα-helixtrans-63-39.3-178.7-151.377177.100113T316 L322T316-M318 HydrophobicContact CG2-CB 4.01Å; T316-M318 PolarHBondContact O-N 2.8Å; M318-L322 WeakPolarHBondContact O-CG 3.37Å; M318-L322 PolarHBondContact O-N 3Å
319E49.1Very low56.9Low148 Ų148123.7 Ų123.769%0.69263%0.633SS**Hα-helixtrans-82.1-33-174.9-169167.6-149.500112.4L322 S323E319-L322 PolarHBondContact O-N 3.16Å; E319-S323 PolarHBondContact O-N 3.4Å
320E53.9Low58.3Low141 Ų141124.5 Ų124.566%0.65962%0.624SS**Hα-helixtrans-66.9-40.4176.6-172.7162.2-143.800111.5L322 S323 V324E320-L322 PolarHBondContact O-N 2.92Å; E320-S323 CarbonylContact O-C 3.5Å; E320-S323 WeakPolarHBondContact O-CA 3.42Å; E320-S323 WeakPolarHBondContact O-CB 3.37Å; E320-S323 PolarHBondContact O-N 3.49Å; E320-S323 PolarHBondContact O-OG 2.98Å; E320-V324 HydrophobicContact CG-CG2 4.44Å; E320-V324 WeakPolarHBondContact O-CG2 3.31Å; E320-V324 PolarHBondContact O-N 3.36Å
321M50.8Low60.3Low124 Ų124125 Ų12561%0.61162%0.615SS**Hα-helixtrans-57.8-47.3173.1-77-163.1-101.100112P317 S323 V324 E325P317-M321 PolarHBondContact O-N 3.47Å; M321-S323 PolarHBondContact O-N 3.43Å; M321-V324 PolarHBondContact O-N 2.87Å; M321-E325 WeakPolarHBondContact O-CB 3.34Å; M321-E325 PolarHBondContact O-N 2.83Å
322L51.2Low62.2Low100 Ų100120.3 Ų120.352%0.52460%0.598SS.*Hα-helixtrans-62.3-29.2174.9-66.6171.5000112.7M318 E319 E320 R326M318-L322 WeakPolarHBondContact O-CG 3.37Å; M318-L322 PolarHBondContact O-N 3Å; E319-L322 PolarHBondContact O-N 3.16Å; E320-L322 PolarHBondContact O-N 2.92Å; L322-R326 VanDerWaalsContact O-CB 3.32Å; L322-R326 WeakPolarHBondContact O-CB 3.41Å; L322-R326 PolarHBondContact O-N 3.08Å
323S57.9Low64.3Low36 Ų36116.8 Ų116.825%0.25258%0.582SS.*Hα-helixtrans-74.8-31.6173.799.20000113.2E319 E320 M321 K327E319-S323 PolarHBondContact O-N 3.4Å; E320-S323 CarbonylContact O-C 3.5Å; E320-S323 WeakPolarHBondContact O-CA 3.42Å; E320-S323 WeakPolarHBondContact O-CB 3.37Å; E320-S323 PolarHBondContact O-N 3.49Å; E320-S323 PolarHBondContact O-OG 2.98Å; M321-S323 PolarHBondContact O-N 3.43Å; S323-K327 WeakPolarHBondContact O-CD 3.38Å; S323-K327 VanDerWaalsContact O-CE 3.25Å; S323-K327 WeakPolarHBondContact O-CE 3.32Å; S323-K327 WeakPolarHBondContact O-CG 3.49Å; S323-K327 PolarHBondContact O-N 3.34Å; S323-K327 PolarHBondContact O-NZ 3.46Å; S323-K327 PolarHBondContact OG-NZ 2.75Å
324V69.6Low66.8Low65 Ų65121.7 Ų121.739%0.39458%0.583SS.*Hα-helixtrans-77.2-48.5177.7169.20000109.5E320 M321 R326 K327 E328E320-V324 HydrophobicContact CG-CG2 4.44Å; E320-V324 WeakPolarHBondContact O-CG2 3.31Å; E320-V324 PolarHBondContact O-N 3.36Å; M321-V324 PolarHBondContact O-N 2.87Å; V324-R326 VanDerWaalsContact C-N 3.32Å; V324-R326 PolarHBondContact O-N 3.31Å; V324-K327 CarbonylContact O-C 3.56Å; V324-K327 WeakPolarHBondContact O-CA 3.42Å; V324-K327 WeakPolarHBondContact O-CB 3.38Å; V324-K327 PolarHBondContact O-N 2.89Å; V324-E328 HydrophobicContact CG1-CG 4.35Å; V324-E328 PolarHBondContact O-N 2.79Å
325E76.6Confident69.2Low119 Ų119116.6 Ų116.656%0.55656%0.561SS**Hα-helixtrans-58.1-44.3177.8-171.2154.9-146.100111M321 K327 E328 E329M321-E325 WeakPolarHBondContact O-CB 3.34Å; M321-E325 PolarHBondContact O-N 2.83Å; E325-K327 VanDerWaalsContact C-N 3.26Å; E325-K327 PolarHBondContact O-N 3.43Å; E325-E328 CarbonylContact O-C 3.54Å; E325-E328 WeakPolarHBondContact O-CA 3.29Å; E325-E328 PolarHBondContact O-N 2.86Å; E325-E329 WeakPolarHBondContact O-CG 3.38Å; E325-E329 PolarHBondContact O-N 2.96Å
326R75.8Confident71.8Confident158 Ų158116.6 Ų116.660%0.59655%0.553SS**Hα-helixtrans-59.3-31.5172.2-169.8-178.9-61.1159.85.5113.8L322 V324 Q330L322-R326 VanDerWaalsContact O-CB 3.32Å; L322-R326 WeakPolarHBondContact O-CB 3.41Å; L322-R326 PolarHBondContact O-N 3.08Å; V324-R326 VanDerWaalsContact C-N 3.32Å; V324-R326 PolarHBondContact O-N 3.31Å; R326-Q330 WeakPolarHBondContact O-CB 3.28Å; R326-Q330 VanDerWaalsContact O-CG 3.25Å; R326-Q330 WeakPolarHBondContact O-CG 3.19Å; R326-Q330 PolarHBondContact O-N 3.24Å; R326-Q330 VanDerWaalsContact O-N 3.15Å
327K79.6Confident74.3Confident110 Ų110114.8 Ų114.848%0.47854%0.538SS..Hα-helixtrans-77.8-31.8174.3-67.8158.4-166.8147.90111.5S323 V324 E325 R331S323-K327 WeakPolarHBondContact O-CD 3.38Å; S323-K327 VanDerWaalsContact O-CE 3.25Å; S323-K327 WeakPolarHBondContact O-CE 3.32Å; S323-K327 WeakPolarHBondContact O-CG 3.49Å; S323-K327 PolarHBondContact O-N 3.34Å; S323-K327 PolarHBondContact O-NZ 3.46Å; S323-K327 PolarHBondContact OG-NZ 2.75Å; V324-K327 CarbonylContact O-C 3.56Å; V324-K327 WeakPolarHBondContact O-CA 3.42Å; V324-K327 WeakPolarHBondContact O-CB 3.38Å; V324-K327 PolarHBondContact O-N 2.89Å; E325-K327 VanDerWaalsContact C-N 3.26Å; E325-K327 PolarHBondContact O-N 3.43Å; K327-R331 VanDerWaalsContact O-CG 3.31Å; K327-R331 WeakPolarHBondContact O-CG 3.46Å; K327-R331 PolarHBondContact O-N 3.18Å
328E86.3Confident76.1Confident117 Ų117112.7 Ų112.755%0.54752%0.521SS..Hα-helixtrans-74.8-37.4174.6-64.7-153.3127.200112.1V324 E325 R331 R332V324-E328 HydrophobicContact CG1-CG 4.35Å; V324-E328 PolarHBondContact O-N 2.79Å; E325-E328 CarbonylContact O-C 3.54Å; E325-E328 WeakPolarHBondContact O-CA 3.29Å; E325-E328 PolarHBondContact O-N 2.86Å; E328-R331 CarbonylContact O-C 3.57Å; E328-R331 WeakPolarHBondContact O-CB 3.5Å; E328-R331 PolarHBondContact O-N 3.12Å; E328-R332 WeakPolarHBondContact O-CB 3.38Å; E328-R332 PolarHBondContact O-N 3.38Å
329E86.3Confident78.4Confident92 Ų92110.1 Ų110.143%0.4351%0.51SS..Hα-helixtrans-58.8-47.4167.2-71.4-172.412700111.3E325 R331 R332 V333E325-E329 WeakPolarHBondContact O-CG 3.38Å; E325-E329 PolarHBondContact O-N 2.96Å; E329-R331 VanDerWaalsContact C-N 3.28Å; E329-R331 PolarHBondContact O-N 2.72Å; E329-R332 PolarHBondContact O-N 3.03Å; E329-R332 VanDerWaalsContact O-N 3.15Å; E329-V333 WeakPolarHBondContact O-CB 3.46Å; E329-V333 WeakPolarHBondContact O-CG2 3.46Å; E329-V333 PolarHBondContact O-N 3.35Å
330Q84.4Confident80.6Confident129 Ų129108.7 Ų108.760%0.60350%0.498SS*.Hα-helixtrans-60.2-37.2174.4-76.9175.16.200112.3R326 W334R326-Q330 WeakPolarHBondContact O-CB 3.28Å; R326-Q330 VanDerWaalsContact O-CG 3.25Å; R326-Q330 WeakPolarHBondContact O-CG 3.19Å; R326-Q330 PolarHBondContact O-N 3.24Å; R326-Q330 VanDerWaalsContact O-N 3.15Å; Q330-W334 WeakPolarHBondContact O-CB 3.36Å; Q330-W334 PolarHBondContact O-N 2.79Å
331R88.1Confident82.1Confident162 Ų162106.4 Ų106.461%0.61149%0.487SS*.Hα-helixtrans-68.3-40.8172.7-76.3171.2170.8-163.3-1.5112.4K327 E328 E329 W334 L335K327-R331 VanDerWaalsContact O-CG 3.31Å; K327-R331 WeakPolarHBondContact O-CG 3.46Å; K327-R331 PolarHBondContact O-N 3.18Å; E328-R331 CarbonylContact O-C 3.57Å; E328-R331 WeakPolarHBondContact O-CB 3.5Å; E328-R331 PolarHBondContact O-N 3.12Å; E329-R331 VanDerWaalsContact C-N 3.28Å; E329-R331 PolarHBondContact O-N 2.72Å; R331-W334 PolarHBondContact O-N 3.04Å; R331-L335 WeakPolarHBondContact O-CB 3.46Å; R331-L335 VanDerWaalsContact O-CG 3.29Å; R331-L335 WeakPolarHBondContact O-CG 3.47Å; R331-L335 PolarHBondContact O-N 3.37Å
332R92.4Very high84.1Confident155 Ų155107 Ų10759%0.58548%0.483SS*.Hα-helixtrans-63.5-51.2178.3-169.4-179.775.2-149-2.8110.5E328 E329 W334 L335 E336E328-R332 WeakPolarHBondContact O-CB 3.38Å; E328-R332 PolarHBondContact O-N 3.38Å; E329-R332 PolarHBondContact O-N 3.03Å; E329-R332 VanDerWaalsContact O-N 3.15Å; R332-W334 VanDerWaalsContact C-N 3.29Å; R332-W334 PolarHBondContact O-N 3.12Å; R332-L335 PolarHBondContact O-N 3.25Å; R332-E336 VanDerWaalsContact O-CB 3.28Å; R332-E336 WeakPolarHBondContact O-CB 3.37Å; R332-E336 PolarHBondContact O-N 3.5Å
333V91.8Very high86Confident82 Ų82108 Ų10850%0.49749%0.485SS..Hα-helixtrans-62.5-35.2175.9173.90000111.4E329 E337E329-V333 WeakPolarHBondContact O-CB 3.46Å; E329-V333 WeakPolarHBondContact O-CG2 3.46Å; E329-V333 PolarHBondContact O-N 3.35Å; V333-E337 WeakPolarHBondContact O-CB 3.26Å; V333-E337 PolarHBondContact O-N 2.86Å
334W90.9Very high87.6Confident164 Ų164111.1 Ų111.162%0.62150%0.495SS*.Hα-helixtrans-71.8-35.6175.4-177.548.2000113.4Q330 R331 R332 L338Q330-W334 WeakPolarHBondContact O-CB 3.36Å; Q330-W334 PolarHBondContact O-N 2.79Å; R331-W334 PolarHBondContact O-N 3.04Å; R332-W334 VanDerWaalsContact C-N 3.29Å; R332-W334 PolarHBondContact O-N 3.12Å; W334-L338 HydrophobicContact CD2-CD1 4.22Å; W334-L338 HydrophobicContact CZ2-CD1 4.11Å; W334-L338 WeakPolarHBondContact O-CB 3.43Å; W334-L338 VanDerWaalsContact O-CG 3.27Å; W334-L338 WeakPolarHBondContact O-CG 3.42Å; W334-L338 PolarHBondContact O-N 2.95Å
335L95.6Very high88.3Confident93 Ų93111.5 Ų111.549%0.48750%0.498SS..Hα-helixtrans-68.1-45.4172.1-74166.7000111.1R331 R332 E337 L338 D339R331-L335 WeakPolarHBondContact O-CB 3.46Å; R331-L335 VanDerWaalsContact O-CG 3.29Å; R331-L335 WeakPolarHBondContact O-CG 3.47Å; R331-L335 PolarHBondContact O-N 3.37Å; R332-L335 PolarHBondContact O-N 3.25Å; L335-E337 VanDerWaalsContact C-N 3.34Å; L335-E337 PolarHBondContact O-N 3.05Å; L335-L338 WeakPolarHBondContact O-CB 3.35Å; L335-L338 PolarHBondContact O-N 3.39Å; L335-L338 VanDerWaalsContact O-N 3.09Å; L335-D339 PolarHBondContact O-N 3.44Å
336E91.6Very high89.1Confident125 Ų125107.8 Ų107.858%0.58449%0.488SS*.Hα-helixtrans-57.8-43.6173.8-176.4174.6-163.400111.6R332 D339 R340R332-E336 VanDerWaalsContact O-CB 3.28Å; R332-E336 WeakPolarHBondContact O-CB 3.37Å; R332-E336 PolarHBondContact O-N 3.5Å; E336-D339 PolarHBondContact O-N 3.41Å; E336-R340 VanDerWaalsContact O-CB 3.29Å; E336-R340 WeakPolarHBondContact O-CB 3.47Å; E336-R340 PolarHBondContact O-N 2.88Å
337E93.6Very high90Very high62 Ų62104.5 Ų104.529%0.2948%0.479SS..Hα-helixtrans-65.7-35.7173.217458.3-157.800112.7V333 L335 R340 Q341V333-E337 WeakPolarHBondContact O-CB 3.26Å; V333-E337 PolarHBondContact O-N 2.86Å; L335-E337 VanDerWaalsContact C-N 3.34Å; L335-E337 PolarHBondContact O-N 3.05Å; E337-R340 VanDerWaalsContact CD-NH2 3.25Å; E337-R340 IonicContact OE1-CZ 2.65Å; E337-R340 IonicContact OE1-NE 3.64Å; E337-R340 IonicContact OE1-NH2 2.67Å; E337-R340 PolarHBondContact OE1-NH2 2.83Å; E337-R340 IonicContact OE2-CZ 3.15Å; E337-R340 VanDerWaalsContact OE2-CZ 3.24Å; E337-R340 IonicContact OE2-NE 2.77Å; E337-R340 PolarHBondContact OE2-NE 3.32Å; E337-R340 IonicContact OE2-NH2 3.14Å; E337-R340 PolarHBondContact OE2-NH2 3.49Å; E337-Q341 WeakPolarHBondContact O-CB 3.45Å; E337-Q341 VanDerWaalsContact O-CG 3.29Å; E337-Q341 WeakPolarHBondContact O-CG 3.22Å; E337-Q341 PolarHBondContact O-N 2.59Å; E337-Q341 PolarHBondContact OE1-NE2 3.47Å
338L91.6Very high90.6Very high48 Ų48107.6 Ų107.625%0.25149%0.488SS..Hα-helixtrans-67.9-37.5173.8-77.8169.5000112.1W334 L335 Q341 R342W334-L338 HydrophobicContact CD2-CD1 4.22Å; W334-L338 HydrophobicContact CZ2-CD1 4.11Å; W334-L338 WeakPolarHBondContact O-CB 3.43Å; W334-L338 VanDerWaalsContact O-CG 3.27Å; W334-L338 WeakPolarHBondContact O-CG 3.42Å; W334-L338 PolarHBondContact O-N 2.95Å; L335-L338 WeakPolarHBondContact O-CB 3.35Å; L335-L338 PolarHBondContact O-N 3.39Å; L335-L338 VanDerWaalsContact O-N 3.09Å; L338-Q341 PolarHBondContact O-N 2.9Å; L338-R342 VanDerWaalsContact O-CG 3.27Å; L338-R342 WeakPolarHBondContact O-CG 3.36Å; L338-R342 PolarHBondContact O-N 3.44Å
339D89.9Confident90.9Very high82 Ų82109.2 Ų109.244%0.43949%0.489SS..Hα-helixtrans-73-38.8173.9-79.2-52.3000112.1L335 E336 Q341 R342 E343L335-D339 PolarHBondContact O-N 3.44Å; E336-D339 PolarHBondContact O-N 3.41Å; D339-Q341 VanDerWaalsContact C-N 3.28Å; D339-Q341 PolarHBondContact O-N 2.79Å; D339-R342 CarbonylContact O-C 3.6Å; D339-R342 WeakPolarHBondContact O-CB 3.35Å; D339-R342 PolarHBondContact O-N 2.92Å; D339-R342 VanDerWaalsContact OD1-CD 3.24Å; D339-R342 WeakPolarHBondContact OD1-CD 3.44Å; D339-R342 IonicContact OD1-CZ 3.12Å; D339-R342 IonicContact OD1-NE 2.67Å; D339-R342 IonicContact OD1-NH1 2.72Å; D339-R342 PolarHBondContact OD1-NH1 3.06Å; D339-R342 IonicContact OD2-NH1 2.59Å; D339-R342 PolarHBondContact OD2-NH1 3.28Å; D339-E343 PolarHBondContact O-N 2.78Å
340R95.6Very high91.2Very high118 Ų118110.9 Ų110.945%0.44550%0.495SS..Hα-helixtrans-57.3-39.7169-161.9-172.669.266.75.3111.6E336 E337 E343 E344E336-R340 VanDerWaalsContact O-CB 3.29Å; E336-R340 WeakPolarHBondContact O-CB 3.47Å; E336-R340 PolarHBondContact O-N 2.88Å; E337-R340 VanDerWaalsContact CD-NH2 3.25Å; E337-R340 IonicContact OE1-CZ 2.65Å; E337-R340 IonicContact OE1-NE 3.64Å; E337-R340 IonicContact OE1-NH2 2.67Å; E337-R340 PolarHBondContact OE1-NH2 2.83Å; E337-R340 IonicContact OE2-CZ 3.15Å; E337-R340 VanDerWaalsContact OE2-CZ 3.24Å; E337-R340 IonicContact OE2-NE 2.77Å; E337-R340 PolarHBondContact OE2-NE 3.32Å; E337-R340 IonicContact OE2-NH2 3.14Å; E337-R340 PolarHBondContact OE2-NH2 3.49Å; R340-E343 PolarHBondContact O-N 2.96Å; R340-E344 IonicContact CZ-OE2 3.49Å; R340-E344 IonicContact NH1-OE2 2.82Å; R340-E344 PolarHBondContact NH1-OE2 3.43Å; R340-E344 WeakPolarHBondContact O-CB 3.33Å; R340-E344 PolarHBondContact O-N 3.17Å
341Q84Confident91.4Very high93 Ų93109.9 Ų109.944%0.43549%0.49SS..Hα-helixtrans-71.3-33.9173.8-74.3178.226.700113.3E337 L338 D339 T345E337-Q341 WeakPolarHBondContact O-CB 3.45Å; E337-Q341 VanDerWaalsContact O-CG 3.29Å; E337-Q341 WeakPolarHBondContact O-CG 3.22Å; E337-Q341 PolarHBondContact O-N 2.59Å; E337-Q341 PolarHBondContact OE1-NE2 3.47Å; L338-Q341 PolarHBondContact O-N 2.9Å; D339-Q341 VanDerWaalsContact C-N 3.28Å; D339-Q341 PolarHBondContact O-N 2.79Å; Q341-T345 WeakPolarHBondContact O-CB 3.37Å; Q341-T345 VanDerWaalsContact O-CG2 3.29Å; Q341-T345 WeakPolarHBondContact O-CG2 3.45Å; Q341-T345 PolarHBondContact O-N 3.27Å; Q341-T345 PolarHBondContact O-OG1 3.02Å
342R92.8Very high91.6Very high137 Ų137107.8 Ų107.852%0.51749%0.487SS..Hα-helixtrans-65.7-42.2172.3-71.3161.5-171.8151.35.3110.7L338 D339 T345 A346L338-R342 VanDerWaalsContact O-CG 3.27Å; L338-R342 WeakPolarHBondContact O-CG 3.36Å; L338-R342 PolarHBondContact O-N 3.44Å; D339-R342 CarbonylContact O-C 3.6Å; D339-R342 WeakPolarHBondContact O-CB 3.35Å; D339-R342 PolarHBondContact O-N 2.92Å; D339-R342 VanDerWaalsContact OD1-CD 3.24Å; D339-R342 WeakPolarHBondContact OD1-CD 3.44Å; D339-R342 IonicContact OD1-CZ 3.12Å; D339-R342 IonicContact OD1-NE 2.67Å; D339-R342 IonicContact OD1-NH1 2.72Å; D339-R342 PolarHBondContact OD1-NH1 3.06Å; D339-R342 IonicContact OD2-NH1 2.59Å; D339-R342 PolarHBondContact OD2-NH1 3.28Å; R342-T345 PolarHBondContact O-OG1 2.74Å; R342-A346 VanDerWaalsContact O-CB 3.28Å; R342-A346 WeakPolarHBondContact O-CB 3.44Å; R342-A346 PolarHBondContact O-N 2.8Å
343E92.2Very high91.7Very high122 Ų122107.2 Ų107.257%0.5749%0.489SS*.Hα-helixtrans-67.4-54.4175.8-177152.1-122.700111.5D339 R340 T345 A346 E347D339-E343 PolarHBondContact O-N 2.78Å; R340-E343 PolarHBondContact O-N 2.96Å; E343-T345 VanDerWaalsContact C-N 3.25Å; E343-T345 PolarHBondContact O-N 3.43Å; E343-A346 CarbonylContact O-C 3.47Å; E343-A346 WeakPolarHBondContact O-CA 3.35Å; E343-A346 WeakPolarHBondContact O-CB 3.46Å; E343-A346 PolarHBondContact O-N 2.67Å; E343-E347 HydrophobicContact CG-CG 4.06Å; E343-E347 VanDerWaalsContact O-CG 3.32Å; E343-E347 WeakPolarHBondContact O-CG 3.44Å; E343-E347 PolarHBondContact O-N 3.42Å
344E90.9Very high91.7Very high100 Ų100108.4 Ų108.447%0.46749%0.492SS..Hα-helixtrans-55.6-39.5178.9-168.5-168.6130.900111.7R340 R348R340-E344 IonicContact CZ-OE2 3.49Å; R340-E344 IonicContact NH1-OE2 2.82Å; R340-E344 PolarHBondContact NH1-OE2 3.43Å; R340-E344 WeakPolarHBondContact O-CB 3.33Å; R340-E344 PolarHBondContact O-N 3.17Å; E344-R348 WeakPolarHBondContact O-CB 3.33Å; E344-R348 PolarHBondContact O-N 3.04Å
345T83.9Confident91.3Very high74 Ų74106.4 Ų106.445%0.45449%0.489SS..Hα-helixtrans-74.6-28.5174.758.20000113.6Q341 R342 E343 R349Q341-T345 WeakPolarHBondContact O-CB 3.37Å; Q341-T345 VanDerWaalsContact O-CG2 3.29Å; Q341-T345 WeakPolarHBondContact O-CG2 3.45Å; Q341-T345 PolarHBondContact O-N 3.27Å; Q341-T345 PolarHBondContact O-OG1 3.02Å; R342-T345 PolarHBondContact O-OG1 2.74Å; E343-T345 VanDerWaalsContact C-N 3.25Å; E343-T345 PolarHBondContact O-N 3.43Å; T345-R349 WeakPolarHBondContact O-CB 3.45Å; T345-R349 VanDerWaalsContact O-CD 3.31Å; T345-R349 WeakPolarHBondContact O-CD 3.41Å; T345-R349 WeakPolarHBondContact O-CG 3.26Å; T345-R349 PolarHBondContact O-N 3.49Å; T345-R349 VanDerWaalsContact O-N 3.14Å
346A94.6Very high90.7Very high41 Ų41108.4 Ų108.434%0.33949%0.491SS..Hα-helixtrans-71.4-42.217000000111.7R342 E343 R349 K350R342-A346 VanDerWaalsContact O-CB 3.28Å; R342-A346 WeakPolarHBondContact O-CB 3.44Å; R342-A346 PolarHBondContact O-N 2.8Å; E343-A346 CarbonylContact O-C 3.47Å; E343-A346 WeakPolarHBondContact O-CA 3.35Å; E343-A346 WeakPolarHBondContact O-CB 3.46Å; E343-A346 PolarHBondContact O-N 2.67Å; A346-R349 CarbonylContact O-C 3.51Å; A346-R349 WeakPolarHBondContact O-CB 3.5Å; A346-R349 PolarHBondContact O-N 3.25Å; A346-K350 WeakPolarHBondContact O-CG 3.49Å; A346-K350 PolarHBondContact O-N 3.32Å
347E94.4Very high90.4Very high89 Ų89110.3 Ų110.342%0.41649%0.492SS..Hα-helixtrans-62.8-49.1174.8-66.5-138.3117.400111.8E343 R349 K350 Q351E343-E347 HydrophobicContact CG-CG 4.06Å; E343-E347 VanDerWaalsContact O-CG 3.32Å; E343-E347 WeakPolarHBondContact O-CG 3.44Å; E343-E347 PolarHBondContact O-N 3.42Å; E347-R349 PolarHBondContact O-N 2.96Å; E347-K350 CarbonylContact O-C 3.56Å; E347-K350 WeakPolarHBondContact O-CA 3.47Å; E347-K350 WeakPolarHBondContact O-CB 3.5Å; E347-K350 PolarHBondContact O-N 3.44Å; E347-Q351 WeakPolarHBondContact O-CG 3.48Å; E347-Q351 PolarHBondContact O-N 3.24Å
348R92.1Very high89.5Confident174 Ų174113.2 Ų113.266%0.65751%0.506SS*.Hα-helixtrans-55.9-38.6172.7-177.6174.2174.9163.81.6111.5E344 Q351 E352E344-R348 WeakPolarHBondContact O-CB 3.33Å; E344-R348 PolarHBondContact O-N 3.04Å; R348-Q351 PolarHBondContact O-N 2.83Å; R348-E352 WeakPolarHBondContact O-CB 3.28Å; R348-E352 PolarHBondContact O-N 3.49Å
349R92.1Very high88.7Confident152 Ų152114.2 Ų114.257%0.57451%0.514SS*.Hα-helixtrans-70.5-31.7172.8-76.9167.7167.2-175.4-6.1113.5T345 A346 E347 K353T345-R349 WeakPolarHBondContact O-CB 3.45Å; T345-R349 VanDerWaalsContact O-CD 3.31Å; T345-R349 WeakPolarHBondContact O-CD 3.41Å; T345-R349 WeakPolarHBondContact O-CG 3.26Å; T345-R349 PolarHBondContact O-N 3.49Å; T345-R349 VanDerWaalsContact O-N 3.14Å; A346-R349 CarbonylContact O-C 3.51Å; A346-R349 WeakPolarHBondContact O-CB 3.5Å; A346-R349 PolarHBondContact O-N 3.25Å; E347-R349 PolarHBondContact O-N 2.96Å; R349-K353 VanDerWaalsContact O-CB 3.29Å; R349-K353 WeakPolarHBondContact O-CB 3.34Å; R349-K353 WeakPolarHBondContact O-CD 3.42Å; R349-K353 WeakPolarHBondContact O-CG 3.43Å; R349-K353 PolarHBondContact O-N 2.85Å
350K93.4Very high88.2Confident126 Ų126112.9 Ų112.955%0.54851%0.505SS..Hα-helixtrans-66.4-46.7171.3-67.1167.4-162.5165.60109.9A346 E347 K353 L354A346-K350 WeakPolarHBondContact O-CG 3.49Å; A346-K350 PolarHBondContact O-N 3.32Å; E347-K350 CarbonylContact O-C 3.56Å; E347-K350 WeakPolarHBondContact O-CA 3.47Å; E347-K350 WeakPolarHBondContact O-CB 3.5Å; E347-K350 PolarHBondContact O-N 3.44Å; K350-K353 PolarHBondContact O-N 2.78Å; K350-L354 PolarHBondContact O-N 3.01Å
