A0A087YGI6_POEFO Loading...

Protein phosphatase 1 regulatory subunit

AlphaFold DB , UniProt , Accession A0A087YGI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 711 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
1M46.7Very low65Low219 Ų219117.9 Ų117.9100%1.07959%0.591SS**  09.10-64.4-168.9-17900113.5D3 T4M1-D3 PolarHBondContact O-N 2.84Å; M1-T4 PolarHBondContact O-OG1 3.48Å
2G54.9Low65.6Low40 Ų40117.7 Ų117.741%0.41259%0.587SS.*THydrogen-bonded Turntrans-66-36-164.500000116.2T4 A5 K6G2-T4 VanDerWaalsContact C-N 3.28Å; G2-T4 PolarHBondContact O-N 3.23Å; G2-A5 WeakPolarHBondContact O-CA 3.35Å; G2-A5 WeakPolarHBondContact O-CB 3.42Å; G2-A5 PolarHBondContact O-N 3.42Å; G2-K6 PolarHBondContact O-N 2.93Å
3D57.8Low65.9Low125 Ų125115.4 Ų115.467%0.66858%0.577SS**Hα-helixtrans-64.4-34.7-169.6-40.9-63000112.4M1 A5 K6 T7M1-D3 PolarHBondContact O-N 2.84Å; D3-A5 PolarHBondContact O-N 3.06Å; D3-K6 PolarHBondContact O-N 2.89Å; D3-T7 WeakPolarHBondContact O-CB 3.49Å; D3-T7 VanDerWaalsContact O-CG2 3.32Å; D3-T7 WeakPolarHBondContact O-CG2 3.47Å; D3-T7 PolarHBondContact O-N 2.78Å; D3-T7 PolarHBondContact O-OG1 3.5Å
4T59Low66.5Low84 Ų84119.4 Ų119.452%0.51559%0.589SS.*Hα-helixtrans-73.3-8.5175.872.80000113.6M1 G2 T7 K8M1-T4 PolarHBondContact O-OG1 3.48Å; G2-T4 VanDerWaalsContact C-N 3.28Å; G2-T4 PolarHBondContact O-N 3.23Å; T4-T7 WeakPolarHBondContact CA-OG1 3.45Å; T4-K8 WeakPolarHBondContact O-CD 3.48Å; T4-K8 WeakPolarHBondContact O-CE 3.43Å; T4-K8 WeakPolarHBondContact O-CG 3.33Å; T4-K8 PolarHBondContact O-NZ 3.06Å
5A62.7Low66.3Low58 Ų58124.3 Ų124.348%0.47960%0.598SS.*Hα-helixtrans-98-47.516900000111G2 D3 T7 K8 R9G2-A5 WeakPolarHBondContact O-CA 3.35Å; G2-A5 WeakPolarHBondContact O-CB 3.42Å; G2-A5 PolarHBondContact O-N 3.42Å; D3-A5 PolarHBondContact O-N 3.06Å; A5-T7 VanDerWaalsContact C-N 3.31Å; A5-T7 PolarHBondContact O-N 3.02Å; A5-K8 PolarHBondContact O-N 2.86Å; A5-R9 PolarHBondContact O-N 2.88Å
6K68.6Low65.6Low115 Ų115127.6 Ų127.650%0.560%0.603SS.*Hα-helixtrans-54.9-45.3174.8-69.6-168.3175.4-172.40110.9G2 D3 R9 R10G2-K6 PolarHBondContact O-N 2.93Å; D3-K6 PolarHBondContact O-N 2.89Å; K6-R9 PolarHBondContact O-N 3.2Å; K6-R10 PolarHBondContact O-N 2.97Å; K6-R10 VanDerWaalsContact O-N 3.09Å
7T72.5Confident64.4Low84 Ų84124.9 Ų124.952%0.51561%0.607SS.*Hα-helixtrans-62.9-46.3174.549.40000113.8D3 T4 A5 R9 R10 E11D3-T7 WeakPolarHBondContact O-CB 3.49Å; D3-T7 VanDerWaalsContact O-CG2 3.32Å; D3-T7 WeakPolarHBondContact O-CG2 3.47Å; D3-T7 PolarHBondContact O-N 2.78Å; D3-T7 PolarHBondContact O-OG1 3.5Å; T4-T7 WeakPolarHBondContact CA-OG1 3.45Å; A5-T7 VanDerWaalsContact C-N 3.31Å; A5-T7 PolarHBondContact O-N 3.02Å; T7-R9 VanDerWaalsContact C-N 3.32Å; T7-R9 PolarHBondContact O-N 2.88Å; T7-R10 PolarHBondContact O-N 3.06Å; T7-E11 PolarHBondContact O-N 3Å
8K73.3Confident63.8Low121 Ų121121.4 Ų121.453%0.52661%0.609SS.*Hα-helixtrans-62-37.5177.4-74.6174.2-164.8152.60112.5T4 A5 E11 Q12T4-K8 WeakPolarHBondContact O-CD 3.48Å; T4-K8 WeakPolarHBondContact O-CE 3.43Å; T4-K8 WeakPolarHBondContact O-CG 3.33Å; T4-K8 PolarHBondContact O-NZ 3.06Å; A5-K8 PolarHBondContact O-N 2.86Å; K8-E11 PolarHBondContact O-N 3.25Å; K8-Q12 WeakPolarHBondContact O-CB 3.49Å; K8-Q12 WeakPolarHBondContact O-CG 3.25Å; K8-Q12 PolarHBondContact O-N 3.05Å
9R71.1Confident63.1Low179 Ų179118.4 Ų118.468%0.67560%0.601SS**Hα-helixtrans-64.5-42.9174.7-166.2171-179.9166.5-3.7110.8A5 K6 T7 Q12 L13A5-R9 PolarHBondContact O-N 2.88Å; K6-R9 PolarHBondContact O-N 3.2Å; T7-R9 VanDerWaalsContact C-N 3.32Å; T7-R9 PolarHBondContact O-N 2.88Å; R9-Q12 PolarHBondContact O-N 3.42Å; R9-L13 HydrophobicContact CG-CD1 4.49Å; R9-L13 WeakPolarHBondContact O-CG 3.48Å; R9-L13 PolarHBondContact O-N 2.97Å
10R74.9Confident62.1Low154 Ų154117.5 Ų117.558%0.58161%0.605SS**Hα-helixtrans-65.7-34.7173.8-120.8176.6-175.4-166.11.5113.3K6 T7 K14 D87K6-R10 PolarHBondContact O-N 2.97Å; K6-R10 VanDerWaalsContact O-N 3.09Å; T7-R10 PolarHBondContact O-N 3.06Å; R10-K14 WeakPolarHBondContact O-CB 3.41Å; R10-K14 PolarHBondContact O-N 3.5Å; R10-D87 IonicContact CZ-OD1 3.73Å; R10-D87 IonicContact NH2-OD1 3.21Å; R10-D87 PolarHBondContact NH2-OD1 2.95Å
11E73.3Confident61.5Low118 Ų118117.4 Ų117.455%0.55161%0.61SS**Hα-helixtrans-69.3-37.8171.1-75.1-160.3133.700113.1T7 K8 K14 R15T7-E11 PolarHBondContact O-N 3Å; K8-E11 PolarHBondContact O-N 3.25Å; E11-K14 PolarHBondContact O-N 3.45Å; E11-R15 WeakPolarHBondContact O-CB 3.41Å; E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.13Å
12Q72.7Confident61.5Low115 Ų115112.7 Ų112.754%0.53759%0.59SS.*Hα-helixtrans-64.8-45.3175.2-77.6173.4-22.200111.2K8 R9 K14 R15 W16K8-Q12 WeakPolarHBondContact O-CB 3.49Å; K8-Q12 WeakPolarHBondContact O-CG 3.25Å; K8-Q12 PolarHBondContact O-N 3.05Å; R9-Q12 PolarHBondContact O-N 3.42Å; Q12-K14 PolarHBondContact O-N 3.03Å; Q12-R15 CarbonylContact O-C 3.55Å; Q12-R15 WeakPolarHBondContact O-CA 3.43Å; Q12-R15 WeakPolarHBondContact O-CB 3.3Å; Q12-R15 PolarHBondContact O-N 2.9Å; Q12-W16 PolarHBondContact O-N 3.33Å
13L69.4Low61.1Low88 Ų88120.9 Ų120.946%0.46161%0.608SS.*Hα-helixtrans-60.8-44.5174.1-70.9165.3000111.6R9 R15 W16 A17R9-L13 HydrophobicContact CG-CD1 4.49Å; R9-L13 WeakPolarHBondContact O-CG 3.48Å; R9-L13 PolarHBondContact O-N 2.97Å; L13-R15 PolarHBondContact O-N 3.41Å; L13-W16 HydrophobicContact CD2-CE3 4.37Å; L13-W16 PolarHBondContact O-N 3.13Å; L13-A17 PolarHBondContact O-N 3.16Å
14K74.1Confident60.3Low172 Ų172118.2 Ų118.275%0.74860%0.603SS**Hα-helixtrans-63.7-21.4172.5-82.4-172.4173.6-178.40114.6R10 E11 Q12R10-K14 WeakPolarHBondContact O-CB 3.41Å; R10-K14 PolarHBondContact O-N 3.5Å; E11-K14 PolarHBondContact O-N 3.45Å; Q12-K14 PolarHBondContact O-N 3.03Å
15R64.3Low59.4Low192 Ų192119.4 Ų119.473%0.72562%0.615SS**Hα-helixtrans-85.8-20.6172.4-76.7174.4174.2-174.91.2113.2E11 Q12 L13E11-R15 WeakPolarHBondContact O-CB 3.41Å; E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.13Å; Q12-R15 CarbonylContact O-C 3.55Å; Q12-R15 WeakPolarHBondContact O-CA 3.43Å; Q12-R15 WeakPolarHBondContact O-CB 3.3Å; Q12-R15 PolarHBondContact O-N 2.9Å; L13-R15 PolarHBondContact O-N 3.41Å
16W54.1Low58.3Low178 Ų178124.5 Ų124.567%0.67463%0.634SS**Hα-helixtrans-85.9-30.8172.3-74.9-17.4000113Q12 L13 G18 S19Q12-W16 PolarHBondContact O-N 3.33Å; L13-W16 HydrophobicContact CD2-CE3 4.37Å; L13-W16 PolarHBondContact O-N 3.13Å; W16-G18 PolarHBondContact O-N 3.33Å; W16-S19 WeakPolarHBondContact O-CB 3.47Å; W16-S19 PolarHBondContact O-N 3.26Å
17A45.6Very low56.9Low81 Ų81124.3 Ų124.367%0.66964%0.643SS**THydrogen-bonded Turntrans-60.995.2170.500000111.2L13L13-A17 PolarHBondContact O-N 3.16Å
18G53.5Low55.1Low63 Ų63126 Ų12665%0.64966%0.655SS**THydrogen-bonded Turntrans111.6-1.1-17300000115.8W16 S20W16-G18 PolarHBondContact O-N 3.33Å; G18-S20 PolarHBondContact O-N 3.31Å
19S51Low53.4Low64 Ų64132 Ų13245%0.44867%0.674SS.*SBendtrans-84.470.5-176.8-179.30000113.7W16 T21W16-S19 WeakPolarHBondContact O-CB 3.47Å; W16-S19 PolarHBondContact O-N 3.26Å; S19-T21 PolarHBondContact O-N 2.92Å
20S43.9Very low51.8Low99 Ų99134.7 Ų134.769%0.69269%0.685SS**SBendtrans65.8-13.1161.1-158.50000118.5G18G18-S20 PolarHBondContact O-N 3.31Å
21T49.6Very low49.8Very low116 Ų116137.7 Ų137.771%0.71270%0.696SS**SBendtrans-72.6-31.5172.544.90000112.6S19S19-T21 PolarHBondContact O-N 2.92Å
22D45.7Very low47.6Very low120 Ų120143.9 Ų143.964%0.64271%0.714SS**SBendtrans-90-5.6-170.1-42-38.6000112.7
23R45.5Very low45.7Very low212 Ų212148.7 Ų148.780%0.873%0.728SS**SBendtrans-93.9122.8171.5-62-171.190.496.8-2.7109.3
24A41.9Very low43.7Very low69 Ų69148.2 Ų148.257%0.5774%0.744SS**PPolyproline II helixtrans-57.8141172.400000110.8
25S39.2Very low41.7Very low110 Ų110147.9 Ų147.977%0.76975%0.751SS**PPolyproline II helixtrans-82.6117.1177.337.30000110.9V27S25-V27 PolarHBondContact O-N 2.88Å
26D40.5Very low40Very low164 Ų164143 Ų14388%0.87775%0.751SS**SBendtrans-69.514.5-178.1-81.2-37.6000115.2
27V38.4Very low38.8Very low111 Ų111138 Ų13867%0.67376%0.755SS**SBendtrans-128.3109.2-177.1-174.40000111S25 R29S25-V27 PolarHBondContact O-N 2.88Å; V27-R29 PolarHBondContact O-N 3.19Å
28P34.8Very low38Very low120 Ų120143.1 Ų143.178%0.77977%0.765SS**  trans-64.5104.8174.8-2233.8000111.8R30P28-R30 PolarHBondContact O-N 3.13Å
29R38.7Very low36.9Very low246 Ų246144.5 Ų144.593%0.92877%0.77SS**  trans-65.5106.6173.2-79.6-171.1169.7-160.4-2.1110.5V27 R31V27-R29 PolarHBondContact O-N 3.19Å; R29-R31 PolarHBondContact O-N 3.38Å
30R36.5Very low35.9Very low237 Ų237150.9 Ų150.989%0.89479%0.793SS**PPolyproline II helixtrans-64.7127.2170.5-69.6-173.9178.4-87.60110P28 W32P28-R30 PolarHBondContact O-N 3.13Å; R30-W32 PolarHBondContact O-N 2.9Å
31R32.4Very low35.3Very low217 Ų217150.7 Ų150.782%0.81980%0.797SS**PPolyproline II helixtrans-77.7117.1175.6-171.3178.9-172.6-171.63.1109.6R29R29-R31 PolarHBondContact O-N 3.38Å
32W27.7Very low34.3Very low247 Ų247153.4 Ų153.494%0.93680%0.802SS**PPolyproline II helixtrans-65.3133.3162-85.148.2000108.9R30R30-W32 PolarHBondContact O-N 2.9Å
33R32.9Very low33.7Very low216 Ų216154.8 Ų154.882%0.81581%0.809SS**PPolyproline II helixtrans-100.1123.8158.6-78-172.6177.6-94.110.5107.4
34G28.4Very low32.9Very low79 Ų79150.6 Ų150.681%0.81481%0.812SS**PPolyproline II helixtrans-80.2152.8149.100000108.5
35D30.8Very low32.4Very low164 Ų164150.7 Ų150.788%0.87782%0.82SS**  trans-117.7146.4-174.5-173.932000111
36A29.8Very low32Very low89 Ų89153.2 Ų153.274%0.73682%0.824SS**  trans-166.8133.9171.300000109.1
37G28.3Very low32.2Very low73 Ų73150.4 Ų150.475%0.75382%0.815SS**  trans-69.9-175.4171.200000112.8
38E29Very low32.9Very low189 Ų189151 Ų15188%0.88382%0.821SS**  cis-119.715020.6-74.1152.5159.600110.7
39A30.4Very low32.6Very low92 Ų92148.8 Ų148.876%0.7682%0.821SS**  44.9133.582.900000113.6
40E29.5Very low32.4Very low198 Ų198144.3 Ų144.393%0.92582%0.815SS**  cis-121.4-176.426.8-55.5-167.3127.500115.1
41A32Very low32.1Very low95 Ų95142.2 Ų142.279%0.78582%0.816SS**  trans-150.1147.9177.200000111.7
42E28.7Very low31.9Very low173 Ų173140.6 Ų140.681%0.80882%0.817SS**  trans-137.1119.2151.7-77.7-139.9144.700107.6
43L32.1Very low32.7Very low149 Ų149133.8 Ų133.878%0.7881%0.805SS**  60112.394.2-60.3167.3000111.4
44S29.9Very low32.5Very low124 Ų124132.1 Ų132.187%0.86781%0.807SS**  cis-173.8168.240.646.70000110
45G30.1Very low32.4Very low71 Ų71134.5 Ų134.573%0.73281%0.811SS**  cis172.8129.9-10.700000112.9
46D30.3Very low32.5Very low163 Ų163136.2 Ų136.287%0.87281%0.813SS**  trans52.1160.7147.6-96.33.4000123.1
47P45.9Very low32.8Very low105 Ų105135.5 Ų135.568%0.68281%0.814SS**  trans-132.1-134.6-132.643.7-22.3000110.4
48P52.6Low32.8Very low123 Ų123143.8 Ų143.880%0.79982%0.823SS**  cis-121.3-174.7-33.238-22.8000112.7
49G29Very low33.3Very low75 Ų75142.1 Ų142.177%0.77382%0.82SS**  trans-162.299.2169.600000113.9
50D34.3Very low33.3Very low152 Ų152146.2 Ų146.281%0.81382%0.824SS**  trans-69.4133.9170.5-78.2-58.8000111.7
51Q29.8Very low34Very low192 Ų192142.5 Ų142.590%0.89782%0.82SS**  trans-176.7118.9134.3-101.9148.5107.200113
52Q28.6Very low33.9Very low183 Ų183142.7 Ų142.786%0.85582%0.815SS**  trans-88.9167.7138.1-70.8-168.8-48.200107.7
53P43.9Very low34.5Very low104 Ų104140.1 Ų140.168%0.67581%0.813SS**  cis-138.6-167.414.144.6-26.2000115.6
54E28.8Very low34.6Very low182 Ų182139.9 Ų139.985%0.8581%0.811SS**  trans63.5111.7155.8-69.8176-143.900121
55S27.7Very low35.4Very low129 Ų129140.4 Ų140.490%0.90281%0.811SS**  -168163.5123.136.30000111.3
56E31.3Very low36.2Very low200 Ų200141.2 Ų141.294%0.93581%0.806SS**  trans-87.9142.6-164.8-58.7173.3118.200114.9
57G36Very low36.9Very low73 Ų73137 Ų13775%0.75380%0.801SS**  trans78.3102.3134.400000120
58R30.1Very low37.1Very low247 Ų247141.8 Ų141.893%0.93281%0.805SS**  trans-162.2160.1138.3-110.9162.6-167-146.1-1.2112
59D38Very low37.2Very low155 Ų155146 Ų14683%0.82981%0.811SS**  trans-64.3139.2176.1-52.7-89.1000112.2
60E31.7Very low39.3Very low178 Ų178153 Ų15383%0.83281%0.814SS**  trans-149.1136.5137.4-86.5-141128.500110.8S62E60-S62 PolarHBondContact O-N 2.82Å
61S43Very low41.6Very low120 Ų120151.7 Ų151.784%0.83981%0.811SS**  trans-78.595.9172.851.80000110.8
62S29.7Very low44.1Very low98 Ų98150.5 Ų150.569%0.68580%0.798SS**  trans-103.7110.1174.9-79.40000112E60E60-S62 PolarHBondContact O-N 2.82Å
63P40.7Very low47Very low119 Ų119149.4 Ų149.477%0.77379%0.791SS**  trans-71.2132.3173.829.2-33.2000110.9P65P63-P65 WeakPolarHBondContact O-CD 3.34Å
64I35.1Very low49.1Very low145 Ų145148.9 Ų148.974%0.74478%0.783SS**  trans-63.3120-174.9-58.3167.4000110.3S66I64-S66 PolarHBondContact O-N 2.76Å
65P46.2Very low51.9Low134 Ų134141.9 Ų141.987%0.8775%0.749SS**  trans-79.854.618034-36.3000112.1P63P63-P65 WeakPolarHBondContact O-CD 3.34Å
66S48.3Very low54.8Low89 Ų89136.9 Ų136.962%0.62272%0.715SS**  trans-107.738.4175.170.90000112.2I64 R68I64-S66 PolarHBondContact O-N 2.76Å; S66-R68 PolarHBondContact O-N 3.48Å
67G44.8Very low57.5Low73 Ų73129.7 Ų129.775%0.75369%0.69SS**  trans-63.891.5171.600000111.1K69G67-K69 PolarHBondContact O-N 3.46Å
68R49.7Very low60.1Low207 Ų207128.8 Ų128.878%0.78167%0.666SS**  trans-50.7125.5157.4-66.1-177.6-179.7-173.40.5106.3S66 R70S66-R68 PolarHBondContact O-N 3.48Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.85Å
69K53.4Low63.1Low210 Ų210117 Ų11791%0.91362%0.622SS**  trans-60.296.9177.2-69-168.2176.2-166.60108.6G67 V71G67-K69 PolarHBondContact O-N 3.46Å; K69-V71 PolarHBondContact O-N 2.99Å
70R73.6Confident65.7Low223 Ų223111.5 Ų111.584%0.84259%0.592SS**  trans-67129.9172.4-72.1-174-73.4-118.62.6106.9R68 R72R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.85Å; R70-R72 PolarHBondContact O-N 3.31Å
71V84.1Confident68.5Low125 Ų125106 Ų10676%0.75858%0.577SS**  trans-67.5126.6162-177.10000106.1K69K69-V71 PolarHBondContact O-N 2.99Å
72R82.1Confident70.9Confident166 Ų166100.6 Ų100.663%0.62654%0.539SS*.  trans-122.4154.6156.8-60.9-157.3-57.9152.74.1106.2R70R70-R72 PolarHBondContact O-N 3.31Å
73F88Confident73.9Confident160 Ų16096.3 Ų96.370%0.70251%0.51SS*.  trans-86.7-173.5169.4-60.2-84.2000109.1E78F73-E78 HydrophobicContact CB-CG 3.81Å; F73-E78 PolarHBondContact N-OE1 2.96Å
74D88.6Confident76.3Confident94 Ų9493.1 Ų93.150%0.50349%0.493SS..  trans-71145.1169172.564.9000110.5A76 A77 E78D74-A76 WeakPolarHBondContact OD2-CB 3.25Å; D74-A76 PolarHBondContact OD2-N 3.49Å; D74-A76 VanDerWaalsContact OD2-N 3.1Å; D74-A77 HydrophobicContact CB-CB 4.1Å; D74-A77 WeakPolarHBondContact O-CB 3.35Å; D74-A77 PolarHBondContact O-N 2.96Å; D74-A77 PolarHBondContact OD2-N 2.88Å; D74-E78 WeakPolarHBondContact O-CG 3.32Å; D74-E78 PolarHBondContact O-N 3.27Å
75R86.9Confident79Confident35 Ų3589 Ų8913%0.13248%0.478CS..Hα-helixtrans-72.4-34-170.2-165.5171.9-171.512117.7112.8E78 F79 M94 E97R75-E78 PolarHBondContact O-N 3.35Å; R75-F79 WeakPolarHBondContact O-CB 3.36Å; R75-F79 PolarHBondContact O-N 2.87Å; R75-M94 PolarHBondContact NH2-O 3.44Å; R75-E97 IonicContact CZ-OE2 3.47Å; R75-E97 IonicContact NH1-OE2 3.26Å; R75-E97 PolarHBondContact NH1-OE2 3.3Å; R75-E97 IonicContact NH2-OE2 3.94Å; R75-E97 PolarHBondContact NH2-OE2 3.43Å
76A88.5Confident81.1Confident23 Ų2384.1 Ų84.119%0.1945%0.451CS..Hα-helixtrans-66.1-40.8171.700000110.8D74 F79 L80 C117D74-A76 WeakPolarHBondContact OD2-CB 3.25Å; D74-A76 PolarHBondContact OD2-N 3.49Å; D74-A76 VanDerWaalsContact OD2-N 3.1Å; A76-F79 PolarHBondContact O-N 3.41Å; A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 WeakPolarHBondContact O-CG 3.43Å; A76-L80 PolarHBondContact O-N 2.82Å; A76-C117 HydrophobicContact CB-CB 3.56Å
77A89.3Confident83.2Confident50 Ų5082.3 Ų82.341%0.41344%0.435SS..Hα-helixtrans-64.9-37.9174.900000113.4D74 A81D74-A77 HydrophobicContact CB-CB 4.1Å; D74-A77 WeakPolarHBondContact O-CB 3.35Å; D74-A77 PolarHBondContact O-N 2.96Å; D74-A77 PolarHBondContact OD2-N 2.88Å; A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 3.39Å; A77-A81 VanDerWaalsContact O-N 3.14Å
78E91.1Very high85.4Confident53 Ų5380.9 Ų80.925%0.24841%0.411CS..Hα-helixtrans-64.5-43.3172.7-69.3178.6167.100110.8F73 D74 R75 A81 A82 M94F73-E78 HydrophobicContact CB-CG 3.81Å; F73-E78 PolarHBondContact N-OE1 2.96Å; D74-E78 WeakPolarHBondContact O-CG 3.32Å; D74-E78 PolarHBondContact O-N 3.27Å; R75-E78 PolarHBondContact O-N 3.35Å; E78-A81 PolarHBondContact O-N 2.97Å; E78-A82 PolarHBondContact O-N 3.1Å; E78-A82 VanDerWaalsContact O-N 3.1Å; E78-M94 HydrophobicContact CB-SD 3.9Å
79F91.9Very high87.3Confident1 Ų178.3 Ų78.30%0.00441%0.408CS..Hα-helixtrans-63.7-51.4177.2-175.5-102.9000113.3R75 A76 A81 A82 C83 A91 M94 L95 I114 I115 A125 L141R75-F79 WeakPolarHBondContact O-CB 3.36Å; R75-F79 PolarHBondContact O-N 2.87Å; A76-F79 PolarHBondContact O-N 3.41Å; F79-A81 PolarHBondContact O-N 2.89Å; F79-A82 PolarHBondContact O-N 3.1Å; F79-C83 PolarHBondContact O-N 3.2Å; F79-A91 HydrophobicContact CD2-CB 4.35Å; F79-A91 HydrophobicContact CE2-CB 3.93Å; F79-M94 HydrophobicContact CB-CE 4.43Å; F79-M94 HydrophobicContact CD2-CE 4.37Å; F79-L95 HydrophobicContact CD2-CD2 4.45Å; F79-L95 HydrophobicContact CD2-CG 4.5Å; F79-L95 HydrophobicContact CE2-CD1 3.93Å; F79-L95 HydrophobicContact CE2-CD2 3.88Å; F79-L95 HydrophobicContact CE2-CG 3.78Å; F79-L95 HydrophobicContact CZ-CD1 4.27Å; F79-L95 HydrophobicContact CZ-CD2 4.27Å; F79-L95 HydrophobicContact CZ-CG 4.45Å; F79-I114 HydrophobicContact CB-CG2 4.41Å; F79-I114 WeakPolarHBondContact CD1-O 3.37Å; F79-I114 HydrophobicContact CG-CG2 4.28Å; F79-I115 HydrophobicContact CE1-CG1 4.2Å; F79-I115 HydrophobicContact CZ-CG1 3.9Å; F79-A125 HydrophobicContact CE1-CB 4.05Å; F79-L141 HydrophobicContact CE1-CD2 4.13Å; F79-L141 HydrophobicContact CZ-CD2 3.78Å
80L92.1Very high89.1Confident38 Ų3874.1 Ų74.120%0.19939%0.392CS..Hα-helixtrans-56.1-39.3176-74.5164.7000111.7A76 A84 A125A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 WeakPolarHBondContact O-CG 3.43Å; A76-L80 PolarHBondContact O-N 2.82Å; L80-A84 VanDerWaalsContact O-CB 3.29Å; L80-A84 WeakPolarHBondContact O-CB 3.29Å; L80-A84 PolarHBondContact O-N 3.23Å; L80-A125 HydrophobicContact CD2-CB 4.01Å
81A91.9Very high89.9Confident62 Ų6263.6 Ų63.651%0.51235%0.352SS..Hα-helixtrans-68.5-38.4178.600000113.4A77 E78 F79 A84 S85A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 3.39Å; A77-A81 VanDerWaalsContact O-N 3.14Å; E78-A81 PolarHBondContact O-N 2.97Å; F79-A81 PolarHBondContact O-N 2.89Å; A81-A84 PolarHBondContact O-N 2.99Å; A81-S85 PolarHBondContact O-N 3.45Å
82A92.9Very high90.2Very high7 Ų761.1 Ų61.16%0.05833%0.331CS..Hα-helixtrans-71.5-37.7176.200000112.2E78 F79 S85 G86 D87 E90 A91 M94E78-A82 PolarHBondContact O-N 3.1Å; E78-A82 VanDerWaalsContact O-N 3.1Å; F79-A82 PolarHBondContact O-N 3.1Å; A82-S85 PolarHBondContact O-N 3.11Å; A82-S85 PolarHBondContact O-OG 3.13Å; A82-G86 PolarHBondContact O-N 2.89Å; A82-D87 PolarHBondContact O-N 2.91Å; A82-E90 HydrophobicContact CB-CB 4.49Å; A82-E90 HydrophobicContact CB-CG 4.45Å; A82-A91 HydrophobicContact CB-CB 4.4Å; A82-M94 HydrophobicContact CB-CE 3.47Å; A82-M94 VanDerWaalsContact CB-CE 3.47Å
83C93.1Very high90.5Very high9 Ų955.5 Ų55.56%0.06132%0.32CS..Hα-helixtrans-61.7-45.8169.4-70.20000111F79 S85 G86 A125 I137F79-C83 PolarHBondContact O-N 3.2Å; C83-S85 VanDerWaalsContact C-N 3.26Å; C83-S85 PolarHBondContact O-N 3.14Å; C83-G86 PolarHBondContact O-N 3.1Å; C83-G86 VanDerWaalsContact O-N 3.09Å; C83-A125 HydrophobicContact CB-CB 3.98Å; C83-I137 HydrophobicContact CB-CG2 4.49Å; C83-I137 WeakPolarHBondContact O-CD1 3.49Å
84A91.4Very high90.5Very high52 Ų5248.9 Ų48.943%0.4329%0.292SS..Hα-helixtrans-70.6-12.5177.700000114.8L80 A81 Q128L80-A84 VanDerWaalsContact O-CB 3.29Å; L80-A84 WeakPolarHBondContact O-CB 3.29Å; L80-A84 PolarHBondContact O-N 3.23Å; A81-A84 PolarHBondContact O-N 2.99Å; A84-Q128 HydrophobicContact CB-CG 4.38Å
85S90.9Very high90.5Very high59 Ų5944.6 Ų44.641%0.41327%0.269SS..Hα-helixtrans-89-20.7168.7780000113.1A81 A82 C83 D87A81-S85 PolarHBondContact O-N 3.45Å; A82-S85 PolarHBondContact O-N 3.11Å; A82-S85 PolarHBondContact O-OG 3.13Å; C83-S85 VanDerWaalsContact C-N 3.26Å; C83-S85 PolarHBondContact O-N 3.14Å; S85-D87 VanDerWaalsContact CB-OD2 3.3Å; S85-D87 WeakPolarHBondContact CB-OD2 3.25Å; S85-D87 PolarHBondContact OG-N 3.4Å; S85-D87 PolarHBondContact OG-OD2 3.37Å
86G90.1Very high90.5Very high31 Ų3146.9 Ų46.932%0.3228%0.281SS..THydrogen-bonded Turntrans8015.7-174.200000114.3A82 C83 T88A82-G86 PolarHBondContact O-N 2.89Å; C83-G86 PolarHBondContact O-N 3.1Å; C83-G86 VanDerWaalsContact O-N 3.09Å; G86-T88 PolarHBondContact O-N 3.43Å
87D92Very high90.3Very high51 Ų5150.7 Ų50.727%0.27330%0.295SS..  trans-90.772.7179.7-61.1-68.2000110R10 A82 S85 E89 E90 A91R10-D87 IonicContact CZ-OD1 3.73Å; R10-D87 IonicContact NH2-OD1 3.21Å; R10-D87 PolarHBondContact NH2-OD1 2.95Å; A82-D87 PolarHBondContact O-N 2.91Å; S85-D87 VanDerWaalsContact CB-OD2 3.3Å; S85-D87 WeakPolarHBondContact CB-OD2 3.25Å; S85-D87 PolarHBondContact OG-N 3.4Å; S85-D87 PolarHBondContact OG-OD2 3.37Å; D87-E89 PolarHBondContact O-N 3.38Å; D87-E89 VanDerWaalsContact O-N 3.13Å; D87-E90 PolarHBondContact O-N 3.34Å; D87-A91 PolarHBondContact O-N 2.59Å
88T91.2Very high89.9Confident43 Ų4348.5 Ų48.526%0.26428%0.276SS..Hα-helixtrans-54.8-30.1-174.550.60000114.7G86 E90 A91 K92 F140G86-T88 PolarHBondContact O-N 3.43Å; T88-E90 VanDerWaalsContact C-N 3.33Å; T88-E90 PolarHBondContact O-N 3.45Å; T88-A91 PolarHBondContact O-N 3.18Å; T88-K92 VanDerWaalsContact O-CB 3.25Å; T88-K92 WeakPolarHBondContact O-CB 3.3Å; T88-K92 PolarHBondContact O-N 3.32Å; T88-F140 HydrophobicContact CG2-CB 4.25Å; T88-F140 HydrophobicContact CG2-CD1 4.33Å; T88-F140 HydrophobicContact CG2-CG 4.12Å
89E90.4Very high89.3Confident153 Ų15351.4 Ų51.472%0.71529%0.29SS*.Hα-helixtrans-63.1-36.5175.1-60.4-65.6154.400112.4D87 A93D87-E89 PolarHBondContact O-N 3.38Å; D87-E89 VanDerWaalsContact O-N 3.13Å; E89-A93 WeakPolarHBondContact O-CB 3.2Å; E89-A93 PolarHBondContact O-N 2.83Å
90E90.9Very high88.6Confident122 Ų12257.4 Ų57.457%0.5732%0.318SS*.Hα-helixtrans-76.2-40.7178.1-172.3164.4-166.400110.7A82 D87 T88 K92 A93 M94A82-E90 HydrophobicContact CB-CB 4.49Å; A82-E90 HydrophobicContact CB-CG 4.45Å; D87-E90 PolarHBondContact O-N 3.34Å; T88-E90 VanDerWaalsContact C-N 3.33Å; T88-E90 PolarHBondContact O-N 3.45Å; E90-K92 VanDerWaalsContact C-N 3.31Å; E90-K92 PolarHBondContact O-N 3.04Å; E90-A93 PolarHBondContact O-N 3.41Å; E90-M94 HydrophobicContact CG-CE 4.28Å; E90-M94 WeakPolarHBondContact O-CB 3.44Å; E90-M94 WeakPolarHBondContact O-CG 3.32Å; E90-M94 PolarHBondContact O-N 2.98Å
91A89.9Confident87.6Confident1 Ų157.3 Ų57.31%0.00832%0.321CS..Hα-helixtrans-58.8-41.6170.100000112F79 A82 D87 T88 M94 L95 F140F79-A91 HydrophobicContact CD2-CB 4.35Å; F79-A91 HydrophobicContact CE2-CB 3.93Å; A82-A91 HydrophobicContact CB-CB 4.4Å; D87-A91 PolarHBondContact O-N 2.59Å; T88-A91 PolarHBondContact O-N 3.18Å; A91-M94 PolarHBondContact O-N 3.47Å; A91-L95 WeakPolarHBondContact O-CG 3.34Å; A91-L95 PolarHBondContact O-N 3.13Å; A91-L95 VanDerWaalsContact O-N 3.11Å; A91-F140 HydrophobicContact CB-CE1 3.78Å; A91-F140 HydrophobicContact CB-CZ 4.05Å
92K90.6Very high86.1Confident73 Ų7359 Ų5932%0.31732%0.317SS..Hα-helixtrans-67.1-45.8177.5-168.3169.2-175.8-74.60112.4T88 E90 M94 L95 E96 F140T88-K92 VanDerWaalsContact O-CB 3.25Å; T88-K92 WeakPolarHBondContact O-CB 3.3Å; T88-K92 PolarHBondContact O-N 3.32Å; E90-K92 VanDerWaalsContact C-N 3.31Å; E90-K92 PolarHBondContact O-N 3.04Å; K92-M94 VanDerWaalsContact C-N 3.26Å; K92-M94 PolarHBondContact O-N 3.18Å; K92-L95 PolarHBondContact O-N 2.65Å; K92-L95 VanDerWaalsContact O-N 3.13Å; K92-E96 IonicContact NZ-OE1 2.63Å; K92-E96 PolarHBondContact NZ-OE1 3.18Å; K92-E96 PolarHBondContact O-N 3.37Å; K92-F140 HydrophobicContact CB-CE2 3.79Å; K92-F140 HydrophobicContact CB-CZ 3.9Å; K92-F140 HydrophobicContact CD-CE2 4.22Å; K92-F140 HydrophobicContact CG-CE2 4.14Å
93A90.1Very high84.5Confident48 Ų4863 Ų6340%0.39735%0.349SS..Hα-helixtrans-59.4-39.1174.300000111.6E89 E90 L95 E96 E97E89-A93 WeakPolarHBondContact O-CB 3.2Å; E89-A93 PolarHBondContact O-N 2.83Å; E90-A93 PolarHBondContact O-N 3.41Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.3Å; A93-E96 PolarHBondContact O-N 3.43Å; A93-E97 WeakPolarHBondContact O-CB 3.19Å; A93-E97 PolarHBondContact O-N 3.01Å
94M87.3Confident82.8Confident21 Ų2170.1 Ų70.110%0.10338%0.382CS..Hα-helixtrans-65.2-32.9175.3-78.1-170.3-7100113.6R75 E78 F79 A82 E90 A91 K92 T98R75-M94 PolarHBondContact NH2-O 3.44Å; E78-M94 HydrophobicContact CB-SD 3.9Å; F79-M94 HydrophobicContact CB-CE 4.43Å; F79-M94 HydrophobicContact CD2-CE 4.37Å; A82-M94 HydrophobicContact CB-CE 3.47Å; A82-M94 VanDerWaalsContact CB-CE 3.47Å; E90-M94 HydrophobicContact CG-CE 4.28Å; E90-M94 WeakPolarHBondContact O-CB 3.44Å; E90-M94 WeakPolarHBondContact O-CG 3.32Å; E90-M94 PolarHBondContact O-N 2.98Å; A91-M94 PolarHBondContact O-N 3.47Å; K92-M94 VanDerWaalsContact C-N 3.26Å; K92-M94 PolarHBondContact O-N 3.18Å; M94-T98 VanDerWaalsContact O-CG2 3.25Å; M94-T98 WeakPolarHBondContact O-CG2 3.09Å; M94-T98 PolarHBondContact O-N 3.41Å
95L87.7Confident81.1Confident5 Ų575.5 Ų75.53%0.02639%0.391CS..Hα-helixtrans-75.7-44.8174-66.8171.5000111.8F79 A91 K92 A93 E97 T98 E99 L111 I114 I115 F140 H144F79-L95 HydrophobicContact CD2-CD2 4.45Å; F79-L95 HydrophobicContact CD2-CG 4.5Å; F79-L95 HydrophobicContact CE2-CD1 3.93Å; F79-L95 HydrophobicContact CE2-CD2 3.88Å; F79-L95 HydrophobicContact CE2-CG 3.78Å; F79-L95 HydrophobicContact CZ-CD1 4.27Å; F79-L95 HydrophobicContact CZ-CD2 4.27Å; F79-L95 HydrophobicContact CZ-CG 4.45Å; A91-L95 WeakPolarHBondContact O-CG 3.34Å; A91-L95 PolarHBondContact O-N 3.13Å; A91-L95 VanDerWaalsContact O-N 3.11Å; K92-L95 PolarHBondContact O-N 2.65Å; K92-L95 VanDerWaalsContact O-N 3.13Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.3Å; L95-E97 VanDerWaalsContact C-N 3.26Å; L95-E97 PolarHBondContact O-N 3.09Å; L95-T98 PolarHBondContact O-N 2.93Å; L95-T98 PolarHBondContact O-OG1 3.19Å; L95-E99 PolarHBondContact O-N 3.36Å; L95-E99 VanDerWaalsContact O-N 3.1Å; L95-L111 HydrophobicContact CB-CD1 4.02Å; L95-L111 HydrophobicContact CD2-CD1 3.63Å; L95-L111 HydrophobicContact CG-CD1 4.38Å; L95-I114 HydrophobicContact CD2-CG2 4.31Å; L95-I115 HydrophobicContact CD1-CD1 4.18Å; L95-I115 HydrophobicContact CD2-CB 4.38Å; L95-I115 HydrophobicContact CD2-CG1 4.46Å; L95-F140 HydrophobicContact CD1-CE1 4.45Å; L95-F140 HydrophobicContact CD1-CZ 4.09Å; L95-H144 HydrophobicContact CD1-CB 4.09Å
96E86.8Confident79.4Confident82 Ų8282.1 Ų82.138%0.38342%0.415SS..Hα-helixtrans-59.8-37.6176.3-72.9-179.1-170.500112K92 A93 Q100K92-E96 IonicContact NZ-OE1 2.63Å; K92-E96 PolarHBondContact NZ-OE1 3.18Å; K92-E96 PolarHBondContact O-N 3.37Å; A93-E96 PolarHBondContact O-N 3.43Å; E96-Q100 WeakPolarHBondContact O-CB 3.43Å; E96-Q100 VanDerWaalsContact O-CG 3.25Å; E96-Q100 WeakPolarHBondContact O-CG 3.32Å; E96-Q100 PolarHBondContact O-N 2.65Å; E96-Q100 VanDerWaalsContact O-N 3.13Å; E96-Q100 PolarHBondContact O-NE2 2.77Å
97E85.2Confident77.6Confident104 Ų10488.5 Ų88.549%0.48644%0.442SS..Hα-helixtrans-64.2-34.3171.9-87.7-167.2-175.100113.3R75 A93 L95 S101R75-E97 IonicContact CZ-OE2 3.47Å; R75-E97 IonicContact NH1-OE2 3.26Å; R75-E97 PolarHBondContact NH1-OE2 3.3Å; R75-E97 IonicContact NH2-OE2 3.94Å; R75-E97 PolarHBondContact NH2-OE2 3.43Å; A93-E97 WeakPolarHBondContact O-CB 3.19Å; A93-E97 PolarHBondContact O-N 3.01Å; L95-E97 VanDerWaalsContact C-N 3.26Å; L95-E97 PolarHBondContact O-N 3.09Å; E97-S101 VanDerWaalsContact O-CB 3.3Å; E97-S101 WeakPolarHBondContact O-CB 3.33Å; E97-S101 PolarHBondContact O-N 3.4Å; E97-S101 PolarHBondContact O-OG 3.48Å
98T81.2Confident75.8Confident3 Ų387.1 Ų87.12%0.01844%0.44CS..Hα-helixtrans-72.9-44.2-179.358.80000110.3M94 L95 Q100 S101 K102 L111 I114M94-T98 VanDerWaalsContact O-CG2 3.25Å; M94-T98 WeakPolarHBondContact O-CG2 3.09Å; M94-T98 PolarHBondContact O-N 3.41Å; L95-T98 PolarHBondContact O-N 2.93Å; L95-T98 PolarHBondContact O-OG1 3.19Å; T98-Q100 VanDerWaalsContact C-N 3.31Å; T98-Q100 PolarHBondContact O-N 2.9Å; T98-S101 WeakPolarHBondContact CA-OG 3.4Å; T98-S101 PolarHBondContact O-N 3Å; T98-S101 PolarHBondContact O-OG 3.24Å; T98-K102 WeakPolarHBondContact O-CB 3.49Å; T98-K102 PolarHBondContact O-N 3.37Å; T98-L111 WeakPolarHBondContact OG1-CD1 3.11Å; T98-I114 HydrophobicContact CG2-CD1 3.31Å
99E78.9Confident74.4Confident115 Ų11590.2 Ų90.254%0.53745%0.451SS..Hα-helixtrans-52.4-49.1171.1-65.3-171.4151.300111.7L95 K102 A103 L111L95-E99 PolarHBondContact O-N 3.36Å; L95-E99 VanDerWaalsContact O-N 3.1Å; E99-K102 PolarHBondContact O-N 3.09Å; E99-A103 PolarHBondContact O-N 2.91Å; E99-L111 HydrophobicContact CG-CD1 3.99Å; E99-L111 HydrophobicContact CG-CD2 3.99Å; E99-L111 WeakPolarHBondContact OE1-CD2 3.41Å
100Q75.8Confident73.5Confident126 Ų12683.9 Ų83.959%0.58942%0.424SS*.Hα-helixtrans-62.3-47177-73.3166.966.100112E96 T98 K102 A103E96-Q100 WeakPolarHBondContact O-CB 3.43Å; E96-Q100 VanDerWaalsContact O-CG 3.25Å; E96-Q100 WeakPolarHBondContact O-CG 3.32Å; E96-Q100 PolarHBondContact O-N 2.65Å; E96-Q100 VanDerWaalsContact O-N 3.13Å; E96-Q100 PolarHBondContact O-NE2 2.77Å; T98-Q100 VanDerWaalsContact C-N 3.31Å; T98-Q100 PolarHBondContact O-N 2.9Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.99Å; Q100-A103 WeakPolarHBondContact O-CB 3.42Å; Q100-A103 PolarHBondContact O-N 3.05Å; Q100-A103 VanDerWaalsContact O-N 3.16Å
101S72.2Confident72.7Confident36 Ų3680.2 Ų80.225%0.25241%0.408SS..Hα-helixtrans-65.8-29.8-179.174.40000113.3E97 T98 A103 E104 R105E97-S101 VanDerWaalsContact O-CB 3.3Å; E97-S101 WeakPolarHBondContact O-CB 3.33Å; E97-S101 PolarHBondContact O-N 3.4Å; E97-S101 PolarHBondContact O-OG 3.48Å; T98-S101 WeakPolarHBondContact CA-OG 3.4Å; T98-S101 PolarHBondContact O-N 3Å; T98-S101 PolarHBondContact O-OG 3.24Å; S101-A103 VanDerWaalsContact C-N 3.3Å; S101-E104 PolarHBondContact O-N 2.57Å; S101-E104 VanDerWaalsContact O-N 3.13Å; S101-R105 PolarHBondContact O-N 2.88Å; S101-R105 VanDerWaalsContact O-N 3.13Å
102K60.2Low72.1Confident99 Ų9983.4 Ų83.443%0.4343%0.429SS..Hα-helixtrans-75.9-18.1177.7-154.1-179.5-170.8-158.40112.9T98 E99 Q100 E104 S110T98-K102 WeakPolarHBondContact O-CB 3.49Å; T98-K102 PolarHBondContact O-N 3.37Å; E99-K102 PolarHBondContact O-N 3.09Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.99Å; K102-E104 VanDerWaalsContact C-N 3.29Å; K102-S110 VanDerWaalsContact NZ-CB 3.26Å
103A58.6Low71.6Confident90 Ų9084.8 Ų84.874%0.74444%0.439SS*.THydrogen-bonded Turntrans-77.1-15167.400000113.1E99 Q100 S101E99-A103 PolarHBondContact O-N 2.91Å; Q100-A103 WeakPolarHBondContact O-CB 3.42Å; Q100-A103 PolarHBondContact O-N 3.05Å; Q100-A103 VanDerWaalsContact O-N 3.16Å; S101-A103 VanDerWaalsContact C-N 3.3Å
104E57.8Low71.4Confident158 Ų15882.8 Ų82.874%0.73842%0.422SS*.THydrogen-bonded Turntrans-107.7-14.2-179.7-63.1-167.9156.800114.4S101 K102S101-E104 PolarHBondContact O-N 2.57Å; S101-E104 VanDerWaalsContact O-N 3.13Å; K102-E104 VanDerWaalsContact C-N 3.29Å
105R55.5Low71.4Confident165 Ų16581.9 Ų81.962%0.62342%0.418SS*.  trans-142.5127.3-178.3-62.4-170.8-176106.617.8112.5S101 D107 G108S101-R105 PolarHBondContact O-N 2.88Å; S101-R105 VanDerWaalsContact O-N 3.13Å; R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 PolarHBondContact O-N 3.3Å; R105-G108 PolarHBondContact O-N 3.04Å
106E54.6Low71.5Confident198 Ų19883.3 Ų83.393%0.92543%0.425SS*.THydrogen-bonded Turntrans-69-30.1177.3-60.7-175.7136.500112.3G108E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 3.44Å
107D52.4Low71.6Confident165 Ų16580 Ų8088%0.88241%0.411SS*.THydrogen-bonded Turntrans-84.518.9177.9-50.1-63.9000114.3R105R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 PolarHBondContact O-N 3.3Å
108G55.7Low72Confident22 Ų2278 Ų7823%0.22741%0.408CS..  trans-79.2128.8-176.300000114R105 E106 S110R105-G108 PolarHBondContact O-N 3.04Å; E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 3.44Å; G108-S110 PolarHBondContact O-N 3.27Å
109E61.3Low72.4Confident109 Ų10980.9 Ų80.951%0.50942%0.424SS..  trans-39.8131.8165.3-71.4162-160.200110.7I114E109-I114 HydrophobicContact CB-CD1 3.88Å; E109-I114 HydrophobicContact CB-CG1 4.24Å
110S70.7Confident73Confident20 Ų2080.3 Ų80.314%0.1444%0.439CS..  trans-83.4145.6-173.789.50000111.9K102 G108 P112 D113 I114K102-S110 VanDerWaalsContact NZ-CB 3.26Å; G108-S110 PolarHBondContact O-N 3.27Å; S110-P112 VanDerWaalsContact C-N 3.31Å; S110-P112 WeakPolarHBondContact OG-CD 3.5Å; S110-P112 WeakPolarHBondContact OG-CG 3.44Å; S110-D113 WeakPolarHBondContact CA-OD2 3.48Å; S110-D113 WeakPolarHBondContact CB-OD2 3.32Å; S110-D113 PolarHBondContact N-OD2 3.47Å; S110-D113 WeakPolarHBondContact O-CA 3.37Å; S110-D113 WeakPolarHBondContact O-CB 3.24Å; S110-D113 PolarHBondContact O-N 2.98Å; S110-D113 PolarHBondContact OG-N 3.17Å; S110-D113 PolarHBondContact OG-OD1 2.81Å; S110-D113 PolarHBondContact OG-OD2 2.87Å; S110-I114 PolarHBondContact O-N 3.29Å; S110-I114 VanDerWaalsContact O-N 3.09Å
111L74.3Confident73.6Confident44 Ų4478.2 Ų78.223%0.2343%0.432CS..Hα-helixtrans-46.1-46.4174.7-172.972.7000113.4L95 T98 E99 I114 I115L95-L111 HydrophobicContact CB-CD1 4.02Å; L95-L111 HydrophobicContact CD2-CD1 3.63Å; L95-L111 HydrophobicContact CG-CD1 4.38Å; T98-L111 WeakPolarHBondContact OG1-CD1 3.11Å; E99-L111 HydrophobicContact CG-CD1 3.99Å; E99-L111 HydrophobicContact CG-CD2 3.99Å; E99-L111 WeakPolarHBondContact OE1-CD2 3.41Å; L111-I114 PolarHBondContact O-N 3.22Å; L111-I115 PolarHBondContact O-N 2.92Å
112P76.5Confident74.5Confident68 Ų6877.3 Ų77.344%0.44243%0.428SS..Hα-helixtrans-69.5-27175.826.3-34.1000114.3S110 I114 N116S110-P112 VanDerWaalsContact C-N 3.31Å; S110-P112 WeakPolarHBondContact OG-CD 3.5Å; S110-P112 WeakPolarHBondContact OG-CG 3.44Å; P112-I114 VanDerWaalsContact C-N 3.34Å; P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.41Å; P112-N116 PolarHBondContact O-N 3.09Å; P112-N116 PolarHBondContact O-ND2 3.28Å
113D81.3Confident76.1Confident102 Ų10274.6 Ų74.655%0.54542%0.418SS..Hα-helixtrans-67.7-39.1174.2-50.4-38.9000110.5S110 C117S110-D113 WeakPolarHBondContact CA-OD2 3.48Å; S110-D113 WeakPolarHBondContact CB-OD2 3.32Å; S110-D113 PolarHBondContact N-OD2 3.47Å; S110-D113 WeakPolarHBondContact O-CA 3.37Å; S110-D113 WeakPolarHBondContact O-CB 3.24Å; S110-D113 PolarHBondContact O-N 2.98Å; S110-D113 PolarHBondContact OG-N 3.17Å; S110-D113 PolarHBondContact OG-OD1 2.81Å; S110-D113 PolarHBondContact OG-OD2 2.87Å; D113-C117 WeakPolarHBondContact O-CA 3.47Å; D113-C117 WeakPolarHBondContact O-CB 3.29Å; D113-C117 PolarHBondContact O-N 2.91Å
114I85Confident77.8Confident6 Ų670.5 Ų70.53%0.03138%0.383CS..Hα-helixtrans-73.9-40.2179.8-65.3174.3000111.1F79 L95 T98 E109 S110 L111 P112 C117F79-I114 HydrophobicContact CB-CG2 4.41Å; F79-I114 WeakPolarHBondContact CD1-O 3.37Å; F79-I114 HydrophobicContact CG-CG2 4.28Å; L95-I114 HydrophobicContact CD2-CG2 4.31Å; T98-I114 HydrophobicContact CG2-CD1 3.31Å; E109-I114 HydrophobicContact CB-CD1 3.88Å; E109-I114 HydrophobicContact CB-CG1 4.24Å; S110-I114 PolarHBondContact O-N 3.29Å; S110-I114 VanDerWaalsContact O-N 3.09Å; L111-I114 PolarHBondContact O-N 3.22Å; P112-I114 VanDerWaalsContact C-N 3.34Å; I114-C117 WeakPolarHBondContact O-CB 3.41Å; I114-C117 PolarHBondContact O-N 3.4Å; I114-C117 PolarHBondContact O-SG 3.3Å
115I88.2Confident79.5Confident2 Ų263 Ų631%0.0135%0.349CS..Hα-helixtrans-75.2-27.8179.7-149.7176.4000113.1F79 L95 L111 L141 H144 A146F79-I115 HydrophobicContact CE1-CG1 4.2Å; F79-I115 HydrophobicContact CZ-CG1 3.9Å; L95-I115 HydrophobicContact CD1-CD1 4.18Å; L95-I115 HydrophobicContact CD2-CB 4.38Å; L95-I115 HydrophobicContact CD2-CG1 4.46Å; L111-I115 PolarHBondContact O-N 2.92Å; I115-L141 HydrophobicContact CD1-CD2 4.4Å; I115-L141 HydrophobicContact CG1-CD2 4.02Å; I115-H144 HydrophobicContact CD1-CB 3.47Å; I115-H144 VanDerWaalsContact CD1-CB 3.47Å; I115-H144 WeakPolarHBondContact CD1-O 3.4Å; I115-A146 HydrophobicContact CD1-CB 4.27Å; I115-A146 HydrophobicContact CG1-CB 4.28Å; I115-A146 HydrophobicContact CG2-CB 4.46Å
116N89.8Confident81.4Confident36 Ų3655.3 Ų55.319%0.19332%0.32CS..THydrogen-bonded Turntrans-9914175.4-59.8-65.4000112.8P112 T124 G147P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.41Å; P112-N116 PolarHBondContact O-N 3.09Å; P112-N116 PolarHBondContact O-ND2 3.28Å; N116-T124 WeakPolarHBondContact O-CG2 3.44Å; N116-G147 PolarHBondContact OD1-N 2.97Å
117C89.2Confident83.4Confident13 Ų1345.9 Ų45.99%0.08828%0.276CS..  trans-62.4149.7176.7720000111.2A76 D113 I114 T124A76-C117 HydrophobicContact CB-CB 3.56Å; D113-C117 WeakPolarHBondContact O-CA 3.47Å; D113-C117 WeakPolarHBondContact O-CB 3.29Å; D113-C117 PolarHBondContact O-N 2.91Å; I114-C117 WeakPolarHBondContact O-CB 3.41Å; I114-C117 PolarHBondContact O-N 3.4Å; I114-C117 PolarHBondContact O-SG 3.3Å; C117-T124 WeakPolarHBondContact O-CA 3.26Å; C117-T124 WeakPolarHBondContact O-CB 3.23Å
118S92.1Very high85.4Confident60 Ų6041.1 Ų41.142%0.4225%0.248SC..BIsolated β-bridgetrans-130162.4-172.947.50000112G122 I123S118-G122 VanDerWaalsContact CB-C 3.43Å; S118-G122 VanDerWaalsContact CB-O 3.23Å; S118-G122 WeakPolarHBondContact CB-O 3.46Å; S118-I123 VanDerWaalsContact CA-O 3.29Å; S118-I123 WeakPolarHBondContact CA-O 3.29Å
119N91.4Very high87.3Confident64 Ų6440.2 Ų40.234%0.34224%0.239SC..  trans-79.6-172.316678.2-10.8000111.3D121 G122 I123N119-D121 PolarHBondContact ND2-OD2 3.05Å; N119-D121 PolarHBondContact O-N 3.02Å; N119-D121 WeakPolarHBondContact OD1-CA 3.35Å; N119-D121 WeakPolarHBondContact OD1-CB 3.46Å; N119-D121 PolarHBondContact OD1-N 3.15Å; N119-G122 PolarHBondContact O-N 2.81Å; N119-G122 VanDerWaalsContact O-N 3.15Å; N119-G122 PolarHBondContact OD1-N 2.94Å; N119-I123 PolarHBondContact N-O 2.7Å; N119-I123 WeakPolarHBondContact OD1-CB 3.35Å; N119-I123 PolarHBondContact OD1-N 3.22Å
120A89.8Confident89Confident103 Ų10335 Ų3585%0.85121%0.214SC*.THydrogen-bonded Turntrans-60.8-25.8178.200000113.8G122A120-G122 VanDerWaalsContact C-N 3.32Å
121D88.6Confident90.1Very high83 Ų8337.5 Ų37.544%0.44423%0.225SC..THydrogen-bonded Turntrans-93.410.1-177.8-31.2-57000111.4N119 I123 S153N119-D121 PolarHBondContact ND2-OD2 3.05Å; N119-D121 PolarHBondContact O-N 3.02Å; N119-D121 WeakPolarHBondContact OD1-CA 3.35Å; N119-D121 WeakPolarHBondContact OD1-CB 3.46Å; N119-D121 PolarHBondContact OD1-N 3.15Å; D121-I123 HydrophobicContact CB-CD1 4.15Å; D121-I123 HydrophobicContact CB-CG1 4.19Å; D121-I123 PolarHBondContact O-N 2.96Å; D121-S153 WeakPolarHBondContact O-CB 3.45Å; D121-S153 PolarHBondContact O-N 3.37Å; D121-S153 PolarHBondContact O-OG 3.18Å
122G91.4Very high91Very high17 Ų1738.2 Ų38.218%0.17523%0.229CC..  trans75.6-5.2-177.400000115.4S118 N119 A120 T124S118-G122 VanDerWaalsContact CB-C 3.43Å; S118-G122 VanDerWaalsContact CB-O 3.23Å; S118-G122 WeakPolarHBondContact CB-O 3.46Å; N119-G122 PolarHBondContact O-N 2.81Å; N119-G122 VanDerWaalsContact O-N 3.15Å; N119-G122 PolarHBondContact OD1-N 2.94Å; A120-G122 VanDerWaalsContact C-N 3.32Å; G122-T124 PolarHBondContact O-N 2.95Å