351Q88.6Confident87.3Confident109 Ų109111.6 Ų111.651%0.50951%0.507SS..Hα-helixtrans-65.2-44.7177.7-66.3174.614.300112.1E347 R348 K353 L354 Q355E347-Q351 WeakPolarHBondContact O-CG 3.48Å; E347-Q351 PolarHBondContact O-N 3.24Å; R348-Q351 PolarHBondContact O-N 2.83Å; Q351-K353 VanDerWaalsContact C-N 3.34Å; Q351-K353 PolarHBondContact O-N 2.87Å; Q351-L354 WeakPolarHBondContact O-CB 3.22Å; Q351-L354 PolarHBondContact O-N 3.37Å; Q351-L354 VanDerWaalsContact O-N 3.11Å; Q351-Q355 WeakPolarHBondContact O-CG 3.38Å; Q351-Q355 PolarHBondContact O-N 2.84Å
352E91.4Very high86.7Confident117 Ų117114.4 Ų114.455%0.54752%0.52SS..Hα-helixtrans-60.1-42.5173.4-175.5-176.716700110.9R348 L354 R356R348-E352 WeakPolarHBondContact O-CB 3.28Å; R348-E352 PolarHBondContact O-N 3.49Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 2.84Å; E352-R356 WeakPolarHBondContact O-CB 3.34Å; E352-R356 PolarHBondContact O-N 3.47Å
353K94.9Very high86Confident144 Ų144114 Ų11463%0.62652%0.524SS*.Hα-helixtrans-65.6-32.7173-76.9172.2-179.8-1770113.3R349 K350 Q351 R357R349-K353 VanDerWaalsContact O-CB 3.29Å; R349-K353 WeakPolarHBondContact O-CB 3.34Å; R349-K353 WeakPolarHBondContact O-CD 3.42Å; R349-K353 WeakPolarHBondContact O-CG 3.43Å; R349-K353 PolarHBondContact O-N 2.85Å; K350-K353 PolarHBondContact O-N 2.78Å; Q351-K353 VanDerWaalsContact C-N 3.34Å; Q351-K353 PolarHBondContact O-N 2.87Å; K353-R357 WeakPolarHBondContact O-CB 3.33Å; K353-R357 VanDerWaalsContact O-CG 3.26Å; K353-R357 WeakPolarHBondContact O-CG 3.42Å; K353-R357 PolarHBondContact O-N 3.39Å
354L92.4Very high85.5Confident106 Ų106113.7 Ų113.756%0.55552%0.523SS*.Hα-helixtrans-69.7-48.8176.3-168.280000110.8K350 Q351 E352 R357 Q358K350-L354 PolarHBondContact O-N 3.01Å; Q351-L354 WeakPolarHBondContact O-CB 3.22Å; Q351-L354 PolarHBondContact O-N 3.37Å; Q351-L354 VanDerWaalsContact O-N 3.11Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 2.84Å; L354-R357 PolarHBondContact O-N 3.5Å; L354-Q358 WeakPolarHBondContact O-CG 3.47Å; L354-Q358 PolarHBondContact O-N 2.83Å
355Q80.9Confident84.6Confident122 Ų122119 Ų11957%0.5754%0.539SS*.Hα-helixtrans-62.7-43.6175.5-68.3174.521.900111Q351 R357 Q358 T359Q351-Q355 WeakPolarHBondContact O-CG 3.38Å; Q351-Q355 PolarHBondContact O-N 2.84Å; Q355-R357 PolarHBondContact O-N 3Å; Q355-Q358 PolarHBondContact O-N 3.37Å; Q355-T359 PolarHBondContact O-N 3.49Å; Q355-T359 PolarHBondContact O-OG1 3.47Å
356R83.3Confident83.9Confident136 Ų136118.2 Ų118.251%0.51354%0.539SS..Hα-helixtrans-63.3-38.6176.9-170.9175.9177-72.1-17.5112.1E352 T359 E360E352-R356 WeakPolarHBondContact O-CB 3.34Å; E352-R356 PolarHBondContact O-N 3.47Å; R356-T359 WeakPolarHBondContact CA-OG1 3.47Å; R356-T359 PolarHBondContact O-N 3.34Å; R356-T359 PolarHBondContact O-OG1 2.9Å; R356-E360 HydrophobicContact CG-CG 4.37Å; R356-E360 IonicContact CZ-OE1 3.04Å; R356-E360 IonicContact CZ-OE2 3.47Å; R356-E360 IonicContact NH1-OE1 2.73Å; R356-E360 PolarHBondContact NH1-OE1 2.8Å; R356-E360 IonicContact NH1-OE2 2.74Å; R356-E360 PolarHBondContact NH1-OE2 2.87Å; R356-E360 IonicContact NH2-OE1 2.71Å; R356-E360 PolarHBondContact NH2-OE1 3.34Å; R356-E360 IonicContact NH2-OE2 3.92Å; R356-E360 VanDerWaalsContact O-CB 3.24Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 VanDerWaalsContact O-CG 3.23Å; R356-E360 WeakPolarHBondContact O-CG 3.42Å; R356-E360 PolarHBondContact O-N 3.3Å
357R85.4Confident83Confident164 Ų164119.4 Ų119.462%0.61955%0.549SS*.Hα-helixtrans-62.1-48.5170.1-81.6173.2173-86.23.2111.4K353 L354 Q355 T359 E360 D361K353-R357 WeakPolarHBondContact O-CB 3.33Å; K353-R357 VanDerWaalsContact O-CG 3.26Å; K353-R357 WeakPolarHBondContact O-CG 3.42Å; K353-R357 PolarHBondContact O-N 3.39Å; L354-R357 PolarHBondContact O-N 3.5Å; Q355-R357 PolarHBondContact O-N 3Å; R357-T359 VanDerWaalsContact C-N 3.32Å; R357-T359 PolarHBondContact O-N 2.87Å; R357-E360 PolarHBondContact O-N 3.33Å; R357-D361 WeakPolarHBondContact O-CB 3.26Å; R357-D361 PolarHBondContact O-N 2.92Å; R357-D361 VanDerWaalsContact O-OD2 3.12Å
358Q74.5Confident81.7Confident123 Ų123122.1 Ų122.158%0.57556%0.561SS**Hα-helixtrans-59.3-40.1177.5-72.3178.91.900112.8L354 Q355 H362L354-Q358 WeakPolarHBondContact O-CG 3.47Å; L354-Q358 PolarHBondContact O-N 2.83Å; Q355-Q358 PolarHBondContact O-N 3.37Å; Q358-H362 WeakPolarHBondContact O-CB 3.39Å; Q358-H362 PolarHBondContact O-N 3.05Å
359T74.7Confident80.1Confident70 Ų70121.4 Ų121.443%0.42956%0.564SS.*Hα-helixtrans-72.4-40.1174.454.20000112.3Q355 R356 R357 H362 E363Q355-T359 PolarHBondContact O-N 3.49Å; Q355-T359 PolarHBondContact O-OG1 3.47Å; R356-T359 WeakPolarHBondContact CA-OG1 3.47Å; R356-T359 PolarHBondContact O-N 3.34Å; R356-T359 PolarHBondContact O-OG1 2.9Å; R357-T359 VanDerWaalsContact C-N 3.32Å; R357-T359 PolarHBondContact O-N 2.87Å; T359-H362 PolarHBondContact O-N 3.01Å; T359-E363 VanDerWaalsContact O-CB 3.28Å; T359-E363 WeakPolarHBondContact O-CB 3.48Å; T359-E363 VanDerWaalsContact O-CG 3.25Å; T359-E363 WeakPolarHBondContact O-CG 3.41Å; T359-E363 PolarHBondContact O-N 2.79Å
360E79.6Confident78.5Confident53 Ų53117.5 Ų117.525%0.24855%0.554CS.*Hα-helixtrans-61.1-46174.4-80.5175.812800110.6R356 R357 H362 E363 H364R356-E360 HydrophobicContact CG-CG 4.37Å; R356-E360 IonicContact CZ-OE1 3.04Å; R356-E360 IonicContact CZ-OE2 3.47Å; R356-E360 IonicContact NH1-OE1 2.73Å; R356-E360 PolarHBondContact NH1-OE1 2.8Å; R356-E360 IonicContact NH1-OE2 2.74Å; R356-E360 PolarHBondContact NH1-OE2 2.87Å; R356-E360 IonicContact NH2-OE1 2.71Å; R356-E360 PolarHBondContact NH2-OE1 3.34Å; R356-E360 IonicContact NH2-OE2 3.92Å; R356-E360 VanDerWaalsContact O-CB 3.24Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 VanDerWaalsContact O-CG 3.23Å; R356-E360 WeakPolarHBondContact O-CG 3.42Å; R356-E360 PolarHBondContact O-N 3.3Å; R357-E360 PolarHBondContact O-N 3.33Å; E360-H362 PolarHBondContact O-N 3.26Å; E360-E363 PolarHBondContact O-N 3.36Å; E360-H364 WeakPolarHBondContact O-CB 3.36Å; E360-H364 PolarHBondContact O-N 3.17Å; E360-H364 PolarHBondContact O-ND1 2.92Å
361D77.1Confident76.8Confident91 Ų91115.4 Ų115.449%0.48756%0.555SS.*Hα-helixtrans-57.6-50.3175.6-65.7-33.4000109.7R357 E363 H364 W365R357-D361 WeakPolarHBondContact O-CB 3.26Å; R357-D361 PolarHBondContact O-N 2.92Å; R357-D361 VanDerWaalsContact O-OD2 3.12Å; D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.06Å; D361-H364 PolarHBondContact O-N 2.88Å; D361-W365 WeakPolarHBondContact O-CB 3.32Å; D361-W365 PolarHBondContact O-N 2.84Å
362H71.8Confident75.2Confident153 Ų153116.4 Ų116.471%0.70856%0.563SS**Hα-helixtrans-61.5-38.7177.5-129.272.6000113.2Q358 T359 E360 A366Q358-H362 WeakPolarHBondContact O-CB 3.39Å; Q358-H362 PolarHBondContact O-N 3.05Å; T359-H362 PolarHBondContact O-N 3.01Å; E360-H362 PolarHBondContact O-N 3.26Å; H362-A366 VanDerWaalsContact O-CB 3.24Å; H362-A366 WeakPolarHBondContact O-CB 3.48Å; H362-A366 PolarHBondContact O-N 2.89Å
363E78.6Confident73.4Confident129 Ų129117.8 Ų117.860%0.60357%0.57SS**Hα-helixtrans-71.2-36.9177.7-75.7173.5-169.500112.4T359 E360 D361 A366 A367T359-E363 VanDerWaalsContact O-CB 3.28Å; T359-E363 WeakPolarHBondContact O-CB 3.48Å; T359-E363 VanDerWaalsContact O-CG 3.25Å; T359-E363 WeakPolarHBondContact O-CG 3.41Å; T359-E363 PolarHBondContact O-N 2.79Å; E360-E363 PolarHBondContact O-N 3.36Å; D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.06Å; E363-A366 PolarHBondContact O-N 3.49Å; E363-A367 WeakPolarHBondContact O-CB 3.43Å; E363-A367 PolarHBondContact O-N 3.38Å
364H80.1Confident71.2Confident115 Ų115121.2 Ų121.253%0.53258%0.579SS.*Hα-helixtrans-67.4-45.7174-75.973000110.5E360 D361 A366 A367 H368E360-H364 WeakPolarHBondContact O-CB 3.36Å; E360-H364 PolarHBondContact O-N 3.17Å; E360-H364 PolarHBondContact O-ND1 2.92Å; D361-H364 PolarHBondContact O-N 2.88Å; H364-A366 PolarHBondContact O-N 3.21Å; H364-A367 PolarHBondContact O-N 3.4Å; H364-H368 PolarHBondContact O-CD2 3.37Å; H364-H368 PolarHBondContact O-N 2.82Å
365W71.8Confident69.3Low212 Ų212127.1 Ų127.180%0.80359%0.594SS**Hα-helixtrans-60.2-42.3173.6-83.982.3000112D361 H368D361-W365 WeakPolarHBondContact O-CB 3.32Å; D361-W365 PolarHBondContact O-N 2.84Å; W365-H368 PolarHBondContact O-N 3.1Å
366A70.6Confident67.2Low57 Ų57125.7 Ų125.747%0.47160%0.602SS.*Hα-helixtrans-66.3-41.1175.800000112.9H362 E363 H364 H368 F369 D370H362-A366 VanDerWaalsContact O-CB 3.24Å; H362-A366 WeakPolarHBondContact O-CB 3.48Å; H362-A366 PolarHBondContact O-N 2.89Å; E363-A366 PolarHBondContact O-N 3.49Å; H364-A366 PolarHBondContact O-N 3.21Å; A366-H368 VanDerWaalsContact C-N 3.26Å; A366-H368 PolarHBondContact O-N 3.16Å; A366-F369 PolarHBondContact O-N 3.33Å; A366-D370 PolarHBondContact O-N 3.25Å
367A75.4Confident65.4Low66 Ų66124.3 Ų124.355%0.54561%0.611SS.*Hα-helixtrans-62.8-30.9179.500000113E363 H364E363-A367 WeakPolarHBondContact O-CB 3.43Å; E363-A367 PolarHBondContact O-N 3.38Å; H364-A367 PolarHBondContact O-N 3.4Å
368H66.4Low63.2Low145 Ų145121.3 Ų121.367%0.67162%0.622SS**Hα-helixtrans-64.1-41.6171.2-73.4-60.6000112.1H364 W365 A366 S371H364-H368 PolarHBondContact O-CD2 3.37Å; H364-H368 PolarHBondContact O-N 2.82Å; W365-H368 PolarHBondContact O-N 3.1Å; A366-H368 VanDerWaalsContact C-N 3.26Å; A366-H368 PolarHBondContact O-N 3.16Å; H368-S371 PolarHBondContact O-OG 2.87Å
369F59.9Low61.7Low160 Ų160123.4 Ų123.470%0.70263%0.631SS**Hα-helixtrans-76.8-39.3-177.9-134.8-93.6000113.2A366 S371 L372A366-F369 PolarHBondContact O-N 3.33Å; F369-S371 PolarHBondContact O-N 2.93Å; F369-S371 VanDerWaalsContact O-N 3.13Å; F369-L372 PolarHBondContact O-N 3.35Å; F369-L372 VanDerWaalsContact O-N 3.13Å
370D57.7Low60.3Low70 Ų70125.4 Ų125.437%0.37465%0.646SS.*Hα-helixtrans-69-13-176.5-153.245.3000113.4A366 L372 Q373A366-D370 PolarHBondContact O-N 3.25Å; D370-L372 PolarHBondContact O-N 2.84Å; D370-Q373 PolarHBondContact O-N 3.44Å; D370-Q373 PolarHBondContact OD1-NE2 2.84Å
371S56.5Low58.2Low82 Ų82127.8 Ų127.857%0.57368%0.675SS**THydrogen-bonded Turntrans-59.1-29.4170.373.80000113.4H368 F369H368-S371 PolarHBondContact O-OG 2.87Å; F369-S371 PolarHBondContact O-N 2.93Å; F369-S371 VanDerWaalsContact O-N 3.13Å
372L56.5Low56.1Low129 Ų129127.8 Ų127.868%0.67569%0.687SS**THydrogen-bonded Turntrans-79-27-178.9-65.8169.8000112.8F369 D370 R374F369-L372 PolarHBondContact O-N 3.35Å; F369-L372 VanDerWaalsContact O-N 3.13Å; D370-L372 PolarHBondContact O-N 2.84Å; L372-R374 VanDerWaalsContact C-N 3.35Å; L372-R374 PolarHBondContact O-N 2.88Å
373Q52.4Low54.9Low147 Ų147127 Ų12769%0.68770%0.696SS**THydrogen-bonded Turntrans-77.1-18.7-175.1-60.3-157.296.400113.5D370 R375D370-Q373 PolarHBondContact O-N 3.44Å; D370-Q373 PolarHBondContact OD1-NE2 2.84Å; Q373-R375 PolarHBondContact O-N 3.46Å
374R49Very low52.7Low216 Ų216124.7 Ų124.782%0.81571%0.706SS**THydrogen-bonded Turntrans-8027.2-177.7-60.5-164.4-175.7-145.71.9114.9L372L372-R374 VanDerWaalsContact C-N 3.35Å; L372-R374 PolarHBondContact O-N 2.88Å
375R52.2Low50.6Low230 Ų230130.7 Ų130.787%0.86872%0.724SS**  trans-130.746.6176.1-155.8173.2-176.9155.91.2114Q373Q373-R375 PolarHBondContact O-N 3.46Å
376A38.3Very low48.6Very low91 Ų91128.4 Ų128.475%0.75273%0.727SS**  trans-62.3135.2163.700000110.7
377P44.5Very low46.8Very low107 Ų107131.7 Ų131.770%0.69575%0.746SS**  trans-81.9138.7-175.131.6-34.7000113Q379P377-Q379 PolarHBondContact O-N 3.21Å
378A39.7Very low44.6Very low102 Ų102132 Ų13284%0.84376%0.755SS**  trans-77.1115.5166.500000110.1
379Q43.8Very low43.2Very low166 Ų166129.8 Ų129.878%0.77676%0.756SS**PPolyproline II helixtrans-83.3135.1179.8-66.6-75.710.800112.3P377P377-Q379 PolarHBondContact O-N 3.21Å
380P43.6Very low41.9Very low113 Ų113128.9 Ų128.973%0.73475%0.754SS**PPolyproline II helixtrans-97163.114735.3-28.2000111.1
381A35.2Very low40.8Very low103 Ų103134.2 Ų134.285%0.85177%0.769SS**PPolyproline II helixtrans-78.2156.3-168.900000115.3
382A34.6Very low39.7Very low91 Ų91136.8 Ų136.875%0.75278%0.777SS**PPolyproline II helixtrans-83.1168169.100000111
383P45.9Very low38.6Very low137 Ų137137.7 Ų137.789%0.8978%0.782SS**  -139.9156.164.438.5-22.1000116.2
384G32.1Very low37.6Very low79 Ų79141.4 Ų141.481%0.81479%0.79SS**  trans179131169.100000112.8
385R35.4Very low36.8Very low241 Ų241137.3 Ų137.391%0.90978%0.784SS**  trans-88.8160.7172.4-66.7178165.6-147.2-2.2108.8
386L31.8Very low37Very low165 Ų165130.9 Ų130.986%0.86477%0.773SS**  cis-149.417845.9-85.8166.3000114.1
387S32.5Very low36.6Very low125 Ų125132.5 Ų132.587%0.87478%0.778SS**  trans-77.9159.1-173.3-168.30000114.7
388G28.7Very low35.9Very low72 Ų72133.2 Ų133.274%0.74279%0.786SS**  trans142.5119.116500000112.6
389S36.2Very low35.9Very low99 Ų99133.5 Ų133.569%0.69278%0.782SS**  cis173.2161.4-19.5171.60000103.8
390E33.2Very low35.3Very low141 Ų141133.2 Ų133.266%0.65978%0.784SS**  trans73.6106.3177.1-41.1-150.584.700113
391R34.3Very low35Very low183 Ų183132.4 Ų132.469%0.69178%0.782SS**  76.9114.670-74.8-173-76.9-119.53.1112.5
392D32.9Very low35.1Very low136 Ų136133.7 Ų133.773%0.72777%0.773SS**  47.3134.1121.5-38.6-39.6000117.8
393D33.4Very low35.3Very low148 Ų148135.2 Ų135.279%0.79177%0.773SS**  cis-155.9-174.139.3-134.3-39.8000115.4
394W31.5Very low34.8Very low224 Ų224140.6 Ų140.685%0.84878%0.776SS**  trans-84123.4-168-78.272.6000117.6
395N33.5Very low35Very low130 Ų130146 Ų14670%0.69578%0.78SS**  65.1-160.8125-148.522.6000117
396P55.2Low35.2Very low96 Ų96137.3 Ų137.362%0.62377%0.766SS**  -118.4157.1-11137.7-23.1000116.7
397S30.4Very low35.4Very low124 Ų124136.4 Ų136.487%0.86777%0.767SS**  trans-173.6129.4139.1-85.60000112.9
398S31.2Very low35.7Very low123 Ų123136.1 Ų136.186%0.8677%0.765SS**  -175.5148.6106.7-163.50000111.4
399S39.1Very low35.9Very low108 Ų108137.5 Ų137.576%0.75576%0.764SS**  trans-76.8153.3-179.4-540000113.2
400L30.9Very low36Very low159 Ų159138.8 Ų138.883%0.83277%0.771SS**  trans171.4123.5137.7-88164.7000105.4
401S37.1Very low36.2Very low97 Ų97136 Ų13668%0.67878%0.781SS**  78.6150.351.9-1580000113.5
402L37Very low36.2Very low129 Ų129132.3 Ų132.368%0.67579%0.789SS**  trans69.4129.4-166.2-7470.4000113.1
403V39.7Very low36.6Very low124 Ų124133.9 Ų133.975%0.75280%0.797SS**  cis69.199.632.2-169.10000112.4
404W35.6Very low37.1Very low250 Ų250132.6 Ų132.695%0.94780%0.8SS**  trans-11683.6-178.2-77.6100.1000112.8
405E36.1Very low37.6Very low191 Ų191127.7 Ų127.789%0.89379%0.794SS**  trans-128.4144.3146.9-63-178.1142.900105.2
406G39.4Very low37.9Very low59 Ų59130.1 Ų130.161%0.60880%0.803SS**  cis170.9159.7-4.800000109.6
407T36.3Very low36.8Very low147 Ų147130.2 Ų130.290%0.90281%0.812SS**  trans72.5167.217879.10000117.9
408S38Very low37Very low118 Ų118129 Ų12983%0.82581%0.81SS**  trans72.3147.2-179.9-161.30000116.6
409S33.6Very low37.2Very low102 Ų102129.1 Ų129.171%0.71381%0.811SS**  cis-164.9155.2-36.8-1720000108.4
410C38.3Very low37.5Very low126 Ų126130.4 Ų130.485%0.85181%0.814SS**  trans-25.9128.4-178.1-50.80000120
411G37.1Very low37.7Very low83 Ų83129 Ų12986%0.85681%0.807SS**  95118.8121.400000120.2
412A34.7Very low38.1Very low104 Ų104130 Ų13086%0.8681%0.814SS**  trans-168.2119.1143.900000110.7
413D40Very low38.4Very low170 Ų170129.2 Ų129.291%0.90982%0.815SS**  trans-83.6146.5164-72.4-62.1000110.6
414S43.6Very low38.5Very low121 Ų121135.2 Ų135.285%0.84682%0.824SS**  trans-157.6160.3153.5-162.50000110.9
415V41.9Very low38.4Very low121 Ų121127 Ų12773%0.73382%0.817SS**  trans-132.5157.1-151.3-67.50000115
416M40.3Very low38.8Very low180 Ų180127.6 Ų127.689%0.88782%0.817SS**  trans69.2104.6151.5-67.9-93.3-78.300120.5
417A32.4Very low39.6Very low98 Ų98130.3 Ų130.381%0.8182%0.824SS**  -172.8118.2129.800000108.2
418A35.6Very low39.9Very low99 Ų99128 Ų12882%0.81881%0.814SS**  cis78.693.246.200000114.6
419S35.1Very low40.3Very low126 Ų126134 Ų13488%0.88182%0.819SS**  trans-160.7170.4150.1-161.40000110.6
420V43.9Very low41.1Very low134 Ų134133 Ų13381%0.81281%0.812SS**  trans-116.7151.9-156176.50000114.3
421D35.4Very low41.9Very low129 Ų129132.4 Ų132.469%0.6981%0.809SS**  trans-10143.1167.2-165.417.9000120
422S45.7Very low42.6Very low119 Ų119139.1 Ų139.183%0.83281%0.81SS**  trans-153.8132.5157.8-810000110.6
423T43Very low43.3Very low113 Ų113140.2 Ų140.269%0.69380%0.801SS**  trans-89146.2-156.253.60000116
424R42.1Very low44.1Very low249 Ų249144 Ų14494%0.9480%0.802SS**  trans55.4106.5155.2-70.4-178.2169.5-164.4-2.4118.7
425G33.7Very low44.7Very low78 Ų78142.3 Ų142.380%0.80479%0.788SS**  trans-169.684.5162.200000115.1
426F44.7Very low45.2Very low203 Ų203141.1 Ų141.189%0.8978%0.775SS**  trans-108.7138.8164.4-80.5-65.5000108.2
427P55.9Low46.1Very low116 Ų116135.5 Ų135.575%0.75375%0.751SS**  -149.8142.270.337.5-17.5000119.2
428S43.6Very low47.2Very low100 Ų100135.5 Ų135.570%0.69975%0.745SS**  trans80.7143.7138.180.90000122.2
429R45.8Very low48.4Very low242 Ų242137 Ų13791%0.91374%0.739SS**  trans70.3137.4168-68.5-179.3158.5-154.2-3.9117.6
430S49.6Very low49.7Very low81 Ų81132.8 Ų132.857%0.56671%0.706SS**  cis-158.2132.6-9.749.70000114Y432S430-Y432 WeakPolarHBondContact O-CD2 3.38Å; S430-Y432 PolarHBondContact O-N 3.48Å
431S55.7Low51.4Low115 Ų115130.7 Ų130.780%0.80469%0.69SS**  trans5157.7151.266.40000119.3
432Y51.3Low53.5Low223 Ų223128.8 Ų128.888%0.87569%0.685SS**  trans-112.321161.7-73.9-76.1000114.1S430S430-Y432 WeakPolarHBondContact O-CD2 3.38Å; S430-Y432 PolarHBondContact O-N 3.48Å
433L50.1Low55.3Low127 Ų127125.8 Ų125.867%0.66567%0.668SS**  trans-102.154.2169.6-81.8168.8000112T435 M436L433-T435 PolarHBondContact O-N 3.44Å; L433-M436 HydrophobicContact CB-CG 4.49Å; L433-M436 HydrophobicContact CD2-SD 4.49Å
434R56.4Low57.2Low249 Ų249124.5 Ų124.594%0.9465%0.654SS**  trans-78.5-4.3165.8-160.8166.3-177.3164.80.5112.4
435T57Low59.1Low87 Ų87114.8 Ų114.853%0.53462%0.62SS.*  trans-106.946.5177.6-33.70000111.3L433 T437L433-T435 PolarHBondContact O-N 3.44Å; T435-T437 PolarHBondContact O-N 2.86Å
436M51.5Low61.7Low96 Ų96116 Ų11647%0.47360%0.604SS.*THydrogen-bonded Turntrans-71.157.6167.1-81.1-60.9-55.300111.1L433 L439 L440L433-M436 HydrophobicContact CB-CG 4.49Å; L433-M436 HydrophobicContact CD2-SD 4.49Å; M436-L439 HydrophobicContact CE-CB 4.47Å; M436-L439 HydrophobicContact SD-CD1 4.3Å; M436-L440 WeakPolarHBondContact O-CD1 3.44Å
437T58.8Low63.8Low61 Ų61110.7 Ų110.737%0.37458%0.583SS.*THydrogen-bonded Turntrans-132.4-34.3176.247.40000111.8T435 L439 L440 I445T435-T437 PolarHBondContact O-N 2.86Å; T437-L439 PolarHBondContact O-N 3.43Å; T437-L440 WeakPolarHBondContact O-CB 3.43Å; T437-L440 PolarHBondContact O-N 2.9Å; T437-L440 VanDerWaalsContact O-N 3.16Å; T437-I445 VanDerWaalsContact O-CD1 3.24Å; T437-I445 WeakPolarHBondContact O-CD1 3.49Å
438S56.1Low65.2Low98 Ų98110.6 Ų110.669%0.68557%0.567SS**THydrogen-bonded Turntrans-74.7-6.717661.30000114.7