123I93.2Very high91.8Very high42 Ų4236.3 Ų36.322%0.21522%0.222CC..  trans-66.1117.8-178.4-58.4172.2000109.6S118 N119 D121 H127 D152S118-I123 VanDerWaalsContact CA-O 3.29Å; S118-I123 WeakPolarHBondContact CA-O 3.29Å; N119-I123 PolarHBondContact N-O 2.7Å; N119-I123 WeakPolarHBondContact OD1-CB 3.35Å; N119-I123 PolarHBondContact OD1-N 3.22Å; D121-I123 HydrophobicContact CB-CD1 4.15Å; D121-I123 HydrophobicContact CB-CG1 4.19Å; D121-I123 PolarHBondContact O-N 2.96Å; I123-H127 HydrophobicContact CG2-CB 3.68Å; I123-D152 HydrophobicContact CG1-CB 4.43Å
124T94.9Very high92.4Very high3 Ų332.3 Ų32.32%0.01820%0.202CC..BIsolated β-bridgetrans-89.3168.9177.568.40000113N116 C117 G122 L126 H127 Q128 Q150N116-T124 WeakPolarHBondContact O-CG2 3.44Å; C117-T124 WeakPolarHBondContact O-CA 3.26Å; C117-T124 WeakPolarHBondContact O-CB 3.23Å; G122-T124 PolarHBondContact O-N 2.95Å; T124-L126 PolarHBondContact O-N 3.46Å; T124-L126 VanDerWaalsContact O-N 3.1Å; T124-L126 PolarHBondContact OG1-N 3.09Å; T124-H127 PolarHBondContact O-N 3.01Å; T124-H127 VanDerWaalsContact O-N 3.09Å; T124-H127 PolarHBondContact OG1-ND1 3.16Å; T124-Q128 PolarHBondContact O-N 3.1Å; T124-Q150 HydrophobicContact CG2-CG 3.86Å
125A94.1Very high92.9Very high1 Ų134.7 Ų34.71%0.00821%0.214CC..Hα-helixtrans-50.9-33.7172.100000113.3F79 L80 C83 A129 L141F79-A125 HydrophobicContact CE1-CB 4.05Å; L80-A125 HydrophobicContact CD2-CB 4.01Å; C83-A125 HydrophobicContact CB-CB 3.98Å; A125-A129 WeakPolarHBondContact O-CB 3.48Å; A125-A129 PolarHBondContact O-N 3.48Å; A125-L141 HydrophobicContact CB-CD1 3.87Å; A125-L141 HydrophobicContact CB-CD2 4.17Å
126L95.9Very high93.2Very high3 Ų340.8 Ų40.82%0.01624%0.243CC..Hα-helixtrans-73.9-41.1179.4-177.360.3000112.2T124 A129 C130 V138 L141 L142 A146 P158T124-L126 PolarHBondContact O-N 3.46Å; T124-L126 VanDerWaalsContact O-N 3.1Å; T124-L126 PolarHBondContact OG1-N 3.09Å; L126-A129 PolarHBondContact O-N 3.33Å; L126-C130 PolarHBondContact O-N 3.45Å; L126-C130 VanDerWaalsContact O-N 3.13Å; L126-C130 PolarHBondContact O-SG 3.04Å; L126-V138 HydrophobicContact CD1-CB 4.42Å; L126-V138 HydrophobicContact CD1-CG1 4.02Å; L126-V138 HydrophobicContact CD1-CG2 4.43Å; L126-L141 HydrophobicContact CB-CD1 4.14Å; L126-L141 HydrophobicContact CD1-CB 4.35Å; L126-L141 HydrophobicContact CD1-CD1 4.36Å; L126-L142 HydrophobicContact CD1-CD1 4.31Å; L126-L142 HydrophobicContact CD1-CD2 4.23Å; L126-L142 HydrophobicContact CD1-CG 4.02Å; L126-L142 HydrophobicContact CD2-CD2 3.6Å; L126-L142 HydrophobicContact CD2-CG 4.29Å; L126-A146 HydrophobicContact CD2-CB 4.32Å; L126-P158 HydrophobicContact CB-CG 4.45Å; L126-P158 HydrophobicContact CD2-CB 4.22Å; L126-P158 HydrophobicContact CD2-CG 3.69Å; L126-P158 HydrophobicContact CG-CB 4.01Å; L126-P158 HydrophobicContact CG-CG 3.76Å
127H95.8Very high93.4Very high1 Ų139.7 Ų39.71%0.00524%0.237CC..Hα-helixtrans-60.1-48.7172.3-69.688.1000110.5I123 T124 A129 C130 I131 Q150 W156 P158I123-H127 HydrophobicContact CG2-CB 3.68Å; T124-H127 PolarHBondContact O-N 3.01Å; T124-H127 VanDerWaalsContact O-N 3.09Å; T124-H127 PolarHBondContact OG1-ND1 3.16Å; H127-A129 VanDerWaalsContact C-N 3.32Å; H127-A129 PolarHBondContact O-N 3.11Å; H127-C130 WeakPolarHBondContact O-CB 3.4Å; H127-C130 PolarHBondContact O-N 2.93Å; H127-C130 VanDerWaalsContact O-N 3.07Å; H127-I131 WeakPolarHBondContact O-CG1 3.39Å; H127-I131 PolarHBondContact O-N 3.3Å; H127-Q150 PolarHBondContact CE1-O 3.22Å; H127-Q150 VanDerWaalsContact CE1-O 3.24Å; H127-W156 PolarHBondContact NE2-O 2.64Å; H127-P158 WeakPolarHBondContact NE2-CD 3.41Å
128Q94.8Very high93.7Very high65 Ų6539 Ų3930%0.30423%0.232SC..Hα-helixtrans-59.9-40.3178.2-173.8605800112.3A84 T124 C130 I131 D132A84-Q128 HydrophobicContact CB-CG 4.38Å; T124-Q128 PolarHBondContact O-N 3.1Å; Q128-C130 VanDerWaalsContact C-N 3.29Å; Q128-C130 PolarHBondContact O-N 3.02Å; Q128-I131 PolarHBondContact O-N 3.43Å; Q128-D132 PolarHBondContact NE2-OD2 2.95Å; Q128-D132 WeakPolarHBondContact O-CB 3.41Å; Q128-D132 PolarHBondContact O-N 3.29Å
129A95.2Very high93.8Very high3 Ų338 Ų383%0.02522%0.223CC..Hα-helixtrans-63-33.1175.700000113.3A125 L126 H127 G133 S134 I137 V138 L141A125-A129 WeakPolarHBondContact O-CB 3.48Å; A125-A129 PolarHBondContact O-N 3.48Å; L126-A129 PolarHBondContact O-N 3.33Å; H127-A129 VanDerWaalsContact C-N 3.32Å; H127-A129 PolarHBondContact O-N 3.11Å; A129-G133 PolarHBondContact O-N 3.37Å; A129-S134 PolarHBondContact O-N 3.4Å; A129-I137 HydrophobicContact CB-CB 3.91Å; A129-I137 HydrophobicContact CB-CG2 3.78Å; A129-V138 HydrophobicContact CB-CG2 3.75Å; A129-L141 HydrophobicContact CB-CD1 4.36Å
130C95.8Very high94Very high0 Ų035.8 Ų35.80%021%0.211CC..Hα-helixtrans-71.4-42.5172.1-65.30000112L126 H127 Q128 D132 G133 V161 Y167L126-C130 PolarHBondContact O-N 3.45Å; L126-C130 VanDerWaalsContact O-N 3.13Å; L126-C130 PolarHBondContact O-SG 3.04Å; H127-C130 WeakPolarHBondContact O-CB 3.4Å; H127-C130 PolarHBondContact O-N 2.93Å; H127-C130 VanDerWaalsContact O-N 3.07Å; Q128-C130 VanDerWaalsContact C-N 3.29Å; Q128-C130 PolarHBondContact O-N 3.02Å; C130-D132 VanDerWaalsContact C-N 3.33Å; C130-D132 PolarHBondContact O-N 3.35Å; C130-G133 PolarHBondContact O-N 3.25Å; C130-V161 HydrophobicContact CB-CB 4.18Å; C130-V161 HydrophobicContact CB-CG1 3.62Å; C130-Y167 VanDerWaalsContact O-CD2 3.28Å; C130-Y167 WeakPolarHBondContact O-CD2 3.3Å; C130-Y167 VanDerWaalsContact O-CE2 3.29Å; C130-Y167 WeakPolarHBondContact O-CE2 3.29Å
131I94.9Very high94.2Very high72 Ų7230.9 Ų30.937%0.36917%0.17SC..Hα-helixtrans-59.6-43.4173.5-61.1170.9000111H127 Q128 G133 V161H127-I131 WeakPolarHBondContact O-CG1 3.39Å; H127-I131 PolarHBondContact O-N 3.3Å; Q128-I131 PolarHBondContact O-N 3.43Å; I131-G133 PolarHBondContact O-N 3.23Å; I131-V161 HydrophobicContact CB-CG1 4.45Å; I131-V161 HydrophobicContact CG1-CG1 3.52Å
132D93.1Very high94.4Very high59 Ų5927.7 Ų27.732%0.31615%0.153SC..THydrogen-bonded Turntrans-77.10.9-179.9-89.9-62000114.4Q128 C130 S134Q128-D132 PolarHBondContact NE2-OD2 2.95Å; Q128-D132 WeakPolarHBondContact O-CB 3.41Å; Q128-D132 PolarHBondContact O-N 3.29Å; C130-D132 VanDerWaalsContact C-N 3.33Å; C130-D132 PolarHBondContact O-N 3.35Å; D132-S134 PolarHBondContact O-N 3.41Å; D132-S134 PolarHBondContact O-OG 3.22Å
133G93.8Very high94.5Very high28 Ų2833.4 Ų33.429%0.28918%0.175SC..THydrogen-bonded Turntrans59.427.718000000114.1A129 C130 I131A129-G133 PolarHBondContact O-N 3.37Å; C130-G133 PolarHBondContact O-N 3.25Å; I131-G133 PolarHBondContact O-N 3.23Å
134S94.1Very high94.3Very high18 Ų1834.6 Ų34.613%0.12618%0.18CC..  trans-105.980.5-164.1-63.80000111.6A129 D132 E136 I137 V138A129-S134 PolarHBondContact O-N 3.4Å; D132-S134 PolarHBondContact O-N 3.41Å; D132-S134 PolarHBondContact O-OG 3.22Å; S134-E136 PolarHBondContact O-N 3.1Å; S134-E136 VanDerWaalsContact O-N 3.17Å; S134-I137 WeakPolarHBondContact O-CB 3.33Å; S134-I137 PolarHBondContact O-N 2.85Å; S134-V138 PolarHBondContact O-N 3.23Å
135I94.3Very high94Very high56 Ų5636.9 Ų36.929%0.28720%0.204SC..Hα-helixtrans-53.7-34.9-175.3-174.563.2000113.3I137 V138 T139 I170 F173I135-I137 PolarHBondContact O-N 2.76Å; I135-V138 HydrophobicContact CD1-CB 4.49Å; I135-V138 PolarHBondContact O-N 2.98Å; I135-T139 HydrophobicContact CD1-CG2 4.27Å; I135-T139 HydrophobicContact CG1-CG2 4.22Å; I135-T139 WeakPolarHBondContact O-CG2 3.44Å; I135-T139 PolarHBondContact O-N 3.25Å; I135-T139 PolarHBondContact O-OG1 2.91Å; I135-I170 HydrophobicContact CB-CG1 4.32Å; I135-I170 HydrophobicContact CD1-CG1 4.03Å; I135-F173 HydrophobicContact CD1-CB 4.1Å; I135-F173 HydrophobicContact CD1-CD1 4.32Å; I135-F173 HydrophobicContact CD1-CG 4.22Å
136E94.1Very high94Very high129 Ų12937.2 Ų37.260%0.60321%0.207SC*.Hα-helixtrans-66.1-22.2179.2-56.192.6152.300113.6S134 T139 F140S134-E136 PolarHBondContact O-N 3.1Å; S134-E136 VanDerWaalsContact O-N 3.17Å; E136-T139 WeakPolarHBondContact CA-OG1 3.38Å; E136-T139 PolarHBondContact O-OG1 3.17Å; E136-T139 VanDerWaalsContact O-OG1 3.1Å; E136-F140 WeakPolarHBondContact O-CB 3.48Å; E136-F140 PolarHBondContact O-N 3.01Å
137I94.2Very high93.8Very high13 Ų1338.3 Ų38.37%0.06722%0.218CC..Hα-helixtrans-88.8-38.8176.6-49.4174.4000109.3C83 A129 S134 I135 F140 L141C83-I137 HydrophobicContact CB-CG2 4.49Å; C83-I137 WeakPolarHBondContact O-CD1 3.49Å; A129-I137 HydrophobicContact CB-CB 3.91Å; A129-I137 HydrophobicContact CB-CG2 3.78Å; S134-I137 WeakPolarHBondContact O-CB 3.33Å; S134-I137 PolarHBondContact O-N 2.85Å; I135-I137 PolarHBondContact O-N 2.76Å; I137-F140 PolarHBondContact O-N 2.9Å; I137-L141 HydrophobicContact CG2-CD1 4.02Å; I137-L141 HydrophobicContact CG2-CG 4.39Å; I137-L141 WeakPolarHBondContact O-CB 3.45Å; I137-L141 VanDerWaalsContact O-CG 3.29Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.22Å
138V95.7Very high93.7Very high0 Ų039.3 Ų39.30%022%0.224CC..Hα-helixtrans-60.8-45172.8177.40000111L126 A129 S134 I135 L142 I170 F173L126-V138 HydrophobicContact CD1-CB 4.42Å; L126-V138 HydrophobicContact CD1-CG1 4.02Å; L126-V138 HydrophobicContact CD1-CG2 4.43Å; A129-V138 HydrophobicContact CB-CG2 3.75Å; S134-V138 PolarHBondContact O-N 3.23Å; I135-V138 HydrophobicContact CD1-CB 4.49Å; I135-V138 PolarHBondContact O-N 2.98Å; V138-L142 HydrophobicContact CG1-CD1 3.89Å; V138-L142 WeakPolarHBondContact O-CB 3.46Å; V138-L142 VanDerWaalsContact O-CG 3.28Å; V138-L142 WeakPolarHBondContact O-CG 3.32Å; V138-L142 PolarHBondContact O-N 3.24Å; V138-L142 VanDerWaalsContact O-N 3.11Å; V138-I170 HydrophobicContact CG1-CG2 4.37Å; V138-I170 HydrophobicContact CG2-CG2 4.21Å; V138-F173 HydrophobicContact CG1-CD1 4Å; V138-F173 HydrophobicContact CG1-CE1 4.38Å
139T95.2Very high93.7Very high37 Ų3739.8 Ų39.823%0.22723%0.229CC..Hα-helixtrans-62.3-49.9175.556.20000111.1I135 E136 L141 L142 E143 F173I135-T139 HydrophobicContact CD1-CG2 4.27Å; I135-T139 HydrophobicContact CG1-CG2 4.22Å; I135-T139 WeakPolarHBondContact O-CG2 3.44Å; I135-T139 PolarHBondContact O-N 3.25Å; I135-T139 PolarHBondContact O-OG1 2.91Å; E136-T139 WeakPolarHBondContact CA-OG1 3.38Å; E136-T139 PolarHBondContact O-OG1 3.17Å; E136-T139 VanDerWaalsContact O-OG1 3.1Å; T139-L141 PolarHBondContact O-N 3.22Å; T139-L142 PolarHBondContact O-N 3.14Å; T139-E143 WeakPolarHBondContact O-CB 3.32Å; T139-E143 WeakPolarHBondContact O-CG 3.28Å; T139-E143 PolarHBondContact O-N 2.76Å; T139-F173 HydrophobicContact CG2-CD1 4.33Å; T139-F173 HydrophobicContact CG2-CE1 3.75Å; T139-F173 HydrophobicContact CG2-CE2 4Å; T139-F173 HydrophobicContact CG2-CZ 3.55Å
140F94.5Very high93.7Very high19 Ų1943.3 Ų43.38%0.08325%0.245CC..Hα-helixtrans-55.1-51.2178.6170.1-99.7000112.5T88 A91 K92 L95 E136 I137 L142 E143 H144T88-F140 HydrophobicContact CG2-CB 4.25Å; T88-F140 HydrophobicContact CG2-CD1 4.33Å; T88-F140 HydrophobicContact CG2-CG 4.12Å; A91-F140 HydrophobicContact CB-CE1 3.78Å; A91-F140 HydrophobicContact CB-CZ 4.05Å; K92-F140 HydrophobicContact CB-CE2 3.79Å; K92-F140 HydrophobicContact CB-CZ 3.9Å; K92-F140 HydrophobicContact CD-CE2 4.22Å; K92-F140 HydrophobicContact CG-CE2 4.14Å; L95-F140 HydrophobicContact CD1-CE1 4.45Å; L95-F140 HydrophobicContact CD1-CZ 4.09Å; E136-F140 WeakPolarHBondContact O-CB 3.48Å; E136-F140 PolarHBondContact O-N 3.01Å; I137-F140 PolarHBondContact O-N 2.9Å; F140-L142 PolarHBondContact O-N 3.08Å; F140-E143 PolarHBondContact O-N 2.94Å; F140-H144 AromaticContact CD2-CE1 3.47Å; F140-H144 VanDerWaalsContact CD2-CE1 3.47Å; F140-H144 WeakPolarHBondContact CD2-CE1 3.34Å; F140-H144 AromaticContact CD2-ND1 3.64Å; F140-H144 AromaticContact CE2-CE1 3.24Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.25Å; F140-H144 AromaticContact CE2-ND1 3.56Å; F140-H144 AromaticContact CE2-NE2 3.8Å; F140-H144 PolarHBondContact O-N 2.91Å; F140-H144 VanDerWaalsContact O-N 3.16Å; F140-H144 PolarHBondContact O-ND1 3.07Å
141L94.4Very high93.6Very high0 Ų046.4 Ų46.40%026%0.264CS..Hα-helixtrans-63.5-42.3-179.3-71.7171.1000112.1F79 I115 A125 L126 A129 I137 T139 E143 H144 G145 A146F79-L141 HydrophobicContact CE1-CD2 4.13Å; F79-L141 HydrophobicContact CZ-CD2 3.78Å; I115-L141 HydrophobicContact CD1-CD2 4.4Å; I115-L141 HydrophobicContact CG1-CD2 4.02Å; A125-L141 HydrophobicContact CB-CD1 3.87Å; A125-L141 HydrophobicContact CB-CD2 4.17Å; L126-L141 HydrophobicContact CB-CD1 4.14Å; L126-L141 HydrophobicContact CD1-CB 4.35Å; L126-L141 HydrophobicContact CD1-CD1 4.36Å; A129-L141 HydrophobicContact CB-CD1 4.36Å; I137-L141 HydrophobicContact CG2-CD1 4.02Å; I137-L141 HydrophobicContact CG2-CG 4.39Å; I137-L141 WeakPolarHBondContact O-CB 3.45Å; I137-L141 VanDerWaalsContact O-CG 3.29Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.22Å; T139-L141 PolarHBondContact O-N 3.22Å; L141-E143 VanDerWaalsContact C-N 3.29Å; L141-E143 PolarHBondContact O-N 3.19Å; L141-H144 PolarHBondContact O-N 3.48Å; L141-G145 PolarHBondContact O-N 3.13Å; L141-A146 HydrophobicContact CB-CB 3.92Å; L141-A146 VanDerWaalsContact O-CB 3.3Å; L141-A146 WeakPolarHBondContact O-CB 3.41Å; L141-A146 PolarHBondContact O-N 3.39Å
142L93.9Very high93.5Very high15 Ų1543.9 Ų43.98%0.07925%0.251CS..Hα-helixtrans-78.1-9.4179.8-65.6-179.4000114.2L126 V138 T139 F140 A146 V148 F173 L174 K177L126-L142 HydrophobicContact CD1-CD1 4.31Å; L126-L142 HydrophobicContact CD1-CD2 4.23Å; L126-L142 HydrophobicContact CD1-CG 4.02Å; L126-L142 HydrophobicContact CD2-CD2 3.6Å; L126-L142 HydrophobicContact CD2-CG 4.29Å; V138-L142 HydrophobicContact CG1-CD1 3.89Å; V138-L142 WeakPolarHBondContact O-CB 3.46Å; V138-L142 VanDerWaalsContact O-CG 3.28Å; V138-L142 WeakPolarHBondContact O-CG 3.32Å; V138-L142 PolarHBondContact O-N 3.24Å; V138-L142 VanDerWaalsContact O-N 3.11Å; T139-L142 PolarHBondContact O-N 3.14Å; F140-L142 PolarHBondContact O-N 3.08Å; L142-A146 HydrophobicContact CD2-CB 4.28Å; L142-A146 VanDerWaalsContact CD2-O 3.32Å; L142-A146 WeakPolarHBondContact CD2-O 3.45Å; L142-V148 HydrophobicContact CD2-CB 4.38Å; L142-V148 HydrophobicContact CD2-CG2 3.58Å; L142-F173 HydrophobicContact CB-CE1 4.35Å; L142-F173 HydrophobicContact CD1-CD1 4.18Å; L142-F173 HydrophobicContact CD1-CE1 3.97Å; L142-L174 HydrophobicContact CD1-CD2 3.81Å; L142-K177 HydrophobicContact CB-CD 4.37Å; L142-K177 HydrophobicContact CD1-CB 4.29Å; L142-K177 HydrophobicContact CD1-CG 4.09Å; L142-K177 PolarHBondContact O-NZ 2.99Å
143E92.8Very high93.4Very high137 Ų13744 Ų4464%0.6426%0.256SS*.Hα-helixtrans-87.7-30167.7-76.3176.1-178.800112.1T139 F140 L141T139-E143 WeakPolarHBondContact O-CB 3.32Å; T139-E143 WeakPolarHBondContact O-CG 3.28Å; T139-E143 PolarHBondContact O-N 2.76Å; F140-E143 PolarHBondContact O-N 2.94Å; L141-E143 VanDerWaalsContact C-N 3.29Å; L141-E143 PolarHBondContact O-N 3.19Å
144H89.8Confident93.2Very high68 Ų6848 Ų4832%0.31527%0.268SS..THydrogen-bonded Turntrans-91.76.7176.7-63.676.1000113.5L95 I115 F140 L141L95-H144 HydrophobicContact CD1-CB 4.09Å; I115-H144 HydrophobicContact CD1-CB 3.47Å; I115-H144 VanDerWaalsContact CD1-CB 3.47Å; I115-H144 WeakPolarHBondContact CD1-O 3.4Å; F140-H144 AromaticContact CD2-CE1 3.47Å; F140-H144 VanDerWaalsContact CD2-CE1 3.47Å; F140-H144 WeakPolarHBondContact CD2-CE1 3.34Å; F140-H144 AromaticContact CD2-ND1 3.64Å; F140-H144 AromaticContact CE2-CE1 3.24Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.25Å; F140-H144 AromaticContact CE2-ND1 3.56Å; F140-H144 AromaticContact CE2-NE2 3.8Å; F140-H144 PolarHBondContact O-N 2.91Å; F140-H144 VanDerWaalsContact O-N 3.16Å; F140-H144 PolarHBondContact O-ND1 3.07Å; L141-H144 PolarHBondContact O-N 3.48Å
145G88.4Confident93.1Very high51 Ų5147.9 Ų47.953%0.52627%0.269SS..THydrogen-bonded Turntrans97.322168.100000116.6L141L141-G145 PolarHBondContact O-N 3.13Å
146A92.5Very high93.1Very high8 Ų847.4 Ų47.47%0.06626%0.264CS..  trans-62.7143.7171.500000112.2I115 L126 L141 L142 V148I115-A146 HydrophobicContact CD1-CB 4.27Å; I115-A146 HydrophobicContact CG1-CB 4.28Å; I115-A146 HydrophobicContact CG2-CB 4.46Å; L126-A146 HydrophobicContact CD2-CB 4.32Å; L141-A146 HydrophobicContact CB-CB 3.92Å; L141-A146 VanDerWaalsContact O-CB 3.3Å; L141-A146 WeakPolarHBondContact O-CB 3.41Å; L141-A146 PolarHBondContact O-N 3.39Å; L142-A146 HydrophobicContact CD2-CB 4.28Å; L142-A146 VanDerWaalsContact CD2-O 3.32Å; L142-A146 WeakPolarHBondContact CD2-O 3.45Å; A146-V148 PolarHBondContact O-N 3.19Å; A146-V148 VanDerWaalsContact O-N 3.14Å
147G92.4Very high93.2Very high25 Ų2541.3 Ų41.326%0.25824%0.235SC..  trans-72.9101.3-176.700000112N116 N149 Q150N116-G147 PolarHBondContact OD1-N 2.97Å; G147-N149 PolarHBondContact O-N 3.31Å; G147-N149 VanDerWaalsContact O-N 3.08Å; G147-Q150 VanDerWaalsContact O-CB 3.32Å; G147-Q150 WeakPolarHBondContact O-CB 3.29Å; G147-Q150 PolarHBondContact O-N 3.29Å
148V94.9Very high93.3Very high22 Ų2240.7 Ų40.713%0.13323%0.232CC..THydrogen-bonded Turntrans-50.8-34.2177.2-170.90000112.8L142 A146 P158 L174 K177 A179L142-V148 HydrophobicContact CD2-CB 4.38Å; L142-V148 HydrophobicContact CD2-CG2 3.58Å; A146-V148 PolarHBondContact O-N 3.19Å; A146-V148 VanDerWaalsContact O-N 3.14Å; V148-P158 WeakPolarHBondContact O-CD 3.33Å; V148-L174 HydrophobicContact CG1-CD2 4.04Å; V148-K177 HydrophobicContact CG1-CB 4.5Å; V148-K177 HydrophobicContact CG2-CB 4.02Å; V148-A179 HydrophobicContact CG1-CB 3.63Å
149N94.8Very high93.4Very high75 Ų7540.7 Ų40.740%0.40123%0.232SC..THydrogen-bonded Turntrans-111.621.2-177.6-62.3-51.8000112.9G147 G178 A179 S180G147-N149 PolarHBondContact O-N 3.31Å; G147-N149 VanDerWaalsContact O-N 3.08Å; N149-G178 PolarHBondContact ND2-O 3.33Å; N149-A179 WeakPolarHBondContact OD1-CA 3.28Å; N149-S180 WeakPolarHBondContact OD1-CB 3.47Å; N149-S180 PolarHBondContact OD1-N 3.46Å
150Q93.3Very high93.4Very high78 Ų7838.9 Ų38.936%0.36422%0.221SC..  trans-63.1137.9169.5-177.353.953.400108.9T124 H127 G147 P158T124-Q150 HydrophobicContact CG2-CG 3.86Å; H127-Q150 PolarHBondContact CE1-O 3.22Å; H127-Q150 VanDerWaalsContact CE1-O 3.24Å; G147-Q150 VanDerWaalsContact O-CB 3.32Å; G147-Q150 WeakPolarHBondContact O-CB 3.29Å; G147-Q150 PolarHBondContact O-N 3.29Å; Q150-P158 WeakPolarHBondContact O-CD 3.5Å
151V94.1Very high93.5Very high64 Ų6438.6 Ų38.639%0.38822%0.221SC..  trans-103.3153.9174.3-68.30000112.1G155 W156 T157V151-G155 WeakPolarHBondContact CG1-O 3.13Å; V151-W156 WeakPolarHBondContact CA-O 3.35Å; V151-T157 HydrophobicContact CG1-CG2 3.68Å
152D93.3Very high93.6Very high19 Ų1938.6 Ų38.610%0.10222%0.221CC..  trans-90.1-161.9169.567.614.1000112.5I123 E154 G155 W156I123-D152 HydrophobicContact CG1-CB 4.43Å; D152-E154 VanDerWaalsContact C-N 3.34Å; D152-E154 PolarHBondContact OD1-N 2.69Å; D152-G155 PolarHBondContact OD1-N 2.96Å; D152-G155 VanDerWaalsContact OD1-N 3.15Å; D152-W156 PolarHBondContact N-O 3.12Å; D152-W156 VanDerWaalsContact N-O 3.17Å; D152-W156 PolarHBondContact OD1-N 3.05Å
153S90.6Very high93.7Very high61 Ų6137.9 Ų37.943%0.42722%0.217SC..THydrogen-bonded Turntrans-70.1-27.517959.60000114.2D121D121-S153 WeakPolarHBondContact O-CB 3.45Å; D121-S153 PolarHBondContact O-N 3.37Å; D121-S153 PolarHBondContact O-OG 3.18Å
154E89.7Confident93.8Very high113 Ų11333.3 Ų33.353%0.52820%0.2SC..THydrogen-bonded Turntrans-95.99-177.9-63.4-177.9173.400111.9D152 W156 C186D152-E154 VanDerWaalsContact C-N 3.34Å; D152-E154 PolarHBondContact OD1-N 2.69Å; E154-W156 PolarHBondContact O-N 3.37Å; E154-C186 VanDerWaalsContact C-SG 3.51Å; E154-C186 VanDerWaalsContact O-CB 3.27Å; E154-C186 WeakPolarHBondContact O-CB 3.32Å; E154-C186 PolarHBondContact O-N 2.82Å; E154-C186 PolarHBondContact O-SG 3.39Å; E154-C186 VanDerWaalsContact O-SG 3.39Å
155G92Very high94.1Very high15 Ų1531.9 Ų31.916%0.15520%0.198CC..SBendtrans74.85.4179.800000114.2V151 D152V151-G155 WeakPolarHBondContact CG1-O 3.13Å; D152-G155 PolarHBondContact OD1-N 2.96Å; D152-G155 VanDerWaalsContact OD1-N 3.15Å
156W95.1Very high94.3Very high46 Ų4630 Ų3017%0.17418%0.178CC..  trans-68.8152.3176.2-71.959.1000109.7H127 V151 D152 E154 H160 V161 N185 I194H127-W156 PolarHBondContact NE2-O 2.64Å; V151-W156 WeakPolarHBondContact CA-O 3.35Å; D152-W156 PolarHBondContact N-O 3.12Å; D152-W156 VanDerWaalsContact N-O 3.17Å; D152-W156 PolarHBondContact OD1-N 3.05Å; E154-W156 PolarHBondContact O-N 3.37Å; W156-H160 HydrophobicContact CB-CB 4.29Å; W156-H160 HydrophobicContact CD2-CB 4.09Å; W156-H160 HydrophobicContact CE3-CB 3.56Å; W156-H160 HydrophobicContact CG-CB 4.42Å; W156-H160 HydrophobicContact CZ3-CB 4.25Å; W156-V161 HydrophobicContact CE3-CG2 4.18Å; W156-N185 HydrophobicContact CG-CB 4.39Å; W156-N185 PolarHBondContact NE1-ND2 3.16Å; W156-I194 HydrophobicContact CH2-CD1 3.82Å; W156-I194 HydrophobicContact CH2-CG2 3.9Å; W156-I194 HydrophobicContact CZ2-CD1 3.88Å; W156-I194 HydrophobicContact CZ3-CD1 4.18Å; W156-I194 HydrophobicContact CZ3-CG2 4.43Å
157T96.3Very high94.4Very high1 Ų133.8 Ų33.81%0.00619%0.191CC..  trans-117.4166.4173.564.10000109.6V151 L159 H160 V161 A183V151-T157 HydrophobicContact CG1-CG2 3.68Å; T157-L159 PolarHBondContact O-N 3.32Å; T157-L159 PolarHBondContact OG1-N 3.15Å; T157-H160 PolarHBondContact N-ND1 2.82Å; T157-H160 VanDerWaalsContact N-ND1 3.17Å; T157-H160 WeakPolarHBondContact O-CB 3.25Å; T157-H160 PolarHBondContact O-N 3.07Å; T157-H160 PolarHBondContact OG1-N 2.77Å; T157-H160 PolarHBondContact OG1-ND1 2.95Å; T157-V161 PolarHBondContact O-N 3.04Å; T157-V161 VanDerWaalsContact O-N 3.11Å; T157-A183 HydrophobicContact CG2-CB 3.69Å
158P96.3Very high94.5Very high0 Ų034.2 Ų34.20%019%0.189CC..Hα-helixtrans-54.8-25.9173.7-27.336.3000113.7L126 H127 V148 Q150 A162 L174L126-P158 HydrophobicContact CB-CG 4.45Å; L126-P158 HydrophobicContact CD2-CB 4.22Å; L126-P158 HydrophobicContact CD2-CG 3.69Å; L126-P158 HydrophobicContact CG-CB 4.01Å; L126-P158 HydrophobicContact CG-CG 3.76Å; H127-P158 WeakPolarHBondContact NE2-CD 3.41Å; V148-P158 WeakPolarHBondContact O-CD 3.33Å; Q150-P158 WeakPolarHBondContact O-CD 3.5Å; P158-A162 WeakPolarHBondContact O-CB 3.37Å; P158-A162 PolarHBondContact O-N 2.96Å; P158-L174 HydrophobicContact CB-CD1 4.13Å; P158-L174 HydrophobicContact CB-CD2 4.01Å; P158-L174 WeakPolarHBondContact O-CD1 3.32Å
159L96.8Very high94.6Very high0 Ų039.4 Ų39.40%022%0.216CC..Hα-helixtrans-75.5-39.2175.6-171.563.3000112.8T157 V161 A162 A163 A171 L174 L175 A179 L181 P191 L204T157-L159 PolarHBondContact O-N 3.32Å; T157-L159 PolarHBondContact OG1-N 3.15Å; L159-V161 VanDerWaalsContact C-N 3.32Å; L159-A162 PolarHBondContact O-N 2.96Å; L159-A163 WeakPolarHBondContact O-CB 3.39Å; L159-A163 PolarHBondContact O-N 2.93Å; L159-A171 HydrophobicContact CD1-CB 3.94Å; L159-L174 HydrophobicContact CB-CD1 4.48Å; L159-L174 HydrophobicContact CD1-CB 4.18Å; L159-L174 HydrophobicContact CD1-CD1 4.33Å; L159-L175 HydrophobicContact CD1-CG 4.18Å; L159-L175 HydrophobicContact CD2-CD2 3.8Å; L159-L175 HydrophobicContact CD2-CG 4.28Å; L159-A179 HydrophobicContact CB-CB 4.19Å; L159-A179 HydrophobicContact CD2-CB 3.85Å; L159-A179 HydrophobicContact CG-CB 4.42Å; L159-L181 HydrophobicContact CD2-CD2 4.32Å; L159-P191 HydrophobicContact CB-CB 4.48Å; L159-P191 HydrophobicContact CB-CG 4.18Å; L159-P191 HydrophobicContact CD2-CB 4.17Å; L159-P191 HydrophobicContact CD2-CG 3.98Å; L159-P191 HydrophobicContact CG-CB 3.85Å; L159-P191 HydrophobicContact CG-CG 3.92Å; L159-L204 HydrophobicContact CD1-CD2 4.23Å; L159-L204 HydrophobicContact CD2-CD2 4.3Å; L159-L204 HydrophobicContact CG-CD2 4.4Å
160H96.6Very high94.7Very high0 Ų036.1 Ų36.10%020%0.198CC..Hα-helixtrans-58.8-46.9170.6-6994.7000110.5W156 T157 A162 A163 S164 A183 D189 P191W156-H160 HydrophobicContact CB-CB 4.29Å; W156-H160 HydrophobicContact CD2-CB 4.09Å; W156-H160 HydrophobicContact CE3-CB 3.56Å; W156-H160 HydrophobicContact CG-CB 4.42Å; W156-H160 HydrophobicContact CZ3-CB 4.25Å; T157-H160 PolarHBondContact N-ND1 2.82Å; T157-H160 VanDerWaalsContact N-ND1 3.17Å; T157-H160 WeakPolarHBondContact O-CB 3.25Å; T157-H160 PolarHBondContact O-N 3.07Å; T157-H160 PolarHBondContact OG1-N 2.77Å; T157-H160 PolarHBondContact OG1-ND1 2.95Å; H160-A162 PolarHBondContact O-N 3.35Å; H160-A163 PolarHBondContact O-N 3.37Å; H160-S164 VanDerWaalsContact O-CB 3.28Å; H160-S164 WeakPolarHBondContact O-CB 3.34Å; H160-S164 PolarHBondContact O-N 2.88Å; H160-A183 PolarHBondContact CE1-O 2.97Å; H160-A183 PolarHBondContact NE2-O 3.48Å; H160-D189 PolarHBondContact NE2-O 3.2Å; H160-P191 WeakPolarHBondContact NE2-CD 3.3Å
161V95.8Very high94.8Very high12 Ų1232.4 Ų32.47%0.07318%0.181CC..Hα-helixtrans-59.7-47.4177.1174.80000111.5C130 I131 W156 T157 L159 A163 S164 C165C130-V161 HydrophobicContact CB-CB 4.18Å; C130-V161 HydrophobicContact CB-CG1 3.62Å; I131-V161 HydrophobicContact CB-CG1 4.45Å; I131-V161 HydrophobicContact CG1-CG1 3.52Å; W156-V161 HydrophobicContact CE3-CG2 4.18Å; T157-V161 PolarHBondContact O-N 3.04Å; T157-V161 VanDerWaalsContact O-N 3.11Å; L159-V161 VanDerWaalsContact C-N 3.32Å; V161-A163 VanDerWaalsContact C-N 3.32Å; V161-A163 PolarHBondContact O-N 3.17Å; V161-S164 PolarHBondContact O-N 3.24Å; V161-C165 VanDerWaalsContact O-CB 3.3Å; V161-C165 WeakPolarHBondContact O-CB 3.42Å; V161-C165 PolarHBondContact O-N 2.96Å; V161-C165 PolarHBondContact O-SG 3.29Å
162A95.9Very high94.9Very high0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-64.6-33.9179.700000113.3P158 L159 H160 G166 Y167 I170 A171 L174P158-A162 WeakPolarHBondContact O-CB 3.37Å; P158-A162 PolarHBondContact O-N 2.96Å; L159-A162 PolarHBondContact O-N 2.96Å; H160-A162 PolarHBondContact O-N 3.35Å; A162-G166 PolarHBondContact O-N 3Å; A162-Y167 PolarHBondContact O-N 3.17Å; A162-I170 HydrophobicContact CB-CB 4.35Å; A162-I170 HydrophobicContact CB-CG2 3.89Å; A162-A171 HydrophobicContact CB-CB 4.26Å; A162-L174 HydrophobicContact CB-CD1 3.89Å
163A96.1Very high95Very high0 Ų033.7 Ų33.70%018%0.182CC..Hα-helixtrans-71-48.5174.500000111.9L159 H160 V161 C165 G166 P191 I194 L196 L204L159-A163 WeakPolarHBondContact O-CB 3.39Å; L159-A163 PolarHBondContact O-N 2.93Å; H160-A163 PolarHBondContact O-N 3.37Å; V161-A163 VanDerWaalsContact C-N 3.32Å; V161-A163 PolarHBondContact O-N 3.17Å; A163-C165 PolarHBondContact O-N 3.1Å; A163-G166 PolarHBondContact O-N 3.18Å; A163-G166 VanDerWaalsContact O-N 3.08Å; A163-P191 HydrophobicContact CB-CB 4.33Å; A163-P191 WeakPolarHBondContact CB-O 3.21Å; A163-I194 CarbonylContact C-O 3.48Å; A163-L196 PolarHBondContact O-N 3.02Å; A163-L204 HydrophobicContact CB-CD1 3.81Å
164S96.3Very high95.3Very high42 Ų4230.8 Ų30.829%0.29416%0.162SC..Hα-helixtrans-62.8-27.9177.5-177.90000113.4H160 V161 I194 L196H160-S164 VanDerWaalsContact O-CB 3.28Å; H160-S164 WeakPolarHBondContact O-CB 3.34Å; H160-S164 PolarHBondContact O-N 2.88Å; V161-S164 PolarHBondContact O-N 3.24Å; S164-I194 VanDerWaalsContact CA-O 3.25Å; S164-I194 WeakPolarHBondContact CA-O 3.29Å; S164-I194 PolarHBondContact N-O 2.87Å; S164-L196 WeakPolarHBondContact O-CB 3.49Å; S164-L196 WeakPolarHBondContact O-CD2 3.28Å
165C94.3Very high95.5Very high38 Ų3825.9 Ų25.926%0.25714%0.139SC..THydrogen-bonded Turntrans-90.1-3.1175.9-65.10000114.5V161 A163 Y167V161-C165 VanDerWaalsContact O-CB 3.3Å; V161-C165 WeakPolarHBondContact O-CB 3.42Å; V161-C165 PolarHBondContact O-N 2.96Å; V161-C165 PolarHBondContact O-SG 3.29Å; A163-C165 PolarHBondContact O-N 3.1Å; C165-Y167 HydrophobicContact CB-CD2 3.52Å; C165-Y167 HydrophobicContact CB-CE2 3.49Å; C165-Y167 VanDerWaalsContact CB-CE2 3.49Å; C165-Y167 HydrophobicContact CB-CG 4.26Å
166G93.7Very high95.6Very high10 Ų1031 Ų3110%0.10316%0.159CC..THydrogen-bonded Turntrans69.237.9-179.700000114.2A162 A163 P168A162-G166 PolarHBondContact O-N 3Å; A163-G166 PolarHBondContact O-N 3.18Å; A163-G166 VanDerWaalsContact O-N 3.08Å; G166-P168 WeakPolarHBondContact O-CD 3.49Å
167Y94.9Very high95.6Very high89 Ų8932.7 Ų32.735%0.34917%0.167SC..  trans-109.780.1-177-62.8-35.4000112.7C130 A162 C165 D169 I170 A171C130-Y167 VanDerWaalsContact O-CD2 3.28Å; C130-Y167 WeakPolarHBondContact O-CD2 3.3Å; C130-Y167 VanDerWaalsContact O-CE2 3.29Å; C130-Y167 WeakPolarHBondContact O-CE2 3.29Å; A162-Y167 PolarHBondContact O-N 3.17Å; C165-Y167 HydrophobicContact CB-CD2 3.52Å; C165-Y167 HydrophobicContact CB-CE2 3.49Å; C165-Y167 VanDerWaalsContact CB-CE2 3.49Å; C165-Y167 HydrophobicContact CB-CG 4.26Å; Y167-D169 VanDerWaalsContact C-N 3.33Å; Y167-D169 PolarHBondContact O-N 3.05Å; Y167-I170 HydrophobicContact CD2-CD1 4.03Å; Y167-I170 HydrophobicContact CG-CD1 4.18Å; Y167-I170 PolarHBondContact O-N 2.96Å; Y167-I170 VanDerWaalsContact O-N 3.16Å; Y167-A171 PolarHBondContact O-N 3.11Å
168P94.9Very high95.4Very high34 Ų3434.9 Ų34.922%0.22119%0.19CC..Hα-helixtrans-63.1-35.8-175.826.1-34.6000113G166 I170 A171 E172 T200 L203G166-P168 WeakPolarHBondContact O-CD 3.49Å; P168-I170 VanDerWaalsContact C-N 3.29Å; P168-I170 PolarHBondContact O-N 3.49Å; P168-A171 PolarHBondContact O-N 2.99Å; P168-E172 WeakPolarHBondContact O-CB 3.19Å; P168-E172 PolarHBondContact O-N 3.01Å; P168-T200 HydrophobicContact CB-CG2 3.94Å; P168-T200 HydrophobicContact CG-CG2 4.45Å; P168-L203 HydrophobicContact CB-CD1 4.49Å
169D95.8Very high95.3Very high130 Ų13035.1 Ų35.170%0.69519%0.192SC*.Hα-helixtrans-63-36.4177.7-58.5-18.6000111.9Y167 F173Y167-D169 VanDerWaalsContact C-N 3.33Å; Y167-D169 PolarHBondContact O-N 3.05Å; D169-F173 WeakPolarHBondContact O-CB 3.37Å; D169-F173 PolarHBondContact O-N 2.98Å
170I96.4Very high95.1Very high6 Ų636.9 Ų36.93%0.03120%0.204CC..Hα-helixtrans-76.8-43.8177.3-62.8179.6000110.1I135 V138 A162 Y167 P168 E172 F173 L174I135-I170 HydrophobicContact CB-CG1 4.32Å; I135-I170 HydrophobicContact CD1-CG1 4.03Å; V138-I170 HydrophobicContact CG1-CG2 4.37Å; V138-I170 HydrophobicContact CG2-CG2 4.21Å; A162-I170 HydrophobicContact CB-CB 4.35Å; A162-I170 HydrophobicContact CB-CG2 3.89Å; Y167-I170 HydrophobicContact CD2-CD1 4.03Å; Y167-I170 HydrophobicContact CG-CD1 4.18Å; Y167-I170 PolarHBondContact O-N 2.96Å; Y167-I170 VanDerWaalsContact O-N 3.16Å; P168-I170 VanDerWaalsContact C-N 3.29Å; P168-I170 PolarHBondContact O-N 3.49Å; I170-E172 VanDerWaalsContact C-N 3.35Å; I170-E172 PolarHBondContact O-N 3.38Å; I170-F173 PolarHBondContact O-N 3.43Å; I170-L174 HydrophobicContact CG2-CD1 3.93Å; I170-L174 HydrophobicContact CG2-CG 4.41Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.48Å; I170-L174 PolarHBondContact O-N 3.44Å
171A96.1Very high94.9Very high0 Ų037.2 Ų37.20%021%0.206CC..Hα-helixtrans-60.2-42.5176.200000111.8L159 A162 Y167 P168 L174 L175L159-A171 HydrophobicContact CD1-CB 3.94Å; A162-A171 HydrophobicContact CB-CB 4.26Å; Y167-A171 PolarHBondContact O-N 3.11Å; P168-A171 PolarHBondContact O-N 2.99Å; A171-L174 PolarHBondContact O-N 3.41Å; A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 WeakPolarHBondContact O-CD1 3.45Å; A171-L175 VanDerWaalsContact O-CG 3.27Å; A171-L175 WeakPolarHBondContact O-CG 3.39Å; A171-L175 PolarHBondContact O-N 3.47Å
172E95.4Very high94.7Very high70 Ų7039.6 Ų39.633%0.32722%0.221SC..Hα-helixtrans-64.7-44.7175.9-157-173.4-176.400111.7P168 I170 L174 L175 Q176 L203 Y207P168-E172 WeakPolarHBondContact O-CB 3.19Å; P168-E172 PolarHBondContact O-N 3.01Å; I170-E172 VanDerWaalsContact C-N 3.35Å; I170-E172 PolarHBondContact O-N 3.38Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 3.29Å; E172-L175 PolarHBondContact O-N 3.21Å; E172-Q176 WeakPolarHBondContact O-CG 3.4Å; E172-Q176 PolarHBondContact O-N 3.21Å; E172-Q176 PolarHBondContact OE1-NE2 2.93Å; E172-L203 HydrophobicContact CB-CD1 3.96Å; E172-L203 HydrophobicContact CB-CD2 4.46Å; E172-L203 HydrophobicContact CG-CD1 4.18Å; E172-Y207 HydrophobicContact CG-CE2 3.93Å; E172-Y207 WeakPolarHBondContact CG-OH 3.5Å; E172-Y207 PolarHBondContact OE1-OH 2.95Å
173F96.3Very high94.6Very high41 Ų4140.4 Ų40.418%0.1823%0.227CC..Hα-helixtrans-62.9-39.8178.4-173.3-101.6000112.3I135 V138 T139 L142 D169 I170 Q176 K177I135-F173 HydrophobicContact CD1-CB 4.1Å; I135-F173 HydrophobicContact CD1-CD1 4.32Å; I135-F173 HydrophobicContact CD1-CG 4.22Å; V138-F173 HydrophobicContact CG1-CD1 4Å; V138-F173 HydrophobicContact CG1-CE1 4.38Å; T139-F173 HydrophobicContact CG2-CD1 4.33Å; T139-F173 HydrophobicContact CG2-CE1 3.75Å; T139-F173 HydrophobicContact CG2-CE2 4Å; T139-F173 HydrophobicContact CG2-CZ 3.55Å; L142-F173 HydrophobicContact CB-CE1 4.35Å; L142-F173 HydrophobicContact CD1-CD1 4.18Å; L142-F173 HydrophobicContact CD1-CE1 3.97Å; D169-F173 WeakPolarHBondContact O-CB 3.37Å; D169-F173 PolarHBondContact O-N 2.98Å; I170-F173 PolarHBondContact O-N 3.43Å; F173-Q176 PolarHBondContact O-N 2.91Å; F173-K177 HydrophobicContact CD1-CG 4.32Å; F173-K177 HydrophobicContact CE1-CG 4.02Å; F173-K177 HydrophobicContact CZ-CD 4.39Å; F173-K177 HydrophobicContact CZ-CG 4.22Å; F173-K177 WeakPolarHBondContact O-CB 3.31Å; F173-K177 VanDerWaalsContact O-CG 3.25Å; F173-K177 WeakPolarHBondContact O-CG 3.42Å; F173-K177 PolarHBondContact O-N 3.3Å
174L96.2Very high94.4Very high0 Ų042.2 Ų42.20%024%0.239CC..Hα-helixtrans-60.4-46.1172.7-76.5167.7000111.7L142 V148 P158 L159 A162 I170 A171 E172 K177 G178 A179L142-L174 HydrophobicContact CD1-CD2 3.81Å; V148-L174 HydrophobicContact CG1-CD2 4.04Å; P158-L174 HydrophobicContact CB-CD1 4.13Å; P158-L174 HydrophobicContact CB-CD2 4.01Å; P158-L174 WeakPolarHBondContact O-CD1 3.32Å; L159-L174 HydrophobicContact CB-CD1 4.48Å; L159-L174 HydrophobicContact CD1-CB 4.18Å; L159-L174 HydrophobicContact CD1-CD1 4.33Å; A162-L174 HydrophobicContact CB-CD1 3.89Å; I170-L174 HydrophobicContact CG2-CD1 3.93Å; I170-L174 HydrophobicContact CG2-CG 4.41Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.48Å; I170-L174 PolarHBondContact O-N 3.44Å; A171-L174 PolarHBondContact O-N 3.41Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 3.29Å; L174-K177 CarbonylContact O-C 3.57Å; L174-K177 WeakPolarHBondContact O-CA 3.49Å; L174-K177 PolarHBondContact O-N 3.23Å; L174-K177 VanDerWaalsContact O-N 3.1Å; L174-G178 PolarHBondContact O-N 2.96Å; L174-A179 VanDerWaalsContact C-CB 3.49Å; L174-A179 HydrophobicContact CB-CB 3.94Å; L174-A179 VanDerWaalsContact O-CB 3.24Å; L174-A179 WeakPolarHBondContact O-CB 3.24Å; L174-A179 PolarHBondContact O-N 2.87Å
175L94.8Very high94.2Very high9 Ų940.4 Ų40.45%0.04723%0.226CC..Hα-helixtrans-63.4-41.9176.9-72.3164.1000112.4L159 A171 E172 K177 G178 A179 L181 L203 L204 Y207L159-L175 HydrophobicContact CD1-CG 4.18Å; L159-L175 HydrophobicContact CD2-CD2 3.8Å; L159-L175 HydrophobicContact CD2-CG 4.28Å; A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 WeakPolarHBondContact O-CD1 3.45Å; A171-L175 VanDerWaalsContact O-CG 3.27Å; A171-L175 WeakPolarHBondContact O-CG 3.39Å; A171-L175 PolarHBondContact O-N 3.47Å; E172-L175 PolarHBondContact O-N 3.21Å; L175-K177 PolarHBondContact O-N 3.38Å; L175-G178 PolarHBondContact O-N 3.41Å; L175-A179 HydrophobicContact CD2-CB 4.46Å; L175-L181 HydrophobicContact CD2-CD1 4.24Å; L175-L181 HydrophobicContact CD2-CD2 3.65Å; L175-L181 HydrophobicContact CD2-CG 3.75Å; L175-L203 HydrophobicContact CD1-CD2 3.63Å; L175-L204 HydrophobicContact CD1-CD2 4.11Å; L175-Y207 HydrophobicContact CB-CD1 4.1Å; L175-Y207 HydrophobicContact CB-CE1 4Å; L175-Y207 HydrophobicContact CD1-CD1 4.12Å; L175-Y207 HydrophobicContact CD1-CD2 3.99Å; L175-Y207 HydrophobicContact CD1-CE2 4.41Å; L175-Y207 HydrophobicContact CD1-CG 3.83Å
176Q94.2Very high93.9Very high124 Ų12441.8 Ų41.858%0.57924%0.235SC*.Hα-helixtrans-62.6-26.5173.4-70.5176.521.100112.7E172 F173E172-Q176 WeakPolarHBondContact O-CG 3.4Å; E172-Q176 PolarHBondContact O-N 3.21Å; E172-Q176 PolarHBondContact OE1-NE2 2.93Å; F173-Q176 PolarHBondContact O-N 2.91Å
177K94.7Very high93.5Very high80 Ų8045.8 Ų45.835%0.34825%0.254SS..THydrogen-bonded Turntrans-87.2-0.1174-68.1-78.3-172.4161.30113.8L142 V148 F173 L174 L175L142-K177 HydrophobicContact CB-CD 4.37Å; L142-K177 HydrophobicContact CD1-CB 4.29Å; L142-K177 HydrophobicContact CD1-CG 4.09Å; L142-K177 PolarHBondContact O-NZ 2.99Å; V148-K177 HydrophobicContact CG1-CB 4.5Å; V148-K177 HydrophobicContact CG2-CB 4.02Å; F173-K177 HydrophobicContact CD1-CG 4.32Å; F173-K177 HydrophobicContact CE1-CG 4.02Å; F173-K177 HydrophobicContact CZ-CD 4.39Å; F173-K177 HydrophobicContact CZ-CG 4.22Å; F173-K177 WeakPolarHBondContact O-CB 3.31Å; F173-K177 VanDerWaalsContact O-CG 3.25Å; F173-K177 WeakPolarHBondContact O-CG 3.42Å; F173-K177 PolarHBondContact O-N 3.3Å; L174-K177 CarbonylContact O-C 3.57Å; L174-K177 WeakPolarHBondContact O-CA 3.49Å; L174-K177 PolarHBondContact O-N 3.23Å; L174-K177 VanDerWaalsContact O-N 3.1Å; L175-K177 PolarHBondContact O-N 3.38Å
178G92.1Very high93.2Very high47 Ų4742.5 Ų42.549%0.48525%0.247SC..THydrogen-bonded Turntrans9430.4177.200000115.1N149 L174 L175N149-G178 PolarHBondContact ND2-O 3.33Å; L174-G178 PolarHBondContact O-N 2.96Å; L175-G178 PolarHBondContact O-N 3.41Å
179A94.6Very high93Very high5 Ų543.9 Ų43.94%0.04125%0.253CS..  trans-62.4141.3170.300000112V148 N149 L159 L174 L175V148-A179 HydrophobicContact CG1-CB 3.63Å; N149-A179 WeakPolarHBondContact OD1-CA 3.28Å; L159-A179 HydrophobicContact CB-CB 4.19Å; L159-A179 HydrophobicContact CD2-CB 3.85Å; L159-A179 HydrophobicContact CG-CB 4.42Å; L174-A179 VanDerWaalsContact C-CB 3.49Å; L174-A179 HydrophobicContact CB-CB 3.94Å; L174-A179 VanDerWaalsContact O-CB 3.24Å; L174-A179 WeakPolarHBondContact O-CB 3.24Å; L174-A179 PolarHBondContact O-N 2.87Å; L175-A179 HydrophobicContact CD2-CB 4.46Å
180S92.6Very high92.9Very high37 Ų3737.8 Ų37.826%0.25922%0.22SC..  trans-83.6119.3-177.9-176.20000111.3N149 T182 A183N149-S180 WeakPolarHBondContact OD1-CB 3.47Å; N149-S180 PolarHBondContact OD1-N 3.46Å; S180-T182 PolarHBondContact O-N 3.41Å; S180-T182 PolarHBondContact OG-N 2.93Å; S180-T182 PolarHBondContact OG-OG1 3.34Å; S180-A183 PolarHBondContact OG-N 3.34Å
181L91.4Very high92.8Very high7 Ų737.5 Ų37.54%0.03722%0.219CC..THydrogen-bonded Turntrans-73.1-14.8168.9-68.4163.5000112.7L159 L175 L204L159-L181 HydrophobicContact CD2-CD2 4.32Å; L175-L181 HydrophobicContact CD2-CD1 4.24Å; L175-L181 HydrophobicContact CD2-CD2 3.65Å; L175-L181 HydrophobicContact CD2-CG 3.75Å; L181-L204 HydrophobicContact CD2-CD2 3.81Å
182T92.5Very high92.7Very high62 Ų6239.4 Ų39.438%0.3823%0.228SC..THydrogen-bonded Turntrans-108.219.817970.40000112.7S180 V213 A218S180-T182 PolarHBondContact O-N 3.41Å; S180-T182 PolarHBondContact OG-N 2.93Å; S180-T182 PolarHBondContact OG-OG1 3.34Å; T182-V213 HydrophobicContact CG2-CG1 3.16Å; T182-A218 HydrophobicContact CG2-CB 4.12Å
183A92.6Very high92.6Very high17 Ų1739.4 Ų39.414%0.1423%0.231CC..  trans-70.7130.416300000107.2T157 H160 S180 V190T157-A183 HydrophobicContact CG2-CB 3.69Å; H160-A183 PolarHBondContact CE1-O 2.97Å; H160-A183 PolarHBondContact NE2-O 3.48Å; S180-A183 PolarHBondContact OG-N 3.34Å; A183-V190 WeakPolarHBondContact O-CG1 3.41Å
184V92.4Very high92.5Very high39 Ų3939 Ų3924%0.23623%0.23CC..  trans-114.7133.3177.1-174.70000106.7D189 V190 A218V184-D189 WeakPolarHBondContact CA-O 3.11Å; V184-V190 HydrophobicContact CG2-CG1 3.87Å; V184-A218 HydrophobicContact CG2-CB 4.1Å