439L60.3Low67.4Low131 Ų131110.1 Ų110.169%0.68655%0.554SS**THydrogen-bonded Turntrans-104.716.1170.5-61.8179.9000112.3M436 T437M436-L439 HydrophobicContact CE-CB 4.47Å; M436-L439 HydrophobicContact SD-CD1 4.3Å; T437-L439 PolarHBondContact O-N 3.43Å
440L63.1Low69.7Low38 Ų38105.5 Ų105.520%0.19954%0.536CS..SBendtrans-106.2142.6171.2-61174.6000109M436 T437 I445 R448M436-L440 WeakPolarHBondContact O-CD1 3.44Å; T437-L440 WeakPolarHBondContact O-CB 3.43Å; T437-L440 PolarHBondContact O-N 2.9Å; T437-L440 VanDerWaalsContact O-N 3.16Å; L440-I445 HydrophobicContact CB-CG1 4.16Å; L440-R448 VanDerWaalsContact CD1-CZ 3.47Å
441D80.1Confident71.8Confident89 Ų89108.5 Ų108.548%0.47654%0.535SS..  trans-44.3126164167.19.9000110.1A443 Q444 I445D441-A443 PolarHBondContact O-N 3.47Å; D441-A443 VanDerWaalsContact O-N 3.08Å; D441-A443 WeakPolarHBondContact OD1-CB 3.35Å; D441-A443 PolarHBondContact OD1-N 2.9Å; D441-Q444 HydrophobicContact CB-CG 4.23Å; D441-Q444 WeakPolarHBondContact O-CA 3.44Å; D441-Q444 WeakPolarHBondContact O-CB 3.45Å; D441-Q444 PolarHBondContact O-N 2.9Å; D441-I445 PolarHBondContact O-N 3.48Å
442P80.1Confident73.7Confident89 Ų89110.1 Ų110.158%0.57852%0.524SS*.Hα-helixtrans-48-36.4179-30.736.4000113.9Q444 I445 E446P442-Q444 VanDerWaalsContact C-N 3.27Å; P442-Q444 PolarHBondContact O-N 3.46Å; P442-I445 WeakPolarHBondContact O-CB 3.32Å; P442-I445 PolarHBondContact O-N 2.87Å; P442-E446 PolarHBondContact O-N 3.34Å
443A82.3Confident75.8Confident57 Ų57104.7 Ų104.747%0.47151%0.51SS..Hα-helixtrans-60.5-35.417700000112.4D441 E447D441-A443 PolarHBondContact O-N 3.47Å; D441-A443 VanDerWaalsContact O-N 3.08Å; D441-A443 WeakPolarHBondContact OD1-CB 3.35Å; D441-A443 PolarHBondContact OD1-N 2.9Å; A443-E447 WeakPolarHBondContact O-CB 3.49Å; A443-E447 PolarHBondContact O-N 3.34Å
444Q83.4Confident78Confident86 Ų86105.4 Ų105.440%0.40251%0.507SS..Hα-helixtrans-75.3-24.7175.7-62.6-169.420.800113.5D441 P442 R448D441-Q444 HydrophobicContact CB-CG 4.23Å; D441-Q444 WeakPolarHBondContact O-CA 3.44Å; D441-Q444 WeakPolarHBondContact O-CB 3.45Å; D441-Q444 PolarHBondContact O-N 2.9Å; P442-Q444 VanDerWaalsContact C-N 3.27Å; P442-Q444 PolarHBondContact O-N 3.46Å; Q444-R448 WeakPolarHBondContact O-CD 3.3Å; Q444-R448 WeakPolarHBondContact O-CG 3.28Å; Q444-R448 PolarHBondContact O-N 3.25Å
445I81.5Confident79.8Confident45 Ų4599 Ų9923%0.23149%0.488CS..Hα-helixtrans-70.5-53.3172.6-51.4176.2000108.1T437 L440 D441 P442 E447 R448 E449T437-I445 VanDerWaalsContact O-CD1 3.24Å; T437-I445 WeakPolarHBondContact O-CD1 3.49Å; L440-I445 HydrophobicContact CB-CG1 4.16Å; D441-I445 PolarHBondContact O-N 3.48Å; P442-I445 WeakPolarHBondContact O-CB 3.32Å; P442-I445 PolarHBondContact O-N 2.87Å; I445-E447 VanDerWaalsContact C-N 3.28Å; I445-E447 PolarHBondContact O-N 2.88Å; I445-R448 PolarHBondContact O-N 3.37Å; I445-R448 VanDerWaalsContact O-N 3.13Å; I445-E449 WeakPolarHBondContact O-CG 3.32Å; I445-E449 PolarHBondContact O-N 2.85Å
446E88.1Confident81.7Confident102 Ų10298.9 Ų98.948%0.47748%0.483SS..Hα-helixtrans-54.9-39.8174.7-79.7-167.6-137.800113P442 E449 R450P442-E446 PolarHBondContact O-N 3.34Å; E446-E449 PolarHBondContact O-N 3.46Å; E446-R450 WeakPolarHBondContact O-CB 3.33Å; E446-R450 WeakPolarHBondContact O-CG 3.34Å; E446-R450 PolarHBondContact O-N 2.97Å; E446-R450 IonicContact OE2-CZ 2.73Å; E446-R450 IonicContact OE2-NH1 3.56Å; E446-R450 PolarHBondContact OE2-NH1 2.86Å
447E88.4Confident83.8Confident93 Ų93100.7 Ų100.744%0.43549%0.491SS..Hα-helixtrans-68.4-38.6-179.7-147.8-112.5135.400111.5A443 I445 R451A443-E447 WeakPolarHBondContact O-CB 3.49Å; A443-E447 PolarHBondContact O-N 3.34Å; I445-E447 VanDerWaalsContact C-N 3.28Å; I445-E447 PolarHBondContact O-N 2.88Å; E447-R451 VanDerWaalsContact O-CG 3.26Å; E447-R451 WeakPolarHBondContact O-CG 3.29Å; E447-R451 PolarHBondContact O-N 3.31Å; E447-R451 IonicContact OE1-CZ 2.94Å; E447-R451 IonicContact OE1-NE 2.67Å; E447-R451 PolarHBondContact OE1-NE 3.03Å; E447-R451 IonicContact OE1-NH2 3.31Å; E447-R451 PolarHBondContact OE1-NH2 3Å; E447-R451 IonicContact OE2-CZ 3.98Å; E447-R451 IonicContact OE2-NE 3.2Å; E447-R451 IonicContact OE2-NH2 3.91Å; E447-R451 PolarHBondContact OE2-NH2 3.01Å
448R84.9Confident85.6Confident113 Ų113103.8 Ų103.843%0.42650%0.501SS..Hα-helixtrans-69.4-34.8173.5-69170.8-163.5-164.89.7111.9L440 Q444 I445 R451 R452L440-R448 VanDerWaalsContact CD1-CZ 3.47Å; Q444-R448 WeakPolarHBondContact O-CD 3.3Å; Q444-R448 WeakPolarHBondContact O-CG 3.28Å; Q444-R448 PolarHBondContact O-N 3.25Å; I445-R448 PolarHBondContact O-N 3.37Å; I445-R448 VanDerWaalsContact O-N 3.13Å; R448-R451 WeakPolarHBondContact O-CB 3.26Å; R448-R451 PolarHBondContact O-N 2.95Å; R448-R452 WeakPolarHBondContact O-CG 3.34Å; R448-R452 PolarHBondContact O-N 2.85Å
449E91.3Very high87.5Confident91 Ų91104.8 Ų104.843%0.42550%0.495SS..Hα-helixtrans-73.3-38.5176.1-71.1-177.8171.200111.8I445 E446 R451 R452 L453I445-E449 WeakPolarHBondContact O-CG 3.32Å; I445-E449 PolarHBondContact O-N 2.85Å; E446-E449 PolarHBondContact O-N 3.46Å; E449-R451 VanDerWaalsContact C-N 3.29Å; E449-R451 PolarHBondContact O-N 3.44Å; E449-R452 PolarHBondContact O-N 2.97Å; E449-R452 VanDerWaalsContact O-N 3.15Å; E449-L453 WeakPolarHBondContact O-CB 3.35Å; E449-L453 VanDerWaalsContact O-CG 3.31Å; E449-L453 WeakPolarHBondContact O-CG 3.45Å; E449-L453 PolarHBondContact O-N 2.99Å
450R94Very high89.2Confident144 Ų144107.1 Ų107.154%0.54350%0.495SS..Hα-helixtrans-58.6-38.2166.8-79.7-176.9166.995.4-0.3112.2E446 K454E446-R450 WeakPolarHBondContact O-CB 3.33Å; E446-R450 WeakPolarHBondContact O-CG 3.34Å; E446-R450 PolarHBondContact O-N 2.97Å; E446-R450 IonicContact OE2-CZ 2.73Å; E446-R450 IonicContact OE2-NH1 3.56Å; E446-R450 PolarHBondContact OE2-NH1 2.86Å; R450-K454 WeakPolarHBondContact O-CB 3.48Å; R450-K454 VanDerWaalsContact O-CG 3.3Å; R450-K454 WeakPolarHBondContact O-CG 3.4Å; R450-K454 PolarHBondContact O-N 2.78Å
451R93.5Very high90.7Very high145 Ų145107.9 Ų107.955%0.54751%0.507SS..Hα-helixtrans-66-41.4173.3-69.7169.2-171.9-15710.7112.2E447 R448 E449 Q455E447-R451 VanDerWaalsContact O-CG 3.26Å; E447-R451 WeakPolarHBondContact O-CG 3.29Å; E447-R451 PolarHBondContact O-N 3.31Å; E447-R451 IonicContact OE1-CZ 2.94Å; E447-R451 IonicContact OE1-NE 2.67Å; E447-R451 PolarHBondContact OE1-NE 3.03Å; E447-R451 IonicContact OE1-NH2 3.31Å; E447-R451 PolarHBondContact OE1-NH2 3Å; E447-R451 IonicContact OE2-CZ 3.98Å; E447-R451 IonicContact OE2-NE 3.2Å; E447-R451 IonicContact OE2-NH2 3.91Å; E447-R451 PolarHBondContact OE2-NH2 3.01Å; R448-R451 WeakPolarHBondContact O-CB 3.26Å; R448-R451 PolarHBondContact O-N 2.95Å; E449-R451 VanDerWaalsContact C-N 3.29Å; E449-R451 PolarHBondContact O-N 3.44Å; R451-Q455 WeakPolarHBondContact O-CG 3.44Å; R451-Q455 PolarHBondContact O-N 3.36Å
452R95Very high91.4Very high148 Ų148108 Ų10856%0.55851%0.506SS*.Hα-helixtrans-65.4-45.3174.2-73.1170.7173.5170.6-3.3112.6R448 E449 K454 Q455 L456R448-R452 WeakPolarHBondContact O-CG 3.34Å; R448-R452 PolarHBondContact O-N 2.85Å; E449-R452 PolarHBondContact O-N 2.97Å; E449-R452 VanDerWaalsContact O-N 3.15Å; R452-K454 PolarHBondContact O-N 3.22Å; R452-Q455 WeakPolarHBondContact O-CB 3.5Å; R452-Q455 PolarHBondContact O-N 2.98Å; R452-Q455 VanDerWaalsContact O-N 3.1Å; R452-L456 WeakPolarHBondContact O-CG 3.42Å; R452-L456 PolarHBondContact O-N 3.17Å
453L95.5Very high92Very high110 Ų110110 Ų11058%0.57651%0.508SS*.Hα-helixtrans-61.8-43178.6-73.2169.7000110.9E449 Q455 L456 E457E449-L453 WeakPolarHBondContact O-CB 3.35Å; E449-L453 VanDerWaalsContact O-CG 3.31Å; E449-L453 WeakPolarHBondContact O-CG 3.45Å; E449-L453 PolarHBondContact O-N 2.99Å; L453-Q455 VanDerWaalsContact C-N 3.29Å; L453-Q455 PolarHBondContact O-N 2.89Å; L453-L456 PolarHBondContact O-N 3.45Å; L453-E457 VanDerWaalsContact O-CB 3.26Å; L453-E457 WeakPolarHBondContact O-CB 3.14Å; L453-E457 PolarHBondContact O-N 3.5Å
454K96.4Very high92.7Very high141 Ų141109.8 Ų109.861%0.61351%0.506SS*.Hα-helixtrans-61.2-33.7172.6-75.5176.6177.8-175.70113.4R450 R452 Q458R450-K454 WeakPolarHBondContact O-CB 3.48Å; R450-K454 VanDerWaalsContact O-CG 3.3Å; R450-K454 WeakPolarHBondContact O-CG 3.4Å; R450-K454 PolarHBondContact O-N 2.78Å; R452-K454 PolarHBondContact O-N 3.22Å; K454-Q458 VanDerWaalsContact O-CB 3.31Å; K454-Q458 WeakPolarHBondContact O-CB 3.31Å; K454-Q458 PolarHBondContact O-N 2.81Å
455Q95.3Very high93.2Very high115 Ų115112 Ų11254%0.53752%0.517SS..Hα-helixtrans-71-39.9174-72.9172.9-18.900112.2R451 R452 L453 Q458 Q459R451-Q455 WeakPolarHBondContact O-CG 3.44Å; R451-Q455 PolarHBondContact O-N 3.36Å; R452-Q455 WeakPolarHBondContact O-CB 3.5Å; R452-Q455 PolarHBondContact O-N 2.98Å; R452-Q455 VanDerWaalsContact O-N 3.1Å; L453-Q455 VanDerWaalsContact C-N 3.29Å; L453-Q455 PolarHBondContact O-N 2.89Å; Q455-Q458 PolarHBondContact O-N 3.4Å; Q455-Q459 VanDerWaalsContact O-CG 3.27Å; Q455-Q459 WeakPolarHBondContact O-CG 3.47Å; Q455-Q459 PolarHBondContact O-N 3.23Å
456L96.2Very high93.8Very high84 Ų84116.1 Ų116.144%0.4454%0.537SS..Hα-helixtrans-68.6-37.2174.5-68.2170.6000112.1R452 L453 Q459 R460R452-L456 WeakPolarHBondContact O-CG 3.42Å; R452-L456 PolarHBondContact O-N 3.17Å; L453-L456 PolarHBondContact O-N 3.45Å; L456-Q459 PolarHBondContact O-N 2.9Å; L456-R460 WeakPolarHBondContact O-CB 3.29Å; L456-R460 VanDerWaalsContact O-CG 3.3Å; L456-R460 WeakPolarHBondContact O-CG 3.25Å; L456-R460 PolarHBondContact O-N 2.92Å
457E94.9Very high94.1Very high134 Ų134115.7 Ų115.763%0.62653%0.534SS*.Hα-helixtrans-63.5-45.1172.3-178.3176.9-145.900111.2L453 Q459 R460 A461L453-E457 VanDerWaalsContact O-CB 3.26Å; L453-E457 WeakPolarHBondContact O-CB 3.14Å; L453-E457 PolarHBondContact O-N 3.5Å; E457-Q459 PolarHBondContact O-N 3.4Å; E457-R460 PolarHBondContact O-N 3Å; E457-A461 WeakPolarHBondContact O-CB 3.34Å; E457-A461 PolarHBondContact O-N 2.85Å
458Q96.7Very high94.2Very high126 Ų126116.7 Ų116.759%0.58954%0.539SS*.Hα-helixtrans-61.1-41.4173.1-175-179.25.800112.1K454 Q455 A461 I462K454-Q458 VanDerWaalsContact O-CB 3.31Å; K454-Q458 WeakPolarHBondContact O-CB 3.31Å; K454-Q458 PolarHBondContact O-N 2.81Å; Q455-Q458 PolarHBondContact O-N 3.4Å; Q458-A461 PolarHBondContact O-N 2.77Å; Q458-I462 HydrophobicContact CG-CD1 4.25Å; Q458-I462 WeakPolarHBondContact O-CD1 3.45Å; Q458-I462 WeakPolarHBondContact O-CG1 3.37Å; Q458-I462 PolarHBondContact O-N 2.76Å; Q458-I462 VanDerWaalsContact O-N 3.1Å
459Q95.5Very high94.4Very high119 Ų119119.3 Ų119.356%0.55655%0.549SS*.Hα-helixtrans-63.1-47.3175.3-74.1168.513.700111.4Q455 L456 E457 A461 I462 E463Q455-Q459 VanDerWaalsContact O-CG 3.27Å; Q455-Q459 WeakPolarHBondContact O-CG 3.47Å; Q455-Q459 PolarHBondContact O-N 3.23Å; L456-Q459 PolarHBondContact O-N 2.9Å; E457-Q459 PolarHBondContact O-N 3.4Å; Q459-A461 VanDerWaalsContact C-N 3.31Å; Q459-A461 PolarHBondContact O-N 2.83Å; Q459-I462 PolarHBondContact O-N 3.28Å; Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 PolarHBondContact O-N 3.5Å
460R96.4Very high94.5Very high180 Ų180122 Ų12268%0.67956%0.556SS**Hα-helixtrans-60.9-36.6175.1-74.4172.5177.8-177.8-0.8112.8L456 E457 E463 A464L456-R460 WeakPolarHBondContact O-CB 3.29Å; L456-R460 VanDerWaalsContact O-CG 3.3Å; L456-R460 WeakPolarHBondContact O-CG 3.25Å; L456-R460 PolarHBondContact O-N 2.92Å; E457-R460 PolarHBondContact O-N 3Å; R460-E463 PolarHBondContact O-N 2.58Å; R460-A464 WeakPolarHBondContact O-CB 3.19Å; R460-A464 PolarHBondContact O-N 3.15Å
461A94.4Very high94.6Very high55 Ų55121.9 Ų121.946%0.45556%0.555SS.*Hα-helixtrans-66.7-39176.200000112.3E457 Q458 Q459 Q465E457-A461 WeakPolarHBondContact O-CB 3.34Å; E457-A461 PolarHBondContact O-N 2.85Å; Q458-A461 PolarHBondContact O-N 2.77Å; Q459-A461 VanDerWaalsContact C-N 3.31Å; Q459-A461 PolarHBondContact O-N 2.83Å; A461-Q465 WeakPolarHBondContact O-CG 3.5Å; A461-Q465 PolarHBondContact O-N 3.07Å
462I95.1Very high94.4Very high90 Ų90119.8 Ų119.846%0.46255%0.551SS.*Hα-helixtrans-67.3-44.9174.1-66.7162.8000110.5Q458 Q459 Q465 M466Q458-I462 HydrophobicContact CG-CD1 4.25Å; Q458-I462 WeakPolarHBondContact O-CD1 3.45Å; Q458-I462 WeakPolarHBondContact O-CG1 3.37Å; Q458-I462 PolarHBondContact O-N 2.76Å; Q458-I462 VanDerWaalsContact O-N 3.1Å; Q459-I462 PolarHBondContact O-N 3.28Å; I462-Q465 PolarHBondContact O-N 3.38Å; I462-M466 WeakPolarHBondContact O-CG 3.32Å; I462-M466 PolarHBondContact O-N 3.33Å
463E93.8Very high94.2Very high131 Ų131118.3 Ų118.361%0.61255%0.546SS*.Hα-helixtrans-60.4-48.4177.1-175.5168.7-145.100111.5Q459 R460 Q465 M466 E467Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 PolarHBondContact O-N 3.5Å; R460-E463 PolarHBondContact O-N 2.58Å; E463-Q465 PolarHBondContact O-N 2.82Å; E463-M466 PolarHBondContact O-N 2.97Å; E463-M466 VanDerWaalsContact O-N 3.12Å; E463-E467 PolarHBondContact O-N 2.83Å
464A95.4Very high94.2Very high54 Ų54117 Ų11745%0.44654%0.537SS..Hα-helixtrans-60.5-41.2176.300000112.7R460 M466 E467 E468R460-A464 WeakPolarHBondContact O-CB 3.19Å; R460-A464 PolarHBondContact O-N 3.15Å; A464-M466 VanDerWaalsContact C-N 3.34Å; A464-M466 PolarHBondContact O-N 3.44Å; A464-E467 PolarHBondContact O-N 2.94Å; A464-E468 WeakPolarHBondContact O-CB 3.28Å; A464-E468 PolarHBondContact O-N 2.87Å
465Q95.3Very high94.2Very high132 Ų132116 Ų11662%0.61754%0.537SS*.Hα-helixtrans-64.8-36.5173.9-79.9-169-15.500112.8A461 I462 E463 R469A461-Q465 WeakPolarHBondContact O-CG 3.5Å; A461-Q465 PolarHBondContact O-N 3.07Å; I462-Q465 PolarHBondContact O-N 3.38Å; E463-Q465 PolarHBondContact O-N 2.82Å; Q465-R469 VanDerWaalsContact O-CB 3.24Å; Q465-R469 WeakPolarHBondContact O-CB 3.41Å; Q465-R469 PolarHBondContact O-N 3.35Å; Q465-R469 VanDerWaalsContact O-N 3.13Å
466M92.9Very high94Very high132 Ų132117.1 Ų117.165%0.6554%0.543SS*.Hα-helixtrans-70.9-36.9175-69.3-144.6-60.800112.1I462 E463 A464 R470I462-M466 WeakPolarHBondContact O-CG 3.32Å; I462-M466 PolarHBondContact O-N 3.33Å; E463-M466 PolarHBondContact O-N 2.97Å; E463-M466 VanDerWaalsContact O-N 3.12Å; A464-M466 VanDerWaalsContact C-N 3.34Å; A464-M466 PolarHBondContact O-N 3.44Å; M466-R470 VanDerWaalsContact O-CB 3.31Å; M466-R470 WeakPolarHBondContact O-CB 3.42Å; M466-R470 PolarHBondContact O-N 3.38Å
467E94.3Very high93.9Very high92 Ų92119.3 Ų119.343%0.4355%0.551SS.*Hα-helixtrans-70.4-45.4176.6-154.8-156.8168.600111.9E463 A464 R469 R470 R471E463-E467 PolarHBondContact O-N 2.83Å; A464-E467 PolarHBondContact O-N 2.94Å; E467-R469 PolarHBondContact O-N 2.92Å; E467-R470 CarbonylContact O-C 3.56Å; E467-R470 WeakPolarHBondContact O-CA 3.28Å; E467-R470 WeakPolarHBondContact O-CB 3.43Å; E467-R470 PolarHBondContact O-N 2.83Å; E467-R471 VanDerWaalsContact CD-NH2 3.29Å; E467-R471 WeakPolarHBondContact O-CG 3.18Å; E467-R471 PolarHBondContact O-N 2.91Å; E467-R471 IonicContact OE1-CZ 3.84Å; E467-R471 IonicContact OE1-NE 2.58Å; E467-R471 PolarHBondContact OE1-NE 3.34Å; E467-R471 IonicContact OE1-NH2 2.74Å; E467-R471 PolarHBondContact OE1-NH2 3.08Å; E467-R471 IonicContact OE2-CZ 3.99Å; E467-R471 IonicContact OE2-NE 3.58Å; E467-R471 IonicContact OE2-NH2 2.83Å; E467-R471 PolarHBondContact OE2-NH2 3.17Å
468E92.5Very high93.9Very high115 Ų115115.2 Ų115.254%0.53754%0.54SS..Hα-helixtrans-58.2-49.1175.5-167.9-163.3159.300110.4A464 R470 R471 Q472A464-E468 WeakPolarHBondContact O-CB 3.28Å; A464-E468 PolarHBondContact O-N 2.87Å; E468-R470 PolarHBondContact O-N 2.87Å; E468-R471 PolarHBondContact O-N 3.39Å; E468-Q472 VanDerWaalsContact O-CG 3.3Å; E468-Q472 WeakPolarHBondContact O-CG 3.25Å; E468-Q472 PolarHBondContact O-N 2.88Å; E468-Q472 PolarHBondContact OE1-NE2 2.79Å
469R87.8Confident93.5Very high168 Ų168114.7 Ų114.763%0.63454%0.539SS*.Hα-helixtrans-64.7-23.8176.2-167.8176.3-179.2-167.20.8112.5Q465 E467 R473Q465-R469 VanDerWaalsContact O-CB 3.24Å; Q465-R469 WeakPolarHBondContact O-CB 3.41Å; Q465-R469 PolarHBondContact O-N 3.35Å; Q465-R469 VanDerWaalsContact O-N 3.13Å; E467-R469 PolarHBondContact O-N 2.92Å; R469-R473 PolarHBondContact O-NE 3.36Å; R469-R473 PolarHBondContact O-NH2 3.19Å; R469-R473 VanDerWaalsContact O-NH2 3.17Å
470R94.1Very high93.4Very high148 Ų148117 Ų11756%0.55854%0.542SS*.Hα-helixtrans-74-52.2171.3178.1-178.9169-173.8-8.5110.6M466 E467 E468 Q472 R473 E474M466-R470 VanDerWaalsContact O-CB 3.31Å; M466-R470 WeakPolarHBondContact O-CB 3.42Å; M466-R470 PolarHBondContact O-N 3.38Å; E467-R470 CarbonylContact O-C 3.56Å; E467-R470 WeakPolarHBondContact O-CA 3.28Å; E467-R470 WeakPolarHBondContact O-CB 3.43Å; E467-R470 PolarHBondContact O-N 2.83Å; E468-R470 PolarHBondContact O-N 2.87Å; R470-Q472 PolarHBondContact O-N 3.44Å; R470-R473 WeakPolarHBondContact O-CB 3.21Å; R470-R473 PolarHBondContact O-N 2.65Å; R470-E474 HydrophobicContact CG-CG 4.42Å; R470-E474 IonicContact CZ-OE1 3.37Å; R470-E474 IonicContact NE-OE1 3.63Å; R470-E474 PolarHBondContact NE-OE1 2.88Å; R470-E474 IonicContact NE-OE2 2.88Å; R470-E474 IonicContact NH2-OE1 2.64Å; R470-E474 PolarHBondContact NH2-OE1 3.27Å; R470-E474 PolarHBondContact O-N 2.97Å
471R96.6Very high93Very high141 Ų141114.2 Ų114.253%0.53254%0.535SS..Hα-helixtrans-57.3-37.3176.9-66.3179.3-173.4-169.15.2112E467 E468 R473 E474 L475E467-R471 VanDerWaalsContact CD-NH2 3.29Å; E467-R471 WeakPolarHBondContact O-CG 3.18Å; E467-R471 PolarHBondContact O-N 2.91Å; E467-R471 IonicContact OE1-CZ 3.84Å; E467-R471 IonicContact OE1-NE 2.58Å; E467-R471 PolarHBondContact OE1-NE 3.34Å; E467-R471 IonicContact OE1-NH2 2.74Å; E467-R471 PolarHBondContact OE1-NH2 3.08Å; E467-R471 IonicContact OE2-CZ 3.99Å; E467-R471 IonicContact OE2-NE 3.58Å; E467-R471 IonicContact OE2-NH2 2.83Å; E467-R471 PolarHBondContact OE2-NH2 3.17Å; E468-R471 PolarHBondContact O-N 3.39Å; R471-R473 PolarHBondContact O-N 3.31Å; R471-E474 PolarHBondContact O-N 2.97Å; R471-L475 WeakPolarHBondContact O-CB 3.42Å; R471-L475 VanDerWaalsContact O-CG 3.28Å; R471-L475 WeakPolarHBondContact O-CG 3.36Å; R471-L475 PolarHBondContact O-N 3.21Å
472Q88.3Confident92.9Very high101 Ų101119.1 Ų119.147%0.47254%0.542SS..Hα-helixtrans-58.8-43.2173.1-74171.58.300112.5E468 R470 L475 E476E468-Q472 VanDerWaalsContact O-CG 3.3Å; E468-Q472 WeakPolarHBondContact O-CG 3.25Å; E468-Q472 PolarHBondContact O-N 2.88Å; E468-Q472 PolarHBondContact OE1-NE2 2.79Å; R470-Q472 PolarHBondContact O-N 3.44Å; Q472-L475 PolarHBondContact O-N 2.88Å; Q472-E476 WeakPolarHBondContact O-CB 3.49Å; Q472-E476 PolarHBondContact O-N 2.95Å
473R91.3Very high92.7Very high116 Ų116121.3 Ų121.344%0.43855%0.55SS.*Hα-helixtrans-70.4-41.4175.8-77.4168.7-72.8-175.42.7112.3R469 R470 R471 L475 E476 E477R469-R473 PolarHBondContact O-NE 3.36Å; R469-R473 PolarHBondContact O-NH2 3.19Å; R469-R473 VanDerWaalsContact O-NH2 3.17Å; R470-R473 WeakPolarHBondContact O-CB 3.21Å; R470-R473 PolarHBondContact O-N 2.65Å; R471-R473 PolarHBondContact O-N 3.31Å; R473-L475 PolarHBondContact O-N 2.84Å; R473-E476 PolarHBondContact O-N 3.36Å; R473-E477 WeakPolarHBondContact O-CB 3.1Å; R473-E477 WeakPolarHBondContact O-CG 3.33Å; R473-E477 PolarHBondContact O-N 2.99Å
474E95.4Very high92.5Very high84 Ų84120.4 Ų120.439%0.39355%0.546SS..Hα-helixtrans-63.1-32.6176.9-69.4170159.700111.4R470 R471 A478R470-E474 HydrophobicContact CG-CG 4.42Å; R470-E474 IonicContact CZ-OE1 3.37Å; R470-E474 IonicContact NE-OE1 3.63Å; R470-E474 PolarHBondContact NE-OE1 2.88Å; R470-E474 IonicContact NE-OE2 2.88Å; R470-E474 IonicContact NH2-OE1 2.64Å; R470-E474 PolarHBondContact NH2-OE1 3.27Å; R470-E474 PolarHBondContact O-N 2.97Å; R471-E474 PolarHBondContact O-N 2.97Å; E474-A478 WeakPolarHBondContact O-CB 3.45Å; E474-A478 PolarHBondContact O-N 3.47Å
475L95.3Very high92.3Very high119 Ų119121.5 Ų121.562%0.62354%0.542SS*.Hα-helixtrans-73.6-40.4171.1-71.5169.4000113.1R471 Q472 R473 A478 M479R471-L475 WeakPolarHBondContact O-CB 3.42Å; R471-L475 VanDerWaalsContact O-CG 3.28Å; R471-L475 WeakPolarHBondContact O-CG 3.36Å; R471-L475 PolarHBondContact O-N 3.21Å; Q472-L475 PolarHBondContact O-N 2.88Å; R473-L475 PolarHBondContact O-N 2.84Å; L475-A478 PolarHBondContact O-N 2.83Å; L475-M479 WeakPolarHBondContact O-CB 3.46Å; L475-M479 WeakPolarHBondContact O-CG 3.33Å; L475-M479 PolarHBondContact O-N 3.24Å
476E92.1Very high92.1Very high138 Ų138120.8 Ų120.865%0.64554%0.539SS*.Hα-helixtrans-62.2-46174.8-173.8178.817500111.2Q472 R473 M479 R480Q472-E476 WeakPolarHBondContact O-CB 3.49Å; Q472-E476 PolarHBondContact O-N 2.95Å; R473-E476 PolarHBondContact O-N 3.36Å; E476-M479 PolarHBondContact O-N 3.35Å; E476-R480 WeakPolarHBondContact O-CB 3.24Å; E476-R480 PolarHBondContact O-N 3.39Å
477E93.9Very high91.9Very high130 Ų130120.7 Ų120.761%0.60754%0.536SS*.Hα-helixtrans-64.8-40175-71.4172.3-168.100111.9R473 K481R473-E477 WeakPolarHBondContact O-CB 3.1Å; R473-E477 WeakPolarHBondContact O-CG 3.33Å; R473-E477 PolarHBondContact O-N 2.99Å; E477-K481 VanDerWaalsContact O-CB 3.28Å; E477-K481 WeakPolarHBondContact O-CB 3.3Å; E477-K481 PolarHBondContact O-N 2.84Å
478A94.9Very high91.9Very high48 Ų48122.9 Ų122.940%0.39755%0.547SS..Hα-helixtrans-68.4-35.6175.800000113.4E474 L475 R482E474-A478 WeakPolarHBondContact O-CB 3.45Å; E474-A478 PolarHBondContact O-N 3.47Å; L475-A478 PolarHBondContact O-N 2.83Å; A478-R482 PolarHBondContact O-N 3.23Å
479M87.5Confident92Very high116 Ų116125.8 Ų125.857%0.57155%0.553SS**Hα-helixtrans-68.7-46.9173.4-76-59.7-58.600111.2L475 E476 K481 R482 E483L475-M479 WeakPolarHBondContact O-CB 3.46Å; L475-M479 WeakPolarHBondContact O-CG 3.33Å; L475-M479 PolarHBondContact O-N 3.24Å; E476-M479 PolarHBondContact O-N 3.35Å; M479-K481 VanDerWaalsContact C-N 3.29Å; M479-K481 PolarHBondContact O-N 3.21Å; M479-R482 WeakPolarHBondContact O-CB 3.42Å; M479-R482 PolarHBondContact O-N 2.88Å; M479-R482 VanDerWaalsContact O-N 3.16Å; M479-E483 PolarHBondContact O-N 2.84Å; M479-E483 VanDerWaalsContact O-N 3.1Å
480R93.7Very high92.4Very high167 Ų167126.8 Ų126.863%0.6356%0.557SS**Hα-helixtrans-58.3-41.1174.3179.5-179.3165.8-171.8-5.3112E476 R482 E483 E484E476-R480 WeakPolarHBondContact O-CB 3.24Å; E476-R480 PolarHBondContact O-N 3.39Å; R480-R482 VanDerWaalsContact C-N 3.3Å; R480-R482 PolarHBondContact O-N 3.15Å; R480-E483 WeakPolarHBondContact O-CB 3.29Å; R480-E483 PolarHBondContact O-N 3.36Å; R480-E484 WeakPolarHBondContact O-CB 3.3Å; R480-E484 PolarHBondContact O-N 3.06Å
481K88.4Confident92.4Very high121 Ų121122 Ų12253%0.52654%0.544SS..Hα-helixtrans-64.2-33.3178.4-171.5173.8-172.2-67.50112.7E477 M479 E485E477-K481 VanDerWaalsContact O-CB 3.28Å; E477-K481 WeakPolarHBondContact O-CB 3.3Å; E477-K481 PolarHBondContact O-N 2.84Å; M479-K481 VanDerWaalsContact C-N 3.29Å; M479-K481 PolarHBondContact O-N 3.21Å; K481-E485 IonicContact NZ-OE1 2.9Å; K481-E485 PolarHBondContact NZ-OE1 3.26Å; K481-E485 WeakPolarHBondContact O-CB 3.41Å; K481-E485 VanDerWaalsContact O-CG 3.28Å; K481-E485 WeakPolarHBondContact O-CG 3.38Å; K481-E485 PolarHBondContact O-N 3.15Å
482R92.5Very high92.3Very high159 Ų159117.8 Ų117.860%0.654%0.539SS*.Hα-helixtrans-69.3-40.8172.5-73.8174.4173.5172.4-2.7112.3A478 M479 R480 E484 E485 E486A478-R482 PolarHBondContact O-N 3.23Å; M479-R482 WeakPolarHBondContact O-CB 3.42Å; M479-R482 PolarHBondContact O-N 2.88Å; M479-R482 VanDerWaalsContact O-N 3.16Å; R480-R482 VanDerWaalsContact C-N 3.3Å; R480-R482 PolarHBondContact O-N 3.15Å; R482-E484 VanDerWaalsContact C-N 3.32Å; R482-E485 PolarHBondContact O-N 3.49Å; R482-E486 WeakPolarHBondContact O-CG 3.31Å; R482-E486 PolarHBondContact O-N 2.84Å
483E90.1Very high92.6Very high136 Ų136117.8 Ų117.864%0.63654%0.54SS*.Hα-helixtrans-61.2-42.7173.8-172.2172.5-154.900111M479 R480 E486 E487M479-E483 PolarHBondContact O-N 2.84Å; M479-E483 VanDerWaalsContact O-N 3.1Å; R480-E483 WeakPolarHBondContact O-CB 3.29Å; R480-E483 PolarHBondContact O-N 3.36Å; E483-E486 PolarHBondContact O-N 3.49Å; E483-E487 WeakPolarHBondContact O-CB 3Å; E483-E487 PolarHBondContact O-N 3.49Å
484E89.5Confident92.7Very high112 Ų112117.8 Ų117.852%0.52355%0.545SS..Hα-helixtrans-65.2-39.1175.1-167.6166.2-179.600112.4R480 R482 E487 E488R480-E484 WeakPolarHBondContact O-CB 3.3Å; R480-E484 PolarHBondContact O-N 3.06Å; R482-E484 VanDerWaalsContact C-N 3.32Å; E484-E487 PolarHBondContact O-N 3.03Å; E484-E488 VanDerWaalsContact O-CB 3.3Å; E484-E488 WeakPolarHBondContact O-CB 3.4Å; E484-E488 PolarHBondContact O-N 3.15Å
485E91.3Very high92.7Very high76 Ų76122.1 Ų122.136%0.35556%0.558SS.*Hα-helixtrans-66.9-31.4172.2-77169.2-158.700113.2K481 R482 R489K481-E485 IonicContact NZ-OE1 2.9Å; K481-E485 PolarHBondContact NZ-OE1 3.26Å; K481-E485 WeakPolarHBondContact O-CB 3.41Å; K481-E485 VanDerWaalsContact O-CG 3.28Å; K481-E485 WeakPolarHBondContact O-CG 3.38Å; K481-E485 PolarHBondContact O-N 3.15Å; R482-E485 PolarHBondContact O-N 3.49Å; E485-R489 WeakPolarHBondContact O-CG 3.4Å; E485-R489 PolarHBondContact O-N 3.41Å
486E92.1Very high92.7Very high118 Ų118120 Ų12055%0.55154%0.544SS*.Hα-helixtrans-78.2-36.9174.3-75.5-175.2-155.400112.4R482 E483 R489 R490R482-E486 WeakPolarHBondContact O-CG 3.31Å; R482-E486 PolarHBondContact O-N 2.84Å; E483-E486 PolarHBondContact O-N 3.49Å; E486-R489 PolarHBondContact O-N 2.82Å; E486-R490 WeakPolarHBondContact O-CG 3.16Å; E486-R490 PolarHBondContact O-N 2.88Å; E486-R490 VanDerWaalsContact O-N 3.12Å
487E88.9Confident92.9Very high129 Ų129119.6 Ų119.660%0.60354%0.54SS*.Hα-helixtrans-66.6-44.5172-172.7170.5-160.900111.1E483 E484 R489 R490 V491E483-E487 WeakPolarHBondContact O-CB 3Å; E483-E487 PolarHBondContact O-N 3.49Å; E484-E487 PolarHBondContact O-N 3.03Å; E487-R489 VanDerWaalsContact C-N 3.28Å; E487-R489 PolarHBondContact O-N 3.15Å; E487-R490 WeakPolarHBondContact O-CB 3.29Å; E487-R490 PolarHBondContact O-N 3.19Å; E487-V491 HydrophobicContact CG-CG2 4.46Å; E487-V491 WeakPolarHBondContact O-CG2 3.35Å; E487-V491 PolarHBondContact O-N 3.36Å
488E93.3Very high93Very high139 Ų139117.9 Ų117.965%0.6554%0.535SS*.Hα-helixtrans-57-41.3174.2-177.1174.1-146.400111.3E484 R490 V491 A492E484-E488 VanDerWaalsContact O-CB 3.3Å; E484-E488 WeakPolarHBondContact O-CB 3.4Å; E484-E488 PolarHBondContact O-N 3.15Å; E488-R490 PolarHBondContact O-N 2.87Å; E488-V491 PolarHBondContact O-N 2.83Å; E488-A492 VanDerWaalsContact O-CB 3.26Å; E488-A492 WeakPolarHBondContact O-CB 3.3Å; E488-A492 PolarHBondContact O-N 3.03Å
489R95.4Very high93Very high176 Ų176120.9 Ų120.966%0.66454%0.541SS*.Hα-helixtrans-62.6-40.3173.6-79.1174.4177.7162.23.8113E485 E486 E487 A492 M493E485-R489 WeakPolarHBondContact O-CG 3.4Å; E485-R489 PolarHBondContact O-N 3.41Å; E486-R489 PolarHBondContact O-N 2.82Å; E487-R489 VanDerWaalsContact C-N 3.28Å; E487-R489 PolarHBondContact O-N 3.15Å; R489-A492 PolarHBondContact O-N 3.42Å; R489-M493 WeakPolarHBondContact O-CG 3.44Å; R489-M493 PolarHBondContact O-N 2.84Å
490R96.4Very high93.4Very high189 Ų189120.3 Ų120.371%0.71354%0.535SS*.Hα-helixtrans-64.4-46.8175.7-69.6178.8-173-158.44.7111.2E486 E487 E488 A492 M493 E494E486-R490 WeakPolarHBondContact O-CG 3.16Å; E486-R490 PolarHBondContact O-N 2.88Å; E486-R490 VanDerWaalsContact O-N 3.12Å; E487-R490 WeakPolarHBondContact O-CB 3.29Å; E487-R490 PolarHBondContact O-N 3.19Å; E488-R490 PolarHBondContact O-N 2.87Å; R490-A492 VanDerWaalsContact C-N 3.31Å; R490-A492 PolarHBondContact O-N 3.47Å; R490-M493 PolarHBondContact O-N 3.01Å; R490-E494 PolarHBondContact O-N 3.21Å
491V92.7Very high93.5Very high48 Ų48118.3 Ų118.329%0.29153%0.533SS..Hα-helixtrans-64.7-34.4177.71740000111.4E487 E488 E494 R495E487-V491 HydrophobicContact CG-CG2 4.46Å; E487-V491 WeakPolarHBondContact O-CG2 3.35Å; E487-V491 PolarHBondContact O-N 3.36Å; E488-V491 PolarHBondContact O-N 2.83Å; V491-E494 PolarHBondContact O-N 3.02Å; V491-R495 HydrophobicContact CG1-CG 4.43Å; V491-R495 WeakPolarHBondContact O-CB 3.49Å; V491-R495 VanDerWaalsContact O-CG 3.26Å; V491-R495 WeakPolarHBondContact O-CG 3.25Å; V491-R495 PolarHBondContact O-N 3.32Å
492A96.3Very high93.8Very high51 Ų51119.5 Ų119.542%0.42154%0.535SS..Hα-helixtrans-64.5-46.617300000111.8E488 R489 R490 E494 R495 E496E488-A492 VanDerWaalsContact O-CB 3.26Å; E488-A492 WeakPolarHBondContact O-CB 3.3Å; E488-A492 PolarHBondContact O-N 3.03Å; R489-A492 PolarHBondContact O-N 3.42Å; R490-A492 VanDerWaalsContact C-N 3.31Å; R490-A492 PolarHBondContact O-N 3.47Å; A492-E494 VanDerWaalsContact C-N 3.26Å; A492-E494 PolarHBondContact O-N 3.48Å; A492-R495 PolarHBondContact O-N 3.37Å; A492-E496 WeakPolarHBondContact O-CB 3.34Å; A492-E496 PolarHBondContact O-N 2.76Å
493M93.9Very high94Very high101 Ų101116 Ų11650%0.49853%0.526SS..Hα-helixtrans-64.5-28.9174.6-65.4-57.1-50.600112.8R489 R490 E496 K497R489-M493 WeakPolarHBondContact O-CG 3.44Å; R489-M493 PolarHBondContact O-N 2.84Å; R490-M493 PolarHBondContact O-N 3.01Å; M493-E496 VanDerWaalsContact CE-OE2 3.22Å; M493-E496 WeakPolarHBondContact CE-OE2 3.36Å; M493-K497 WeakPolarHBondContact O-CD 3.28Å; M493-K497 VanDerWaalsContact O-CG 3.23Å; M493-K497 WeakPolarHBondContact O-CG 3.44Å; M493-K497 PolarHBondContact O-N 2.96Å
494E93.6Very high94.3Very high117 Ų117115 Ų11555%0.54752%0.524SS..Hα-helixtrans-72.3-47.2173.4-172.2-179.8169.200111.6R490 V491 A492 E496 K497 L498R490-E494 PolarHBondContact O-N 3.21Å; V491-E494 PolarHBondContact O-N 3.02Å; A492-E494 VanDerWaalsContact C-N 3.26Å; A492-E494 PolarHBondContact O-N 3.48Å; E494-E496 VanDerWaalsContact C-N 3.31Å; E494-E496 PolarHBondContact O-N 3.29Å; E494-K497 WeakPolarHBondContact O-CB 3.49Å; E494-K497 PolarHBondContact O-N 2.67Å; E494-K497 VanDerWaalsContact O-N 3.16Å; E494-L498 HydrophobicContact CG-CD1 4.27Å; E494-L498 WeakPolarHBondContact O-CG 3.37Å; E494-L498 PolarHBondContact O-N 3.17Å
495R94.9Very high94.5Very high175 Ų175114 Ų11466%0.6652%0.52SS*.Hα-helixtrans-58-42.2173.4-73.6173.2-177.8-172.84.4111.8V491 A492 K497 L498 Q499V491-R495 HydrophobicContact CG1-CG 4.43Å; V491-R495 WeakPolarHBondContact O-CB 3.49Å; V491-R495 VanDerWaalsContact O-CG 3.26Å; V491-R495 WeakPolarHBondContact O-CG 3.25Å; V491-R495 PolarHBondContact O-N 3.32Å; A492-R495 PolarHBondContact O-N 3.37Å; R495-K497 PolarHBondContact O-N 2.77Å; R495-L498 PolarHBondContact O-N 2.78Å; R495-Q499 WeakPolarHBondContact O-CB 3.46Å; R495-Q499 PolarHBondContact O-N 3.25Å
496E95.2Very high94.7Very high73 Ų73112.9 Ų112.934%0.34152%0.515SS..Hα-helixtrans-62.6-40.5176.1-166.5-159.7167.600111.8A492 M493 E494 Q499 K500A492-E496 WeakPolarHBondContact O-CB 3.34Å; A492-E496 PolarHBondContact O-N 2.76Å; M493-E496 VanDerWaalsContact CE-OE2 3.22Å; M493-E496 WeakPolarHBondContact CE-OE2 3.36Å; E494-E496 VanDerWaalsContact C-N 3.31Å; E494-E496 PolarHBondContact O-N 3.29Å; E496-Q499 PolarHBondContact O-N 2.98Å; E496-K500 HydrophobicContact CG-CD 4.36Å; E496-K500 WeakPolarHBondContact O-CB 3.36Å; E496-K500 WeakPolarHBondContact O-CG 3.49Å; E496-K500 PolarHBondContact O-N 3.12Å; E496-K500 VanDerWaalsContact OE1-CE 3.31Å; E496-K500 WeakPolarHBondContact OE1-CE 3.44Å; E496-K500 IonicContact OE1-NZ 3.77Å; E496-K500 PolarHBondContact OE1-NZ 3.14Å
497K96.7Very high94.9Very high130 Ų130112.3 Ų112.357%0.56552%0.516SS*.Hα-helixtrans-65.3-44175.1-73.8166.1-174.71760111.9M493 E494 R495 K500 Q501M493-K497 WeakPolarHBondContact O-CD 3.28Å; M493-K497 VanDerWaalsContact O-CG 3.23Å; M493-K497 WeakPolarHBondContact O-CG 3.44Å; M493-K497 PolarHBondContact O-N 2.96Å; E494-K497 WeakPolarHBondContact O-CB 3.49Å; E494-K497 PolarHBondContact O-N 2.67Å; E494-K497 VanDerWaalsContact O-N 3.16Å; R495-K497 PolarHBondContact O-N 2.77Å; K497-K500 PolarHBondContact O-N 3.01Å; K497-Q501 WeakPolarHBondContact O-CG 3.16Å; K497-Q501 PolarHBondContact O-N 3.13Å
498L95.7Very high95.1Very high95 Ų95112.5 Ų112.550%0.49751%0.514SS..Hα-helixtrans-64.4-41.4176.6-71.8166.7000111.5E494 R495 Q501 Y502E494-L498 HydrophobicContact CG-CD1 4.27Å; E494-L498 WeakPolarHBondContact O-CG 3.37Å; E494-L498 PolarHBondContact O-N 3.17Å; R495-L498 PolarHBondContact O-N 2.78Å; L498-Q501 PolarHBondContact O-N 3.43Å; L498-Y502 PolarHBondContact O-N 2.68Å
499Q94.4Very high95Very high111 Ų111110.6 Ų110.652%0.51950%0.504SS..Hα-helixtrans-60.6-47.9173.5-178.9-178.5-24.700111.1R495 E496 Q501 Y502 E503R495-Q499 WeakPolarHBondContact O-CB 3.46Å; R495-Q499 PolarHBondContact O-N 3.25Å; E496-Q499 PolarHBondContact O-N 2.98Å; Q499-Q501 VanDerWaalsContact C-N 3.31Å; Q499-Q501 PolarHBondContact O-N 3.37Å; Q499-Y502 WeakPolarHBondContact O-CB 3.22Å; Q499-Y502 PolarHBondContact O-N 2.82Å; Q499-Y502 VanDerWaalsContact O-N 3.13Å; Q499-E503 HydrophobicContact CG-CG 4.44Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.32Å; Q499-E503 PolarHBondContact NE2-OE1 3.49Å; Q499-E503 WeakPolarHBondContact O-CG 3.19Å; Q499-E503 PolarHBondContact O-N 3.01Å
500K97Very high94.9Very high103 Ų103108.6 Ų108.645%0.44850%0.5SS..Hα-helixtrans-62.1-36.6176.4-76.8171.4172.9174.90112.8E496 K497 L504E496-K500 HydrophobicContact CG-CD 4.36Å; E496-K500 WeakPolarHBondContact O-CB 3.36Å; E496-K500 WeakPolarHBondContact O-CG 3.49Å; E496-K500 PolarHBondContact O-N 3.12Å; E496-K500 VanDerWaalsContact OE1-CE 3.31Å; E496-K500 WeakPolarHBondContact OE1-CE 3.44Å; E496-K500 IonicContact OE1-NZ 3.77Å; E496-K500 PolarHBondContact OE1-NZ 3.14Å; K497-K500 PolarHBondContact O-N 3.01Å; K500-L504 WeakPolarHBondContact O-CB 3.33Å; K500-L504 WeakPolarHBondContact O-CD1 3.39Å; K500-L504 WeakPolarHBondContact O-CG 3.48Å; K500-L504 PolarHBondContact O-N 2.97Å
501Q95Very high94.6Very high126 Ų126105.6 Ų105.659%0.58949%0.494SS*.Hα-helixtrans-63.2-44172.6-76174.1-8.200111.6K497 L498 Q499 L504 E505K497-Q501 WeakPolarHBondContact O-CG 3.16Å; K497-Q501 PolarHBondContact O-N 3.13Å; L498-Q501 PolarHBondContact O-N 3.43Å; Q499-Q501 VanDerWaalsContact C-N 3.31Å; Q499-Q501 PolarHBondContact O-N 3.37Å; Q501-L504 PolarHBondContact O-N 3.06Å; Q501-E505 WeakPolarHBondContact O-CB 3.44Å; Q501-E505 PolarHBondContact O-N 2.83Å
502Y95.4Very high94.4Very high145 Ų145109.8 Ų109.857%0.56951%0.509SS*.Hα-helixtrans-64.6-42.8176.3178.3-115000112.6L498 Q499 E505 I506L498-Y502 PolarHBondContact O-N 2.68Å; Q499-Y502 WeakPolarHBondContact O-CB 3.22Å; Q499-Y502 PolarHBondContact O-N 2.82Å; Q499-Y502 VanDerWaalsContact O-N 3.13Å; Y502-E505 PolarHBondContact O-N 2.77Å; Y502-I506 HydrophobicContact CD1-CD1 3.84Å; Y502-I506 HydrophobicContact CD2-CD1 4.48Å; Y502-I506 HydrophobicContact CE1-CD1 3.47Å; Y502-I506 VanDerWaalsContact CE1-CD1 3.47Å; Y502-I506 HydrophobicContact CE2-CD1 4.16Å; Y502-I506 HydrophobicContact CE2-CG1 4.38Å; Y502-I506 HydrophobicContact CG-CD1 4.34Å; Y502-I506 WeakPolarHBondContact O-CG1 3.41Å; Y502-I506 PolarHBondContact O-N 3.33Å
503E96.6Very high94.1Very high86 Ų86112.3 Ų112.340%0.40251%0.514SS..Hα-helixtrans-61.1-44.8174.4-72.4168.2-178.400111.9Q499 E505 I506 L507Q499-E503 HydrophobicContact CG-CG 4.44Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.32Å; Q499-E503 PolarHBondContact NE2-OE1 3.49Å; Q499-E503 WeakPolarHBondContact O-CG 3.19Å; Q499-E503 PolarHBondContact O-N 3.01Å; E503-E505 VanDerWaalsContact C-N 3.34Å; E503-I506 PolarHBondContact O-N 3.47Å; E503-L507 WeakPolarHBondContact O-CG 3.34Å; E503-L507 PolarHBondContact O-N 3Å
504L95.8Very high93.7Very high114 Ų114113 Ų11360%0.59752%0.519SS*.Hα-helixtrans-64.9-36.5174.2-72.2169.3000112.3K500 Q501 L507 K508K500-L504 WeakPolarHBondContact O-CB 3.33Å; K500-L504 WeakPolarHBondContact O-CD1 3.39Å; K500-L504 WeakPolarHBondContact O-CG 3.48Å; K500-L504 PolarHBondContact O-N 2.97Å; Q501-L504 PolarHBondContact O-N 3.06Å; L504-L507 PolarHBondContact O-N 3.44Å; L504-K508 WeakPolarHBondContact O-CB 3.37Å; L504-K508 PolarHBondContact O-N 3.09Å
505E93.4Very high93.2Very high92 Ų92110.6 Ų110.643%0.4351%0.512SS..Hα-helixtrans-68.3-38.5175.5-153.4-154.1170.600111.7Q501 Y502 E503 K508 K509Q501-E505 WeakPolarHBondContact O-CB 3.44Å; Q501-E505 PolarHBondContact O-N 2.83Å; Y502-E505 PolarHBondContact O-N 2.77Å; E503-E505 VanDerWaalsContact C-N 3.34Å; E505-K508 PolarHBondContact O-N 3.45Å; E505-K509 VanDerWaalsContact CD-CE 3.45Å; E505-K509 HydrophobicContact CG-CD 4.38Å; E505-K509 WeakPolarHBondContact O-CB 3.36Å; E505-K509 WeakPolarHBondContact O-CD 3.44Å; E505-K509 VanDerWaalsContact O-CG 3.26Å; E505-K509 WeakPolarHBondContact O-CG 3.37Å; E505-K509 PolarHBondContact O-N 3.32Å; E505-K509 WeakPolarHBondContact OE1-CE 3.27Å; E505-K509 IonicContact OE1-NZ 2.79Å; E505-K509 PolarHBondContact OE1-NZ 2.87Å; E505-K509 IonicContact OE2-NZ 2.65Å; E505-K509 PolarHBondContact OE2-NZ 2.67Å
506I96.8Very high92.6Very high52 Ų52107.8 Ų107.827%0.26751%0.507SS..Hα-helixtrans-59.8-46.7171.4-73.3163.7000110.6Y502 E503 K509 K510Y502-I506 HydrophobicContact CD1-CD1 3.84Å; Y502-I506 HydrophobicContact CD2-CD1 4.48Å; Y502-I506 HydrophobicContact CE1-CD1 3.47Å; Y502-I506 VanDerWaalsContact CE1-CD1 3.47Å; Y502-I506 HydrophobicContact CE2-CD1 4.16Å; Y502-I506 HydrophobicContact CE2-CG1 4.38Å; Y502-I506 HydrophobicContact CG-CD1 4.34Å; Y502-I506 WeakPolarHBondContact O-CG1 3.41Å; Y502-I506 PolarHBondContact O-N 3.33Å; E503-I506 PolarHBondContact O-N 3.47Å; I506-K509 PolarHBondContact O-N 2.86Å; I506-K510 HydrophobicContact CG2-CD 4.1Å; I506-K510 WeakPolarHBondContact O-CG 3.44Å; I506-K510 PolarHBondContact O-N 2.79Å
507L95.2Very high91.6Very high107 Ų107111 Ų11156%0.5653%0.526SS*.Hα-helixtrans-62-45178-70.1173000111.2E503 L504 K509 K510 E511E503-L507 WeakPolarHBondContact O-CG 3.34Å; E503-L507 PolarHBondContact O-N 3Å; L504-L507 PolarHBondContact O-N 3.44Å; L507-K509 VanDerWaalsContact C-N 3.34Å; L507-K509 PolarHBondContact O-N 2.94Å; L507-K510 PolarHBondContact O-N 2.73Å; L507-E511 WeakPolarHBondContact O-CB 3.47Å; L507-E511 PolarHBondContact O-N 2.99Å
508K93.6Very high90.3Very high132 Ų132112.2 Ų112.257%0.57453%0.534SS*.Hα-helixtrans-66-32.4177-168170.5-172.7171.60113.3L504 E505 K512L504-K508 WeakPolarHBondContact O-CB 3.37Å; L504-K508 PolarHBondContact O-N 3.09Å; E505-K508 PolarHBondContact O-N 3.45Å; K508-K512 WeakPolarHBondContact O-CB 3.24Å; K508-K512 WeakPolarHBondContact O-CG 3.27Å; K508-K512 PolarHBondContact O-N 3.21Å