185N92.3Very high92.4Very high4 Ų440.1 Ų40.12%0.02124%0.239CC..  trans-82-173.6178.480.8-15000112.1W156 D187 G188 D189W156-N185 HydrophobicContact CG-CB 4.39Å; W156-N185 PolarHBondContact NE1-ND2 3.16Å; N185-D187 VanDerWaalsContact C-N 3.3Å; N185-D187 PolarHBondContact ND2-OD2 2.82Å; N185-D187 PolarHBondContact O-N 3.29Å; N185-D187 WeakPolarHBondContact OD1-CA 3.3Å; N185-D187 WeakPolarHBondContact OD1-CB 3.46Å; N185-D187 PolarHBondContact OD1-N 3.02Å; N185-G188 PolarHBondContact O-N 3.34Å; N185-G188 PolarHBondContact OD1-N 2.98Å; N185-D189 PolarHBondContact N-O 3.18Å; N185-D189 PolarHBondContact OD1-N 3.36Å; N185-D189 PolarHBondContact OD1-O 3.37Å
186C87.4Confident92.3Very high67 Ų6745.1 Ų45.145%0.45327%0.266SS..SBendtrans-63.5-31176.3-83.80000113.9E154 K258E154-C186 VanDerWaalsContact C-SG 3.51Å; E154-C186 VanDerWaalsContact O-CB 3.27Å; E154-C186 WeakPolarHBondContact O-CB 3.32Å; E154-C186 PolarHBondContact O-N 2.82Å; E154-C186 PolarHBondContact O-SG 3.39Å; E154-C186 VanDerWaalsContact O-SG 3.39Å; C186-K258 WeakPolarHBondContact O-CE 3.36Å; C186-K258 PolarHBondContact O-NZ 3.35Å; C186-K258 VanDerWaalsContact O-NZ 3.1Å
187D85.7Confident92.2Very high94 Ų9442.9 Ų42.950%0.50326%0.258SS..SBendtrans-76.9-23.1-179-50.5-64.1000113.2N185N185-D187 VanDerWaalsContact C-N 3.3Å; N185-D187 PolarHBondContact ND2-OD2 2.82Å; N185-D187 PolarHBondContact O-N 3.29Å; N185-D187 WeakPolarHBondContact OD1-CA 3.3Å; N185-D187 WeakPolarHBondContact OD1-CB 3.46Å; N185-D187 PolarHBondContact OD1-N 3.02Å
188G88.1Confident92.1Very high20 Ų2046.6 Ų46.621%0.20628%0.276CS..SBendtrans106.52.8-176.100000114.4N185 K219N185-G188 PolarHBondContact O-N 3.34Å; N185-G188 PolarHBondContact OD1-N 2.98Å; G188-K219 WeakPolarHBondContact O-CG 3.48Å
189D91.6Very high92.3Very high63 Ų6348.4 Ų48.434%0.33728%0.278SS..  trans-84.1152.5177.9-72.4-36.4000111.9H160 V184 N185 D193 I194H160-D189 PolarHBondContact NE2-O 3.2Å; V184-D189 WeakPolarHBondContact CA-O 3.11Å; N185-D189 PolarHBondContact N-O 3.18Å; N185-D189 PolarHBondContact OD1-N 3.36Å; N185-D189 PolarHBondContact OD1-O 3.37Å; D189-D193 HydrophobicContact CB-CB 4.08Å; D189-I194 HydrophobicContact CB-CD1 3.86Å; D189-I194 HydrophobicContact CB-CG1 3.72Å
190V93.8Very high92.2Very high1 Ų148.1 Ų48.11%0.00628%0.276CS..  trans-107.6170.8165.2-53.60000110.2A183 V184 L192 D193 V215 K219A183-V190 WeakPolarHBondContact O-CG1 3.41Å; V184-V190 HydrophobicContact CG2-CG1 3.87Å; V190-L192 HydrophobicContact CG2-CB 4.01Å; V190-L192 PolarHBondContact O-N 3.5Å; V190-D193 WeakPolarHBondContact CG2-OD2 3.47Å; V190-D193 PolarHBondContact N-OD2 2.83Å; V190-D193 PolarHBondContact O-N 3.39Å; V190-V215 HydrophobicContact CB-CG1 4.34Å; V190-V215 HydrophobicContact CG1-CG1 4.02Å; V190-V215 HydrophobicContact CG2-CG1 3.38Å; V190-V215 HydrophobicContact CG2-CG2 4.41Å; V190-K219 HydrophobicContact CG1-CG 4.27Å
191P94.3Very high92.3Very high1 Ų151.3 Ų51.31%0.00629%0.287CS..THydrogen-bonded Turntrans-58.4-21.3-177.6-25.935.3000115.2L159 H160 A163 L204L159-P191 HydrophobicContact CB-CB 4.48Å; L159-P191 HydrophobicContact CB-CG 4.18Å; L159-P191 HydrophobicContact CD2-CB 4.17Å; L159-P191 HydrophobicContact CD2-CG 3.98Å; L159-P191 HydrophobicContact CG-CB 3.85Å; L159-P191 HydrophobicContact CG-CG 3.92Å; H160-P191 WeakPolarHBondContact NE2-CD 3.3Å; A163-P191 HydrophobicContact CB-CB 4.33Å; A163-P191 WeakPolarHBondContact CB-O 3.21Å; P191-L204 HydrophobicContact CB-CD2 4.48Å; P191-L204 WeakPolarHBondContact O-CD1 3.45Å
192L93.9Very high92.5Very high39 Ų3954 Ų5420%0.20431%0.306CS..THydrogen-bonded Turntrans-71.6-36.6175.2179.861.6000112.7V190 A195 E201 L204 H205V190-L192 HydrophobicContact CG2-CB 4.01Å; V190-L192 PolarHBondContact O-N 3.5Å; L192-A195 WeakPolarHBondContact O-CB 3.43Å; L192-E201 HydrophobicContact CD1-CG 4.08Å; L192-L204 HydrophobicContact CB-CB 4.42Å; L192-L204 HydrophobicContact CD1-CB 3.74Å; L192-H205 HydrophobicContact CD1-CB 4.26Å
193D92.9Very high92.7Very high71 Ų7152.7 Ų52.738%0.3830%0.296SS..THydrogen-bonded Turntrans-73.2-33.6-177.6-52.8-68.4000111.5D189 V190 A195 K219D189-D193 HydrophobicContact CB-CB 4.08Å; V190-D193 WeakPolarHBondContact CG2-OD2 3.47Å; V190-D193 PolarHBondContact N-OD2 2.83Å; V190-D193 PolarHBondContact O-N 3.39Å; D193-A195 VanDerWaalsContact C-N 3.32Å; D193-A195 PolarHBondContact O-N 3.47Å; D193-K219 IonicContact OD1-NZ 2.69Å; D193-K219 PolarHBondContact OD1-NZ 3.31Å; D193-K219 WeakPolarHBondContact OD2-CE 3.46Å; D193-K219 IonicContact OD2-NZ 2.97Å; D193-K219 PolarHBondContact OD2-NZ 3Å
194I93.7Very high92.7Very high33 Ų3351.9 Ų51.917%0.16929%0.29CS..THydrogen-bonded Turntrans-91.315.4179.9-27.8-177.5000112.6W156 A163 S164 D189 L196W156-I194 HydrophobicContact CH2-CD1 3.82Å; W156-I194 HydrophobicContact CH2-CG2 3.9Å; W156-I194 HydrophobicContact CZ2-CD1 3.88Å; W156-I194 HydrophobicContact CZ3-CD1 4.18Å; W156-I194 HydrophobicContact CZ3-CG2 4.43Å; A163-I194 CarbonylContact C-O 3.48Å; S164-I194 VanDerWaalsContact CA-O 3.25Å; S164-I194 WeakPolarHBondContact CA-O 3.29Å; S164-I194 PolarHBondContact N-O 2.87Å; D189-I194 HydrophobicContact CB-CD1 3.86Å; D189-I194 HydrophobicContact CB-CG1 3.72Å; I194-L196 PolarHBondContact O-N 2.99Å
195A94.6Very high92.8Very high23 Ų2354.7 Ų54.719%0.1930%0.3CS..  trans-70.3118.5-178.500000111.8L192 D193 E201 L204L192-A195 WeakPolarHBondContact O-CB 3.43Å; D193-A195 VanDerWaalsContact C-N 3.32Å; D193-A195 PolarHBondContact O-N 3.47Å; A195-E201 HydrophobicContact CB-CB 3.95Å; A195-L204 HydrophobicContact CB-CD1 4.19Å
196L92.4Very high92.9Very high114 Ų11457.6 Ų57.660%0.59732%0.315SS*.  trans-73.5-39.4-174.9-178.765.6000113.7A163 S164 I194A163-L196 PolarHBondContact O-N 3.02Å; S164-L196 WeakPolarHBondContact O-CB 3.49Å; S164-L196 WeakPolarHBondContact O-CD2 3.28Å; I194-L196 PolarHBondContact O-N 2.99Å
197D92.1Very high93.1Very high77 Ų7756 Ų5641%0.41230%0.3SS..SBendtrans-113.2144.3-176.6-76.3-42.3000111.6T199 T200 E201D197-T199 WeakPolarHBondContact CB-OG1 3.48Å; D197-T199 PolarHBondContact O-N 3.43Å; D197-T200 PolarHBondContact N-OG1 2.94Å; D197-T200 VanDerWaalsContact N-OG1 3.16Å; D197-T200 PolarHBondContact O-N 3.25Å; D197-T200 PolarHBondContact O-OG1 3.15Å; D197-E201 PolarHBondContact O-N 3.48Å
198E93.9Very high93.5Very high158 Ų15852.3 Ų52.374%0.73828%0.281SS*.Hα-helixtrans-52.6-27.5172.6-175.6-177.3-173.600112.1S202E198-S202 WeakPolarHBondContact O-CB 3.37Å; E198-S202 PolarHBondContact O-N 2.91Å; E198-S202 PolarHBondContact O-OG 3.03Å
199T94.6Very high93.6Very high84 Ų8458.1 Ų58.152%0.51530%0.303SS..Hα-helixtrans-72.3-42.4175.255.20000112.8D197 L203D197-T199 WeakPolarHBondContact CB-OG1 3.48Å; D197-T199 PolarHBondContact O-N 3.43Å; T199-L203 WeakPolarHBondContact O-CB 3.3Å; T199-L203 PolarHBondContact O-N 3.28Å; T199-L203 VanDerWaalsContact O-N 3.13Å
200T93.8Very high93.6Very high0 Ų063.1 Ų63.10%032%0.317CS..Hα-helixtrans-68.2-44.1172.637.30000111.5P168 D197 L203 L204P168-T200 HydrophobicContact CB-CG2 3.94Å; P168-T200 HydrophobicContact CG-CG2 4.45Å; D197-T200 PolarHBondContact N-OG1 2.94Å; D197-T200 VanDerWaalsContact N-OG1 3.16Å; D197-T200 PolarHBondContact O-N 3.25Å; D197-T200 PolarHBondContact O-OG1 3.15Å; T200-L203 PolarHBondContact O-N 3.23Å; T200-L204 WeakPolarHBondContact O-CB 3.39Å; T200-L204 WeakPolarHBondContact O-CD1 3.11Å; T200-L204 VanDerWaalsContact O-CG 3.29Å; T200-L204 WeakPolarHBondContact O-CG 3.49Å; T200-L204 PolarHBondContact O-N 2.83Å
201E94.8Very high93.5Very high104 Ų10468 Ų6849%0.48634%0.34SS..Hα-helixtrans-58.6-52.2176.4-173-163.316600110.7L192 A195 D197 L203 L204 H205L192-E201 HydrophobicContact CD1-CG 4.08Å; A195-E201 HydrophobicContact CB-CB 3.95Å; D197-E201 PolarHBondContact O-N 3.48Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 2.71Å; E201-L204 PolarHBondContact O-N 3.02Å; E201-H205 VanDerWaalsContact O-CB 3.31Å; E201-H205 WeakPolarHBondContact O-CB 3.46Å; E201-H205 PolarHBondContact O-N 2.73Å
202S95.4Very high93.1Very high64 Ų6471.2 Ų71.245%0.44837%0.373SS..Hα-helixtrans-56.4-42.8177.2-66.90000112E198 D206E198-S202 WeakPolarHBondContact O-CB 3.37Å; E198-S202 PolarHBondContact O-N 2.91Å; E198-S202 PolarHBondContact O-OG 3.03Å; S202-D206 WeakPolarHBondContact O-CB 3.46Å; S202-D206 PolarHBondContact O-N 3.23Å
203L95.5Very high92.8Very high33 Ų3371.3 Ų71.317%0.17338%0.375CS..Hα-helixtrans-66-46.4179.3-173.6147.2000111.7P168 E172 L175 T199 T200 E201 D206 Y207P168-L203 HydrophobicContact CB-CD1 4.49Å; E172-L203 HydrophobicContact CB-CD1 3.96Å; E172-L203 HydrophobicContact CB-CD2 4.46Å; E172-L203 HydrophobicContact CG-CD1 4.18Å; L175-L203 HydrophobicContact CD1-CD2 3.63Å; T199-L203 WeakPolarHBondContact O-CB 3.3Å; T199-L203 PolarHBondContact O-N 3.28Å; T199-L203 VanDerWaalsContact O-N 3.13Å; T200-L203 PolarHBondContact O-N 3.23Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 2.71Å; L203-D206 PolarHBondContact O-N 2.86Å; L203-Y207 HydrophobicContact CD2-CD2 3.82Å; L203-Y207 HydrophobicContact CD2-CE2 4.04Å; L203-Y207 HydrophobicContact CG-CD2 4.1Å; L203-Y207 HydrophobicContact CG-CE2 4.2Å; L203-Y207 WeakPolarHBondContact O-CD2 3.46Å; L203-Y207 PolarHBondContact O-N 2.92Å
204L94.1Very high92.6Very high0 Ų072.5 Ų72.50%038%0.382CS..Hα-helixtrans-65.2-40.5179-70.9163.6000111.5L159 A163 L175 L181 P191 L192 A195 T200 E201 Y207 T208L159-L204 HydrophobicContact CD1-CD2 4.23Å; L159-L204 HydrophobicContact CD2-CD2 4.3Å; L159-L204 HydrophobicContact CG-CD2 4.4Å; A163-L204 HydrophobicContact CB-CD1 3.81Å; L175-L204 HydrophobicContact CD1-CD2 4.11Å; L181-L204 HydrophobicContact CD2-CD2 3.81Å; P191-L204 HydrophobicContact CB-CD2 4.48Å; P191-L204 WeakPolarHBondContact O-CD1 3.45Å; L192-L204 HydrophobicContact CB-CB 4.42Å; L192-L204 HydrophobicContact CD1-CB 3.74Å; A195-L204 HydrophobicContact CB-CD1 4.19Å; T200-L204 WeakPolarHBondContact O-CB 3.39Å; T200-L204 WeakPolarHBondContact O-CD1 3.11Å; T200-L204 VanDerWaalsContact O-CG 3.29Å; T200-L204 WeakPolarHBondContact O-CG 3.49Å; T200-L204 PolarHBondContact O-N 2.83Å; E201-L204 PolarHBondContact O-N 3.02Å; L204-Y207 PolarHBondContact O-N 3.2Å; L204-T208 VanDerWaalsContact O-CB 3.31Å; L204-T208 WeakPolarHBondContact O-CB 3.37Å; L204-T208 PolarHBondContact O-N 2.86Å; L204-T208 PolarHBondContact O-OG1 3.19Å
205H93.8Very high92.2Very high99 Ų9971.5 Ų71.546%0.45838%0.377SS..Hα-helixtrans-62.8-45.3173.5179.6-81.2000111.6L192 E201 T208 Q209L192-H205 HydrophobicContact CD1-CB 4.26Å; E201-H205 VanDerWaalsContact O-CB 3.31Å; E201-H205 WeakPolarHBondContact O-CB 3.46Å; E201-H205 PolarHBondContact O-N 2.73Å; H205-T208 PolarHBondContact O-N 3.46Å; H205-Q209 WeakPolarHBondContact O-CB 3.2Å; H205-Q209 PolarHBondContact O-N 2.79Å
206D93.6Very high91.9Very high64 Ų6475.3 Ų75.334%0.34239%0.391SS..Hα-helixtrans-61.8-44.9176.9-124.360.7000111.7S202 L203 Q209 R210S202-D206 WeakPolarHBondContact O-CB 3.46Å; S202-D206 PolarHBondContact O-N 3.23Å; L203-D206 PolarHBondContact O-N 2.86Å; D206-Q209 PolarHBondContact O-N 2.77Å; D206-R210 VanDerWaalsContact O-CB 3.32Å; D206-R210 WeakPolarHBondContact O-CB 3.21Å; D206-R210 VanDerWaalsContact O-CD 3.26Å; D206-R210 WeakPolarHBondContact O-CD 3.46Å; D206-R210 WeakPolarHBondContact O-CG 3.26Å; D206-R210 PolarHBondContact O-N 3.32Å; D206-R210 IonicContact OD2-CZ 2.77Å; D206-R210 IonicContact OD2-NE 3.91Å; D206-R210 PolarHBondContact OD2-NE 3.49Å; D206-R210 IonicContact OD2-NH2 2.64Å; D206-R210 PolarHBondContact OD2-NH2 3.39Å
207Y93.3Very high91.7Very high34 Ų3471.4 Ų71.413%0.13338%0.375CS..Hα-helixtrans-65.2-39.5176.1-91.1-95.9000112.2E172 L175 L203 L204 R210 Q211E172-Y207 HydrophobicContact CG-CE2 3.93Å; E172-Y207 WeakPolarHBondContact CG-OH 3.5Å; E172-Y207 PolarHBondContact OE1-OH 2.95Å; L175-Y207 HydrophobicContact CB-CD1 4.1Å; L175-Y207 HydrophobicContact CB-CE1 4Å; L175-Y207 HydrophobicContact CD1-CD1 4.12Å; L175-Y207 HydrophobicContact CD1-CD2 3.99Å; L175-Y207 HydrophobicContact CD1-CE2 4.41Å; L175-Y207 HydrophobicContact CD1-CG 3.83Å; L203-Y207 HydrophobicContact CD2-CD2 3.82Å; L203-Y207 HydrophobicContact CD2-CE2 4.04Å; L203-Y207 HydrophobicContact CG-CD2 4.1Å; L203-Y207 HydrophobicContact CG-CE2 4.2Å; L203-Y207 WeakPolarHBondContact O-CD2 3.46Å; L203-Y207 PolarHBondContact O-N 2.92Å; L204-Y207 PolarHBondContact O-N 3.2Å; Y207-R210 PolarHBondContact O-N 2.9Å; Y207-Q211 WeakPolarHBondContact O-CB 3.34Å; Y207-Q211 WeakPolarHBondContact O-CG 3.49Å; Y207-Q211 PolarHBondContact O-N 3.15Å
208T92.4Very high91.5Very high17 Ų1768.4 Ų68.410%0.10436%0.361CS..Hα-helixtrans-61.5-47.5175.3-590000111.4L204 H205 Q211 G212 V213 V215L204-T208 VanDerWaalsContact O-CB 3.31Å; L204-T208 WeakPolarHBondContact O-CB 3.37Å; L204-T208 PolarHBondContact O-N 2.86Å; L204-T208 PolarHBondContact O-OG1 3.19Å; H205-T208 PolarHBondContact O-N 3.46Å; T208-Q211 PolarHBondContact O-N 2.76Å; T208-G212 PolarHBondContact O-N 2.84Å; T208-V213 HydrophobicContact CG2-CB 4.39Å; T208-V213 WeakPolarHBondContact CG2-O 3.27Å; T208-V213 PolarHBondContact O-N 3.22Å; T208-V215 HydrophobicContact CG2-CG2 3.79Å
209Q91.5Very high91.2Very high142 Ų14263 Ų6366%0.66434%0.335SS*.Hα-helixtrans-65.9-38.4177-174.7173.991.700112.4H205 D206 G212H205-Q209 WeakPolarHBondContact O-CB 3.2Å; H205-Q209 PolarHBondContact O-N 2.79Å; D206-Q209 PolarHBondContact O-N 2.77Å; Q209-G212 PolarHBondContact O-N 3.29Å
210R92.3Very high91Very high167 Ų16764.2 Ų64.263%0.6333%0.33SS*.Hα-helixtrans-67.6-36.5177-71.4163.1-169.3-1654.9113D206 Y207D206-R210 VanDerWaalsContact O-CB 3.32Å; D206-R210 WeakPolarHBondContact O-CB 3.21Å; D206-R210 VanDerWaalsContact O-CD 3.26Å; D206-R210 WeakPolarHBondContact O-CD 3.46Å; D206-R210 WeakPolarHBondContact O-CG 3.26Å; D206-R210 PolarHBondContact O-N 3.32Å; D206-R210 IonicContact OD2-CZ 2.77Å; D206-R210 IonicContact OD2-NE 3.91Å; D206-R210 PolarHBondContact OD2-NE 3.49Å; D206-R210 IonicContact OD2-NH2 2.64Å; D206-R210 PolarHBondContact OD2-NH2 3.39Å; Y207-R210 PolarHBondContact O-N 2.9Å
211Q90.3Very high90.8Very high104 Ų10471.2 Ų71.249%0.48636%0.361SS..Hα-helixtrans-81.6-16.9176.4-66-173.416.300112.8Y207 T208 V213Y207-Q211 WeakPolarHBondContact O-CB 3.34Å; Y207-Q211 WeakPolarHBondContact O-CG 3.49Å; Y207-Q211 PolarHBondContact O-N 3.15Å; T208-Q211 PolarHBondContact O-N 2.76Å; Q211-V213 HydrophobicContact CB-CG2 3.62Å
212G86Confident90.5Very high69 Ų6969.5 Ų69.571%0.71135%0.353SS*.THydrogen-bonded Turntrans71.233.7-179.800000113T208 Q209T208-G212 PolarHBondContact O-N 2.84Å; Q209-G212 PolarHBondContact O-N 3.29Å
213V88Confident90.2Very high41 Ų4169.3 Ų69.325%0.24835%0.345CS..  trans-92.1130.5-169.2165.60000111.2T182 T208 Q211 V215T182-V213 HydrophobicContact CG2-CG1 3.16Å; T208-V213 HydrophobicContact CG2-CB 4.39Å; T208-V213 WeakPolarHBondContact CG2-O 3.27Å; T208-V213 PolarHBondContact O-N 3.22Å; Q211-V213 HydrophobicContact CB-CG2 3.62Å; V213-V215 PolarHBondContact O-N 2.81Å
214D87.8Confident90Very high96 Ų9672.5 Ų72.551%0.51336%0.359SS..  trans-89.298.8174.4-171.8-12.9000110.5E216 A217 A218D214-E216 PolarHBondContact OD1-N 3.37Å; D214-A217 HydrophobicContact CB-CB 3.91Å; D214-A217 PolarHBondContact OD1-N 3.39Å; D214-A217 WeakPolarHBondContact OD2-CB 3.4Å; D214-A218 PolarHBondContact O-N 2.89Å
215V86.7Confident89.8Confident12 Ų1277.4 Ų77.47%0.07338%0.382CS..Hα-helixtrans-66.1-39176.3166.60000111.7V190 T208 V213 A217 A218 K219V190-V215 HydrophobicContact CB-CG1 4.34Å; V190-V215 HydrophobicContact CG1-CG1 4.02Å; V190-V215 HydrophobicContact CG2-CG1 3.38Å; V190-V215 HydrophobicContact CG2-CG2 4.41Å; T208-V215 HydrophobicContact CG2-CG2 3.79Å; V213-V215 PolarHBondContact O-N 2.81Å; V215-A217 VanDerWaalsContact C-N 3.32Å; V215-A217 PolarHBondContact O-N 3.33Å; V215-A218 WeakPolarHBondContact O-CA 3.28Å; V215-A218 VanDerWaalsContact O-CB 3.26Å; V215-A218 WeakPolarHBondContact O-CB 3.41Å; V215-A218 PolarHBondContact O-N 3.49Å; V215-K219 PolarHBondContact O-N 3.48Å; V215-K219 VanDerWaalsContact O-N 3.08Å
216E87.1Confident89.6Confident102 Ų10273.7 Ų73.748%0.47737%0.365SS..Hα-helixtrans-75.7-23.6-176.2-64-59.3122.500112D214 K219 R220D214-E216 PolarHBondContact OD1-N 3.37Å; E216-K219 WeakPolarHBondContact OE1-CE 3.27Å; E216-K219 IonicContact OE1-NZ 3.15Å; E216-K219 PolarHBondContact OE1-NZ 2.81Å; E216-R220 PolarHBondContact O-N 3.35Å; E216-R220 PolarHBondContact O-NE 3.3Å; E216-R220 PolarHBondContact O-NH2 3.01Å
217A88.2Confident89.4Confident32 Ų3272 Ų7226%0.26436%0.355SS..Hα-helixtrans-72.7-28.416400000113D214 V215 R220 K221D214-A217 HydrophobicContact CB-CB 3.91Å; D214-A217 PolarHBondContact OD1-N 3.39Å; D214-A217 WeakPolarHBondContact OD2-CB 3.4Å; V215-A217 VanDerWaalsContact C-N 3.32Å; V215-A217 PolarHBondContact O-N 3.33Å; A217-R220 VanDerWaalsContact CA-NH2 3.28Å; A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 3.08Å
218A88.1Confident89.3Confident15 Ų1573 Ų7312%0.12437%0.368CS..Hα-helixtrans-69.1-46.4174.600000111.4T182 V184 D214 V215 R220 K221T182-A218 HydrophobicContact CG2-CB 4.12Å; V184-A218 HydrophobicContact CG2-CB 4.1Å; D214-A218 PolarHBondContact O-N 2.89Å; V215-A218 WeakPolarHBondContact O-CA 3.28Å; V215-A218 VanDerWaalsContact O-CB 3.26Å; V215-A218 WeakPolarHBondContact O-CB 3.41Å; V215-A218 PolarHBondContact O-N 3.49Å; A218-R220 PolarHBondContact O-N 3.49Å; A218-K221 WeakPolarHBondContact O-CB 3.35Å; A218-K221 PolarHBondContact O-N 2.81Å
219K88.5Confident89.2Confident44 Ų4474.5 Ų74.519%0.19138%0.375CS..Hα-helixtrans-58-48.3177.3-64.1-179.6-179.9164.30112.5G188 V190 D193 V215 E216 K221G188-K219 WeakPolarHBondContact O-CG 3.48Å; V190-K219 HydrophobicContact CG1-CG 4.27Å; D193-K219 IonicContact OD1-NZ 2.69Å; D193-K219 PolarHBondContact OD1-NZ 3.31Å; D193-K219 WeakPolarHBondContact OD2-CE 3.46Å; D193-K219 IonicContact OD2-NZ 2.97Å; D193-K219 PolarHBondContact OD2-NZ 3Å; V215-K219 PolarHBondContact O-N 3.48Å; V215-K219 VanDerWaalsContact O-N 3.08Å; E216-K219 WeakPolarHBondContact OE1-CE 3.27Å; E216-K219 IonicContact OE1-NZ 3.15Å; E216-K219 PolarHBondContact OE1-NZ 2.81Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 2.9Å
220R89.5Confident89Confident109 Ų10967.7 Ų67.741%0.41134%0.343SS..Hα-helixtrans-67.9-19.4177.7-76.4178.3-71116-3.8114.6E216 A217 A218 E222 E223 E224E216-R220 PolarHBondContact O-N 3.35Å; E216-R220 PolarHBondContact O-NE 3.3Å; E216-R220 PolarHBondContact O-NH2 3.01Å; A217-R220 VanDerWaalsContact CA-NH2 3.28Å; A218-R220 PolarHBondContact O-N 3.49Å; R220-E222 PolarHBondContact O-N 2.69Å; R220-E223 PolarHBondContact O-N 2.93Å; R220-E223 VanDerWaalsContact O-N 3.15Å; R220-E224 HydrophobicContact CB-CG 4.33Å; R220-E224 IonicContact CZ-OE1 3.48Å; R220-E224 IonicContact NH1-OE1 2.65Å; R220-E224 PolarHBondContact NH1-OE1 2.92Å; R220-E224 WeakPolarHBondContact O-CB 3.45Å; R220-E224 WeakPolarHBondContact O-CG 3.25Å; R220-E224 PolarHBondContact O-N 3.45Å
221K89.6Confident88.7Confident147 Ų14764.3 Ų64.364%0.63934%0.336SS*.Hα-helixtrans-58.7-33.8-170.7-169.2-177.5174.3-1680113.6A217 A218 K219 Q225A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 3.08Å; A218-K221 WeakPolarHBondContact O-CB 3.35Å; A218-K221 PolarHBondContact O-N 2.81Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 2.9Å; K221-Q225 VanDerWaalsContact O-CB 3.23Å; K221-Q225 WeakPolarHBondContact O-CB 3.46Å; K221-Q225 PolarHBondContact O-N 3.16Å
222E88.8Confident88.5Confident69 Ų6964.5 Ų64.532%0.32234%0.338SS..Hα-helixtrans-69.5-47.5177.6-173.8-179.7159.100111.6R220 Q225 M226 K258 Y260R220-E222 PolarHBondContact O-N 2.69Å; E222-Q225 PolarHBondContact O-N 2.93Å; E222-M226 WeakPolarHBondContact O-CB 3.41Å; E222-M226 PolarHBondContact O-N 2.9Å; E222-K258 VanDerWaalsContact OE1-CE 3.31Å; E222-K258 WeakPolarHBondContact OE1-CE 3.49Å; E222-K258 IonicContact OE1-NZ 2.75Å; E222-K258 PolarHBondContact OE1-NZ 2.93Å; E222-K258 IonicContact OE2-NZ 3.84Å; E222-K258 PolarHBondContact OE2-NZ 3.02Å; E222-Y260 HydrophobicContact CG-CE2 4.17Å