509K91.6Very high89Confident99 Ų99113.4 Ų113.443%0.4354%0.54SS..Hα-helixtrans-67.5-43.4171.3-78.1163.2174.5164.60111.1E505 I506 L507 K512 L513E505-K509 VanDerWaalsContact CD-CE 3.45Å; E505-K509 HydrophobicContact CG-CD 4.38Å; E505-K509 WeakPolarHBondContact O-CB 3.36Å; E505-K509 WeakPolarHBondContact O-CD 3.44Å; E505-K509 VanDerWaalsContact O-CG 3.26Å; E505-K509 WeakPolarHBondContact O-CG 3.37Å; E505-K509 PolarHBondContact O-N 3.32Å; E505-K509 WeakPolarHBondContact OE1-CE 3.27Å; E505-K509 IonicContact OE1-NZ 2.79Å; E505-K509 PolarHBondContact OE1-NZ 2.87Å; E505-K509 IonicContact OE2-NZ 2.65Å; E505-K509 PolarHBondContact OE2-NZ 2.67Å; I506-K509 PolarHBondContact O-N 2.86Å; L507-K509 VanDerWaalsContact C-N 3.34Å; L507-K509 PolarHBondContact O-N 2.94Å; K509-K512 PolarHBondContact O-N 3.24Å; K509-L513 WeakPolarHBondContact O-CG 3.38Å; K509-L513 PolarHBondContact O-N 3.31Å
510K93Very high87.2Confident135 Ų135113.7 Ų113.759%0.58755%0.545SS*.Hα-helixtrans-63.9-43.5175.2-72.4173.1178.1179.80112.4I506 L507 L513 L514I506-K510 HydrophobicContact CG2-CD 4.1Å; I506-K510 WeakPolarHBondContact O-CG 3.44Å; I506-K510 PolarHBondContact O-N 2.79Å; L507-K510 PolarHBondContact O-N 2.73Å; K510-L513 PolarHBondContact O-N 3.47Å; K510-L514 WeakPolarHBondContact O-CB 3.43Å; K510-L514 PolarHBondContact O-N 2.89Å
511E89.1Confident85.2Confident126 Ų126114.3 Ų114.359%0.58956%0.56SS**Hα-helixtrans-58.2-50.5173.6-179.5-175-155.500111.2L507 L513 L514 V515L507-E511 WeakPolarHBondContact O-CB 3.47Å; L507-E511 PolarHBondContact O-N 2.99Å; E511-L513 PolarHBondContact O-N 2.7Å; E511-L514 PolarHBondContact O-N 3.44Å; E511-V515 WeakPolarHBondContact O-CG2 3.44Å; E511-V515 PolarHBondContact O-N 3.38Å
512K89.8Confident83.2Confident136 Ų136114.7 Ų114.759%0.59157%0.57SS**Hα-helixtrans-55.6-49.9175.3-82.3-175.8168.6-161.20112.7K508 K509 L514 V515 E516K508-K512 WeakPolarHBondContact O-CB 3.24Å; K508-K512 WeakPolarHBondContact O-CG 3.27Å; K508-K512 PolarHBondContact O-N 3.21Å; K509-K512 PolarHBondContact O-N 3.24Å; K512-L514 VanDerWaalsContact C-N 3.28Å; K512-L514 PolarHBondContact O-N 3.18Å; K512-V515 PolarHBondContact O-N 2.98Å; K512-E516 VanDerWaalsContact O-CB 3.24Å; K512-E516 WeakPolarHBondContact O-CB 3.33Å; K512-E516 PolarHBondContact O-N 2.82Å
513L89.3Confident81.1Confident104 Ų104112.8 Ų112.855%0.54558%0.576SS.*Hα-helixtrans-62.6-34.3179.7-72.2169.6000112.4K509 K510 E511 E516 L517K509-L513 WeakPolarHBondContact O-CG 3.38Å; K509-L513 PolarHBondContact O-N 3.31Å; K510-L513 PolarHBondContact O-N 3.47Å; E511-L513 PolarHBondContact O-N 2.7Å; L513-E516 PolarHBondContact O-N 3.24Å; L513-L517 PolarHBondContact O-N 3.47Å
514L85Confident78.9Confident115 Ų115114.1 Ų114.160%0.60259%0.592SS**Hα-helixtrans-71.4-40.6176.9-167.5151.7000111.4K510 E511 K512 L517 Q518K510-L514 WeakPolarHBondContact O-CB 3.43Å; K510-L514 PolarHBondContact O-N 2.89Å; E511-L514 PolarHBondContact O-N 3.44Å; K512-L514 VanDerWaalsContact C-N 3.28Å; K512-L514 PolarHBondContact O-N 3.18Å; L514-L517 PolarHBondContact O-N 2.95Å; L514-Q518 WeakPolarHBondContact O-CB 3.47Å; L514-Q518 PolarHBondContact O-N 3.39Å
515V84.6Confident76.8Confident66 Ų66114.4 Ų114.440%0.460%0.601SS.*Hα-helixtrans-66.1-36.6172.2170.20000111.6E511 K512 Q518 N519E511-V515 WeakPolarHBondContact O-CG2 3.44Å; E511-V515 PolarHBondContact O-N 3.38Å; K512-V515 PolarHBondContact O-N 2.98Å; V515-Q518 PolarHBondContact O-N 3.41Å; V515-N519 WeakPolarHBondContact CG1-ND2 3.24Å; V515-N519 WeakPolarHBondContact O-CB 3.42Å; V515-N519 PolarHBondContact O-N 2.96Å; V515-N519 PolarHBondContact O-ND2 2.91Å
516E81.1Confident74.3Confident117 Ų117119.1 Ų119.155%0.54762%0.623SS.*Hα-helixtrans-70-35.9177.2-170.9164.8-158.100112.2K512 L513 N520K512-E516 VanDerWaalsContact O-CB 3.24Å; K512-E516 WeakPolarHBondContact O-CB 3.33Å; K512-E516 PolarHBondContact O-N 2.82Å; L513-E516 PolarHBondContact O-N 3.24Å; E516-N520 PolarHBondContact O-ND2 3.36Å
517L74.9Confident71.6Confident141 Ų141125 Ų12574%0.73865%0.649SS**Hα-helixtrans-62.9-41.6165.8-109.167.9000112.1L513 L514L513-L517 PolarHBondContact O-N 3.47Å; L514-L517 PolarHBondContact O-N 2.95Å
518Q69.6Low69.3Low155 Ų155125.9 Ų125.972%0.72466%0.662SS**Hα-helixtrans-75.2-22.8-176.9-168.8163.120.300113.7L514 V515L514-Q518 WeakPolarHBondContact O-CB 3.47Å; L514-Q518 PolarHBondContact O-N 3.39Å; V515-Q518 PolarHBondContact O-N 3.41Å
519N68.6Low66.7Low119 Ų119127 Ų12764%0.63667%0.669SS**THydrogen-bonded Turntrans-880.4179-73.3-25.6000114.3V515 P521V515-N519 WeakPolarHBondContact CG1-ND2 3.24Å; V515-N519 WeakPolarHBondContact O-CB 3.42Å; V515-N519 PolarHBondContact O-N 2.96Å; V515-N519 PolarHBondContact O-ND2 2.91Å; N519-P521 WeakPolarHBondContact O-CD 3.31Å
520N55.7Low64.3Low117 Ų117129.1 Ų129.163%0.62668%0.683SS**SBendtrans-91.7109.7173.1-88.1-81.3000110.7E516 V522E516-N520 PolarHBondContact O-ND2 3.36Å; N520-V522 PolarHBondContact O-N 3.2Å
521P55.2Low61.4Low117 Ų117130.2 Ų130.276%0.7670%0.695SS**PPolyproline II helixtrans-73.7126.1176.929.8-33.5000111N519N519-P521 WeakPolarHBondContact O-CD 3.31Å
522V53Low58.6Low133 Ų133127.4 Ų127.481%0.80670%0.7SS**PPolyproline II helixtrans-68.6128.2169.2178.30000108.8N520N520-V522 PolarHBondContact O-N 3.2Å
523P50.7Low55.7Low105 Ų105124.8 Ų124.868%0.68271%0.712SS**PPolyproline II helixtrans-68144.9175.728.5-34.3000110.9
524P51.7Low53.2Low114 Ų114124.7 Ų124.774%0.7472%0.72SS**PPolyproline II helixtrans-65142.2179.4-1931.8000112
525P50.6Low50.8Low121 Ų121127.2 Ų127.279%0.78673%0.729SS**PPolyproline II helixtrans-71.8132.4166.730.5-32.7000110.1
526E40.9Very low48.3Very low190 Ų190131.1 Ų131.189%0.88874%0.743SS**PPolyproline II helixtrans-69.4137.9174.2-62.7-178.5152.100110.9
527Q40.8Very low46Very low175 Ų175130.9 Ų130.982%0.81875%0.75SS**PPolyproline II helixtrans-96.1131.7172.2-64.6-171.8-86.400110.9
528P46.6Very low44.7Very low127 Ų127129.8 Ų129.883%0.82575%0.751SS**PPolyproline II helixtrans-86.1135.5151.533-28.6000110
529E37.9Very low42.9Very low156 Ų156125.9 Ų125.973%0.72975%0.752SS**PPolyproline II helixtrans-99.1148.3178.5-75-154.7132.300113.3
530I41.3Very low41.2Very low142 Ų142125.5 Ų125.573%0.72876%0.759SS**  trans66.8139153.4-65.6158.5000114.7
531D32.9Very low40Very low158 Ų158130.5 Ų130.585%0.84577%0.769SS**  cis-144.1160.219.3-147.49000108.5
532G31.2Very low38.8Very low67 Ų67130.8 Ų130.869%0.69176%0.763SS**  cis172168.60.100000110.4
533G29.1Very low37.8Very low82 Ų82129.4 Ų129.485%0.84576%0.755SS**  trans124.2113.2165.700000118.2
534S35.6Very low37Very low102 Ų102134 Ų13471%0.71376%0.758SS**  trans-32.6159.7158.8-600000117.6
535E34.6Very low35.9Very low167 Ų167135.6 Ų135.678%0.7876%0.756SS**  cis-167.6179.2-5.7-108.1152.9-121.900106.8
536E32.3Very low35Very low148 Ų148135.3 Ų135.369%0.69275%0.752SS**  cis-149.2-17510.6-141.2-93.888.600109.8
537T32.9Very low34.5Very low113 Ų113134.7 Ų134.769%0.69375%0.749SS**  trans-97.1-165.1172.74.70000111.2
538P47.9Very low33.9Very low118 Ų118131.2 Ų131.277%0.76675%0.745SS**  cis-128.7-178.2-22.128.5-7.6000114.2
539G30.6Very low33.3Very low72 Ų72130.9 Ų130.974%0.74274%0.74SS**  trans14779.8142.400000123
540S33.9Very low33Very low111 Ų111131.1 Ų131.178%0.77674%0.741SS**  55.5103.8126.8-149.80000123.6
541R29.7Very low32.6Very low222 Ų222131.1 Ų131.184%0.83874%0.743SS**  79.2152119.3-148.1-166.7-165.6-143.77.3121.8
542I31.4Very low32.5Very low123 Ų123127.4 Ų127.463%0.63174%0.742SS**  trans93.996.6158.7-53.1-168.5000119.7
543T31Very low32.5Very low105 Ų105131.6 Ų131.664%0.64475%0.748SS**  trans36.8139.9134.976.30000125.2
544R33.2Very low33.1Very low200 Ų200133 Ų13376%0.75575%0.745SS**  93.5132.3128-89.5170.7175.1140.13.9122.3
545E29.8Very low32.8Very low148 Ų148132 Ų13269%0.69275%0.75SS**  trans81.2128.4133.4-74.4157.3-149.300122.4
546T31Very low32.9Very low116 Ų116129.3 Ų129.371%0.71275%0.75SS**  trans62.2110.7144.654.60000122.7
547E31Very low33.1Very low176 Ų176126.8 Ų126.882%0.82275%0.749SS**  77.4140.2124.1-64.3-170.2160.500123.1
548S29.2Very low32.9Very low103 Ų103130.9 Ų130.972%0.7276%0.757SS**  trans89.1121.5141.7-71.30000122.7
549V32.7Very low32.3Very low119 Ų119134.5 Ų134.572%0.72176%0.761SS**  trans83.2107133.9171.50000119.5
550E32.1Very low32.5Very low162 Ų162137.2 Ų137.276%0.75776%0.759SS**  trans59.4153.1140.5-61.1-166.3147.500121
551N32.3Very low32.7Very low142 Ų142136.5 Ų136.576%0.75975%0.753SS**  cis-159.8134.7-22.3-101.7-27.7000106.3
552G31.1Very low33Very low80 Ų80131.6 Ų131.683%0.82575%0.753SS**  trans-169.257.1-167.800000118.9
553D31Very low33Very low154 Ų154131.4 Ų131.482%0.82476%0.758SS**  trans45.6128.3152.4-154.617.5000123.8
554S41.7Very low33.1Very low113 Ų113135 Ų13579%0.7977%0.767SS**  trans52.7116.5151.7-70.70000122.9
555G30.5Very low33.2Very low79 Ų79131.5 Ų131.581%0.81477%0.768SS**  trans-166.629176.100000119.7
556S35.4Very low33.5Very low112 Ų112132.7 Ų132.778%0.78377%0.774SS**  trans51.1123.2168.4-1780000121.6
557S37Very low33.7Very low95 Ų95134.7 Ų134.766%0.66478%0.78SS**  trans-9157.8144.969.90000120.9
558F29.2Very low33.7Very low198 Ų198130.3 Ų130.387%0.86877%0.774SS**  cis-158.513536.8-144.6-79.3000113.2
559K35Very low35Very low194 Ų194131 Ų13184%0.84378%0.776SS**  trans-165.8169.3175.5-83.1-161-178.2-174.40108.6
560D33.5Very low36.4Very low130 Ų130130.7 Ų130.770%0.69578%0.776SS**  cis-178.5153.6-28.5179.614.7000106.8
561S39.3Very low37.2Very low95 Ų95129.2 Ų129.266%0.66478%0.781SS**  trans51129.2154.6-73.10000124.4
562S35.9Very low37.2Very low119 Ų119127.6 Ų127.683%0.83279%0.787SS**  trans72167.6140.5-155.50000119.7
563V31.6Very low37.2Very low119 Ų119128.4 Ų128.472%0.72179%0.786SS**  trans161128.1144.6155.60000111T565V563-T565 WeakPolarHBondContact CG1-OG1 3.27Å
564Q33.3Very low37.5Very low181 Ų181125.8 Ų125.885%0.84679%0.786SS**  trans-92.6147.8157.1-60.6171.7-90.100109
565T34.3Very low37Very low126 Ų126128 Ų12877%0.77379%0.789SS**  trans-151.2151.5167.2-38.10000112.9V563V563-T565 WeakPolarHBondContact CG1-OG1 3.27Å
566E36.2Very low37.2Very low174 Ų174134.9 Ų134.981%0.81379%0.79SS**  trans-125.3-177.2-175.7-59.8178.7-148.900111.1
567D35.5Very low37.1Very low158 Ų158134.7 Ų134.785%0.84578%0.784SS**  trans-42.4128.5-163.5-82.6-46.7000121.1
568A31.1Very low37Very low84 Ų84138.1 Ų138.169%0.69479%0.789SS**  43.6171.8110.400000122.8
569P55.8Low36.9Very low118 Ų118135 Ų13577%0.76679%0.787SS**  -135.2-139-52.139.4-19.4000111.2
570P62.3Low36.6Very low112 Ų112130.8 Ų130.873%0.72779%0.788SS**  -109.8-172-67.141.7-25.6000112.9
571P48.9Very low36.2Very low131 Ų131132 Ų13285%0.85180%0.795SS**  -146.2-165.385.136.6-15.5000114.1
572A32.4Very low35.9Very low107 Ų107135.2 Ų135.288%0.88480%0.803SS**  trans-152.5157.4-165.300000118.1
573A30.6Very low35.8Very low97 Ų97134.3 Ų134.380%0.80280%0.796SS**  trans-158.4136156.400000107.1
574A37.6Very low36Very low100 Ų100134.1 Ų134.183%0.82680%0.795SS**  cis88.398.942.400000114.7
575D32.7Very low35.8Very low160 Ų160133.6 Ų133.686%0.85679%0.793SS**  -165.6-152.1117.6-146-18.4000112.7
576R34.2Very low35.7Very low223 Ų223133.8 Ų133.884%0.84279%0.789SS**  trans-148176.7-146.3-173-176.4-179.5-170.40.7113
577V32.5Very low35.8Very low107 Ų107132.3 Ų132.365%0.64878%0.782SS**  trans106.8105.1154.8-176.50000120.1
578Q34.3Very low35.3Very low167 Ų167131.1 Ų131.178%0.7878%0.776SS**  trans56.6121.1131.1-59173.96.400125.8
579T27.6Very low35.1Very low134 Ų134136.8 Ų136.882%0.82278%0.779SS**  33.513613064.50000124
580A29.1Very low34.9Very low104 Ų104136.5 Ų136.586%0.8678%0.777SS**  174.7167.4112.300000113.7
581D26Very low33.4Very low157 Ų157135.5 Ų135.584%0.8478%0.778SS**  trans-105.2-173.9-173.7-102.6-65.4000114.1
582I32.3Very low33.3Very low162 Ų162134.6 Ų134.683%0.83177%0.773SS**  trans93.3143159.5-50.6171.4000116.6
583S34.5Very low32.9Very low100 Ų100135.9 Ų135.970%0.69977%0.774SS**  cis178.6-178.2-34.2-170.10000109.6
584V34.4Very low32.8Very low115 Ų115134.7 Ų134.770%0.69777%0.771SS**  trans75.9144.4164.3-168.90000115.4
585Q29.2Very low32.3Very low170 Ų170135.4 Ų135.479%0.79477%0.77SS**  cis-139.6156.32.8-132.1142.3-0.800108.6
586N32.1Very low31.9Very low130 Ų130132.8 Ų132.870%0.69577%0.77SS**  cis69.8140.439.7-89.6-24.5000115.6
587Q39.8Very low31.5Very low142 Ų142130.8 Ų130.866%0.66477%0.771SS**  cis-176.4177.5-14.6-147.6-166.69000113.1
588N24.6Very low32.1Very low133 Ų133130.6 Ų130.671%0.71177%0.771SS**  trans-159.8155.8139.8-93.2-55.6000108.6
589R26.9Very low31.6Very low203 Ų203129.6 Ų129.677%0.76677%0.772SS**  cis8414417.5-168.6-174.5-179.3-129.43.5114.6
590P51.3Low31.6Very low112 Ų112127.7 Ų127.773%0.72776%0.764SS**  cis-108.4162.6-4.98.617.1000114
591A30.3Very low31.6Very low91 Ų91134.2 Ų134.275%0.75277%0.766SS**  87.3159.552.300000113.9
592P46.1Very low31.9Very low112 Ų112132.4 Ų132.473%0.72777%0.765SS**  cis-140169.111.743.5-25.4000119.3
593C24.8Very low31.8Very low135 Ų135136.1 Ų136.191%0.91277%0.769SS**  trans45.6142.8152.9-58.50000122.1
594G28.1Very low31.8Very low71 Ų71135.2 Ų135.273%0.73277%0.768SS**  cis166.7-176.24.400000109.7
595S27.3Very low32.9Very low116 Ų116135 Ų13581%0.81177%0.769SS**  cis-179.9148-15.646.80000112.4
596A24.7Very low33.2Very low105 Ų105138.1 Ų138.187%0.86877%0.773SS**  trans86.3147.8151.900000123.9
597E24.8Very low33.5Very low181 Ų181136.6 Ų136.685%0.84678%0.779SS**  trans-101.7-175161.6-126.7-159.1172.300108.4
598P45.5Very low33.1Very low102 Ų102133 Ų13366%0.66278%0.78SS**  cis-136.3-175.5-7.341.8-23.4000115.9
599N25.4Very low34.1Very low147 Ų147135.8 Ų135.879%0.78679%0.785SS**  trans59.3114.6145.7-168.511.9000121.2
600S27.1Very low34.8Very low94 Ų94133.4 Ų133.466%0.65778%0.783SS**  159.8156.7110.963.80000117.6
601R28Very low34.2Very low241 Ų241135.3 Ų135.391%0.90979%0.787SS**  trans66.1115.3152.7-74.1169.2178.7178.50.4122.2
602S33.3Very low34.5Very low118 Ų118138.3 Ų138.383%0.82579%0.789SS**  trans-25.9134.6147.8174.80000118.2
603R30.3Very low33.7Very low240 Ų240138.3 Ų138.391%0.90679%0.791SS**  -171.2159.3117.7-129.9-178.5179.3171.9-0.5113.5
604A33Very low34.6Very low82 Ų82139.5 Ų139.568%0.67879%0.787SS**  trans-110.1-171157.800000108.7
605P57.5Low35.6Very low110 Ų110142.3 Ų142.371%0.71479%0.792SS**  cis-134.7-155.8-7.441.1-21.1000112.6
606R36.2Very low36.2Very low235 Ų235142 Ų14289%0.88780%0.796SS**  trans129.1160.2150-63.2-128.2-166.4-138.31.4113.6
607A37.8Very low36.9Very low99 Ų99140.6 Ų140.682%0.81879%0.793SS**  170.6129.7-51.900000110.4
608G33Very low37.8Very low66 Ų66141.5 Ų141.568%0.6880%0.797SS**  trans-177.3109.8169.400000108.8
609K45.3Very low37.7Very low191 Ų191141.8 Ų141.883%0.8379%0.793SS**  72.6130.485.3-78.4-174.8172-161.40112.7
610E40.4Very low38.9Very low154 Ų154140.5 Ų140.572%0.7279%0.793SS**  cis-148.4140.6-11.745.2-110.4143.100108.6
611N39.2Very low39.7Very low151 Ų151144.3 Ų144.381%0.80779%0.794SS**  83.4140.761-116.41.4000114.9
612I36.8Very low40.7Very low154 Ų154135.8 Ų135.879%0.7978%0.775SS**  trans74.1131.2167.6-63.1162.7000115.8
613C29.3Very low41.5Very low113 Ų113135.1 Ų135.176%0.76477%0.768SS**  cis-157.9166.1-11.2-1140000112.3
614L43Very low42.2Very low160 Ų160131.6 Ų131.684%0.83876%0.759SS**  trans-95.8164.6153.4-68173.2000109.2
615P50.5Low43Very low129 Ų129131 Ų13184%0.83876%0.755SS**  -144.2173.9106.339.1-25.2000116.1
616A40.1Very low42.2Very low109 Ų109137.6 Ų137.690%0.90177%0.766SS**  trans-38.6153.6-178.200000119.7
617G38.4Very low42.5Very low77 Ų77132.4 Ų132.479%0.79476%0.76SS**  trans16695.7165.600000111.6
618E43.3Very low42.7Very low199 Ų199136.8 Ų136.893%0.9376%0.764SS**  trans-81.7117.5169.8-68.8-173.2135.700109.6
619D44.7Very low43Very low108 Ų108144.7 Ų144.758%0.57877%0.773SS**  trans-103.3110.5169.4175.611.2000109.7Y621 A622D619-Y621 PolarHBondContact O-N 2.84Å; D619-Y621 VanDerWaalsContact O-N 3.12Å; D619-Y621 VanDerWaalsContact OD1-CB 3.28Å; D619-Y621 WeakPolarHBondContact OD1-CB 3.29Å; D619-Y621 PolarHBondContact OD1-N 2.91Å; D619-A622 PolarHBondContact O-N 2.79Å
620P50.8Low42.7Very low121 Ų121141 Ų14179%0.78677%0.772SS**THydrogen-bonded Turntrans-62.3-13.8176.8-23.534.9000114.8P623P620-P623 WeakPolarHBondContact O-CD 3.36Å
621Y41.9Very low43.2Very low173 Ų173145.4 Ų145.468%0.67878%0.781SS**THydrogen-bonded Turntrans-88.4-2.7-174.7-150.2-104.7000114.6D619 P623D619-Y621 PolarHBondContact O-N 2.84Å; D619-Y621 VanDerWaalsContact O-N 3.12Å; D619-Y621 VanDerWaalsContact OD1-CB 3.28Å; D619-Y621 WeakPolarHBondContact OD1-CB 3.29Å; D619-Y621 PolarHBondContact OD1-N 2.91Å; Y621-P623 VanDerWaalsContact C-N 3.33Å; Y621-P623 WeakPolarHBondContact O-CD 3.22Å; Y621-P623 VanDerWaalsContact O-N 3.12Å
622A50.6Low43.4Very low63 Ų63148.9 Ų148.952%0.52178%0.783SS.*G310 helixtrans-49.3-31.6177.900000117.3D619 F624 A625D619-A622 PolarHBondContact O-N 2.79Å; A622-F624 PolarHBondContact O-N 3.23Å; A622-A625 PolarHBondContact O-N 3.21Å
623P49.1Very low43.4Very low104 Ų104146.6 Ų146.668%0.67578%0.781SS**G310 helixtrans-59.9-18.9-174.9-28.637.1000116.7P620 Y621P620-P623 WeakPolarHBondContact O-CD 3.36Å; Y621-P623 VanDerWaalsContact C-N 3.33Å; Y621-P623 WeakPolarHBondContact O-CD 3.22Å; Y621-P623 VanDerWaalsContact O-N 3.12Å
624F46Very low44.2Very low165 Ų165151.2 Ų151.272%0.72479%0.788SS**G310 helixtrans-105.7-3.2-176-63.8-76.7000114.3A622 R626A622-F624 PolarHBondContact O-N 3.23Å; F624-R626 PolarHBondContact O-N 2.76Å
625A48.4Very low44.6Very low71 Ų71149.8 Ų149.859%0.58779%0.786SS**  trans-77.2105.4176.900000111.5A622 T627A622-A625 PolarHBondContact O-N 3.21Å; A625-T627 PolarHBondContact O-N 2.85Å
626R41.4Very low44.7Very low248 Ų248154 Ų15494%0.93679%0.785SS**  trans-62.1106.6175.4-74.8-179.7168-174.3-3111F624 E628F624-R626 PolarHBondContact O-N 2.76Å; R626-E628 PolarHBondContact O-N 2.83Å
627T43.5Very low45.5Very low125 Ų125153.3 Ų153.377%0.76777%0.772SS**  trans-79.9107.5178.737.70000112.3A625 R629A625-T627 PolarHBondContact O-N 2.85Å; T627-R629 PolarHBondContact O-N 3.4Å
628E40.6Very low46.7Very low192 Ų192156.6 Ų156.690%0.89777%0.766SS**  trans-65.4126.5150.4-79.4-145.2134.200109.3R626R626-E628 PolarHBondContact O-N 2.83Å
629R40.2Very low46.8Very low231 Ų231158.7 Ų158.787%0.87277%0.766SS**  trans-138104.7157.8-76.5-160.9172.2-164.4-1.8112T627T627-R629 PolarHBondContact O-N 3.4Å
630S38.7Very low47.4Very low115 Ų115155.5 Ų155.580%0.80476%0.759SS**  trans28.9119.6143.9-165.80000119R632S630-R632 PolarHBondContact O-N 3.45Å
631R50.8Low47.4Very low245 Ų245154.4 Ų154.493%0.92575%0.75SS**  trans-76.6111.4167.7-64.7-177.8-179.5-168.21.7111.3
632R42.6Very low47.9Very low225 Ų225155.3 Ų155.385%0.84976%0.76SS**  trans-157149.3150.2-113.6165-119.5-139.80.6112.3S630 K634S630-R632 PolarHBondContact O-N 3.45Å; R632-K634 PolarHBondContact O-N 2.8Å
633S37.4Very low48.2Very low106 Ų106162.7 Ų162.774%0.74178%0.775SS**  trans37.568.5163.556.90000118.4T635S633-T635 PolarHBondContact O-N 2.9Å