223E89Confident88.6Confident59 Ų5963.3 Ų63.328%0.27631%0.312SS..Hα-helixtrans-64.1-43175.2-174.3171.9-14400111.6R220 Q225 M226 M227 Y260R220-E223 PolarHBondContact O-N 2.93Å; R220-E223 VanDerWaalsContact O-N 3.15Å; E223-Q225 PolarHBondContact O-N 2.93Å; E223-M226 PolarHBondContact O-N 3.31Å; E223-M227 HydrophobicContact CG-CG 4.45Å; E223-M227 VanDerWaalsContact O-CB 3.28Å; E223-M227 WeakPolarHBondContact O-CB 3.4Å; E223-M227 WeakPolarHBondContact O-CG 3.49Å; E223-M227 PolarHBondContact O-N 3.33Å; E223-Y260 HydrophobicContact CB-CD1 3.85Å; E223-Y260 HydrophobicContact CB-CD2 4.25Å; E223-Y260 HydrophobicContact CB-CE1 3.81Å; E223-Y260 HydrophobicContact CB-CE2 4.21Å; E223-Y260 HydrophobicContact CB-CG 4.08Å; E223-Y260 HydrophobicContact CG-CD1 3.82Å; E223-Y260 HydrophobicContact CG-CD2 4.39Å; E223-Y260 HydrophobicContact CG-CE1 4.31Å; E223-Y260 HydrophobicContact CG-CG 3.87Å; E223-Y260 WeakPolarHBondContact OE1-CA 3.43Å; E223-Y260 WeakPolarHBondContact OE1-CB 3.33Å
224E91.7Very high88.3Confident100 Ų10065.3 Ų65.347%0.46732%0.321SS..Hα-helixtrans-63.1-40.1177.2-74.1177.2-167.400112.2R220 S228R220-E224 HydrophobicContact CB-CG 4.33Å; R220-E224 IonicContact CZ-OE1 3.48Å; R220-E224 IonicContact NH1-OE1 2.65Å; R220-E224 PolarHBondContact NH1-OE1 2.92Å; R220-E224 WeakPolarHBondContact O-CB 3.45Å; R220-E224 WeakPolarHBondContact O-CG 3.25Å; R220-E224 PolarHBondContact O-N 3.45Å; E224-S228 WeakPolarHBondContact O-CB 3.26Å; E224-S228 PolarHBondContact O-N 3.49Å
225Q90.5Very high88Confident103 Ų10367.3 Ų67.348%0.48133%0.332SS..Hα-helixtrans-66-47.6173.8-177.960.754.400110.8K221 E222 E223 M227 S228 D229K221-Q225 VanDerWaalsContact O-CB 3.23Å; K221-Q225 WeakPolarHBondContact O-CB 3.46Å; K221-Q225 PolarHBondContact O-N 3.16Å; E222-Q225 PolarHBondContact O-N 2.93Å; E223-Q225 PolarHBondContact O-N 2.93Å; Q225-M227 VanDerWaalsContact C-N 3.31Å; Q225-M227 PolarHBondContact O-N 3.46Å; Q225-S228 WeakPolarHBondContact O-CB 3.45Å; Q225-S228 PolarHBondContact O-N 3.22Å; Q225-S228 VanDerWaalsContact O-N 3.14Å; Q225-D229 PolarHBondContact NE2-OD1 3.25Å; Q225-D229 PolarHBondContact NE2-OD2 2.58Å; Q225-D229 VanDerWaalsContact O-CG 3.32Å; Q225-D229 PolarHBondContact O-N 2.97Å
226M89.8Confident87.5Confident21 Ų2172.5 Ų72.510%0.10336%0.359CS..Hα-helixtrans-62.8-36.9178.4-168.1-175.4-60.200112.4E222 E223 A230 V254 A255 Y260 A263 L267E222-M226 WeakPolarHBondContact O-CB 3.41Å; E222-M226 PolarHBondContact O-N 2.9Å; E223-M226 PolarHBondContact O-N 3.31Å; M226-A230 VanDerWaalsContact O-CB 3.25Å; M226-A230 WeakPolarHBondContact O-CB 3.47Å; M226-A230 PolarHBondContact O-N 2.76Å; M226-V254 HydrophobicContact CE-CB 3.85Å; M226-V254 HydrophobicContact CE-CG1 3.73Å; M226-A255 HydrophobicContact SD-CB 3.76Å; M226-Y260 HydrophobicContact CE-CD2 3.89Å; M226-Y260 HydrophobicContact CE-CE2 4.1Å; M226-Y260 HydrophobicContact SD-CD2 4.1Å; M226-A263 HydrophobicContact CG-CB 4.2Å; M226-A263 HydrophobicContact SD-CB 3.95Å; M226-L267 HydrophobicContact CG-CD1 4.43Å; M226-L267 HydrophobicContact SD-CD1 4.17Å
227M89.4Confident86.9Confident28 Ų2873.1 Ų73.114%0.13837%0.374CS..Hα-helixtrans-66-43.2172.1-82.5-73.7-88.600111.8E223 Q225 A230 M231 E262 A263 M266E223-M227 HydrophobicContact CG-CG 4.45Å; E223-M227 VanDerWaalsContact O-CB 3.28Å; E223-M227 WeakPolarHBondContact O-CB 3.4Å; E223-M227 WeakPolarHBondContact O-CG 3.49Å; E223-M227 PolarHBondContact O-N 3.33Å; Q225-M227 VanDerWaalsContact C-N 3.31Å; Q225-M227 PolarHBondContact O-N 3.46Å; M227-A230 PolarHBondContact O-N 3.34Å; M227-M231 HydrophobicContact CE-CE 3.85Å; M227-M231 WeakPolarHBondContact O-CB 3.37Å; M227-M231 VanDerWaalsContact O-CG 3.26Å; M227-M231 WeakPolarHBondContact O-CG 3.49Å; M227-M231 PolarHBondContact O-N 3.11Å; M227-E262 HydrophobicContact CE-CB 3.57Å; M227-E262 HydrophobicContact SD-CB 3.89Å; M227-A263 HydrophobicContact CG-CB 4.08Å; M227-A263 VanDerWaalsContact SD-CA 3.54Å; M227-A263 HydrophobicContact SD-CB 4.06Å; M227-A263 PolarHBondContact SD-N 3.25Å; M227-A263 VanDerWaalsContact SD-N 3.36Å; M227-M266 HydrophobicContact SD-CG 4.14Å
228S89.8Confident86.4Confident57 Ų5773.4 Ų73.440%0.39937%0.374SS..Hα-helixtrans-60.4-45.8174.5-176.90000111.4E224 Q225 M231 M232E224-S228 WeakPolarHBondContact O-CB 3.26Å; E224-S228 PolarHBondContact O-N 3.49Å; Q225-S228 WeakPolarHBondContact O-CB 3.45Å; Q225-S228 PolarHBondContact O-N 3.22Å; Q225-S228 VanDerWaalsContact O-N 3.14Å; S228-M231 PolarHBondContact O-N 2.78Å; S228-M232 WeakPolarHBondContact O-CG 3.41Å; S228-M232 PolarHBondContact O-N 3.46Å
229D89.9Confident85.8Confident47 Ų4775.8 Ų75.825%0.25139%0.388SS..Hα-helixtrans-68.4-40.1-179.8-66.2-31.1000111.6Q225 M231 M232 W233Q225-D229 PolarHBondContact NE2-OD1 3.25Å; Q225-D229 PolarHBondContact NE2-OD2 2.58Å; Q225-D229 VanDerWaalsContact O-CG 3.32Å; Q225-D229 PolarHBondContact O-N 2.97Å; D229-M231 PolarHBondContact O-N 2.99Å; D229-M232 WeakPolarHBondContact O-CB 3.48Å; D229-M232 PolarHBondContact O-N 3.18Å; D229-M232 VanDerWaalsContact O-N 3.17Å; D229-W233 HydrophobicContact CB-CH2 4.14Å; D229-W233 HydrophobicContact CB-CZ2 3.83Å; D229-W233 PolarHBondContact O-N 3.45Å
230A88Confident84.7Confident0 Ų079.3 Ų79.30%043%0.425CS..Hα-helixtrans-63.4-39.2171.900000112.5M226 M227 M232 W233 L234 M266 L267 C270M226-A230 VanDerWaalsContact O-CB 3.25Å; M226-A230 WeakPolarHBondContact O-CB 3.47Å; M226-A230 PolarHBondContact O-N 2.76Å; M227-A230 PolarHBondContact O-N 3.34Å; A230-M232 VanDerWaalsContact C-N 3.3Å; A230-M232 PolarHBondContact O-N 3.2Å; A230-W233 PolarHBondContact O-N 3.47Å; A230-L234 PolarHBondContact O-N 3.41Å; A230-M266 HydrophobicContact CB-CB 4.01Å; A230-L267 HydrophobicContact CB-CD2 3.71Å; A230-L267 HydrophobicContact CB-CG 4.08Å; A230-C270 PolarHBondContact O-SG 3.31Å; A230-C270 VanDerWaalsContact O-SG 3.33Å
231M86.2Confident83.8Confident96 Ų9679.8 Ų79.847%0.47344%0.436SS..Hα-helixtrans-66.4-31.8173.2-73.6-176-159.800112.2M227 S228 D229 N235M227-M231 HydrophobicContact CE-CE 3.85Å; M227-M231 WeakPolarHBondContact O-CB 3.37Å; M227-M231 VanDerWaalsContact O-CG 3.26Å; M227-M231 WeakPolarHBondContact O-CG 3.49Å; M227-M231 PolarHBondContact O-N 3.11Å; S228-M231 PolarHBondContact O-N 2.78Å; D229-M231 PolarHBondContact O-N 2.99Å; M231-N235 PolarHBondContact O-ND2 2.87Å
232M86.1Confident83.4Confident108 Ų10874.9 Ų74.953%0.53242%0.416SS..Hα-helixtrans-67.5-45.1169.4-71.7-175.363.100111.2S228 D229 A230 L234 N235 D236S228-M232 WeakPolarHBondContact O-CG 3.41Å; S228-M232 PolarHBondContact O-N 3.46Å; D229-M232 WeakPolarHBondContact O-CB 3.48Å; D229-M232 PolarHBondContact O-N 3.18Å; D229-M232 VanDerWaalsContact O-N 3.17Å; A230-M232 VanDerWaalsContact C-N 3.3Å; A230-M232 PolarHBondContact O-N 3.2Å; M232-L234 PolarHBondContact O-N 3.19Å; M232-N235 PolarHBondContact O-N 3.43Å; M232-D236 PolarHBondContact O-N 3.32Å
233W87.1Confident83.3Confident43 Ų4376.4 Ų76.416%0.16342%0.419CS..Hα-helixtrans-68.5-16.5-179.4-57.7-19.8000115D229 A230 D236 P238 L242 P251 L267 C270 L272D229-W233 HydrophobicContact CB-CH2 4.14Å; D229-W233 HydrophobicContact CB-CZ2 3.83Å; D229-W233 PolarHBondContact O-N 3.45Å; A230-W233 PolarHBondContact O-N 3.47Å; W233-D236 CarbonylContact C-O 3.6Å; W233-D236 VanDerWaalsContact C-O 3.31Å; W233-D236 WeakPolarHBondContact CA-O 3.25Å; W233-D236 VanDerWaalsContact O-O 3.05Å; W233-P238 HydrophobicContact CB-CB 4.12Å; W233-P238 HydrophobicContact CD2-CB 4.44Å; W233-P238 HydrophobicContact CG-CB 4.1Å; W233-L242 HydrophobicContact CE3-CD1 4.42Å; W233-L242 HydrophobicContact CH2-CD1 4.47Å; W233-L242 HydrophobicContact CH2-CD2 3.48Å; W233-L242 VanDerWaalsContact CH2-CD2 3.48Å; W233-L242 HydrophobicContact CZ2-CD2 3.45Å; W233-L242 VanDerWaalsContact CZ2-CD2 3.45Å; W233-L242 HydrophobicContact CZ3-CD1 4.26Å; W233-L242 HydrophobicContact CZ3-CD2 4.1Å; W233-P251 HydrophobicContact CH2-CB 4.27Å; W233-P251 HydrophobicContact CH2-CG 3.7Å; W233-P251 HydrophobicContact CZ3-CB 4.07Å; W233-P251 HydrophobicContact CZ3-CG 3.79Å; W233-L267 HydrophobicContact CE3-CD2 3.58Å; W233-L267 HydrophobicContact CZ3-CD2 3.47Å; W233-L267 VanDerWaalsContact CZ3-CD2 3.47Å; W233-C270 HydrophobicContact CB-CB 4.36Å; W233-L272 HydrophobicContact CE3-CD1 4.4Å
234L83.3Confident83.1Confident84 Ų8476 Ų7644%0.4442%0.419SS..Hα-helixtrans-77.3-24.9170.5-166.871.1000112.5A230 M232 M266 Q269 C270A230-L234 PolarHBondContact O-N 3.41Å; M232-L234 PolarHBondContact O-N 3.19Å; L234-M266 HydrophobicContact CD2-CE 3.68Å; L234-Q269 HydrophobicContact CD1-CB 4.23Å; L234-C270 PolarHBondContact N-SG 3.19Å
235N80.8Confident82.8Confident138 Ų13877 Ų7774%0.73843%0.434SS*.Hα-helixtrans-97.5-47.3-179.3-72.2-78000111.9M231 M232M231-N235 PolarHBondContact O-ND2 2.87Å; M232-N235 PolarHBondContact O-N 3.43Å
236D75.4Confident82.4Confident120 Ų12080.5 Ų80.564%0.64244%0.443SS*.SBendtrans-108.8131173.6-72.2-47.5000109M232 W233M232-D236 PolarHBondContact O-N 3.32Å; W233-D236 CarbonylContact C-O 3.6Å; W233-D236 VanDerWaalsContact C-O 3.31Å; W233-D236 WeakPolarHBondContact CA-O 3.25Å; W233-D236 VanDerWaalsContact O-O 3.05Å
237S76.2Confident82.2Confident115 Ų11582.6 Ų82.680%0.80446%0.457SS*.PPolyproline II helixtrans-52.7136.6-176.1-172.50000112.5
238P77.3Confident82.2Confident39 Ų3981.3 Ų81.325%0.25345%0.45SS..PPolyproline II helixtrans-56.5145.5-173.918.4-31.9000113W233 L242 L272W233-P238 HydrophobicContact CB-CB 4.12Å; W233-P238 HydrophobicContact CD2-CB 4.44Å; W233-P238 HydrophobicContact CG-CB 4.1Å; P238-L242 HydrophobicContact CB-CD1 4.13Å; P238-L272 HydrophobicContact CB-CD1 4.47Å; P238-L272 HydrophobicContact CG-CD1 4.49Å
239P75.3Confident82.2Confident65 Ų6579.2 Ų79.242%0.42244%0.437SS..PPolyproline II helixtrans-66.7151.3-177.228.1-34.1000111.8D241 L242P239-D241 PolarHBondContact O-N 3.08Å; P239-L242 HydrophobicContact CG-CD2 3.57Å; P239-L242 HydrophobicContact CG-CG 3.94Å
240A65.7Low82.3Confident117 Ų11777.6 Ų77.697%0.96743%0.429SS*.SBendtrans-70.8-13.2-169.700000115.1
241D69.8Low82.5Confident120 Ų12078.6 Ų78.664%0.64244%0.435SS*.  trans-131.9128167.6-162.7-5.1000108.9P239 R243P239-D241 PolarHBondContact O-N 3.08Å; D241-R243 PolarHBondContact OD1-N 3.42Å; D241-R243 VanDerWaalsContact OD1-N 3.15Å
242L81.4Confident82.7Confident44 Ų4474 Ų7423%0.2341%0.413CS..  trans-133.813-175.2-82.5176.5000111.1W233 P238 P239 P251 L272W233-L242 HydrophobicContact CE3-CD1 4.42Å; W233-L242 HydrophobicContact CH2-CD1 4.47Å; W233-L242 HydrophobicContact CH2-CD2 3.48Å; W233-L242 VanDerWaalsContact CH2-CD2 3.48Å; W233-L242 HydrophobicContact CZ2-CD2 3.45Å; W233-L242 VanDerWaalsContact CZ2-CD2 3.45Å; W233-L242 HydrophobicContact CZ3-CD1 4.26Å; W233-L242 HydrophobicContact CZ3-CD2 4.1Å; P238-L242 HydrophobicContact CB-CD1 4.13Å; P239-L242 HydrophobicContact CG-CD2 3.57Å; P239-L242 HydrophobicContact CG-CG 3.94Å; L242-P251 HydrophobicContact CB-CG 4.46Å; L242-P251 HydrophobicContact CD2-CG 4.32Å; L242-P251 WeakPolarHBondContact O-CD 3.47Å; L242-L272 HydrophobicContact CD1-CD2 4.25Å; L242-L272 HydrophobicContact CD1-CG 4.49Å
243R85.8Confident83.1Confident100 Ų10069.2 Ų69.238%0.37739%0.389SS..  trans-90.8136.6-173.1-67.2176.1166.6-89.44.6111.3D241 G248 A249 T250 T277D241-R243 PolarHBondContact OD1-N 3.42Å; D241-R243 VanDerWaalsContact OD1-N 3.15Å; R243-G248 WeakPolarHBondContact CG-O 3.42Å; R243-G248 PolarHBondContact NH1-O 2.92Å; R243-A249 CarbonylContact C-O 3.56Å; R243-A249 WeakPolarHBondContact CA-O 3.42Å; R243-T250 HydrophobicContact CG-CG2 4.27Å; R243-T277 VanDerWaalsContact CZ-O 3.24Å; R243-T277 PolarHBondContact NH1-O 3.13Å; R243-T277 PolarHBondContact NH2-O 2.88Å
244D85.3Confident83.2Confident52 Ų5269.5 Ų69.528%0.27840%0.395SS..  trans-61.6133169.2175.8-89.6000110.1R246 T247 G248 A249D244-R246 PolarHBondContact O-N 3.35Å; D244-R246 VanDerWaalsContact O-N 3.15Å; D244-R246 WeakPolarHBondContact OD1-CA 3.4Å; D244-R246 VanDerWaalsContact OD1-CB 3.28Å; D244-R246 WeakPolarHBondContact OD1-CB 3.42Å; D244-R246 PolarHBondContact OD1-N 3.16Å; D244-R246 IonicContact OD1-NE 2.59Å; D244-T247 PolarHBondContact OD1-N 2.91Å; D244-T247 PolarHBondContact OD1-OG1 3.05Å; D244-G248 WeakPolarHBondContact O-CA 3.29Å; D244-G248 PolarHBondContact O-N 3.14Å; D244-A249 PolarHBondContact N-O 3.27Å
245P86.2Confident83.7Confident120 Ų12065.5 Ų65.578%0.77937%0.374SS*.THydrogen-bonded Turntrans-65-16-176.6-25.535.5000116.1
246R82.1Confident84.4Confident176 Ų17658.9 Ų58.966%0.66434%0.339SS*.THydrogen-bonded Turntrans-99.9-48-176.9-56.7176-68.5166.21.4111.8D244 F279D244-R246 PolarHBondContact O-N 3.35Å; D244-R246 VanDerWaalsContact O-N 3.15Å; D244-R246 WeakPolarHBondContact OD1-CA 3.4Å; D244-R246 VanDerWaalsContact OD1-CB 3.28Å; D244-R246 WeakPolarHBondContact OD1-CB 3.42Å; D244-R246 PolarHBondContact OD1-N 3.16Å; D244-R246 IonicContact OD1-NE 2.59Å; R246-F279 WeakPolarHBondContact O-CD2 3.31Å
247T85.9Confident85.2Confident66 Ų6654.2 Ų54.241%0.40532%0.317SS..THydrogen-bonded Turntrans-98-19.1-17762.50000113.5D244 A249 F279D244-T247 PolarHBondContact OD1-N 2.91Å; D244-T247 PolarHBondContact OD1-OG1 3.05Å; T247-A249 PolarHBondContact O-N 3.28Å; T247-A249 VanDerWaalsContact OG1-CB 3.26Å; T247-A249 WeakPolarHBondContact OG1-CB 3.35Å; T247-A249 PolarHBondContact OG1-N 3.26Å; T247-F279 WeakPolarHBondContact O-CB 3.29Å; T247-F279 WeakPolarHBondContact O-CD2 3.35Å; T247-F279 WeakPolarHBondContact O-CG 3.44Å; T247-F279 PolarHBondContact O-N 3.25Å; T247-F279 VanDerWaalsContact O-N 3.07Å
248G89.1Confident85.8Confident0 Ų051.1 Ų51.10%029%0.289CS..  trans72.91.5-171.200000113.7R243 D244 F279R243-G248 WeakPolarHBondContact CG-O 3.42Å; R243-G248 PolarHBondContact NH1-O 2.92Å; D244-G248 WeakPolarHBondContact O-CA 3.29Å; D244-G248 PolarHBondContact O-N 3.14Å; G248-F279 VanDerWaalsContact N-CE2 3.33Å
249A89.9Confident86.5Confident13 Ų1350.1 Ų50.111%0.10729%0.285CS..  trans-65.7146.9-176.800000112.1R243 D244 T247 H253 D278R243-A249 CarbonylContact C-O 3.56Å; R243-A249 WeakPolarHBondContact CA-O 3.42Å; D244-A249 PolarHBondContact N-O 3.27Å; T247-A249 PolarHBondContact O-N 3.28Å; T247-A249 VanDerWaalsContact OG1-CB 3.26Å; T247-A249 WeakPolarHBondContact OG1-CB 3.35Å; T247-A249 PolarHBondContact OG1-N 3.26Å; A249-H253 HydrophobicContact CB-CB 4.04Å; A249-D278 HydrophobicContact CB-CB 4.34Å
250T91.6Very high87.3Confident14 Ų1448.2 Ų48.29%0.08627%0.27CS..  trans-93.8165.2174.370.90000110.9R243 L252 H253 V254 A276R243-T250 HydrophobicContact CG-CG2 4.27Å; T250-L252 PolarHBondContact O-N 2.86Å; T250-L252 VanDerWaalsContact O-N 3.08Å; T250-H253 PolarHBondContact N-ND1 3.21Å; T250-H253 WeakPolarHBondContact O-CB 3.5Å; T250-H253 PolarHBondContact O-N 2.97Å; T250-H253 PolarHBondContact OG1-ND1 3.41Å; T250-V254 PolarHBondContact O-N 2.64Å; T250-A276 HydrophobicContact CG2-CB 4.35Å
251P91Very high88.5Confident21 Ų2144.5 Ų44.514%0.13623%0.233CC..Hα-helixtrans-57.7-29.2177.9-24.735.8000112.6W233 L242 H253 V254 A255 L267W233-P251 HydrophobicContact CH2-CB 4.27Å; W233-P251 HydrophobicContact CH2-CG 3.7Å; W233-P251 HydrophobicContact CZ3-CB 4.07Å; W233-P251 HydrophobicContact CZ3-CG 3.79Å; L242-P251 HydrophobicContact CB-CG 4.46Å; L242-P251 HydrophobicContact CD2-CG 4.32Å; L242-P251 WeakPolarHBondContact O-CD 3.47Å; P251-H253 VanDerWaalsContact C-N 3.31Å; P251-H253 PolarHBondContact O-N 3.41Å; P251-V254 PolarHBondContact O-N 3.47Å; P251-A255 WeakPolarHBondContact O-CB 3.3Å; P251-A255 PolarHBondContact O-N 3.1Å; P251-L267 HydrophobicContact CB-CD1 4.02Å; P251-L267 HydrophobicContact CB-CD2 4.45Å
252L92.1Very high89.4Confident0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-66.4-29.4175.5-161.370.7000112.8T250 A256 L264 L267 L272 V274 P284T250-L252 PolarHBondContact O-N 2.86Å; T250-L252 VanDerWaalsContact O-N 3.08Å; L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 3.48Å; L252-A256 VanDerWaalsContact O-N 3.14Å; L252-L264 HydrophobicContact CD1-CD1 3.76Å; L252-L264 HydrophobicContact CG-CD1 4.33Å; L252-L267 HydrophobicContact CD1-CB 3.73Å; L252-L267 HydrophobicContact CD1-CD1 4.39Å; L252-L272 HydrophobicContact CB-CD2 4.38Å; L252-L272 HydrophobicContact CD2-CB 4.44Å; L252-V274 HydrophobicContact CD2-CB 4.35Å; L252-V274 HydrophobicContact CD2-CG1 4.38Å; L252-V274 HydrophobicContact CD2-CG2 4.28Å; L252-P284 HydrophobicContact CB-CG 4.24Å; L252-P284 HydrophobicContact CD2-CB 4.49Å; L252-P284 HydrophobicContact CD2-CG 3.96Å; L252-P284 HydrophobicContact CG-CB 4.26Å; L252-P284 HydrophobicContact CG-CG 4.04Å
253H92.9Very high89.9Confident7 Ų743 Ų433%0.03222%0.221CC..Hα-helixtrans-70.8-42.9171.8-67.370.1000111.2A249 T250 P251 A256 A257 A276 W282A249-H253 HydrophobicContact CB-CB 4.04Å; T250-H253 PolarHBondContact N-ND1 3.21Å; T250-H253 WeakPolarHBondContact O-CB 3.5Å; T250-H253 PolarHBondContact O-N 2.97Å; T250-H253 PolarHBondContact OG1-ND1 3.41Å; P251-H253 VanDerWaalsContact C-N 3.31Å; P251-H253 PolarHBondContact O-N 3.41Å; H253-A256 PolarHBondContact O-N 3.39Å; H253-A257 WeakPolarHBondContact O-CB 3.4Å; H253-A257 PolarHBondContact O-N 2.92Å; H253-A276 PolarHBondContact CE1-O 3.18Å; H253-A276 PolarHBondContact NE2-O 3.35Å; H253-W282 PolarHBondContact NE2-O 3.3Å
254V91.1Very high90.2Very high48 Ų4838.3 Ų38.329%0.29120%0.203SC..Hα-helixtrans-66.9-46-179.6-172.20000110.6M226 T250 P251 A256 A257 K258M226-V254 HydrophobicContact CE-CB 3.85Å; M226-V254 HydrophobicContact CE-CG1 3.73Å; T250-V254 PolarHBondContact O-N 2.64Å; P251-V254 PolarHBondContact O-N 3.47Å; V254-A256 PolarHBondContact O-N 3.33Å; V254-A257 PolarHBondContact O-N 3.24Å; V254-K258 HydrophobicContact CG1-CD 4.25Å; V254-K258 HydrophobicContact CG1-CG 4.48Å; V254-K258 PolarHBondContact O-N 3.27Å
255A93.4Very high90.5Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-58.3-37.4173.400000112.6M226 P251 G259 Y260 L264 L267M226-A255 HydrophobicContact SD-CB 3.76Å; P251-A255 WeakPolarHBondContact O-CB 3.3Å; P251-A255 PolarHBondContact O-N 3.1Å; A255-G259 PolarHBondContact O-N 3.16Å; A255-G259 VanDerWaalsContact O-N 3.11Å; A255-Y260 PolarHBondContact O-N 2.69Å; A255-L264 HydrophobicContact CB-CB 4.12Å; A255-L264 HydrophobicContact CB-CD1 3.89Å; A255-L267 HydrophobicContact CB-CD1 4.1Å
256A94.3Very high90.6Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-73.9-38.7178.900000113.1L252 H253 V254 L264 P284 A288 Q293 L300L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 3.48Å; L252-A256 VanDerWaalsContact O-N 3.14Å; H253-A256 PolarHBondContact O-N 3.39Å; V254-A256 PolarHBondContact O-N 3.33Å; A256-L264 HydrophobicContact CB-CD1 4.06Å; A256-P284 HydrophobicContact CB-CB 4Å; A256-P284 VanDerWaalsContact CB-O 3.28Å; A256-P284 WeakPolarHBondContact CB-O 3.41Å; A256-A288 HydrophobicContact CB-CB 4.16Å; A256-A288 WeakPolarHBondContact O-CA 3.39Å; A256-Q293 WeakPolarHBondContact O-CG 3.31Å; A256-L300 HydrophobicContact CB-CD1 4.06Å
257A92.1Very high91Very high21 Ų2127.8 Ų27.817%0.17415%0.148CC..Hα-helixtrans-69.1-45.2176.700000112.6H253 V254 A287 W291 Q293H253-A257 WeakPolarHBondContact O-CB 3.4Å; H253-A257 PolarHBondContact O-N 2.92Å; V254-A257 PolarHBondContact O-N 3.24Å; A257-A287 HydrophobicContact CB-CB 4.24Å; A257-W291 HydrophobicContact CB-CG 4.39Å; A257-W291 WeakPolarHBondContact O-CB 3.23Å; A257-Q293 VanDerWaalsContact O-CG 3.29Å; A257-Q293 WeakPolarHBondContact O-CG 3.39Å; A257-Q293 PolarHBondContact O-NE2 3.32Å; A257-Q293 VanDerWaalsContact O-NE2 3.12Å