634K47.2Very low48.7Very low209 Ų209163.2 Ų163.291%0.90978%0.779SS**  trans-83.284.1148.3-73.4-175.8179.3-179.80108.5R632 R636R632-K634 PolarHBondContact O-N 2.8Å; K634-R636 PolarHBondContact O-N 3.49Å; K634-R636 VanDerWaalsContact O-N 3.12Å
635T50.3Low49.3Very low131 Ų131161 Ų16180%0.80478%0.783SS**  trans-61.6114.7172.8-53.70000108.3S633S633-T635 PolarHBondContact O-N 2.9Å
636R52.8Low50.2Low216 Ų216168.5 Ų168.582%0.81580%0.796SS**  trans-74.3141-177.7-160.4177.4-167.2176.33108.7K634 E638K634-R636 PolarHBondContact O-N 3.49Å; K634-R636 VanDerWaalsContact O-N 3.12Å; R636-E638 PolarHBondContact O-N 2.81Å
637P57.8Low51.7Low95 Ų95167.4 Ų167.462%0.61779%0.792SS**  trans-57127.5173.6-25.735000111.1W639P637-W639 PolarHBondContact O-N 2.97Å
638E62.5Low53.3Low146 Ų146169.4 Ų169.468%0.68279%0.791SS**  trans-73.763.5-175.1-86.5-97.3115.800112.4R636 G640 T641R636-E638 PolarHBondContact O-N 2.81Å; E638-G640 VanDerWaalsContact C-N 3.35Å; E638-G640 PolarHBondContact O-N 3.06Å; E638-T641 WeakPolarHBondContact OE2-CB 3.31Å; E638-T641 WeakPolarHBondContact OE2-CG2 3.36Å; E638-T641 PolarHBondContact OE2-OG1 3.23Å
639W44.8Very low54.8Low243 Ų243162.6 Ų162.692%0.9276%0.762SS**THydrogen-bonded Turntrans-72.984.9173.4-73.8104.2000111.4P637P637-W639 PolarHBondContact O-N 2.97Å
640G58.9Low56.5Low42 Ų42153.7 Ų153.743%0.43373%0.734SS.*THydrogen-bonded Turntrans147.8-7162.400000117.8E638 Q642 R643E638-G640 VanDerWaalsContact C-N 3.35Å; E638-G640 PolarHBondContact O-N 3.06Å; G640-Q642 VanDerWaalsContact C-N 3.29Å; G640-Q642 PolarHBondContact O-N 2.73Å; G640-R643 PolarHBondContact O-N 3.05Å
641T50.7Low57.8Low97 Ų97151.4 Ų151.460%0.59572%0.722SS**THydrogen-bonded Turntrans-76.2-8.7-173.539.80000115.1E638E638-T641 WeakPolarHBondContact OE2-CB 3.31Å; E638-T641 WeakPolarHBondContact OE2-CG2 3.36Å; E638-T641 PolarHBondContact OE2-OG1 3.23Å
642Q52.5Low58.6Low192 Ų192142.2 Ų142.290%0.89770%0.695SS**THydrogen-bonded Turntrans-95.645.3162.4-68.7-164.4-2.200113.4G640 P644G640-Q642 VanDerWaalsContact C-N 3.29Å; G640-Q642 PolarHBondContact O-N 2.73Å; Q642-P644 WeakPolarHBondContact O-CD 3.42Å
643R57.1Low60Low218 Ų218136.5 Ų136.582%0.82368%0.678SS**  trans-89.3100.7159.6-77.6-172.4175.7-141.6-2.3109G640G640-R643 PolarHBondContact O-N 3.05Å
644P58.3Low61.9Low116 Ų116139 Ų13975%0.75367%0.672SS**  trans-57143.6170.925.6-34.3000109.3Q642 R646Q642-P644 WeakPolarHBondContact O-CD 3.42Å; P644-R646 PolarHBondContact O-N 3.33Å
645S59Low63.2Low117 Ų117134 Ų13482%0.81865%0.647SS**  trans-61.299.4-171.451.10000111R647S645-R647 PolarHBondContact O-N 2.91Å
646R66.4Low64.7Low230 Ų230132 Ų13287%0.86864%0.637SS**  trans-70.4100.6-176.5-143.1175.8-165.6-99.14.2107.7P644 F648P644-R646 PolarHBondContact O-N 3.33Å; R646-F648 PolarHBondContact O-N 2.9Å
647R74.3Confident65.8Low225 Ų225126.6 Ų126.685%0.84963%0.628SS**  trans-44.2137.4179.1-73.9-173.6-87.9-154.6-3.8110.2S645 V649S645-R647 PolarHBondContact O-N 2.91Å; R647-V649 PolarHBondContact O-N 2.81Å
648F75.4Confident66.4Low167 Ų167125 Ų12573%0.73262%0.623SS**  trans-60.4110.5-177.5173.1-95000109.7R646 P650R646-F648 PolarHBondContact O-N 2.9Å; F648-P650 HydrophobicContact CD1-CG 4.34Å; F648-P650 HydrophobicContact CE1-CB 4.27Å; F648-P650 HydrophobicContact CE1-CG 4.16Å; F648-P650 WeakPolarHBondContact O-CD 3.32Å
649V73.9Confident67.2Low49 Ų49122.2 Ų122.230%0.29761%0.612SS.*  trans-84.8114.7172.4-178.50000107.7R647 E653 R654R647-V649 PolarHBondContact O-N 2.81Å; V649-E653 HydrophobicContact CG1-CB 3.48Å; V649-E653 VanDerWaalsContact CG1-CB 3.48Å; V649-R654 HydrophobicContact CB-CG 4.44Å; V649-R654 HydrophobicContact CG1-CG 3.9Å; V649-R654 PolarHBondContact O-NE 2.75Å; V649-R654 PolarHBondContact O-NH2 2.97Å
650P74.5Confident69Low43 Ų43112.7 Ų112.728%0.27958%0.578SS.*  trans-57153.8175.3-24.335.4000111.9F648 S652 E653F648-P650 HydrophobicContact CD1-CG 4.34Å; F648-P650 HydrophobicContact CE1-CB 4.27Å; F648-P650 HydrophobicContact CE1-CG 4.16Å; F648-P650 WeakPolarHBondContact O-CD 3.32Å; P650-S652 PolarHBondContact O-N 3.19Å; P650-E653 WeakPolarHBondContact CD-OE2 3.29Å; P650-E653 PolarHBondContact O-N 3.28Å
651A66.9Low70.2Confident67 Ų67118.1 Ų118.155%0.55459%0.585SS**THydrogen-bonded Turntrans-60-20.6-176.100000114Y655A651-Y655 WeakPolarHBondContact O-CD2 3.4Å; A651-Y655 WeakPolarHBondContact O-CE2 3.14Å
652S66.6Low71.8Confident52 Ų52117.6 Ų117.636%0.36458%0.579SS.*THydrogen-bonded Turntrans-68-33.2172.939.30000114.3P650 Q660P650-S652 PolarHBondContact O-N 3.19Å; S652-Q660 WeakPolarHBondContact O-CG 3.33Å
653E73.1Confident73Confident105 Ų105114.4 Ų114.449%0.49156%0.559SS.*THydrogen-bonded Turntrans-95-0-175.3-71.3158.5-134.600112.7V649 P650 Y655V649-E653 HydrophobicContact CG1-CB 3.48Å; V649-E653 VanDerWaalsContact CG1-CB 3.48Å; P650-E653 WeakPolarHBondContact CD-OE2 3.29Å; P650-E653 PolarHBondContact O-N 3.28Å; E653-Y655 VanDerWaalsContact C-N 3.29Å
654R77.1Confident74.4Confident160 Ų160108 Ų10860%0.60454%0.538SS*.THydrogen-bonded Turntrans-84.4-3175-61.8-176.2-169.9-162.41.4113.6V649V649-R654 HydrophobicContact CB-CG 4.44Å; V649-R654 HydrophobicContact CG1-CG 3.9Å; V649-R654 PolarHBondContact O-NE 2.75Å; V649-R654 PolarHBondContact O-NH2 2.97Å
655Y74.1Confident75.9Confident102 Ų102106.7 Ų106.740%0.452%0.522SS..SBendtrans-105.5151.4178.2-66.5-93000109.9A651 E653 R663A651-Y655 WeakPolarHBondContact O-CD2 3.4Å; A651-Y655 WeakPolarHBondContact O-CE2 3.14Å; E653-Y655 VanDerWaalsContact C-N 3.29Å; Y655-R663 PolarHBondContact OH-NH1 3.03Å
656P81.4Confident77.4Confident89 Ų89104.5 Ų104.558%0.57851%0.506SS*.  trans-50.9143.2170.3-27.334.9000112.2A658 L659 Q660P656-A658 PolarHBondContact O-N 2.93Å; P656-L659 HydrophobicContact CG-CD1 4.49Å; P656-L659 PolarHBondContact O-N 2.88Å; P656-Q660 PolarHBondContact O-N 2.92Å
657V75.6Confident78.6Confident103 Ų103100.1 Ų100.162%0.62449%0.49SS*.Hα-helixtrans-55.9-32.8-170.2-179.20000113Q660 R661V657-Q660 PolarHBondContact O-N 3.07Å; V657-R661 WeakPolarHBondContact O-CG 3.4Å; V657-R661 PolarHBondContact O-N 3.16Å
658A72.4Confident79.5Confident63 Ų6394.6 Ų94.652%0.52148%0.477SS..Hα-helixtrans-57.5-58.7171.900000111.7P656 Q660 R661 D662P656-A658 PolarHBondContact O-N 2.93Å; A658-Q660 PolarHBondContact O-N 3.14Å; A658-Q660 VanDerWaalsContact O-N 3.16Å; A658-R661 CarbonylContact O-C 3.59Å; A658-R661 WeakPolarHBondContact O-CA 3.32Å; A658-R661 WeakPolarHBondContact O-CB 3.44Å; A658-R661 PolarHBondContact O-N 3.1Å; A658-D662 PolarHBondContact O-N 2.93Å
659L78.1Confident80.3Confident87 Ų8794.7 Ų94.746%0.45547%0.472SS..Hα-helixtrans-62.3-25.3178.8-69.5170.3000113.4P656 R663P656-L659 HydrophobicContact CG-CD1 4.49Å; P656-L659 PolarHBondContact O-N 2.88Å; L659-R663 WeakPolarHBondContact O-CB 3.21Å; L659-R663 WeakPolarHBondContact O-CG 3.44Å; L659-R663 PolarHBondContact O-N 3.45Å; L659-R663 VanDerWaalsContact O-N 3.14Å
660Q82.5Confident81.1Confident42 Ų42100.2 Ų100.220%0.19649%0.488CS..Hα-helixtrans-68.3-42.7170.7-174.6176.5300111.5S652 P656 V657 A658 Q664S652-Q660 WeakPolarHBondContact O-CG 3.33Å; P656-Q660 PolarHBondContact O-N 2.92Å; V657-Q660 PolarHBondContact O-N 3.07Å; A658-Q660 PolarHBondContact O-N 3.14Å; A658-Q660 VanDerWaalsContact O-N 3.16Å; Q660-Q664 WeakPolarHBondContact O-CG 3.42Å; Q660-Q664 PolarHBondContact O-N 3.19Å
661R83.8Confident81.9Confident157 Ų157103.6 Ų103.659%0.59250%0.5SS*.Hα-helixtrans-67.9-45174.2-66.6-175.281.796.7-1.4111.5V657 A658 R663 Q664 E665V657-R661 WeakPolarHBondContact O-CG 3.4Å; V657-R661 PolarHBondContact O-N 3.16Å; A658-R661 CarbonylContact O-C 3.59Å; A658-R661 WeakPolarHBondContact O-CA 3.32Å; A658-R661 WeakPolarHBondContact O-CB 3.44Å; A658-R661 PolarHBondContact O-N 3.1Å; R661-R663 PolarHBondContact O-N 3.39Å; R661-Q664 CarbonylContact O-C 3.57Å; R661-Q664 WeakPolarHBondContact O-CA 3.39Å; R661-Q664 WeakPolarHBondContact O-CB 3.42Å; R661-Q664 PolarHBondContact O-N 3.36Å; R661-E665 PolarHBondContact O-N 3.33Å
662D84.6Confident82.9Confident86 Ų86103.2 Ų103.246%0.4650%0.497SS..Hα-helixtrans-57.3-38.8177.6-53.6-23.8000111.4A658 S666A658-D662 PolarHBondContact O-N 2.93Å; D662-S666 WeakPolarHBondContact O-CB 3.44Å; D662-S666 PolarHBondContact O-N 3.38Å
663R78.9Confident84Confident125 Ų125106.2 Ų106.247%0.47251%0.505SS..Hα-helixtrans-74.2-28.3173.3-78.9-179168.4-177.51.5114.3Y655 L659 R661 R667Y655-R663 PolarHBondContact OH-NH1 3.03Å; L659-R663 WeakPolarHBondContact O-CB 3.21Å; L659-R663 WeakPolarHBondContact O-CG 3.44Å; L659-R663 PolarHBondContact O-N 3.45Å; L659-R663 VanDerWaalsContact O-N 3.14Å; R661-R663 PolarHBondContact O-N 3.39Å; R663-R667 VanDerWaalsContact O-CG 3.32Å; R663-R667 WeakPolarHBondContact O-CG 3.36Å; R663-R667 PolarHBondContact O-N 2.95Å; R663-R667 PolarHBondContact O-NE 2.79Å
664Q86.6Confident84.9Confident82 Ų82106.2 Ų106.238%0.38351%0.508SS..Hα-helixtrans-69.9-49.2170.9-76.6167.2-25.800109.8Q660 R661 R667 L668Q660-Q664 WeakPolarHBondContact O-CG 3.42Å; Q660-Q664 PolarHBondContact O-N 3.19Å; R661-Q664 CarbonylContact O-C 3.57Å; R661-Q664 WeakPolarHBondContact O-CA 3.39Å; R661-Q664 WeakPolarHBondContact O-CB 3.42Å; R661-Q664 PolarHBondContact O-N 3.36Å; Q664-R667 PolarHBondContact O-N 2.89Å; Q664-L668 WeakPolarHBondContact O-CG 3.29Å; Q664-L668 PolarHBondContact O-N 3.14Å
665E88.4Confident85.4Confident89 Ų89103 Ų10342%0.41650%0.502SS..Hα-helixtrans-62.8-44.8178.3-165.1-174.1143.900112R661 R667 L668 R669R661-E665 PolarHBondContact O-N 3.33Å; E665-R667 VanDerWaalsContact C-N 3.26Å; E665-R667 PolarHBondContact O-N 2.89Å; E665-L668 PolarHBondContact O-N 3.46Å; E665-L668 VanDerWaalsContact O-N 3.14Å; E665-R669 HydrophobicContact CG-CG 4.36Å; E665-R669 WeakPolarHBondContact O-CB 3.45Å; E665-R669 WeakPolarHBondContact O-CG 3.28Å; E665-R669 PolarHBondContact O-N 3.19Å; E665-R669 IonicContact OE1-CZ 3.88Å; E665-R669 IonicContact OE1-NE 3.38Å; E665-R669 PolarHBondContact OE1-NE 2.83Å; E665-R669 IonicContact OE1-NH2 2.87Å; E665-R669 PolarHBondContact OE1-NH2 2.82Å
666S90.3Very high86Confident71 Ų71100.5 Ų100.550%0.49750%0.503SS..Hα-helixtrans-59-36.1175.3178.60000112.7D662 R670D662-S666 WeakPolarHBondContact O-CB 3.44Å; D662-S666 PolarHBondContact O-N 3.38Å; S666-R670 WeakPolarHBondContact O-CB 3.22Å; S666-R670 PolarHBondContact O-N 2.94Å
667R92.8Very high86.2Confident139 Ų139100.7 Ų100.753%0.52550%0.498SS..Hα-helixtrans-71-41.8173.9-75.6178.9-65.4177.86.2112.2R663 Q664 E665 R670 Q671R663-R667 VanDerWaalsContact O-CG 3.32Å; R663-R667 WeakPolarHBondContact O-CG 3.36Å; R663-R667 PolarHBondContact O-N 2.95Å; R663-R667 PolarHBondContact O-NE 2.79Å; Q664-R667 PolarHBondContact O-N 2.89Å; E665-R667 VanDerWaalsContact C-N 3.26Å; E665-R667 PolarHBondContact O-N 2.89Å; R667-R670 PolarHBondContact O-N 2.73Å; R667-Q671 WeakPolarHBondContact O-CB 3.4Å; R667-Q671 WeakPolarHBondContact O-CG 3.4Å; R667-Q671 PolarHBondContact O-N 3.25Å
668L93.4Very high86.3Confident109 Ų109102 Ų10257%0.57150%0.497SS*.Hα-helixtrans-65.9-43.2176.4-69.9169.6000111.6Q664 E665 R670 Q671 A672Q664-L668 WeakPolarHBondContact O-CG 3.29Å; Q664-L668 PolarHBondContact O-N 3.14Å; E665-L668 PolarHBondContact O-N 3.46Å; E665-L668 VanDerWaalsContact O-N 3.14Å; L668-R670 PolarHBondContact O-N 3.42Å; L668-Q671 PolarHBondContact O-N 3.34Å; L668-A672 WeakPolarHBondContact O-CB 3.43Å; L668-A672 PolarHBondContact O-N 2.84Å
669R92.5Very high86.4Confident169 Ų169107.5 Ų107.564%0.63851%0.509SS*.Hα-helixtrans-56.8-47.7171.7-74.3178.4-180-122.37.4111E665 Q671 A672 E673E665-R669 HydrophobicContact CG-CG 4.36Å; E665-R669 WeakPolarHBondContact O-CB 3.45Å; E665-R669 WeakPolarHBondContact O-CG 3.28Å; E665-R669 PolarHBondContact O-N 3.19Å; E665-R669 IonicContact OE1-CZ 3.88Å; E665-R669 IonicContact OE1-NE 3.38Å; E665-R669 PolarHBondContact OE1-NE 2.83Å; E665-R669 IonicContact OE1-NH2 2.87Å; E665-R669 PolarHBondContact OE1-NH2 2.82Å; R669-Q671 PolarHBondContact O-N 2.73Å; R669-A672 PolarHBondContact O-N 2.86Å; R669-E673 VanDerWaalsContact O-CB 3.29Å; R669-E673 WeakPolarHBondContact O-CB 3.35Å; R669-E673 PolarHBondContact O-N 2.88Å
670R89.8Confident85.4Confident165 Ų165108.1 Ų108.162%0.62352%0.517SS*.Hα-helixtrans-65.4-34.5175.7-177.1175.7-72.2-170.1-2113.1S666 R667 L668 L674S666-R670 WeakPolarHBondContact O-CB 3.22Å; S666-R670 PolarHBondContact O-N 2.94Å; R667-R670 PolarHBondContact O-N 2.73Å; L668-R670 PolarHBondContact O-N 3.42Å; R670-L674 HydrophobicContact CG-CD1 4.15Å; R670-L674 HydrophobicContact CG-CG 4.45Å; R670-L674 WeakPolarHBondContact O-CB 3.45Å; R670-L674 VanDerWaalsContact O-CG 3.25Å; R670-L674 WeakPolarHBondContact O-CG 3.45Å; R670-L674 PolarHBondContact O-N 2.82Å
671Q91.6Very high83.8Confident113 Ų113115.1 Ų115.153%0.52854%0.542SS..Hα-helixtrans-67.7-42.8174.1-76.9172.6-1300111.3R667 L668 R669 L674 L675R667-Q671 WeakPolarHBondContact O-CB 3.4Å; R667-Q671 WeakPolarHBondContact O-CG 3.4Å; R667-Q671 PolarHBondContact O-N 3.25Å; L668-Q671 PolarHBondContact O-N 3.34Å; R669-Q671 PolarHBondContact O-N 2.73Å; Q671-L674 PolarHBondContact O-N 3.44Å; Q671-L675 WeakPolarHBondContact O-CB 3.31Å; Q671-L675 VanDerWaalsContact O-CG 3.3Å; Q671-L675 WeakPolarHBondContact O-CG 3.49Å; Q671-L675 PolarHBondContact O-N 3.07Å
672A87.2Confident82.1Confident60 Ų60113.4 Ų113.450%0.49655%0.551SS.*Hα-helixtrans-64-40.1173.800000112L668 R669 L675 A676L668-A672 WeakPolarHBondContact O-CB 3.43Å; L668-A672 PolarHBondContact O-N 2.84Å; R669-A672 PolarHBondContact O-N 2.86Å; A672-L675 PolarHBondContact O-N 3.39Å; A672-A676 VanDerWaalsContact O-CB 3.29Å; A672-A676 WeakPolarHBondContact O-CB 3.29Å; A672-A676 PolarHBondContact O-N 2.97Å
673E90.2Very high80Confident114 Ų114114.6 Ų114.653%0.53357%0.566SS.*Hα-helixtrans-61.1-46.7173-177.5-173-17500111.7R669 A676 L677R669-E673 VanDerWaalsContact O-CB 3.29Å; R669-E673 WeakPolarHBondContact O-CB 3.35Å; R669-E673 PolarHBondContact O-N 2.88Å; E673-A676 PolarHBondContact O-N 3.06Å; E673-L677 HydrophobicContact CG-CD1 4.33Å; E673-L677 WeakPolarHBondContact O-CB 3.43Å; E673-L677 VanDerWaalsContact O-CG 3.29Å; E673-L677 WeakPolarHBondContact O-CG 3.26Å; E673-L677 PolarHBondContact O-N 3.15Å
674L91.6Very high78Confident105 Ų105120.1 Ų120.155%0.5559%0.587SS.*Hα-helixtrans-65.5-38176-73.7169.3000112.5R670 Q671 L677 Q678R670-L674 HydrophobicContact CG-CD1 4.15Å; R670-L674 HydrophobicContact CG-CG 4.45Å; R670-L674 WeakPolarHBondContact O-CB 3.45Å; R670-L674 VanDerWaalsContact O-CG 3.25Å; R670-L674 WeakPolarHBondContact O-CG 3.45Å; R670-L674 PolarHBondContact O-N 2.82Å; Q671-L674 PolarHBondContact O-N 3.44Å; L674-L677 PolarHBondContact O-N 3.01Å; L674-Q678 WeakPolarHBondContact O-CB 3.3Å; L674-Q678 PolarHBondContact O-N 2.96Å
675L87.8Confident75.4Confident94 Ų94121.8 Ų121.849%0.49260%0.603SS.*Hα-helixtrans-70.4-34.9174.3-73.2169.5000112.2Q671 A672 Q678 K679Q671-L675 WeakPolarHBondContact O-CB 3.31Å; Q671-L675 VanDerWaalsContact O-CG 3.3Å; Q671-L675 WeakPolarHBondContact O-CG 3.49Å; Q671-L675 PolarHBondContact O-N 3.07Å; A672-L675 PolarHBondContact O-N 3.39Å; L675-Q678 PolarHBondContact O-N 3.37Å; L675-K679 WeakPolarHBondContact O-CB 3.31Å; L675-K679 VanDerWaalsContact O-CG 3.32Å; L675-K679 WeakPolarHBondContact O-CG 3.18Å; L675-K679 PolarHBondContact O-N 3.01Å
676A87.6Confident72.9Confident49 Ų49126.3 Ų126.341%0.40562%0.624SS.*Hα-helixtrans-63.9-50.1171.400000110A672 E673 Q678 K679 T680A672-A676 VanDerWaalsContact O-CB 3.29Å; A672-A676 WeakPolarHBondContact O-CB 3.29Å; A672-A676 PolarHBondContact O-N 2.97Å; E673-A676 PolarHBondContact O-N 3.06Å; A676-Q678 PolarHBondContact O-N 3.35Å; A676-K679 CarbonylContact O-C 3.54Å; A676-K679 WeakPolarHBondContact O-CA 3.44Å; A676-K679 PolarHBondContact O-N 3.04Å; A676-T680 WeakPolarHBondContact O-CG2 3.42Å; A676-T680 PolarHBondContact O-N 2.78Å; A676-T680 PolarHBondContact O-OG1 2.77Å
677L84.3Confident70.3Confident93 Ų93130.6 Ų130.649%0.48764%0.64SS.*Hα-helixtrans-61-28.7174.9-70.9170.8000113.3E673 L674 T680 R681E673-L677 HydrophobicContact CG-CD1 4.33Å; E673-L677 WeakPolarHBondContact O-CB 3.43Å; E673-L677 VanDerWaalsContact O-CG 3.29Å; E673-L677 WeakPolarHBondContact O-CG 3.26Å; E673-L677 PolarHBondContact O-N 3.15Å; L674-L677 PolarHBondContact O-N 3.01Å; L677-T680 WeakPolarHBondContact CA-OG1 3.3Å; L677-R681 WeakPolarHBondContact O-CG 3.36Å; L677-R681 PolarHBondContact O-N 2.95Å
678Q78.4Confident67.5Low129 Ų129129.6 Ų129.660%0.60365%0.652SS**Hα-helixtrans-71.8-39.5171.3-173.5177.14.200111.7L674 L675 A676L674-Q678 WeakPolarHBondContact O-CB 3.3Å; L674-Q678 PolarHBondContact O-N 2.96Å; L675-Q678 PolarHBondContact O-N 3.37Å; A676-Q678 PolarHBondContact O-N 3.35Å
679K73.3Confident64.7Low179 Ų179128.8 Ų128.878%0.77866%0.661SS**Hα-helixtrans-77-24.4177.9-71.9176.4178-172.70114L675 A676L675-K679 WeakPolarHBondContact O-CB 3.31Å; L675-K679 VanDerWaalsContact O-CG 3.32Å; L675-K679 WeakPolarHBondContact O-CG 3.18Å; L675-K679 PolarHBondContact O-N 3.01Å; A676-K679 CarbonylContact O-C 3.54Å; A676-K679 WeakPolarHBondContact O-CA 3.44Å; A676-K679 PolarHBondContact O-N 3.04Å
680T58.8Low62.1Low100 Ų100126.8 Ų126.861%0.61367%0.67SS**THydrogen-bonded Turntrans-94.42.4176.163.50000113.2A676 L677 P682A676-T680 WeakPolarHBondContact O-CG2 3.42Å; A676-T680 PolarHBondContact O-N 2.78Å; A676-T680 PolarHBondContact O-OG1 2.77Å; L677-T680 WeakPolarHBondContact CA-OG1 3.3Å; T680-P682 WeakPolarHBondContact O-CD 3.36Å
681R48.7Very low59.3Low189 Ų189128.3 Ų128.371%0.71368%0.684SS**SBendtrans-69121161-81.4167.5-175.9-168.1-0.3107.5L677 S683L677-R681 WeakPolarHBondContact O-CG 3.36Å; L677-R681 PolarHBondContact O-N 2.95Å; R681-S683 PolarHBondContact O-N 3.1Å
682P48.4Very low56.6Low122 Ų122131.7 Ų131.779%0.79270%0.7SS**PPolyproline II helixtrans-59.7138.8169.526.8-33.3000108.8T680 R684T680-P682 WeakPolarHBondContact O-CD 3.36Å; P682-R684 PolarHBondContact O-N 3.2Å
683S39.1Very low53.8Low110 Ų110138.4 Ų138.477%0.76972%0.721SS**PPolyproline II helixtrans-57.1119.8170.546.60000108.9R681 T685R681-S683 PolarHBondContact O-N 3.1Å; S683-T685 PolarHBondContact O-N 3.48Å
684R37.2Very low51.5Low242 Ų242137.1 Ų137.191%0.91373%0.73SS**  trans-65.5101170.6179.8-175.2-179.3-171.30.1107.8P682 E686P682-R684 PolarHBondContact O-N 3.2Å; R684-E686 PolarHBondContact O-N 3.01Å
685T32.5Very low48.6Very low117 Ų117142.7 Ų142.772%0.71874%0.743SS**  trans-50.4130.8171.9-43.20000109.4S683S683-T685 PolarHBondContact O-N 3.48Å
686E36.3Very low45.9Very low183 Ų183145.4 Ų145.486%0.85576%0.758SS**  trans-67.8144.5169-67-159131.200110R684R684-E686 PolarHBondContact O-N 3.01Å
687L34.2Very low43Very low161 Ų161148.8 Ų148.884%0.84378%0.777SS**  trans-112.1142.4164-76.9170.1000107.6
688P35.7Very low41Very low119 Ų119150.8 Ų150.877%0.77380%0.795SS**PPolyproline II helixtrans-69.7153.6-167.628.4-36.1000112.7
689A34.2Very low38.7Very low91 Ų91151.9 Ų151.975%0.75281%0.805SS**PPolyproline II helixtrans-76.2132.9173.900000111.4
690P36.3Very low36.7Very low127 Ų127146.2 Ų146.283%0.82580%0.798SS**PPolyproline II helixtrans-72.3156.5163.632.1-33.6000110.6
691Q32.8Very low35.4Very low197 Ų197148.8 Ų148.892%0.92180%0.803SS**PPolyproline II helixtrans-85.2171.9-169.4-70.1178.8-63.600114.5
692Q34.7Very low34.7Very low184 Ų184146.7 Ų146.786%0.8680%0.801SS**PPolyproline II helixtrans-66148.7-173.5-54.815912.600113.3
693E27.9Very low33.8Very low202 Ų202145.7 Ų145.794%0.94480%0.797SS**  trans-121.8148.3133.3-72.8-159.4141.900109
694A41.1Very low33.2Very low87 Ų87150.5 Ų150.572%0.71980%0.799SS**  trans-100.9160.7-172.100000112.3
695R32.3Very low33Very low222 Ų222144.6 Ų144.684%0.83879%0.789SS**  176129.2120.9-83.4-101179.7-174.90112.7
696L30.3Very low33Very low151 Ų151144.4 Ų144.479%0.79179%0.793SS**  trans64.2117.9145.8-56.7171.5000120.8
697C26.8Very low33.4Very low119 Ų119140.7 Ų140.780%0.80479%0.785SS**  trans-80.4167.7150.7-52.40000110.7
698P42.4Very low33.1Very low135 Ų135138.8 Ų138.888%0.87778%0.78SS**  -129.6-167.7111.238.1-31.5000113.8
699N30.6Very low32.9Very low152 Ų152142.3 Ų142.381%0.81378%0.783SS**  trans-131.2159.2-155.5-175.118.3000113.6
700G29.4Very low32.7Very low61 Ų61147.1 Ų147.163%0.62979%0.787SS**  trans165.7106171.300000110.3
701Q33.2Very low32.4Very low153 Ų153147.1 Ų147.172%0.71578%0.784SS**  63.9135.369.9-62.6-155.8-11.700113.6
702Q33Very low32.3Very low146 Ų146145 Ų14568%0.68278%0.775SS**  cis-166.2145.85.2-124-175.961.800112.1
703S30Very low32Very low100 Ų100141.8 Ų141.870%0.69977%0.772SS**  trans67.1170.614991.60000118.4
704R26.8Very low32Very low212 Ų212135.1 Ų135.180%0.876%0.757SS**  cis-165.2160-21.2-119168.9122.2-1422.7111
705T33.2Very low31.8Very low117 Ų117139.1 Ų139.172%0.71877%0.766SS**  trans51.9122.5152.253.40000123
706S31.1Very low31.7Very low114 Ų114138 Ų13880%0.79777%0.767SS**  trans-71.9158.7148.4-35.90000111
707P45Very low31.7Very low105 Ų105134 Ų13468%0.68276%0.763SS**  -163.9141.889.639.4-17.1000120.4
708T28.7Very low31.9Very low121 Ų121135 Ų13574%0.74276%0.76SS**  trans64.4158.3137.867.80000124.6
709K31Very low31.5Very low193 Ų193136.6 Ų136.684%0.83976%0.759SS**  trans79.2124.8168.6-54.8171.5-171.6174.30114.3
710K29.3Very low31.6Very low191 Ų191135.6 Ų135.683%0.8375%0.754SS**  cis9414234.3-171.2-176.6177.5-168.60111.9
711V30.4Very low31.8Very low127 Ų127137.4 Ų137.477%0.7776%0.757SS**  trans94.7145.8-178.7176.90000112.9
712E30.9Very low31.8Very low154 Ų154136 Ų13672%0.7275%0.754SS**  cis-171.9157.2-38.6-159.4164.6145.700108.1
713S28.9Very low31.7Very low116 Ų116139.5 Ų139.581%0.81176%0.761SS**  trans61.9149.8168.8-63.30000118.1
714G27.4Very low31.7Very low61 Ų61138.2 Ų138.263%0.62976%0.764SS**  cis149.4144.6-10.600000112.8
715L36.3Very low31.9Very low172 Ų172140 Ų14090%0.90177%0.771SS**  trans68.6160.1165.6-53.3-177.5000115.8
716K31.1Very low32Very low199 Ų199139.2 Ų139.287%0.86577%0.77SS**  cis-173.4151.7-24.8173.6179.3-176.5-176.50108.6
717G29.4Very low32.8Very low67 Ų67139.6 Ų139.669%0.69177%0.77SS**  trans98.9127.2-178.900000111.7
718N32.2Very low31.9Very low140 Ų140139.3 Ų139.375%0.74978%0.776SS**  cis74102.710.9-155.197.4000117.1
719I34.6Very low32Very low168 Ų168138 Ų13886%0.86278%0.777SS**  trans-157.6150.3142-101.2154.5000107.5
720D31.2Very low32.1Very low130 Ų130138.2 Ų138.270%0.69578%0.782SS**  trans-103.3-176.7-167-67.6-85.8000114.4
721S35.1Very low32.1Very low100 Ų100135.2 Ų135.270%0.69979%0.785SS**  trans93.1108.4144.7-89.70000122.2
722D31.7Very low32.2Very low123 Ų123137.6 Ų137.666%0.65879%0.787SS**  99.6130.9112.9-89.6-71.3000124
723R30.9Very low32.2Very low219 Ų219139.5 Ų139.583%0.82680%0.797SS**  67.478.6129.5-163177.9-68.8-171.3-4.9121.3
724G31Very low32.2Very low74 Ų74138.5 Ų138.576%0.76380%0.795SS**  72.4148.49500000123.3
725R31.6Very low32.6Very low248 Ų248141 Ų14194%0.93680%0.8SS**  trans90.5121.8161.3-145.9177.8-154.5-93.14.9118.1
726S35.4Very low32.4Very low102 Ų102138.6 Ų138.671%0.71380%0.798SS**  trans-83.2168.8175.1-27.80000112.3
727P46.6Very low32.5Very low122 Ų122134.5 Ų134.579%0.79279%0.794SS**  -155.1172.371.142.8-22.9000119.5
728A26.7Very low33.3Very low98 Ų98136.8 Ų136.881%0.8180%0.797SS**  trans77.4134.814400000124.6
729A30.2Very low33.9Very low93 Ų93135.9 Ų135.977%0.76980%0.799SS**  trans81.993.2142.800000123.4
730Q32.7Very low34.5Very low199 Ų199134 Ų13493%0.9380%0.798SS**  48.1113.6129-61.6-179.8-3.700122.3
731S29.1Very low34.9Very low128 Ų128132.2 Ų132.290%0.89580%0.801SS**  -161.9177.7107-161.20000110.7
732Q34.3Very low35.5Very low176 Ų176136.1 Ų136.182%0.82281%0.813SS**  trans-109.6141.2-162.5-52.5177.613.700114.9
733Q29.2Very low36Very low195 Ų195138.7 Ų138.791%0.91182%0.821SS**  -176169.6111.7-96.5176.67.800111.6
734A30.2Very low36.8Very low94 Ų94137 Ų13778%0.77782%0.819SS**  trans-86.8168.8-161.800000114.8
735P36Very low37.9Very low115 Ų115139.9 Ų139.975%0.74782%0.816SS**  -149.917191.441.1-25.4000117.4
736S30.9Very low38.6Very low120 Ų120132.2 Ų132.284%0.83980%0.799SS**  trans72.3137.8156.4710000120.2
737S34.4Very low39Very low113 Ų113138.2 Ų138.279%0.7981%0.807SS**  trans-118.9133.9-177.747.90000112.6
738P46.4Very low39.3Very low115 Ų115140 Ų14075%0.74781%0.809SS**PPolyproline II helixtrans-84.6164.4161.234.7-32.2000111.3
739P43.8Very low39.8Very low122 Ų122146.9 Ų146.979%0.79281%0.814SS**PPolyproline II helixtrans-70.2153.9-178.428.8-35.9000113.4
740P46.8Very low40.4Very low129 Ų129148.7 Ų148.784%0.83882%0.816SS**PPolyproline II helixtrans-74.4138.5-174.730-35.3000113
741A38.9Very low41Very low92 Ų92144 Ų14476%0.7681%0.811SS**PPolyproline II helixtrans-83.4140.9161.600000109.6
742L48.2Very low42.2Very low181 Ų181146.3 Ų146.395%0.94881%0.808SS**PPolyproline II helixtrans-68.5138179-72.9168.9000111.6
743E42Very low42.9Very low178 Ų178144 Ų14483%0.83281%0.805SS**PPolyproline II helixtrans-78.5145.3-170.5-62.1177.5121.500113.1
744F48.2Very low43.6Very low182 Ų182144 Ų14480%0.79880%0.802SS**  trans-90.2111169.3170.6-96.2000109.3P746F744-P746 HydrophobicContact CD1-CG 4.18Å; F744-P746 HydrophobicContact CE1-CB 4.19Å; F744-P746 HydrophobicContact CE1-CG 4.01Å; F744-P746 WeakPolarHBondContact O-CD 3.2Å
745I53.7Low44.2Very low135 Ų135144.3 Ų144.369%0.69280%0.799SS**  trans-89.2114.7178.4-57.9176.7000109.7Y747I745-Y747 PolarHBondContact O-N 3.25Å
746P46.6Very low44.5Very low88 Ų88146.9 Ų146.957%0.57181%0.806SS**  trans-81.1118.6177.1-6.925.6000110.9F744 L748F744-P746 HydrophobicContact CD1-CG 4.18Å; F744-P746 HydrophobicContact CE1-CB 4.19Å; F744-P746 HydrophobicContact CE1-CG 4.01Å; F744-P746 WeakPolarHBondContact O-CD 3.2Å; P746-L748 PolarHBondContact O-N 3.23Å
747Y44.2Very low44.8Very low227 Ų227148.1 Ų148.189%0.8980%0.803SS**  trans-72.4109.3170.6-102.1-100.1000110.9I745I745-Y747 PolarHBondContact O-N 3.25Å
748L52.5Low46Very low159 Ų159148.2 Ų148.283%0.83280%0.801SS**PPolyproline II helixtrans-91.5143.4164.3-68174.2000109.7P746P746-L748 PolarHBondContact O-N 3.23Å
749R37.5Very low45.5Very low244 Ų244149.9 Ų149.992%0.92180%0.803SS**PPolyproline II helixtrans-81.2116.9170.7-68.1-173.2-179104.6-1.6109.1
750T41.8Very low45.4Very low131 Ų131152.6 Ų152.680%0.80481%0.805SS**PPolyproline II helixtrans-71139.5155.543.40000109
751A46.9Very low45.4Very low100 Ų100152 Ų15283%0.82680%0.802SS**  trans-128.261.4178.900000108.7
752E53.1Low45.5Very low176 Ų176151.8 Ų151.882%0.82280%0.8SS**  trans-119.3138.5179.1-68.2-174.2-175.200109.9
753V49.3Very low44.7Very low127 Ų127151.2 Ų151.277%0.7780%0.797SS**  trans-98120.4-173.2176.10000108.7
754F43.2Very low44.6Very low195 Ų195148.6 Ų148.686%0.85579%0.794SS**  trans-125.7108162.2-109.9-87.8000109.5
755S44.7Very low44.4Very low102 Ų102145.7 Ų145.771%0.71379%0.793SS**  trans-74.2133.3172.4-52.10000109.6
756L40.5Very low43.9Very low168 Ų168145 Ų14588%0.8880%0.798SS**  trans-125.4130.5161.6-73.6174.3000108.2
757D38.9Very low44.5Very low146 Ų146146.3 Ų146.378%0.78181%0.806SS**  trans-96.7132.1-165.5-159.426.5000110.2L759D757-L759 PolarHBondContact O-N 2.81Å
758P58.7Low43.8Very low115 Ų115146.9 Ų146.975%0.74781%0.806SS**  trans-93.982.9-164.735.6-35.1000113.9
759L36.4Very low42.9Very low151 Ų151145.2 Ų145.279%0.79180%0.803SS**  trans-140.6137.8172.1-75.3178.8000114.7D757D757-L759 PolarHBondContact O-N 2.81Å
760E41.5Very low42.9Very low178 Ų178142.3 Ų142.383%0.83280%0.799SS**  trans67.4163160.8-57.2-145.2132.200119.7
761P46.7Very low43.3Very low118 Ų118142.4 Ų142.477%0.76680%0.802SS**  -133.7-175-69.539-21.5000114
762A41.7Very low42.4Very low87 Ų87140.8 Ų140.872%0.71980%0.796SS**  trans-85.7164.2-174.100000115.3
763N30.3Very low42Very low168 Ų168138.4 Ų138.490%0.89880%0.796SS**  trans-162.1142.1154.8-104.7-53.3000113.8
764T41Very low42.6Very low123 Ų123137.8 Ų137.876%0.75579%0.794SS**  trans-135.1149.1172.4-34.50000108.2
765P43.4Very low42.6Very low121 Ų121134.3 Ų134.379%0.78679%0.791SS**  -150.5-178124.828.5-5.4000114.7
766P43Very low42.4Very low122 Ų122133.9 Ų133.979%0.79279%0.793SS**  trans-122.4-112.3-147.826.8-0.6000118.9
767P60Low41.9Very low114 Ų114135.8 Ų135.874%0.7480%0.798SS**  -129.8174.7-123.541.7-23000118.1
768R29.4Very low41.7Very low240 Ų240133 Ų13391%0.90680%0.796SS**  trans-159157.3170.7-86-169.7166.3-165.8-6.4110.9
769T33.4Very low40.4Very low124 Ų124133.8 Ų133.876%0.76180%0.803SS**  cis-168.3157.8-45.217.10000108.9
770H36Very low40.7Very low182 Ų182132 Ų13284%0.84380%0.803SS**  trans-69.5179.9-174.4-59-72.7000116
771P51.5Low40.6Very low133 Ų133129.2 Ų129.286%0.86480%0.801SS**  cis-128.2-153.39.747-29000113.8
772G28.7Very low40.6Very low67 Ų67129.6 Ų129.669%0.69180%0.803SS**  cis-175.7-179.64.300000115.5
773P43.6Very low40.8Very low126 Ų126132 Ų13282%0.81881%0.811SS**  trans-132.3-165.4-165.342.7-26.1000115.8
774P61.1Low41Very low113 Ų113127.1 Ų127.173%0.73480%0.802SS**  -124.2-175.5-50.739.5-22.7000112.2
775P44.8Very low41.2Very low122 Ų122126.5 Ų126.579%0.79280%0.802SS**  -136.2149.985.721.50.2000112.6
776A39.1Very low41.1Very low93 Ų93129 Ų12977%0.76981%0.808SS**  85.485.951.900000115.3
777E30.1Very low41.1Very low208 Ų208131.9 Ų131.997%0.97281%0.811SS**  trans-156.4179.5139.7-127.5179.3-132.100110.5
778A34.6Very low40.4Very low89 Ų89135.3 Ų135.374%0.73681%0.809SS**  trans-122.9171.9-148.800000118
779S31.5Very low41.5Very low130 Ų130127.8 Ų127.891%0.90979%0.787SS**  trans80.7155.8173.781.80000117.8
780S43.4Very low42.5Very low113 Ų113126.3 Ų126.379%0.7978%0.779SS**  trans-140.6144.4-164.459.20000113.2
781P39.4Very low43.5Very low121 Ų121125 Ų12579%0.78678%0.778SS**  trans-113.1156.7148.933.8-24.9000112.6
782P45.6Very low43.4Very low125 Ų125124.7 Ų124.781%0.81277%0.768SS**  trans-88.1167.1-168.235.3-37.3000115
783P46.3Very low44.6Very low137 Ų137125.9 Ų125.989%0.8976%0.755SS**  trans-100.1149.7-167.137.5-35000115.4
784G35.3Very low45.3Very low67 Ų67124 Ų12469%0.69174%0.743SS**  trans-164.3153.2148.500000110.5
785S44.7Very low45Very low109 Ų109126.2 Ų126.276%0.76274%0.744SS**  cis164.7138.1-20.441.30000104.7
786L42.5Very low45.3Very low174 Ų174127.6 Ų127.691%0.91174%0.741SS**  trans140.196.7156.9-79.6162.8000112.3
787H42Very low46.1Very low183 Ų183128 Ų12885%0.84773%0.73SS**  -168.3128.9114.9-156.848.4000107.9
788R44.4Very low47.3Very low185 Ų185124.8 Ų124.870%0.69873%0.727SS**  trans-132.2140.1174.6-121.7-171.8-176.5-165.33.3109.3H793R788-H793 PolarHBondContact NH1-CE1 3.5Å; R788-H793 VanDerWaalsContact NH1-CE1 3.28Å; R788-H793 PolarHBondContact NH1-NE2 2.74Å
789D52.9Low48.2Very low83 Ų83122 Ų12244%0.44471%0.707SS.*  trans-65.9124.1-171.1-167.4-31.7000112.1L791 L792D789-L791 PolarHBondContact O-N 2.89Å; D789-L791 WeakPolarHBondContact OD1-CB 3.34Å; D789-L791 PolarHBondContact OD1-N 3.46Å; D789-L792 PolarHBondContact O-N 3.33Å
790P54.3Low50Low93 Ų93116.5 Ų116.560%0.60467%0.669SS**G310 helixtrans-57.2-25.9175.4-2635.7000114.9L792 H793P790-L792 PolarHBondContact O-N 2.82Å; P790-H793 PolarHBondContact O-N 3.11Å
791L56.6Low51.8Low155 Ų155116.9 Ų116.981%0.81266%0.658SS**G310 helixtrans-68.4-17180-64.9177.4000113.3D789D789-L791 PolarHBondContact O-N 2.89Å; D789-L791 WeakPolarHBondContact OD1-CB 3.34Å; D789-L791 PolarHBondContact OD1-N 3.46Å
792L51.2Low53.8Low126 Ų126119.2 Ų119.266%0.6665%0.651SS**G310 helixtrans-105.7-0.8-179.1-59.8177.9000113.7D789 P790D789-L792 PolarHBondContact O-N 3.33Å; P790-L792 PolarHBondContact O-N 2.82Å
793H53.7Low56Low91 Ų91118.2 Ų118.242%0.42164%0.636SS.*  trans-137.978.7-174.8-76.9-74.4000113.1R788 P790 E795 M796R788-H793 PolarHBondContact NH1-CE1 3.5Å; R788-H793 VanDerWaalsContact NH1-CE1 3.28Å; R788-H793 PolarHBondContact NH1-NE2 2.74Å; P790-H793 PolarHBondContact O-N 3.11Å; H793-E795 PolarHBondContact O-N 2.88Å; H793-E795 VanDerWaalsContact O-N 3.1Å; H793-M796 HydrophobicContact CB-CG 4.12Å; H793-M796 PolarHBondContact O-N 2.64Å; H793-M796 VanDerWaalsContact O-N 3.15Å
794P57Low58.2Low88 Ų88116.2 Ų116.257%0.57161%0.614SS**THydrogen-bonded Turntrans-67.2-8.8-178.128.3-36.1000115S800P794-S800 WeakPolarHBondContact O-CB 3.47Å; P794-S800 PolarHBondContact O-OG 2.87Å
795E55.4Low60.9Low159 Ų159117.3 Ų117.374%0.74360%0.602SS**THydrogen-bonded Turntrans-78.6-23174-59.2-160.1136.700113H793 L797H793-E795 PolarHBondContact O-N 2.88Å; H793-E795 VanDerWaalsContact O-N 3.1Å; E795-L797 PolarHBondContact O-N 2.83Å
796M50.4Low63.2Low150 Ų150115.6 Ų115.674%0.73958%0.583SS**SBendtrans-77.4-5-178.7-69.6-58-54.700114.2H793 P798H793-M796 HydrophobicContact CB-CG 4.12Å; H793-M796 PolarHBondContact O-N 2.64Å; H793-M796 VanDerWaalsContact O-N 3.15Å; M796-P798 WeakPolarHBondContact O-CD 3.36Å
797L56.8Low65.8Low101 Ų101112.8 Ų112.853%0.52957%0.569SS.*SBendtrans-77.7121.6179.6-84.9163.2000111.6E795 G799 S800E795-L797 PolarHBondContact O-N 2.83Å; L797-G799 VanDerWaalsContact C-N 3.27Å; L797-G799 PolarHBondContact O-N 2.82Å; L797-S800 PolarHBondContact O-N 3.07Å
798P54.7Low68.4Low141 Ų141111.4 Ų111.492%0.91656%0.556SS**THydrogen-bonded Turntrans-66.782175.5-2135000111.9M796M796-P798 WeakPolarHBondContact O-CD 3.36Å
799G53.8Low70.9Confident31 Ų31104.1 Ų104.132%0.3254%0.538SS..THydrogen-bonded Turntrans154.9-18.1-166.800000113.7L797 Q801 R802 Q803L797-G799 VanDerWaalsContact C-N 3.27Å; L797-G799 PolarHBondContact O-N 2.82Å; G799-Q801 PolarHBondContact O-N 2.91Å; G799-R802 WeakPolarHBondContact O-CA 3.32Å; G799-R802 WeakPolarHBondContact O-CB 3.24Å; G799-R802 PolarHBondContact O-N 3.26Å; G799-Q803 WeakPolarHBondContact O-CG 3.43Å; G799-Q803 PolarHBondContact O-N 2.82Å
800S68.7Low73Confident15 Ų15104.9 Ų104.911%0.10554%0.542CS..Hα-helixtrans-54.1-49.3-179-163.10000112P794 L797 R802 Q803 Q804P794-S800 WeakPolarHBondContact O-CB 3.47Å; P794-S800 PolarHBondContact O-OG 2.87Å; L797-S800 PolarHBondContact O-N 3.07Å; S800-R802 VanDerWaalsContact C-N 3.33Å; S800-R802 PolarHBondContact O-N 3.35Å; S800-Q803 CarbonylContact O-C 3.57Å; S800-Q803 WeakPolarHBondContact O-CB 3.4Å; S800-Q803 PolarHBondContact O-N 2.91Å; S800-Q804 WeakPolarHBondContact O-CG 3.41Å; S800-Q804 PolarHBondContact O-N 2.98Å; S800-Q804 PolarHBondContact OG-NE2 2.82Å
801Q81.4Confident75Confident120 Ų120103.2 Ų103.256%0.56154%0.536SS*.Hα-helixtrans-53.1-46173.5179.162.123.400113G799 Q803 Q804 E805G799-Q801 PolarHBondContact O-N 2.91Å; Q801-Q803 PolarHBondContact O-N 3.25Å; Q801-Q804 PolarHBondContact O-N 3.27Å; Q801-E805 PolarHBondContact NE2-OE1 2.76Å; Q801-E805 WeakPolarHBondContact O-CB 3.47Å; Q801-E805 WeakPolarHBondContact O-CG 3.18Å; Q801-E805 PolarHBondContact O-N 2.73Å
802R83Confident76.9Confident170 Ų170101.5 Ų101.564%0.64252%0.524SS*.Hα-helixtrans-68.4-35.1178.8-177178.5175.8-83.5-3.1111.8G799 S800 I806G799-R802 WeakPolarHBondContact O-CA 3.32Å; G799-R802 WeakPolarHBondContact O-CB 3.24Å; G799-R802 PolarHBondContact O-N 3.26Å; S800-R802 VanDerWaalsContact C-N 3.33Å; S800-R802 PolarHBondContact O-N 3.35Å; R802-I806 HydrophobicContact CG-CD1 4.15Å; R802-I806 WeakPolarHBondContact O-CB 3.18Å; R802-I806 WeakPolarHBondContact O-CD1 3.26Å; R802-I806 VanDerWaalsContact O-CG1 3.22Å; R802-I806 WeakPolarHBondContact O-CG1 3.46Å; R802-I806 PolarHBondContact O-N 2.94Å
803Q91.8Very high79.1Confident104 Ų104100.9 Ų100.949%0.48652%0.521SS..Hα-helixtrans-69-42.4175.1-70.7164.7-27.100110.9G799 S800 Q801 I806 L807G799-Q803 WeakPolarHBondContact O-CG 3.43Å; G799-Q803 PolarHBondContact O-N 2.82Å; S800-Q803 CarbonylContact O-C 3.57Å; S800-Q803 WeakPolarHBondContact O-CB 3.4Å; S800-Q803 PolarHBondContact O-N 2.91Å; Q801-Q803 PolarHBondContact O-N 3.25Å; Q803-I806 PolarHBondContact O-N 3.13Å; Q803-L807 WeakPolarHBondContact O-CB 3.38Å; Q803-L807 VanDerWaalsContact O-CG 3.28Å; Q803-L807 WeakPolarHBondContact O-CG 3.31Å; Q803-L807 PolarHBondContact O-N 2.89Å
804Q92.3Very high81.1Confident95 Ų95105.4 Ų105.444%0.44453%0.534SS..Hα-helixtrans-62.4-41.5172.9-68.3-179.631.300111.8S800 Q801 L807 R808S800-Q804 WeakPolarHBondContact O-CG 3.41Å; S800-Q804 PolarHBondContact O-N 2.98Å; S800-Q804 PolarHBondContact OG-NE2 2.82Å; Q801-Q804 PolarHBondContact O-N 3.27Å; Q804-L807 PolarHBondContact O-N 2.74Å; Q804-R808 VanDerWaalsContact O-CB 3.26Å; Q804-R808 WeakPolarHBondContact O-CB 3.39Å; Q804-R808 PolarHBondContact O-N 2.79Å
805E90.8Very high83Confident90 Ų90107.4 Ų107.442%0.42154%0.536SS..Hα-helixtrans-63.9-39.9174.1-78.1172.8-167.700112.8Q801 R808 G809Q801-E805 PolarHBondContact NE2-OE1 2.76Å; Q801-E805 WeakPolarHBondContact O-CB 3.47Å; Q801-E805 WeakPolarHBondContact O-CG 3.18Å; Q801-E805 PolarHBondContact O-N 2.73Å; E805-R808 PolarHBondContact O-N 3.48Å; E805-G809 PolarHBondContact O-N 3.35Å
806I94.3Very high85Confident74 Ų74101.6 Ų101.638%0.37952%0.518SS..Hα-helixtrans-64.5-46.6173.3-72.8165000110.6R802 Q803 R808 G809 L810R802-I806 HydrophobicContact CG-CD1 4.15Å; R802-I806 WeakPolarHBondContact O-CB 3.18Å; R802-I806 WeakPolarHBondContact O-CD1 3.26Å; R802-I806 VanDerWaalsContact O-CG1 3.22Å; R802-I806 WeakPolarHBondContact O-CG1 3.46Å; R802-I806 PolarHBondContact O-N 2.94Å; Q803-I806 PolarHBondContact O-N 3.13Å; I806-R808 VanDerWaalsContact C-N 3.34Å; I806-R808 PolarHBondContact O-N 2.99Å; I806-G809 PolarHBondContact O-N 3.34Å; I806-L810 HydrophobicContact CG2-CD1 3.95Å; I806-L810 HydrophobicContact CG2-CG 4.44Å; I806-L810 WeakPolarHBondContact O-CB 3.17Å; I806-L810 VanDerWaalsContact O-CG 3.32Å; I806-L810 WeakPolarHBondContact O-CG 3.19Å; I806-L810 PolarHBondContact O-N 3.33Å
807L96.8Very high87.2Confident115 Ų11599.7 Ų99.760%0.60251%0.511SS*.Hα-helixtrans-63.3-39.2177.4-72.1168.7000111.8Q803 Q804 L810 A811Q803-L807 WeakPolarHBondContact O-CB 3.38Å; Q803-L807 VanDerWaalsContact O-CG 3.28Å; Q803-L807 WeakPolarHBondContact O-CG 3.31Å; Q803-L807 PolarHBondContact O-N 2.89Å; Q804-L807 PolarHBondContact O-N 2.74Å; L807-L810 PolarHBondContact O-N 2.71Å; L807-A811 WeakPolarHBondContact O-CB 3.29Å; L807-A811 PolarHBondContact O-N 2.73Å
808R95.8Very high89.1Confident154 Ų15499.2 Ų99.258%0.58151%0.508SS*.Hα-helixtrans-62.6-43.9172.4-174.5-178.269166.9-2.4111.5Q804 E805 I806 A811 Q812Q804-R808 VanDerWaalsContact O-CB 3.26Å; Q804-R808 WeakPolarHBondContact O-CB 3.39Å; Q804-R808 PolarHBondContact O-N 2.79Å; E805-R808 PolarHBondContact O-N 3.48Å; I806-R808 VanDerWaalsContact C-N 3.34Å; I806-R808 PolarHBondContact O-N 2.99Å; R808-A811 PolarHBondContact O-N 2.76Å; R808-Q812 WeakPolarHBondContact O-CB 3.5Å; R808-Q812 WeakPolarHBondContact O-CG 3.27Å; R808-Q812 PolarHBondContact O-N 3.19Å