258K89.6Confident91.1Very high51 Ų5125.3 Ų25.322%0.22213%0.134CC..Hα-helixtrans-86.6-6.2-176.9-61.9-164.6174.3-161.80114.3C186 E222 V254 Y260C186-K258 WeakPolarHBondContact O-CE 3.36Å; C186-K258 PolarHBondContact O-NZ 3.35Å; C186-K258 VanDerWaalsContact O-NZ 3.1Å; E222-K258 VanDerWaalsContact OE1-CE 3.31Å; E222-K258 WeakPolarHBondContact OE1-CE 3.49Å; E222-K258 IonicContact OE1-NZ 2.75Å; E222-K258 PolarHBondContact OE1-NZ 2.93Å; E222-K258 IonicContact OE2-NZ 3.84Å; E222-K258 PolarHBondContact OE2-NZ 3.02Å; V254-K258 HydrophobicContact CG1-CD 4.25Å; V254-K258 HydrophobicContact CG1-CG 4.48Å; V254-K258 PolarHBondContact O-N 3.27Å; K258-Y260 VanDerWaalsContact C-N 3.35Å; K258-Y260 HydrophobicContact CB-CD1 4.16Å; K258-Y260 HydrophobicContact CB-CD2 4.06Å; K258-Y260 HydrophobicContact CB-CE1 3.94Å; K258-Y260 HydrophobicContact CB-CE2 3.85Å; K258-Y260 HydrophobicContact CB-CG 4.22Å; K258-Y260 HydrophobicContact CD-CE1 4.46Å; K258-Y260 HydrophobicContact CD-CE2 3.69Å; K258-Y260 WeakPolarHBondContact CD-OH 3.04Å; K258-Y260 HydrophobicContact CG-CE2 4.32Å; K258-Y260 PolarHBondContact O-N 3.29Å
259G91.2Very high91Very high17 Ų1731.1 Ų31.118%0.17516%0.161CC..THydrogen-bonded Turntrans7320.6179.200000115A255 M261A255-G259 PolarHBondContact O-N 3.16Å; A255-G259 VanDerWaalsContact O-N 3.11Å; G259-M261 VanDerWaalsContact C-N 3.28Å; G259-M261 WeakPolarHBondContact O-CE 3.46Å; G259-M261 PolarHBondContact O-N 2.98Å
260Y92.1Very high90.7Very high26 Ų2631.4 Ų31.410%0.10216%0.162CC..  trans-66.481.5179.3-63-30.3000111.5E222 E223 M226 A255 K258 E262 A263 L264E222-Y260 HydrophobicContact CG-CE2 4.17Å; E223-Y260 HydrophobicContact CB-CD1 3.85Å; E223-Y260 HydrophobicContact CB-CD2 4.25Å; E223-Y260 HydrophobicContact CB-CE1 3.81Å; E223-Y260 HydrophobicContact CB-CE2 4.21Å; E223-Y260 HydrophobicContact CB-CG 4.08Å; E223-Y260 HydrophobicContact CG-CD1 3.82Å; E223-Y260 HydrophobicContact CG-CD2 4.39Å; E223-Y260 HydrophobicContact CG-CE1 4.31Å; E223-Y260 HydrophobicContact CG-CG 3.87Å; E223-Y260 WeakPolarHBondContact OE1-CA 3.43Å; E223-Y260 WeakPolarHBondContact OE1-CB 3.33Å; M226-Y260 HydrophobicContact CE-CD2 3.89Å; M226-Y260 HydrophobicContact CE-CE2 4.1Å; M226-Y260 HydrophobicContact SD-CD2 4.1Å; A255-Y260 PolarHBondContact O-N 2.69Å; K258-Y260 VanDerWaalsContact C-N 3.35Å; K258-Y260 HydrophobicContact CB-CD1 4.16Å; K258-Y260 HydrophobicContact CB-CD2 4.06Å; K258-Y260 HydrophobicContact CB-CE1 3.94Å; K258-Y260 HydrophobicContact CB-CE2 3.85Å; K258-Y260 HydrophobicContact CB-CG 4.22Å; K258-Y260 HydrophobicContact CD-CE1 4.46Å; K258-Y260 HydrophobicContact CD-CE2 3.69Å; K258-Y260 WeakPolarHBondContact CD-OH 3.04Å; K258-Y260 HydrophobicContact CG-CE2 4.32Å; K258-Y260 PolarHBondContact O-N 3.29Å; Y260-E262 PolarHBondContact O-N 3.08Å; Y260-A263 PolarHBondContact O-N 3.45Å; Y260-L264 WeakPolarHBondContact O-CB 3.39Å; Y260-L264 PolarHBondContact O-N 2.96Å
261M90.8Very high90.3Very high39 Ų3933.7 Ų33.719%0.19219%0.188CC..Hα-helixtrans-68.5-33-160.2-157.356.145.200113.8G259 L264 K265 E295 A296 V299G259-M261 VanDerWaalsContact C-N 3.28Å; G259-M261 WeakPolarHBondContact O-CE 3.46Å; G259-M261 PolarHBondContact O-N 2.98Å; M261-L264 HydrophobicContact SD-CD2 4.37Å; M261-K265 WeakPolarHBondContact O-CD 3.49Å; M261-K265 VanDerWaalsContact O-CG 3.23Å; M261-K265 WeakPolarHBondContact O-CG 3.48Å; M261-K265 PolarHBondContact O-N 2.99Å; M261-E295 HydrophobicContact CE-CB 3.5Å; M261-E295 VanDerWaalsContact CE-CB 3.5Å; M261-E295 HydrophobicContact SD-CB 3.83Å; M261-A296 HydrophobicContact CE-CB 4.12Å; M261-V299 HydrophobicContact SD-CG2 3.8Å
262E90.4Very high90Very high133 Ų13333.6 Ų33.662%0.62119%0.187SC*.Hα-helixtrans-75.2-46.8176.3-58.6-162.8167.900110.1M227 Y260 L264 K265 M266M227-E262 HydrophobicContact CE-CB 3.57Å; M227-E262 HydrophobicContact SD-CB 3.89Å; Y260-E262 PolarHBondContact O-N 3.08Å; E262-L264 PolarHBondContact O-N 3Å; E262-K265 PolarHBondContact O-N 3.44Å; E262-M266 WeakPolarHBondContact O-CG 3.32Å; E262-M266 PolarHBondContact O-N 2.97Å
263A91.3Very high89.6Confident0 Ų038 Ų380%021%0.21CC..Hα-helixtrans-57.1-47.1175.700000111.5M226 M227 Y260 K265 M266 L267M226-A263 HydrophobicContact CG-CB 4.2Å; M226-A263 HydrophobicContact SD-CB 3.95Å; M227-A263 HydrophobicContact CG-CB 4.08Å; M227-A263 VanDerWaalsContact SD-CA 3.54Å; M227-A263 HydrophobicContact SD-CB 4.06Å; M227-A263 PolarHBondContact SD-N 3.25Å; M227-A263 VanDerWaalsContact SD-N 3.36Å; Y260-A263 PolarHBondContact O-N 3.45Å; A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 PolarHBondContact O-N 3.41Å; A263-M266 PolarHBondContact O-N 3.43Å; A263-M266 VanDerWaalsContact O-N 3.16Å; A263-L267 WeakPolarHBondContact O-CB 3.41Å; A263-L267 WeakPolarHBondContact O-CG 3.48Å; A263-L267 PolarHBondContact O-N 2.86Å
264L92.2Very high89.3Confident0 Ų038.7 Ų38.70%022%0.215CC..Hα-helixtrans-55.6-45177.2-170.173.6000112L252 A255 A256 Y260 M261 E262 C268 A296 V299 L300L252-L264 HydrophobicContact CD1-CD1 3.76Å; L252-L264 HydrophobicContact CG-CD1 4.33Å; A255-L264 HydrophobicContact CB-CB 4.12Å; A255-L264 HydrophobicContact CB-CD1 3.89Å; A256-L264 HydrophobicContact CB-CD1 4.06Å; Y260-L264 WeakPolarHBondContact O-CB 3.39Å; Y260-L264 PolarHBondContact O-N 2.96Å; M261-L264 HydrophobicContact SD-CD2 4.37Å; E262-L264 PolarHBondContact O-N 3Å; L264-C268 PolarHBondContact O-N 3.47Å; L264-C268 PolarHBondContact O-SG 2.71Å; L264-A296 HydrophobicContact CD2-CB 3.72Å; L264-V299 HydrophobicContact CD2-CB 3.94Å; L264-V299 HydrophobicContact CD2-CG1 3.91Å; L264-V299 HydrophobicContact CG-CG1 4.17Å; L264-L300 HydrophobicContact CD1-CD2 4.29Å
265K91.1Very high89.1Confident90 Ų9039.6 Ų39.639%0.39122%0.223SC..Hα-helixtrans-68.9-36.8178.5-72.5168.9-172.7173.90112.3M261 E262 A263 Q269 V299M261-K265 WeakPolarHBondContact O-CD 3.49Å; M261-K265 VanDerWaalsContact O-CG 3.23Å; M261-K265 WeakPolarHBondContact O-CG 3.48Å; M261-K265 PolarHBondContact O-N 2.99Å; E262-K265 PolarHBondContact O-N 3.44Å; A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 PolarHBondContact O-N 3.41Å; K265-Q269 WeakPolarHBondContact O-CG 3.32Å; K265-Q269 PolarHBondContact O-N 2.89Å; K265-Q269 PolarHBondContact O-NE2 2.85Å; K265-V299 HydrophobicContact CD-CG2 4.39Å; K265-V299 HydrophobicContact CG-CG1 3.93Å; K265-V299 HydrophobicContact CG-CG2 4.14Å
266M89.2Confident88.9Confident37 Ų3740.3 Ų40.318%0.18223%0.229CC..Hα-helixtrans-70.7-41.8175.7-64.4-49.4-62.200111.9M227 A230 L234 E262 A263 C268 Q269 C270M227-M266 HydrophobicContact SD-CG 4.14Å; A230-M266 HydrophobicContact CB-CB 4.01Å; L234-M266 HydrophobicContact CD2-CE 3.68Å; E262-M266 WeakPolarHBondContact O-CG 3.32Å; E262-M266 PolarHBondContact O-N 2.97Å; A263-M266 PolarHBondContact O-N 3.43Å; A263-M266 VanDerWaalsContact O-N 3.16Å; M266-C268 VanDerWaalsContact C-N 3.35Å; M266-C268 PolarHBondContact O-N 2.96Å; M266-Q269 WeakPolarHBondContact O-CB 3.14Å; M266-Q269 PolarHBondContact O-N 3.48Å; M266-Q269 VanDerWaalsContact O-N 3.11Å; M266-C270 PolarHBondContact O-N 3.24Å; M266-C270 PolarHBondContact O-SG 2.93Å
267L89.8Confident88.8Confident0 Ų043.2 Ų43.20%025%0.247CC..Hα-helixtrans-63.5-38.4176.8-69.3172.4000112.2M226 A230 W233 P251 L252 A255 A263 C270 L272M226-L267 HydrophobicContact CG-CD1 4.43Å; M226-L267 HydrophobicContact SD-CD1 4.17Å; A230-L267 HydrophobicContact CB-CD2 3.71Å; A230-L267 HydrophobicContact CB-CG 4.08Å; W233-L267 HydrophobicContact CE3-CD2 3.58Å; W233-L267 HydrophobicContact CZ3-CD2 3.47Å; W233-L267 VanDerWaalsContact CZ3-CD2 3.47Å; P251-L267 HydrophobicContact CB-CD1 4.02Å; P251-L267 HydrophobicContact CB-CD2 4.45Å; L252-L267 HydrophobicContact CD1-CB 3.73Å; L252-L267 HydrophobicContact CD1-CD1 4.39Å; A255-L267 HydrophobicContact CB-CD1 4.1Å; A263-L267 WeakPolarHBondContact O-CB 3.41Å; A263-L267 WeakPolarHBondContact O-CG 3.48Å; A263-L267 PolarHBondContact O-N 2.86Å; L267-C270 WeakPolarHBondContact O-CB 3.39Å; L267-C270 PolarHBondContact O-N 3.36Å; L267-L272 HydrophobicContact CB-CD2 4.42Å; L267-L272 HydrophobicContact CD2-CD1 4.31Å; L267-L272 HydrophobicContact CD2-CD2 4.04Å; L267-L272 PolarHBondContact O-N 3.13Å
268C88.1Confident88.8Confident15 Ų1543.4 Ų43.410%0.10125%0.245CC..Hα-helixtrans-62.7-40.3171.2-67.30000112.1L264 M266 C270 G271 Q303L264-C268 PolarHBondContact O-N 3.47Å; L264-C268 PolarHBondContact O-SG 2.71Å; M266-C268 VanDerWaalsContact C-N 3.35Å; M266-C268 PolarHBondContact O-N 2.96Å; C268-C270 VanDerWaalsContact C-N 3.3Å; C268-C270 PolarHBondContact O-N 2.94Å; C268-G271 PolarHBondContact O-N 3.28Å; C268-G271 VanDerWaalsContact O-N 3.07Å; C268-Q303 HydrophobicContact CB-CG 4.08Å
269Q87.2Confident88.8Confident122 Ų12246.7 Ų46.757%0.5726%0.259SS*.Hα-helixtrans-66.7-29.2175.5-72.6167.760.600113.2L234 K265 M266 G271L234-Q269 HydrophobicContact CD1-CB 4.23Å; K265-Q269 WeakPolarHBondContact O-CG 3.32Å; K265-Q269 PolarHBondContact O-N 2.89Å; K265-Q269 PolarHBondContact O-NE2 2.85Å; M266-Q269 WeakPolarHBondContact O-CB 3.14Å; M266-Q269 PolarHBondContact O-N 3.48Å; M266-Q269 VanDerWaalsContact O-N 3.11Å; Q269-G271 PolarHBondContact O-N 3.33Å
270C84.4Confident88.7Confident18 Ų1850.9 Ų50.912%0.12228%0.278CS..THydrogen-bonded Turntrans-71.6-4.1172.2-60.30000113.4A230 W233 L234 M266 L267 C268 L272A230-C270 PolarHBondContact O-SG 3.31Å; A230-C270 VanDerWaalsContact O-SG 3.33Å; W233-C270 HydrophobicContact CB-CB 4.36Å; L234-C270 PolarHBondContact N-SG 3.19Å; M266-C270 PolarHBondContact O-N 3.24Å; M266-C270 PolarHBondContact O-SG 2.93Å; L267-C270 WeakPolarHBondContact O-CB 3.39Å; L267-C270 PolarHBondContact O-N 3.36Å; C268-C270 VanDerWaalsContact C-N 3.3Å; C268-C270 PolarHBondContact O-N 2.94Å; C270-L272 HydrophobicContact CB-CD1 3.72Å
271G81.2Confident88.6Confident62 Ų6249.9 Ų49.964%0.63928%0.275SS*.THydrogen-bonded Turntrans75.924.517800000114.5C268 Q269C268-G271 PolarHBondContact O-N 3.28Å; C268-G271 VanDerWaalsContact O-N 3.07Å; Q269-G271 PolarHBondContact O-N 3.33Å
272L85.3Confident88.8Confident20 Ų2050.8 Ų50.811%0.10528%0.277CS..  trans-62141.1170.4-85.474.7000110.3W233 P238 L242 L252 L267 C270 V274W233-L272 HydrophobicContact CE3-CD1 4.4Å; P238-L272 HydrophobicContact CB-CD1 4.47Å; P238-L272 HydrophobicContact CG-CD1 4.49Å; L242-L272 HydrophobicContact CD1-CD2 4.25Å; L242-L272 HydrophobicContact CD1-CG 4.49Å; L252-L272 HydrophobicContact CB-CD2 4.38Å; L252-L272 HydrophobicContact CD2-CB 4.44Å; L267-L272 HydrophobicContact CB-CD2 4.42Å; L267-L272 HydrophobicContact CD2-CD1 4.31Å; L267-L272 HydrophobicContact CD2-CD2 4.04Å; L267-L272 PolarHBondContact O-N 3.13Å; C270-L272 HydrophobicContact CB-CD1 3.72Å; L272-V274 PolarHBondContact O-N 2.93Å; L272-V274 VanDerWaalsContact O-N 3.14Å
273D84.8Confident89Confident91 Ų9144.7 Ų44.749%0.48725%0.249SC..  trans-69.6109.8-178.8179.111.9000111.7S275 A276D273-S275 PolarHBondContact O-N 2.71Å; D273-S275 WeakPolarHBondContact OD1-CA 3.18Å; D273-S275 WeakPolarHBondContact OD1-CB 3.31Å; D273-S275 PolarHBondContact OD1-N 2.64Å; D273-S275 PolarHBondContact OD1-OG 2.96Å; D273-S275 PolarHBondContact OD2-OG 2.92Å; D273-A276 HydrophobicContact CB-CB 4.13Å; D273-A276 VanDerWaalsContact O-CB 3.29Å; D273-A276 WeakPolarHBondContact O-CB 3.26Å; D273-A276 PolarHBondContact O-N 3.34Å; D273-A276 PolarHBondContact OD1-N 2.91Å; D273-A276 PolarHBondContact OD2-N 3.02Å
274V85.7Confident89.1Confident22 Ų2244.7 Ų44.713%0.13325%0.249CC..THydrogen-bonded Turntrans-69.3-13.8178.2-159.90000112.4L252 L272 L300 Q303 C305L252-V274 HydrophobicContact CD2-CB 4.35Å; L252-V274 HydrophobicContact CD2-CG1 4.38Å; L252-V274 HydrophobicContact CD2-CG2 4.28Å; L272-V274 PolarHBondContact O-N 2.93Å; L272-V274 VanDerWaalsContact O-N 3.14Å; V274-L300 HydrophobicContact CG1-CD2 3.5Å; V274-L300 VanDerWaalsContact CG1-CD2 3.5Å; V274-Q303 HydrophobicContact CG1-CB 4.45Å; V274-Q303 HydrophobicContact CG2-CB 4.05Å; V274-C305 HydrophobicContact CB-CB 4.47Å; V274-C305 HydrophobicContact CG1-CB 3.72Å
275S86.1Confident89.2Confident68 Ų6844.8 Ų44.848%0.47625%0.249SC..THydrogen-bonded Turntrans-101.40.4174.970.50000114.4D273 T277D273-S275 PolarHBondContact O-N 2.71Å; D273-S275 WeakPolarHBondContact OD1-CA 3.18Å; D273-S275 WeakPolarHBondContact OD1-CB 3.31Å; D273-S275 PolarHBondContact OD1-N 2.64Å; D273-S275 PolarHBondContact OD1-OG 2.96Å; D273-S275 PolarHBondContact OD2-OG 2.92Å; S275-T277 PolarHBondContact O-N 3.08Å
276A89.8Confident89.4Confident14 Ų1440.5 Ų40.512%0.11623%0.231CC..  trans-58.6136.717600000110.9T250 H253 D273 P284T250-A276 HydrophobicContact CG2-CB 4.35Å; H253-A276 PolarHBondContact CE1-O 3.18Å; H253-A276 PolarHBondContact NE2-O 3.35Å; D273-A276 HydrophobicContact CB-CB 4.13Å; D273-A276 VanDerWaalsContact O-CB 3.29Å; D273-A276 WeakPolarHBondContact O-CB 3.26Å; D273-A276 PolarHBondContact O-N 3.34Å; D273-A276 PolarHBondContact OD1-N 2.91Å; D273-A276 PolarHBondContact OD2-N 3.02Å; A276-P284 WeakPolarHBondContact O-CD 3.38Å
277T91.7Very high89.6Confident61 Ų6139.1 Ų39.137%0.37423%0.225SC..  trans-105.3150.9175.762.30000112.6R243 S275 W282 T283R243-T277 VanDerWaalsContact CZ-O 3.24Å; R243-T277 PolarHBondContact NH1-O 3.13Å; R243-T277 PolarHBondContact NH2-O 2.88Å; S275-T277 PolarHBondContact O-N 3.08Å; T277-W282 CarbonylContact C-O 3.59Å; T277-W282 WeakPolarHBondContact CA-O 3.43Å; T277-W282 WeakPolarHBondContact CB-O 3.46Å; T277-T283 HydrophobicContact CG2-CG2 3.86Å
278D92.2Very high89.8Confident25 Ų2539.1 Ų39.113%0.13423%0.225CC..  trans-80.2-163.21686911.3000112.9A249 D280 G281 W282A249-D278 HydrophobicContact CB-CB 4.34Å; D278-D280 WeakPolarHBondContact OD1-CA 3.38Å; D278-D280 PolarHBondContact OD1-N 3.45Å; D278-G281 PolarHBondContact O-N 3.41Å; D278-G281 PolarHBondContact OD1-N 3.39Å; D278-W282 PolarHBondContact N-O 3.02Å; D278-W282 PolarHBondContact OD1-N 3.36Å
279F90.2Very high90.1Very high120 Ų12038.4 Ų38.453%0.52622%0.22SC..SBendtrans-74.6-24.7178.1-64.9-26.2000114.3R246 T247 G248 G281 N312R246-F279 WeakPolarHBondContact O-CD2 3.31Å; T247-F279 WeakPolarHBondContact O-CB 3.29Å; T247-F279 WeakPolarHBondContact O-CD2 3.35Å; T247-F279 WeakPolarHBondContact O-CG 3.44Å; T247-F279 PolarHBondContact O-N 3.25Å; T247-F279 VanDerWaalsContact O-N 3.07Å; G248-F279 VanDerWaalsContact N-CE2 3.33Å; F279-G281 VanDerWaalsContact C-N 3.28Å; F279-N312 PolarHBondContact O-ND2 2.9Å
280D88.7Confident90.3Very high105 Ų10536.2 Ų36.256%0.56121%0.21SC*.SBendtrans-87-1.5174.5-74.2-61.1000112.6D278 W282 N312D278-D280 WeakPolarHBondContact OD1-CA 3.38Å; D278-D280 PolarHBondContact OD1-N 3.45Å; D280-W282 VanDerWaalsContact C-N 3.28Å; D280-N312 VanDerWaalsContact O-CB 3.3Å; D280-N312 WeakPolarHBondContact O-CB 3.26Å; D280-N312 PolarHBondContact O-N 2.83Å; D280-N312 PolarHBondContact O-ND2 3.47Å
281G91.6Very high90.6Very high5 Ų541.9 Ų41.95%0.05223%0.229CC..  trans818.8-179.900000113D278 F279 S311D278-G281 PolarHBondContact O-N 3.41Å; D278-G281 PolarHBondContact OD1-N 3.39Å; F279-G281 VanDerWaalsContact C-N 3.28Å; G281-S311 WeakPolarHBondContact O-CA 3.42Å
282W94.1Very high91.2Very high58 Ų5840.4 Ų40.422%0.2221%0.214CC..  trans-70.5149.8175.2-72.139.7000109.3H253 T277 D278 D280 H286 H290 V320H253-W282 PolarHBondContact NE2-O 3.3Å; T277-W282 CarbonylContact C-O 3.59Å; T277-W282 WeakPolarHBondContact CA-O 3.43Å; T277-W282 WeakPolarHBondContact CB-O 3.46Å; D278-W282 PolarHBondContact N-O 3.02Å; D278-W282 PolarHBondContact OD1-N 3.36Å; D280-W282 VanDerWaalsContact C-N 3.28Å; W282-H286 HydrophobicContact CB-CB 3.89Å; W282-H286 HydrophobicContact CD2-CB 3.97Å; W282-H286 HydrophobicContact CE3-CB 3.86Å; W282-H286 HydrophobicContact CG-CB 4.01Å; W282-H290 HydrophobicContact CH2-CB 3.97Å; W282-H290 AromaticContact CH2-CD2 3.62Å; W282-H290 AromaticContact CH2-CG 3.67Å; W282-H290 HydrophobicContact CZ3-CB 3.65Å; W282-H290 AromaticContact CZ3-CG 3.77Å; W282-V320 HydrophobicContact CH2-CG1 4.08Å; W282-V320 HydrophobicContact CZ2-CG1 4.42Å
283T94.3Very high91.5Very high6 Ų642.2 Ų42.24%0.03722%0.222CC..  trans-105.5168.7170.459.60000109.5T277 L285 H286 A287 A309T277-T283 HydrophobicContact CG2-CG2 3.86Å; T283-L285 PolarHBondContact O-N 3.24Å; T283-H286 PolarHBondContact N-ND1 3.48Å; T283-H286 WeakPolarHBondContact O-CB 3.13Å; T283-H286 PolarHBondContact O-N 2.81Å; T283-H286 PolarHBondContact OG1-ND1 2.64Å; T283-A287 PolarHBondContact O-N 3.47Å; T283-A287 VanDerWaalsContact O-N 3.14Å; T283-A309 HydrophobicContact CG2-CB 3.96Å
284P94.4Very high91.9Very high0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-53.5-29.7172.6-27.335.5000113.4L252 A256 A276 A287 A288 L300L252-P284 HydrophobicContact CB-CG 4.24Å; L252-P284 HydrophobicContact CD2-CB 4.49Å; L252-P284 HydrophobicContact CD2-CG 3.96Å; L252-P284 HydrophobicContact CG-CB 4.26Å; L252-P284 HydrophobicContact CG-CG 4.04Å; A256-P284 HydrophobicContact CB-CB 4Å; A256-P284 VanDerWaalsContact CB-O 3.28Å; A256-P284 WeakPolarHBondContact CB-O 3.41Å; A276-P284 WeakPolarHBondContact O-CD 3.38Å; P284-A287 PolarHBondContact O-N 2.85Å; P284-A288 PolarHBondContact O-N 3.39Å; P284-L300 HydrophobicContact CB-CD1 4.12Å; P284-L300 HydrophobicContact CB-CD2 3.99Å
285L94.1Very high92.2Very high2 Ų244.5 Ų44.51%0.0123%0.228CC..Hα-helixtrans-71.4-36.8175.3-173.767.2000112.9T283 A287 A289 C297 L300 M307 P317 L329T283-L285 PolarHBondContact O-N 3.24Å; L285-A287 VanDerWaalsContact C-N 3.3Å; L285-A289 WeakPolarHBondContact O-CB 3.43Å; L285-A289 PolarHBondContact O-N 3.14Å; L285-C297 HydrophobicContact CD1-CB 4.22Å; L285-L300 HydrophobicContact CB-CD1 4.39Å; L285-L300 HydrophobicContact CD1-CB 4.3Å; L285-L300 HydrophobicContact CD1-CD1 4.33Å; L285-M307 HydrophobicContact CD2-CE 4.08Å; L285-M307 HydrophobicContact CD2-SD 3.55Å; L285-M307 VanDerWaalsContact CD2-SD 3.55Å; L285-P317 HydrophobicContact CB-CG 4.41Å; L285-P317 HydrophobicContact CD2-CB 4.15Å; L285-P317 HydrophobicContact CD2-CG 3.83Å; L285-P317 HydrophobicContact CG-CB 4.02Å; L285-P317 HydrophobicContact CG-CG 3.99Å; L285-L329 HydrophobicContact CD1-CD2 3.88Å; L285-L329 HydrophobicContact CG-CD2 4.48Å
286H94.1Very high92.6Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-62.4-41.8171.5-71.984.7000110.5W282 T283 A289 H290 Q315W282-H286 HydrophobicContact CB-CB 3.89Å; W282-H286 HydrophobicContact CD2-CB 3.97Å; W282-H286 HydrophobicContact CE3-CB 3.86Å; W282-H286 HydrophobicContact CG-CB 4.01Å; T283-H286 PolarHBondContact N-ND1 3.48Å; T283-H286 WeakPolarHBondContact O-CB 3.13Å; T283-H286 PolarHBondContact O-N 2.81Å; T283-H286 PolarHBondContact OG1-ND1 2.64Å; H286-A289 PolarHBondContact O-N 3.01Å; H286-H290 WeakPolarHBondContact O-CB 3.45Å; H286-H290 PolarHBondContact O-N 3.28Å; H286-Q315 PolarHBondContact NE2-O 2.96Å
287A93.1Very high92.7Very high8 Ų840.6 Ų40.67%0.06620%0.2CC..Hα-helixtrans-63.6-48.8177.500000112.1A257 T283 P284 L285 A289 H290 W291A257-A287 HydrophobicContact CB-CB 4.24Å; T283-A287 PolarHBondContact O-N 3.47Å; T283-A287 VanDerWaalsContact O-N 3.14Å; P284-A287 PolarHBondContact O-N 2.85Å; L285-A287 VanDerWaalsContact C-N 3.3Å; A287-A289 VanDerWaalsContact C-N 3.31Å; A287-A289 PolarHBondContact O-N 3.31Å; A287-H290 PolarHBondContact O-N 2.92Å; A287-W291 PolarHBondContact O-N 3.14Å
288A94.4Very high92.7Very high0 Ų041.7 Ų41.70%020%0.197CC..Hα-helixtrans-61.4-38.2175.300000112.8A256 P284 G292 Q293 A296 C297 L300A256-A288 HydrophobicContact CB-CB 4.16Å; A256-A288 WeakPolarHBondContact O-CA 3.39Å; P284-A288 PolarHBondContact O-N 3.39Å; A288-G292 PolarHBondContact O-N 3.11Å; A288-Q293 HydrophobicContact CB-CB 4.22Å; A288-Q293 PolarHBondContact O-N 3.45Å; A288-A296 HydrophobicContact CB-CB 3.87Å; A288-C297 VanDerWaalsContact CB-SG 3.56Å; A288-L300 HydrophobicContact CB-CD1 4Å