809G97.1Very high91Very high32 Ų3297.5 Ų97.533%0.3349%0.488SS..Hα-helixtrans-63.6-40.5175.100000112.8E805 I806 Q812 L813E805-G809 PolarHBondContact O-N 3.35Å; I806-G809 PolarHBondContact O-N 3.34Å; G809-Q812 PolarHBondContact O-N 2.95Å; G809-L813 WeakPolarHBondContact O-CB 3.46Å; G809-L813 PolarHBondContact O-N 3.18Å
810L97.2Very high92.9Very high99 Ų99102 Ų10252%0.51850%0.498SS..Hα-helixtrans-67.9-36.6174.3-70.3171.1000112.2I806 L807 L813 R814I806-L810 HydrophobicContact CG2-CD1 3.95Å; I806-L810 HydrophobicContact CG2-CG 4.44Å; I806-L810 WeakPolarHBondContact O-CB 3.17Å; I806-L810 VanDerWaalsContact O-CG 3.32Å; I806-L810 WeakPolarHBondContact O-CG 3.19Å; I806-L810 PolarHBondContact O-N 3.33Å; L807-L810 PolarHBondContact O-N 2.71Å; L810-L813 PolarHBondContact O-N 2.93Å; L810-R814 WeakPolarHBondContact O-CB 3.42Å; L810-R814 PolarHBondContact O-N 3.49Å
811A95.7Very high94Very high58 Ų58105.9 Ų105.948%0.47952%0.515SS..Hα-helixtrans-66.3-43.6173.900000111.8L807 R808 R814 Q815L807-A811 WeakPolarHBondContact O-CB 3.29Å; L807-A811 PolarHBondContact O-N 2.73Å; R808-A811 PolarHBondContact O-N 2.76Å; A811-R814 PolarHBondContact O-N 2.78Å; A811-Q815 WeakPolarHBondContact O-CB 3.4Å; A811-Q815 PolarHBondContact O-N 3.17Å
812Q96.9Very high94.5Very high118 Ų118107 Ų10755%0.55152%0.518SS*.Hα-helixtrans-62.1-42.4172.9-73.8173.6-12.200111.8R808 G809 Q815 G816R808-Q812 WeakPolarHBondContact O-CB 3.5Å; R808-Q812 WeakPolarHBondContact O-CG 3.27Å; R808-Q812 PolarHBondContact O-N 3.19Å; G809-Q812 PolarHBondContact O-N 2.95Å; Q812-Q815 PolarHBondContact O-N 3.3Å; Q812-G816 PolarHBondContact O-N 2.95Å
813L97.6Very high94.9Very high114 Ų114101.6 Ų101.660%0.59750%0.5SS*.Hα-helixtrans-63.8-44175.4-176.462.2000111.5G809 L810 Q815 G816 L817G809-L813 WeakPolarHBondContact O-CB 3.46Å; G809-L813 PolarHBondContact O-N 3.18Å; L810-L813 PolarHBondContact O-N 2.93Å; L813-Q815 VanDerWaalsContact C-N 3.35Å; L813-Q815 PolarHBondContact O-N 2.99Å; L813-G816 PolarHBondContact O-N 2.99Å; L813-L817 VanDerWaalsContact O-CB 3.26Å; L813-L817 WeakPolarHBondContact O-CB 3.44Å; L813-L817 PolarHBondContact O-N 3.46Å
814R96.1Very high94.8Very high186 Ų186101.7 Ų101.770%0.70250%0.503SS*.Hα-helixtrans-60.4-42.7174.3-178.1-178.8177.9-168.9-0.4111.6L810 A811 L817 L818L810-R814 WeakPolarHBondContact O-CB 3.42Å; L810-R814 PolarHBondContact O-N 3.49Å; A811-R814 PolarHBondContact O-N 2.78Å; R814-L817 PolarHBondContact O-N 2.89Å; R814-L818 HydrophobicContact CG-CD1 4.02Å; R814-L818 WeakPolarHBondContact O-CB 3.5Å; R814-L818 WeakPolarHBondContact O-CG 3.45Å; R814-L818 PolarHBondContact O-N 2.84Å
815Q96.5Very high94.4Very high130 Ų130101 Ų10161%0.60750%0.5SS*.Hα-helixtrans-62.5-48.2176.1-175.7-178.49.500111.3A811 Q812 L813 L817 L818 Q819A811-Q815 WeakPolarHBondContact O-CB 3.4Å; A811-Q815 PolarHBondContact O-N 3.17Å; Q812-Q815 PolarHBondContact O-N 3.3Å; L813-Q815 VanDerWaalsContact C-N 3.35Å; L813-Q815 PolarHBondContact O-N 2.99Å; Q815-L817 VanDerWaalsContact C-N 3.34Å; Q815-L817 PolarHBondContact O-N 2.72Å; Q815-L818 PolarHBondContact O-N 3.3Å; Q815-Q819 WeakPolarHBondContact O-CB 3.39Å; Q815-Q819 PolarHBondContact O-N 2.72Å
816G97.3Very high93.7Very high36 Ų36100 Ų10037%0.37150%0.5SS..Hα-helixtrans-63.8-36.9177.600000113.2Q812 L813 Q819 K820Q812-G816 PolarHBondContact O-N 2.95Å; L813-G816 PolarHBondContact O-N 2.99Å; G816-Q819 PolarHBondContact O-N 3.21Å; G816-K820 WeakPolarHBondContact O-CB 3.45Å; G816-K820 WeakPolarHBondContact O-CG 3.08Å; G816-K820 PolarHBondContact O-N 3.08Å
817L97.4Very high92.7Very high111 Ų111101.6 Ų101.658%0.58151%0.51SS*.Hα-helixtrans-73-42.2178.6-158.3158.6000111.5L813 R814 Q815 Q819 K820 Q821L813-L817 VanDerWaalsContact O-CB 3.26Å; L813-L817 WeakPolarHBondContact O-CB 3.44Å; L813-L817 PolarHBondContact O-N 3.46Å; R814-L817 PolarHBondContact O-N 2.89Å; Q815-L817 VanDerWaalsContact C-N 3.34Å; Q815-L817 PolarHBondContact O-N 2.72Å; L817-Q819 VanDerWaalsContact C-N 3.32Å; L817-Q819 PolarHBondContact O-N 2.98Å; L817-K820 PolarHBondContact O-N 3.46Å; L817-Q821 PolarHBondContact O-N 3.48Å
818L96.4Very high91.3Very high90 Ų90101.3 Ų101.347%0.47151%0.508SS..Hα-helixtrans-62.2-37.8170.1-78.2170000112.1R814 Q815 Q821 K822R814-L818 HydrophobicContact CG-CD1 4.02Å; R814-L818 WeakPolarHBondContact O-CB 3.5Å; R814-L818 WeakPolarHBondContact O-CG 3.45Å; R814-L818 PolarHBondContact O-N 2.84Å; Q815-L818 PolarHBondContact O-N 3.3Å; L818-Q821 PolarHBondContact O-N 3.05Å; L818-K822 WeakPolarHBondContact O-CB 3.35Å; L818-K822 PolarHBondContact O-N 3.37Å
819Q93.7Very high89.7Confident106 Ų10698.6 Ų98.650%0.49550%0.501SS..Hα-helixtrans-67.9-40.9175.1-171.4176.2-39.100111.3Q815 G816 L817 K822 E823Q815-Q819 WeakPolarHBondContact O-CB 3.39Å; Q815-Q819 PolarHBondContact O-N 2.72Å; G816-Q819 PolarHBondContact O-N 3.21Å; L817-Q819 VanDerWaalsContact C-N 3.32Å; L817-Q819 PolarHBondContact O-N 2.98Å; Q819-K822 WeakPolarHBondContact O-CB 3.26Å; Q819-K822 PolarHBondContact O-N 3.32Å; Q819-E823 WeakPolarHBondContact CG-OE1 3.33Å; Q819-E823 PolarHBondContact NE2-OE1 3Å; Q819-E823 WeakPolarHBondContact O-CB 3.33Å; Q819-E823 WeakPolarHBondContact O-CG 3.5Å; Q819-E823 PolarHBondContact O-N 3.38Å
820K94.3Very high88Confident125 Ų125101 Ų10154%0.54351%0.51SS..Hα-helixtrans-65.4-35.9173.4-77.7-73.5164.3-158.10113G816 L817 E823 L824G816-K820 WeakPolarHBondContact O-CB 3.45Å; G816-K820 WeakPolarHBondContact O-CG 3.08Å; G816-K820 PolarHBondContact O-N 3.08Å; L817-K820 PolarHBondContact O-N 3.46Å; K820-E823 WeakPolarHBondContact CD-OE2 3.39Å; K820-E823 VanDerWaalsContact CE-OE2 3.24Å; K820-E823 WeakPolarHBondContact CE-OE2 3.46Å; K820-E823 IonicContact NZ-OE2 2.75Å; K820-E823 PolarHBondContact NZ-OE2 3.31Å; K820-L824 WeakPolarHBondContact O-CB 3.42Å; K820-L824 VanDerWaalsContact O-CG 3.3Å; K820-L824 WeakPolarHBondContact O-CG 3.23Å; K820-L824 PolarHBondContact O-N 3.25Å
821Q91.8Very high86.1Confident97 Ų9799.3 Ų99.345%0.45350%0.504SS..Hα-helixtrans-61.2-47.4169.1-178.8-174.8-25.900110.6L817 L818 E823 L824 E825L817-Q821 PolarHBondContact O-N 3.48Å; L818-Q821 PolarHBondContact O-N 3.05Å; Q821-E823 PolarHBondContact O-N 2.95Å; Q821-L824 PolarHBondContact O-N 2.79Å; Q821-E825 HydrophobicContact CG-CG 4.48Å; Q821-E825 PolarHBondContact NE2-OE1 2.84Å; Q821-E825 WeakPolarHBondContact O-CB 3.24Å; Q821-E825 WeakPolarHBondContact O-CG 3.44Å; Q821-E825 PolarHBondContact O-N 2.95Å
822K90.8Very high84.3Confident142 Ų142104.5 Ų104.562%0.61751%0.511SS*.Hα-helixtrans-61.4-41.6178.5-174.9176.9178.9178.60112.4L818 Q819 E825 T826L818-K822 WeakPolarHBondContact O-CB 3.35Å; L818-K822 PolarHBondContact O-N 3.37Å; Q819-K822 WeakPolarHBondContact O-CB 3.26Å; Q819-K822 PolarHBondContact O-N 3.32Å; K822-E825 PolarHBondContact O-N 2.92Å; K822-T826 PolarHBondContact O-N 3.16Å; K822-T826 PolarHBondContact O-OG1 3.07Å; K822-T826 VanDerWaalsContact O-OG1 3.08Å
823E92.3Very high82.6Confident58 Ų58103.4 Ų103.427%0.27151%0.509SS..Hα-helixtrans-61.1-51.3175-73.9167.8-162.100110.8Q819 K820 Q821 E825 T826 D827Q819-E823 WeakPolarHBondContact CG-OE1 3.33Å; Q819-E823 PolarHBondContact NE2-OE1 3Å; Q819-E823 WeakPolarHBondContact O-CB 3.33Å; Q819-E823 WeakPolarHBondContact O-CG 3.5Å; Q819-E823 PolarHBondContact O-N 3.38Å; K820-E823 WeakPolarHBondContact CD-OE2 3.39Å; K820-E823 VanDerWaalsContact CE-OE2 3.24Å; K820-E823 WeakPolarHBondContact CE-OE2 3.46Å; K820-E823 IonicContact NZ-OE2 2.75Å; K820-E823 PolarHBondContact NZ-OE2 3.31Å; Q821-E823 PolarHBondContact O-N 2.95Å; E823-E825 VanDerWaalsContact C-N 3.31Å; E823-E825 PolarHBondContact O-N 2.82Å; E823-T826 WeakPolarHBondContact CA-OG1 3.38Å; E823-T826 PolarHBondContact O-N 3.3Å; E823-T826 PolarHBondContact O-OG1 2.79Å; E823-D827 PolarHBondContact O-N 3.05Å
824L89.4Confident80.9Confident106 Ų106106.1 Ų106.156%0.55551%0.511SS*.Hα-helixtrans-61-37.8175.7-70.5171000112.5K820 Q821 D827 L828K820-L824 WeakPolarHBondContact O-CB 3.42Å; K820-L824 VanDerWaalsContact O-CG 3.3Å; K820-L824 WeakPolarHBondContact O-CG 3.23Å; K820-L824 PolarHBondContact O-N 3.25Å; Q821-L824 PolarHBondContact O-N 2.79Å; L824-D827 PolarHBondContact O-N 2.8Å; L824-L828 VanDerWaalsContact O-CB 3.22Å; L824-L828 WeakPolarHBondContact O-CB 3.42Å; L824-L828 WeakPolarHBondContact O-CD1 3.41Å; L824-L828 WeakPolarHBondContact O-CG 3.39Å; L824-L828 PolarHBondContact O-N 2.87Å
825E84.7Confident79.3Confident79 Ų79104.4 Ų104.437%0.36951%0.505SS..Hα-helixtrans-66.4-37.3173.1-79.1-177.6-149.400112.7Q821 K822 E823 K829Q821-E825 HydrophobicContact CG-CG 4.48Å; Q821-E825 PolarHBondContact NE2-OE1 2.84Å; Q821-E825 WeakPolarHBondContact O-CB 3.24Å; Q821-E825 WeakPolarHBondContact O-CG 3.44Å; Q821-E825 PolarHBondContact O-N 2.95Å; K822-E825 PolarHBondContact O-N 2.92Å; E823-E825 VanDerWaalsContact C-N 3.31Å; E823-E825 PolarHBondContact O-N 2.82Å; E825-K829 WeakPolarHBondContact O-CB 3.47Å; E825-K829 WeakPolarHBondContact O-CD 3.41Å; E825-K829 WeakPolarHBondContact O-CG 3.21Å; E825-K829 PolarHBondContact O-N 3.5Å; E825-K829 IonicContact OE2-NZ 2.81Å; E825-K829 PolarHBondContact OE2-NZ 3.47Å; E825-K829 VanDerWaalsContact OE2-NZ 3.15Å
826T74.9Confident77.9Confident69 Ų69101.3 Ų101.342%0.42349%0.493SS..Hα-helixtrans-70-33.9174.544.80000112.4K822 E823 P830K822-T826 PolarHBondContact O-N 3.16Å; K822-T826 PolarHBondContact O-OG1 3.07Å; K822-T826 VanDerWaalsContact O-OG1 3.08Å; E823-T826 WeakPolarHBondContact CA-OG1 3.38Å; E823-T826 PolarHBondContact O-N 3.3Å; E823-T826 PolarHBondContact O-OG1 2.79Å; T826-P830 WeakPolarHBondContact O-CD 3.24Å
827D74.7Confident76.3Confident109 Ų109104.3 Ų104.358%0.58350%0.5SS*.Hα-helixtrans-75-32176.8-62.6-15.5000111.8E823 L824 P830E823-D827 PolarHBondContact O-N 3.05Å; L824-D827 PolarHBondContact O-N 2.8Å; D827-P830 WeakPolarHBondContact O-CD 3.45Å; D827-P830 WeakPolarHBondContact O-CG 3.49Å
828L67.6Low75.1Confident108 Ų108103.2 Ų103.257%0.56549%0.492SS*.Hα-helixtrans-82-25.9175.8-71.1169.1000113.5L824 V831 R832L824-L828 VanDerWaalsContact O-CB 3.22Å; L824-L828 WeakPolarHBondContact O-CB 3.42Å; L824-L828 WeakPolarHBondContact O-CD1 3.41Å; L824-L828 WeakPolarHBondContact O-CG 3.39Å; L824-L828 PolarHBondContact O-N 2.87Å; L828-V831 PolarHBondContact O-N 3.32Å; L828-V831 VanDerWaalsContact O-N 3.15Å; L828-R832 WeakPolarHBondContact O-CB 3.43Å; L828-R832 PolarHBondContact O-N 2.89Å
829K61.2Low73.6Confident98 Ų98104.9 Ų104.943%0.42650%0.497SS..Hα-helixtrans-54.5-47.1177-87.8157.2-165.7157.60114.2E825 V831 R832 N833E825-K829 WeakPolarHBondContact O-CB 3.47Å; E825-K829 WeakPolarHBondContact O-CD 3.41Å; E825-K829 WeakPolarHBondContact O-CG 3.21Å; E825-K829 PolarHBondContact O-N 3.5Å; E825-K829 IonicContact OE2-NZ 2.81Å; E825-K829 PolarHBondContact OE2-NZ 3.47Å; E825-K829 VanDerWaalsContact OE2-NZ 3.15Å; K829-V831 VanDerWaalsContact C-N 3.34Å; K829-V831 PolarHBondContact O-N 3.21Å; K829-R832 PolarHBondContact O-N 3.19Å; K829-N833 VanDerWaalsContact O-CB 3.31Å; K829-N833 WeakPolarHBondContact O-CB 3.5Å; K829-N833 PolarHBondContact O-N 3.32Å; K829-N833 PolarHBondContact O-OD1 3.04Å
830P61.7Low72.3Confident81 Ų81108.1 Ų108.153%0.52651%0.505SS..Hα-helixtrans-64.8-35.6174.925-34000112.7T826 D827 R834T826-P830 WeakPolarHBondContact O-CD 3.24Å; D827-P830 WeakPolarHBondContact O-CD 3.45Å; D827-P830 WeakPolarHBondContact O-CG 3.49Å; P830-R834 WeakPolarHBondContact O-CB 3.48Å; P830-R834 PolarHBondContact O-N 2.94Å
831V58Low70.9Confident65 Ų65105 Ų10539%0.39450%0.503SS..Hα-helixtrans-68.9-40.7177.8-177.70000111.4L828 K829 R835L828-V831 PolarHBondContact O-N 3.32Å; L828-V831 VanDerWaalsContact O-N 3.15Å; K829-V831 VanDerWaalsContact C-N 3.34Å; K829-V831 PolarHBondContact O-N 3.21Å; V831-R835 PolarHBondContact O-N 3.46Å
832R57.9Low69.5Low166 Ų166105.7 Ų105.763%0.62651%0.509SS*.Hα-helixtrans-67.5-51.2175.8179.9170.5177.6166.30.7111.2L828 K829 R834 R835 D836L828-R832 WeakPolarHBondContact O-CB 3.43Å; L828-R832 PolarHBondContact O-N 2.89Å; K829-R832 PolarHBondContact O-N 3.19Å; R832-R834 PolarHBondContact O-N 3.5Å; R832-R834 VanDerWaalsContact O-N 3.15Å; R832-R835 PolarHBondContact O-N 3.13Å; R832-D836 WeakPolarHBondContact CG-OD2 3.25Å; R832-D836 IonicContact NE-OD2 2.74Å; R832-D836 PolarHBondContact NE-OD2 2.73Å; R832-D836 WeakPolarHBondContact O-CB 3.21Å; R832-D836 VanDerWaalsContact O-CG 3.25Å; R832-D836 PolarHBondContact O-N 3.31Å
833N60.3Low68.2Low95 Ų95102.6 Ų102.651%0.50851%0.505SS..Hα-helixtrans-57.1-32.8176.9-69.60.4000112.1K829 N837K829-N833 VanDerWaalsContact O-CB 3.31Å; K829-N833 WeakPolarHBondContact O-CB 3.5Å; K829-N833 PolarHBondContact O-N 3.32Å; K829-N833 PolarHBondContact O-OD1 3.04Å; N833-N837 WeakPolarHBondContact O-CB 3.28Å; N833-N837 PolarHBondContact O-N 3.13Å
834R61.6Low66.6Low172 Ų172102.7 Ų102.765%0.64952%0.516SS*.Hα-helixtrans-65.5-49.8173.6-161.3-169.8179.3156.814.4111.9P830 R832 D836 N837 E838P830-R834 WeakPolarHBondContact O-CB 3.48Å; P830-R834 PolarHBondContact O-N 2.94Å; R832-R834 PolarHBondContact O-N 3.5Å; R832-R834 VanDerWaalsContact O-N 3.15Å; R834-D836 PolarHBondContact O-N 3.3Å; R834-N837 PolarHBondContact O-N 2.8Å; R834-E838 WeakPolarHBondContact CD-OE1 3.35Å; R834-E838 WeakPolarHBondContact CG-OE1 3.08Å; R834-E838 IonicContact CZ-OE1 3.46Å; R834-E838 IonicContact NE-OE1 3.15Å; R834-E838 PolarHBondContact NE-OE1 2.65Å; R834-E838 WeakPolarHBondContact O-CB 3.49Å; R834-E838 VanDerWaalsContact O-CG 3.27Å; R834-E838 WeakPolarHBondContact O-CG 3.49Å; R834-E838 PolarHBondContact O-N 3.26Å
835R63.4Low65.1Low150 Ų150100.6 Ų100.657%0.56651%0.514SS*.Hα-helixtrans-62.8-40.5176.3-69.9-177.7-172.4140.52.6112.7V831 R832 N837 E838 Q839V831-R835 PolarHBondContact O-N 3.46Å; R832-R835 PolarHBondContact O-N 3.13Å; R835-N837 VanDerWaalsContact C-N 3.31Å; R835-N837 PolarHBondContact O-N 3.32Å; R835-E838 PolarHBondContact O-N 3.46Å; R835-Q839 WeakPolarHBondContact O-CB 3.47Å; R835-Q839 WeakPolarHBondContact O-CG 3.36Å; R835-Q839 PolarHBondContact O-N 2.93Å
836D66Low63.7Low65 Ų65104.8 Ų104.835%0.34853%0.533SS..Hα-helixtrans-67.4-34.4-179.5-63.3-5.4000110.3R832 R834 R840R832-D836 WeakPolarHBondContact CG-OD2 3.25Å; R832-D836 IonicContact NE-OD2 2.74Å; R832-D836 PolarHBondContact NE-OD2 2.73Å; R832-D836 WeakPolarHBondContact O-CB 3.21Å; R832-D836 VanDerWaalsContact O-CG 3.25Å; R832-D836 PolarHBondContact O-N 3.31Å; R834-D836 PolarHBondContact O-N 3.3Å; D836-R840 WeakPolarHBondContact O-CB 3.35Å; D836-R840 PolarHBondContact O-N 3.5Å
837N64.9Low62.6Low99 Ų99112.5 Ų112.553%0.52955%0.554SS.*Hα-helixtrans-73-39.3169.4-85.8-15.8000113.3N833 R834 R835 R840 A841N833-N837 WeakPolarHBondContact O-CB 3.28Å; N833-N837 PolarHBondContact O-N 3.13Å; R834-N837 PolarHBondContact O-N 2.8Å; R835-N837 VanDerWaalsContact C-N 3.31Å; R835-N837 PolarHBondContact O-N 3.32Å; N837-R840 PolarHBondContact O-N 3.02Å; N837-A841 WeakPolarHBondContact O-CB 3.24Å; N837-A841 PolarHBondContact O-N 2.85Å
838E70.4Confident61.2Low88 Ų88115.9 Ų115.941%0.41158%0.579SS.*Hα-helixtrans-62.5-43.1175.4-74.8161.7179.500110.7R834 R835 A841 L842R834-E838 WeakPolarHBondContact CD-OE1 3.35Å; R834-E838 WeakPolarHBondContact CG-OE1 3.08Å; R834-E838 IonicContact CZ-OE1 3.46Å; R834-E838 IonicContact NE-OE1 3.15Å; R834-E838 PolarHBondContact NE-OE1 2.65Å; R834-E838 WeakPolarHBondContact O-CB 3.49Å; R834-E838 VanDerWaalsContact O-CG 3.27Å; R834-E838 WeakPolarHBondContact O-CG 3.49Å; R834-E838 PolarHBondContact O-N 3.26Å; R835-E838 PolarHBondContact O-N 3.46Å; E838-A841 PolarHBondContact O-N 3.26Å; E838-L842 VanDerWaalsContact O-CG 3.29Å; E838-L842 WeakPolarHBondContact O-CG 3.19Å; E838-L842 PolarHBondContact O-N 3.44Å
839Q65.3Low60.8Low124 Ų124116.3 Ų116.358%0.57958%0.58SS**Hα-helixtrans-64.6-38.7172.5-73.1-178.9-5.800112.6R835 S843R835-Q839 WeakPolarHBondContact O-CB 3.47Å; R835-Q839 WeakPolarHBondContact O-CG 3.36Å; R835-Q839 PolarHBondContact O-N 2.93Å; Q839-S843 VanDerWaalsContact O-CB 3.31Å; Q839-S843 WeakPolarHBondContact O-CB 3.28Å; Q839-S843 PolarHBondContact O-N 3.38Å; Q839-S843 PolarHBondContact O-OG 3.04Å
840R66.6Low60.8Low174 Ų174117.2 Ų117.266%0.65759%0.588SS**Hα-helixtrans-66.6-38.7174.8-174.2176-70.4160.4-3.2112.3D836 N837 S843 A844D836-R840 WeakPolarHBondContact O-CB 3.35Å; D836-R840 PolarHBondContact O-N 3.5Å; N837-R840 PolarHBondContact O-N 3.02Å; R840-S843 PolarHBondContact O-N 3.34Å; R840-A844 PolarHBondContact O-N 3.32Å
841A64.3Low60.8Low61 Ų61119.2 Ų119.250%0.50459%0.591SS.*Hα-helixtrans-66.2-45.3175.300000111.7N837 E838 S843 A844 A845N837-A841 WeakPolarHBondContact O-CB 3.24Å; N837-A841 PolarHBondContact O-N 2.85Å; E838-A841 PolarHBondContact O-N 3.26Å; A841-S843 VanDerWaalsContact C-N 3.31Å; A841-S843 PolarHBondContact O-N 3.47Å; A841-A844 PolarHBondContact O-N 3.28Å; A841-A845 PolarHBondContact O-N 3.05Å
842L64.1Low60.9Low111 Ų111122.4 Ų122.458%0.58160%0.603SS**Hα-helixtrans-62.2-38173.5-69.4167.9000112.1E838 A844 A845 H846E838-L842 VanDerWaalsContact O-CG 3.29Å; E838-L842 WeakPolarHBondContact O-CG 3.19Å; E838-L842 PolarHBondContact O-N 3.44Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 3.24Å; L842-A845 PolarHBondContact O-N 3.12Å; L842-H846 PolarHBondContact O-CD2 3.38Å; L842-H846 PolarHBondContact O-N 3.47Å
843S63Low61.1Low77 Ų77119.7 Ų119.754%0.53860%0.602SS.*Hα-helixtrans-68.7-27.8175.5-56.70000113.2Q839 R840 A841Q839-S843 VanDerWaalsContact O-CB 3.31Å; Q839-S843 WeakPolarHBondContact O-CB 3.28Å; Q839-S843 PolarHBondContact O-N 3.38Å; Q839-S843 PolarHBondContact O-OG 3.04Å; R840-S843 PolarHBondContact O-N 3.34Å; A841-S843 VanDerWaalsContact C-N 3.31Å; A841-S843 PolarHBondContact O-N 3.47Å
844A59.4Low61.2Low59 Ų59121.3 Ų121.349%0.48861%0.608SS.*Hα-helixtrans-76.6-41.717300000111.7R840 A841 L842 H846 R847R840-A844 PolarHBondContact O-N 3.32Å; A841-A844 PolarHBondContact O-N 3.28Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 3.24Å; A844-H846 PolarHBondContact O-N 2.86Å; A844-R847 PolarHBondContact O-N 3.12Å
845A57.6Low61.2Low63 Ų63117.7 Ų117.752%0.52161%0.605SS.*Hα-helixtrans-65.6-15.617700000114.1A841 L842A841-A845 PolarHBondContact O-N 3.05Å; L842-A845 PolarHBondContact O-N 3.12Å
846H53.8Low61Low167 Ų167115.2 Ų115.277%0.77361%0.608SS**THydrogen-bonded Turntrans-93.411.8170.9-83.9-64.9000114L842 A844L842-H846 PolarHBondContact O-CD2 3.38Å; L842-H846 PolarHBondContact O-N 3.47Å; A844-H846 PolarHBondContact O-N 2.86Å
847R52.4Low60.6Low230 Ų230119.4 Ų119.487%0.86863%0.63SS**  trans-121.818.1175.1-75.3-168.8170.5-155.1-1.7113.8A844A844-R847 PolarHBondContact O-N 3.12Å
848T45Very low60.2Low180 Ų180121.3 Ų121.3100%1.10464%0.639SS**  trans-126.70171.853.90000108.9

Retrieved 848 of 848 residues in 513.5 ms (Link to these results)