289A94Very high92.7Very high0 Ų040.8 Ų40.80%019%0.192CC..Hα-helixtrans-66.7-47178.600000112.6L285 H286 A287 W291 G292 P317 A321 L329L285-A289 WeakPolarHBondContact O-CB 3.43Å; L285-A289 PolarHBondContact O-N 3.14Å; H286-A289 PolarHBondContact O-N 3.01Å; A287-A289 VanDerWaalsContact C-N 3.31Å; A287-A289 PolarHBondContact O-N 3.31Å; A289-W291 PolarHBondContact O-N 3.25Å; A289-G292 PolarHBondContact O-N 3.05Å; A289-P317 HydrophobicContact CB-CB 4.14Å; A289-A321 HydrophobicContact CB-CB 4.15Å; A289-L329 HydrophobicContact CB-CD1 4.03Å
290H92.8Very high92.8Very high75 Ų7535 Ų3535%0.34717%0.167SC..Hα-helixtrans-60.3-41.3179.1-179.7-97.5000113W282 H286 A287 G292 V320W282-H290 HydrophobicContact CH2-CB 3.97Å; W282-H290 AromaticContact CH2-CD2 3.62Å; W282-H290 AromaticContact CH2-CG 3.67Å; W282-H290 HydrophobicContact CZ3-CB 3.65Å; W282-H290 AromaticContact CZ3-CG 3.77Å; H286-H290 WeakPolarHBondContact O-CB 3.45Å; H286-H290 PolarHBondContact O-N 3.28Å; A287-H290 PolarHBondContact O-N 2.92Å; H290-G292 VanDerWaalsContact C-N 3.35Å; H290-V320 HydrophobicContact CB-CG1 3.73Å
291W90.7Very high92.8Very high137 Ų13730.2 Ų30.252%0.51914%0.142SC..THydrogen-bonded Turntrans-94.818.3-175.2-63.7108.9000113.6A257 A287 A289 Q293A257-W291 HydrophobicContact CB-CG 4.39Å; A257-W291 WeakPolarHBondContact O-CB 3.23Å; A287-W291 PolarHBondContact O-N 3.14Å; A289-W291 PolarHBondContact O-N 3.25Å; W291-Q293 VanDerWaalsContact C-N 3.28Å; W291-Q293 HydrophobicContact CB-CG 4.22Å; W291-Q293 PolarHBondContact O-N 3.14Å
292G92.4Very high92.6Very high32 Ų3236.8 Ų36.833%0.3317%0.171SC..THydrogen-bonded Turntrans73.210.8172.700000115.8A288 A289 H290 E294A288-G292 PolarHBondContact O-N 3.11Å; A289-G292 PolarHBondContact O-N 3.05Å; H290-G292 VanDerWaalsContact C-N 3.35Å; G292-E294 PolarHBondContact O-N 2.93Å
293Q93.1Very high92.2Very high57 Ų5738.5 Ų38.527%0.26618%0.182SC..  trans-82.476.1-165.9-58.5-65.9-900112.7A256 A257 A288 W291 E295 A296 C297A256-Q293 WeakPolarHBondContact O-CG 3.31Å; A257-Q293 VanDerWaalsContact O-CG 3.29Å; A257-Q293 WeakPolarHBondContact O-CG 3.39Å; A257-Q293 PolarHBondContact O-NE2 3.32Å; A257-Q293 VanDerWaalsContact O-NE2 3.12Å; A288-Q293 HydrophobicContact CB-CB 4.22Å; A288-Q293 PolarHBondContact O-N 3.45Å; W291-Q293 VanDerWaalsContact C-N 3.28Å; W291-Q293 HydrophobicContact CB-CG 4.22Å; W291-Q293 PolarHBondContact O-N 3.14Å; Q293-E295 PolarHBondContact O-N 3.15Å; Q293-A296 HydrophobicContact CB-CB 3.78Å; Q293-A296 PolarHBondContact O-N 3.42Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; Q293-C297 PolarHBondContact O-N 2.93Å; Q293-C297 PolarHBondContact O-SG 3.11Å; Q293-C297 VanDerWaalsContact O-SG 3.32Å
294E93Very high91.7Very high72 Ų7242.7 Ų42.734%0.33620%0.204SC..Hα-helixtrans-48.6-53.4-178.8-77.3-164.8-141.100114G292 A296 C297 R298 V325 L328G292-E294 PolarHBondContact O-N 2.93Å; E294-A296 VanDerWaalsContact C-N 3.29Å; E294-A296 PolarHBondContact O-N 3.17Å; E294-C297 WeakPolarHBondContact O-CB 3.42Å; E294-C297 PolarHBondContact O-N 2.93Å; E294-R298 WeakPolarHBondContact O-CG 3.36Å; E294-R298 PolarHBondContact O-N 3.48Å; E294-R298 IonicContact OE2-CZ 2.64Å; E294-R298 IonicContact OE2-NH2 2.95Å; E294-R298 PolarHBondContact OE2-NH2 3.18Å; E294-V325 HydrophobicContact CG-CG2 4.09Å; E294-L328 HydrophobicContact CB-CD2 3.52Å; E294-L328 HydrophobicContact CG-CD2 3.59Å
295E92Very high91.4Very high90 Ų9043 Ų4342%0.42121%0.206SC..Hα-helixtrans-67.8-29.8-177.1-72.2-65.2139.500112.2M261 Q293 R298 V299M261-E295 HydrophobicContact CE-CB 3.5Å; M261-E295 VanDerWaalsContact CE-CB 3.5Å; M261-E295 HydrophobicContact SD-CB 3.83Å; Q293-E295 PolarHBondContact O-N 3.15Å; E295-R298 PolarHBondContact O-N 2.97Å; E295-R298 WeakPolarHBondContact OE1-CD 3.42Å; E295-R298 IonicContact OE1-CZ 2.96Å; E295-R298 IonicContact OE1-NE 2.83Å; E295-R298 PolarHBondContact OE1-NE 3.06Å; E295-R298 IonicContact OE1-NH1 2.77Å; E295-R298 PolarHBondContact OE1-NH1 3.31Å; E295-V299 WeakPolarHBondContact O-CG2 3.23Å; E295-V299 PolarHBondContact O-N 3.27Å
296A94Very high91Very high0 Ų047.2 Ų47.20%023%0.228CC..Hα-helixtrans-70.1-41.2174.500000110.3M261 L264 A288 Q293 E294 R298 V299 L300M261-A296 HydrophobicContact CE-CB 4.12Å; L264-A296 HydrophobicContact CD2-CB 3.72Å; A288-A296 HydrophobicContact CB-CB 3.87Å; Q293-A296 HydrophobicContact CB-CB 3.78Å; Q293-A296 PolarHBondContact O-N 3.42Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; E294-A296 VanDerWaalsContact C-N 3.29Å; E294-A296 PolarHBondContact O-N 3.17Å; A296-R298 VanDerWaalsContact C-N 3.3Å; A296-R298 PolarHBondContact O-N 3.31Å; A296-V299 PolarHBondContact O-N 2.98Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 WeakPolarHBondContact O-CD1 3.12Å; A296-L300 WeakPolarHBondContact O-CG 3.48Å; A296-L300 PolarHBondContact O-N 3.08Å
297C92.4Very high90.6Very high0 Ų047.3 Ų47.30%023%0.229CC..Hα-helixtrans-58.1-41.4171.8-63.70000111.7L285 A288 Q293 E294 A301 L329 L332L285-C297 HydrophobicContact CD1-CB 4.22Å; A288-C297 VanDerWaalsContact CB-SG 3.56Å; Q293-C297 PolarHBondContact O-N 2.93Å; Q293-C297 PolarHBondContact O-SG 3.11Å; Q293-C297 VanDerWaalsContact O-SG 3.32Å; E294-C297 WeakPolarHBondContact O-CB 3.42Å; E294-C297 PolarHBondContact O-N 2.93Å; C297-A301 WeakPolarHBondContact O-CB 3.28Å; C297-A301 PolarHBondContact O-N 3.35Å; C297-L329 HydrophobicContact CB-CD2 4.04Å; C297-L332 HydrophobicContact CB-CD1 4.24Å
298R91.8Very high90.3Very high83 Ų8353.4 Ų53.431%0.31326%0.256SS..Hα-helixtrans-60.8-52175.9-65.9168.8-165.4-164.80.8111.4E294 E295 A296 L300 A301 E302 L328 L332E294-R298 WeakPolarHBondContact O-CG 3.36Å; E294-R298 PolarHBondContact O-N 3.48Å; E294-R298 IonicContact OE2-CZ 2.64Å; E294-R298 IonicContact OE2-NH2 2.95Å; E294-R298 PolarHBondContact OE2-NH2 3.18Å; E295-R298 PolarHBondContact O-N 2.97Å; E295-R298 WeakPolarHBondContact OE1-CD 3.42Å; E295-R298 IonicContact OE1-CZ 2.96Å; E295-R298 IonicContact OE1-NE 2.83Å; E295-R298 PolarHBondContact OE1-NE 3.06Å; E295-R298 IonicContact OE1-NH1 2.77Å; E295-R298 PolarHBondContact OE1-NH1 3.31Å; A296-R298 VanDerWaalsContact C-N 3.3Å; A296-R298 PolarHBondContact O-N 3.31Å; R298-L300 PolarHBondContact O-N 3.5Å; R298-A301 PolarHBondContact O-N 3.42Å; R298-E302 WeakPolarHBondContact O-CG 3.44Å; R298-E302 PolarHBondContact O-N 3.27Å; R298-L328 HydrophobicContact CG-CD1 4.27Å; R298-L328 HydrophobicContact CG-CD2 4.21Å; R298-L332 HydrophobicContact CG-CD1 4.06Å; R298-L332 HydrophobicContact CG-CD2 4.24Å
299V92.1Very high90.1Very high6 Ų654 Ų544%0.03626%0.26CS..Hα-helixtrans-60.4-43.7179172.40000112.1M261 L264 K265 E295 A296 E302 Q303M261-V299 HydrophobicContact SD-CG2 3.8Å; L264-V299 HydrophobicContact CD2-CB 3.94Å; L264-V299 HydrophobicContact CD2-CG1 3.91Å; L264-V299 HydrophobicContact CG-CG1 4.17Å; K265-V299 HydrophobicContact CD-CG2 4.39Å; K265-V299 HydrophobicContact CG-CG1 3.93Å; K265-V299 HydrophobicContact CG-CG2 4.14Å; E295-V299 WeakPolarHBondContact O-CG2 3.23Å; E295-V299 PolarHBondContact O-N 3.27Å; A296-V299 PolarHBondContact O-N 2.98Å; V299-E302 PolarHBondContact O-N 2.87Å; V299-Q303 PolarHBondContact O-N 3.42Å
300L91.3Very high90Very high0 Ų062 Ų620%029%0.291CS..Hα-helixtrans-65.1-40.3177.6-67.7167.8000111.5A256 L264 V274 P284 L285 A288 A296 R298 Q303 C305A256-L300 HydrophobicContact CB-CD1 4.06Å; L264-L300 HydrophobicContact CD1-CD2 4.29Å; V274-L300 HydrophobicContact CG1-CD2 3.5Å; V274-L300 VanDerWaalsContact CG1-CD2 3.5Å; P284-L300 HydrophobicContact CB-CD1 4.12Å; P284-L300 HydrophobicContact CB-CD2 3.99Å; L285-L300 HydrophobicContact CB-CD1 4.39Å; L285-L300 HydrophobicContact CD1-CB 4.3Å; L285-L300 HydrophobicContact CD1-CD1 4.33Å; A288-L300 HydrophobicContact CB-CD1 4Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 WeakPolarHBondContact O-CD1 3.12Å; A296-L300 WeakPolarHBondContact O-CG 3.48Å; A296-L300 PolarHBondContact O-N 3.08Å; R298-L300 PolarHBondContact O-N 3.5Å; L300-Q303 PolarHBondContact O-N 2.97Å; L300-C305 WeakPolarHBondContact O-CB 3.46Å; L300-C305 PolarHBondContact O-N 3.26Å; L300-C305 PolarHBondContact O-SG 2.97Å
301A88.8Confident90Very high4 Ų458.9 Ų58.93%0.03328%0.277CS..Hα-helixtrans-68-33.4177.600000113C297 R298 Q303 L304 M307 L332 Q336C297-A301 WeakPolarHBondContact O-CB 3.28Å; C297-A301 PolarHBondContact O-N 3.35Å; R298-A301 PolarHBondContact O-N 3.42Å; A301-Q303 VanDerWaalsContact C-N 3.31Å; A301-L304 PolarHBondContact O-N 3.12Å; A301-M307 HydrophobicContact CB-SD 4.2Å; A301-L332 HydrophobicContact CB-CB 4Å; A301-L332 HydrophobicContact CB-CD1 3.97Å; A301-L332 HydrophobicContact CB-CD2 4.02Å; A301-L332 HydrophobicContact CB-CG 4.22Å; A301-Q336 PolarHBondContact O-NE2 3.43Å
302E87.3Confident90Very high142 Ų14258.4 Ų58.466%0.66429%0.285SS*.Hα-helixtrans-62-36.4170.8-75179.1171.600112.2R298 V299 L304R298-E302 WeakPolarHBondContact O-CG 3.44Å; R298-E302 PolarHBondContact O-N 3.27Å; V299-E302 PolarHBondContact O-N 2.87Å; E302-L304 PolarHBondContact O-N 3.44Å; E302-L304 VanDerWaalsContact O-N 3.11Å
303Q86.6Confident89.9Confident95 Ų9559.9 Ų59.944%0.44430%0.3SS..THydrogen-bonded Turntrans-74.711.9172.3-56.2-48.2-57.500113.7C268 V274 V299 L300 A301 C305C268-Q303 HydrophobicContact CB-CG 4.08Å; V274-Q303 HydrophobicContact CG1-CB 4.45Å; V274-Q303 HydrophobicContact CG2-CB 4.05Å; V299-Q303 PolarHBondContact O-N 3.42Å; L300-Q303 PolarHBondContact O-N 2.97Å; A301-Q303 VanDerWaalsContact C-N 3.31Å; Q303-C305 VanDerWaalsContact C-N 3.26Å; Q303-C305 PolarHBondContact O-N 3.38Å
304L84.2Confident89.8Confident94 Ų9458.5 Ų58.549%0.49230%0.301SS..THydrogen-bonded Turntrans57.533.5177.5-57177.7000114.1A301 E302 Q336A301-L304 PolarHBondContact O-N 3.12Å; E302-L304 PolarHBondContact O-N 3.44Å; E302-L304 VanDerWaalsContact O-N 3.11Å; L304-Q336 HydrophobicContact CD2-CG 4.25Å
305C86.3Confident89.8Confident7 Ų759 Ų595%0.04730%0.304CS..  trans-56.9157.8175.771.20000112.5V274 L300 Q303 M307 Q336V274-C305 HydrophobicContact CB-CB 4.47Å; V274-C305 HydrophobicContact CG1-CB 3.72Å; L300-C305 WeakPolarHBondContact O-CB 3.46Å; L300-C305 PolarHBondContact O-N 3.26Å; L300-C305 PolarHBondContact O-SG 2.97Å; Q303-C305 VanDerWaalsContact C-N 3.26Å; Q303-C305 PolarHBondContact O-N 3.38Å; C305-M307 PolarHBondContact O-N 3.42Å; C305-M307 VanDerWaalsContact O-N 3.11Å; C305-Q336 PolarHBondContact O-NE2 3.11Å
306N86.8Confident89.8Confident89 Ų8955.6 Ų55.648%0.47629%0.289SS..  trans-78.497.1179.6-175.818.3000111.3E308 A309N306-E308 PolarHBondContact O-N 2.93Å; N306-E308 PolarHBondContact OD1-N 2.87Å; N306-A309 HydrophobicContact CB-CB 4.35Å; N306-A309 PolarHBondContact ND2-N 3.12Å; N306-A309 VanDerWaalsContact O-CB 3.3Å; N306-A309 WeakPolarHBondContact O-CB 3.2Å; N306-A309 PolarHBondContact O-N 3.22Å; N306-A309 VanDerWaalsContact O-N 3.16Å
307M85.1Confident89.7Confident2 Ų255.6 Ų55.61%0.0129%0.289CS..THydrogen-bonded Turntrans-60-25.5174-49.2-63.7-69.600112.8L285 A301 C305 P317 F318 L329 L332 L333L285-M307 HydrophobicContact CD2-CE 4.08Å; L285-M307 HydrophobicContact CD2-SD 3.55Å; L285-M307 VanDerWaalsContact CD2-SD 3.55Å; A301-M307 HydrophobicContact CB-SD 4.2Å; C305-M307 PolarHBondContact O-N 3.42Å; C305-M307 VanDerWaalsContact O-N 3.11Å; M307-P317 WeakPolarHBondContact O-CD 3.29Å; M307-F318 HydrophobicContact CB-CE2 4.1Å; M307-F318 HydrophobicContact CB-CZ 4.48Å; M307-F318 HydrophobicContact CE-CZ 4.36Å; M307-F318 WeakPolarHBondContact O-CE2 3.43Å; M307-L329 HydrophobicContact CE-CB 4.29Å; M307-L329 HydrophobicContact CE-CD2 3.6Å; M307-L332 HydrophobicContact CE-CB 4.18Å; M307-L333 HydrophobicContact CB-CD1 4.05Å; M307-L333 HydrophobicContact CG-CD1 4.05Å
308E87.7Confident89.7Confident137 Ų13757.9 Ų57.964%0.6430%0.299SS*.THydrogen-bonded Turntrans-97.316.6179.9-60.9177.1-157.300112.7N306N306-E308 PolarHBondContact O-N 2.93Å; N306-E308 PolarHBondContact OD1-N 2.87Å
309A90Very high89.7Confident11 Ų1158.8 Ų58.89%0.09131%0.31CS..  trans-58.3150.3171.900000110.8T283 N306 T316 P317T283-A309 HydrophobicContact CG2-CB 3.96Å; N306-A309 HydrophobicContact CB-CB 4.35Å; N306-A309 PolarHBondContact ND2-N 3.12Å; N306-A309 VanDerWaalsContact O-CB 3.3Å; N306-A309 WeakPolarHBondContact O-CB 3.2Å; N306-A309 PolarHBondContact O-N 3.22Å; N306-A309 VanDerWaalsContact O-N 3.16Å; A309-T316 WeakPolarHBondContact O-CA 3.48Å; A309-P317 WeakPolarHBondContact O-CD 3.17Å
310R92.3Very high89.6Confident170 Ų17059.7 Ų59.764%0.64232%0.316SS*.  trans-127133.9178.6-71-179.3-177.9-1011.1111.9G314 Q315 T316R310-G314 PolarHBondContact NH1-O 3.44Å; R310-Q315 CarbonylContact C-O 3.31Å; R310-Q315 WeakPolarHBondContact CA-O 3.4Å; R310-T316 HydrophobicContact CG-CG2 3.98Å
311S92.3Very high89.6Confident9 Ų960.7 Ų60.76%0.06332%0.324CS..  trans-67.7173.4171.8750000112.4G281 G313 G314 Q315G281-S311 WeakPolarHBondContact O-CA 3.42Å; S311-G313 PolarHBondContact O-N 2.95Å; S311-G313 PolarHBondContact OG-N 3.31Å; S311-G314 WeakPolarHBondContact O-CA 3.35Å; S311-G314 PolarHBondContact O-N 2.77Å; S311-Q315 PolarHBondContact N-O 2.97Å; S311-Q315 PolarHBondContact OG-N 3.46Å
312N91.1Very high89.6Confident126 Ų12665.6 Ų65.667%0.67435%0.349SS*.THydrogen-bonded Turntrans-61.2-22.7171.5-69.9-26.4000112.8F279 D280 G314F279-N312 PolarHBondContact O-ND2 2.9Å; D280-N312 VanDerWaalsContact O-CB 3.3Å; D280-N312 WeakPolarHBondContact O-CB 3.26Å; D280-N312 PolarHBondContact O-N 2.83Å; D280-N312 PolarHBondContact O-ND2 3.47Å; N312-G314 VanDerWaalsContact C-N 3.3Å
313G89Confident89.6Confident63 Ų6367.3 Ų67.365%0.64936%0.357SS*.THydrogen-bonded Turntrans-79.7-6.6170.900000114.4S311 Q315S311-G313 PolarHBondContact O-N 2.95Å; S311-G313 PolarHBondContact OG-N 3.31Å; G313-Q315 VanDerWaalsContact C-N 3.29Å; G313-Q315 PolarHBondContact O-N 2.91Å
314G91.6Very high89.7Confident29 Ų2966.2 Ų66.230%0.29936%0.36SS..SBendtrans81.9-0.5-178.500000115.2R310 S311 N312R310-G314 PolarHBondContact NH1-O 3.44Å; S311-G314 WeakPolarHBondContact O-CA 3.35Å; S311-G314 PolarHBondContact O-N 2.77Å; N312-G314 VanDerWaalsContact C-N 3.3Å
315Q92.6Very high90Very high83 Ų8361.8 Ų61.839%0.38834%0.337SS..  trans-70149.3175.2-63.9164.8-77.100111H286 R310 S311 G313 D319 V320H286-Q315 PolarHBondContact NE2-O 2.96Å; R310-Q315 CarbonylContact C-O 3.31Å; R310-Q315 WeakPolarHBondContact CA-O 3.4Å; S311-Q315 PolarHBondContact N-O 2.97Å; S311-Q315 PolarHBondContact OG-N 3.46Å; G313-Q315 VanDerWaalsContact C-N 3.29Å; G313-Q315 PolarHBondContact O-N 2.91Å; Q315-D319 HydrophobicContact CB-CB 4.12Å; Q315-D319 HydrophobicContact CG-CB 4.44Å; Q315-V320 HydrophobicContact CB-CG2 4.03Å
316T93.1Very high90.2Very high17 Ų1762.6 Ų62.610%0.10434%0.344CS..  trans-100.4169.3169.268.70000110.8A309 R310 F318 D319 V320A309-T316 WeakPolarHBondContact O-CA 3.48Å; R310-T316 HydrophobicContact CG-CG2 3.98Å; T316-F318 PolarHBondContact O-N 2.82Å; T316-F318 VanDerWaalsContact O-N 3.16Å; T316-F318 PolarHBondContact OG1-N 3.3Å; T316-D319 WeakPolarHBondContact CB-OD2 3.44Å; T316-D319 PolarHBondContact N-OD2 2.96Å; T316-D319 PolarHBondContact O-N 3.07Å; T316-D319 PolarHBondContact OG1-OD2 3.32Å; T316-V320 WeakPolarHBondContact O-CG2 3.48Å
317P92Very high90.3Very high0 Ų065.6 Ų65.60%036%0.355CS..G310 helixtrans-55.8-31.3174.1-2534.3000113.5L285 A289 M307 A309 V320 A321 L329L285-P317 HydrophobicContact CB-CG 4.41Å; L285-P317 HydrophobicContact CD2-CB 4.15Å; L285-P317 HydrophobicContact CD2-CG 3.83Å; L285-P317 HydrophobicContact CG-CB 4.02Å; L285-P317 HydrophobicContact CG-CG 3.99Å; A289-P317 HydrophobicContact CB-CB 4.14Å; M307-P317 WeakPolarHBondContact O-CD 3.29Å; A309-P317 WeakPolarHBondContact O-CD 3.17Å; P317-V320 PolarHBondContact O-N 3.34Å; P317-A321 WeakPolarHBondContact O-CB 3.2Å; P317-A321 PolarHBondContact O-N 2.92Å; P317-A321 VanDerWaalsContact O-N 3.08Å; P317-L329 HydrophobicContact CB-CD1 4.45Å
318F91.8Very high90.6Very high48 Ų4866.1 Ų66.121%0.21136%0.358CS..G310 helixtrans-68.1-34.7176.2-62-97.7000112.9M307 T316 V320 L329 E330 L333M307-F318 HydrophobicContact CB-CE2 4.1Å; M307-F318 HydrophobicContact CB-CZ 4.48Å; M307-F318 HydrophobicContact CE-CZ 4.36Å; M307-F318 WeakPolarHBondContact O-CE2 3.43Å; T316-F318 PolarHBondContact O-N 2.82Å; T316-F318 VanDerWaalsContact O-N 3.16Å; T316-F318 PolarHBondContact OG1-N 3.3Å; F318-V320 PolarHBondContact O-N 2.89Å; F318-L329 HydrophobicContact CD1-CB 3.85Å; F318-L329 VanDerWaalsContact CE1-C 3.49Å; F318-L329 HydrophobicContact CE1-CB 3.45Å; F318-L329 VanDerWaalsContact CE1-CB 3.45Å; F318-L329 HydrophobicContact CZ-CB 3.91Å; F318-E330 HydrophobicContact CD1-CG 4.38Å; F318-E330 HydrophobicContact CE1-CG 3.97Å; F318-L333 HydrophobicContact CE2-CD2 4.48Å; F318-L333 HydrophobicContact CZ-CB 4.19Å; F318-L333 HydrophobicContact CZ-CD2 3.88Å
319D91Very high90.7Very high103 Ų10359.6 Ų59.655%0.55133%0.327SS*.G310 helixtrans-74.8-6.7178.6-57.9-71.5000112.9Q315 T316Q315-D319 HydrophobicContact CB-CB 4.12Å; Q315-D319 HydrophobicContact CG-CB 4.44Å; T316-D319 WeakPolarHBondContact CB-OD2 3.44Å; T316-D319 PolarHBondContact N-OD2 2.96Å; T316-D319 PolarHBondContact O-N 3.07Å; T316-D319 PolarHBondContact OG1-OD2 3.32Å
320V90.3Very high90.6Very high25 Ų2565.3 Ų65.315%0.15235%0.352CS..THydrogen-bonded Turntrans-119.3-12.4-175.1-1730000111.5W282 H290 Q315 T316 P317 F318W282-V320 HydrophobicContact CH2-CG1 4.08Å; W282-V320 HydrophobicContact CZ2-CG1 4.42Å; H290-V320 HydrophobicContact CB-CG1 3.73Å; Q315-V320 HydrophobicContact CB-CG2 4.03Å; T316-V320 WeakPolarHBondContact O-CG2 3.48Å; P317-V320 PolarHBondContact O-N 3.34Å; F318-V320 PolarHBondContact O-N 2.89Å
321A92.9Very high90.5Very high20 Ų2061.9 Ų61.917%0.16534%0.344CS..SBendtrans-78.3146.6179.300000113.2A289 P317 V325 A326 L329A289-A321 HydrophobicContact CB-CB 4.15Å; P317-A321 WeakPolarHBondContact O-CB 3.2Å; P317-A321 PolarHBondContact O-N 2.92Å; P317-A321 VanDerWaalsContact O-N 3.08Å; A321-V325 HydrophobicContact CB-CB 4.18Å; A321-V325 HydrophobicContact CB-CG1 4.2Å; A321-A326 HydrophobicContact CB-CB 4.25Å; A321-L329 HydrophobicContact CB-CD1 3.88Å
322D88.3Confident90.3Very high108 Ų10862.1 Ų62.158%0.57834%0.344SS*.  trans-66.2158.4162.1-85.8-36.2000111.9S324 V325 A326D322-S324 VanDerWaalsContact C-N 3.29Å; D322-S324 PolarHBondContact O-N 3Å; D322-S324 VanDerWaalsContact O-N 3.12Å; D322-V325 PolarHBondContact O-N 2.92Å; D322-A326 PolarHBondContact O-N 2.87Å
323E87.3Confident90.2Very high178 Ų17858.6 Ų58.683%0.83233%0.325SS*.Hα-helixtrans-50.4-42.2-173.2-64.6-175.5165.100113.6E327E323-E327 PolarHBondContact O-N 3.16Å
324S88.5Confident90.1Very high71 Ų7160.8 Ų60.850%0.49732%0.318SS..Hα-helixtrans-71.5-34.817955.80000113.7D322 L328D322-S324 VanDerWaalsContact C-N 3.29Å; D322-S324 PolarHBondContact O-N 3Å; D322-S324 VanDerWaalsContact O-N 3.12Å; S324-L328 PolarHBondContact O-N 3.32Å
325V90.6Very high89.8Confident2 Ų263.5 Ų63.51%0.01232%0.322CS..Hα-helixtrans-77.8-32177.7-178.90000110.4E294 A321 D322 L328 L329E294-V325 HydrophobicContact CG-CG2 4.09Å; A321-V325 HydrophobicContact CB-CB 4.18Å; A321-V325 HydrophobicContact CB-CG1 4.2Å; D322-V325 PolarHBondContact O-N 2.92Å; V325-L328 PolarHBondContact O-N 3.37Å; V325-L329 HydrophobicContact CG1-CD1 4.03Å; V325-L329 HydrophobicContact CG1-CG 4.12Å; V325-L329 WeakPolarHBondContact O-CB 2.97Å; V325-L329 WeakPolarHBondContact O-CG 3.48Å; V325-L329 PolarHBondContact O-N 3.24Å
326A90.1Very high89.5Confident23 Ų2360 Ų6019%0.1931%0.305CS..Hα-helixtrans-59.4-47.5170.800000111.8A321 D322 L328 L329 E330A321-A326 HydrophobicContact CB-CB 4.25Å; D322-A326 PolarHBondContact O-N 2.87Å; A326-L328 VanDerWaalsContact C-N 3.33Å; A326-L328 PolarHBondContact O-N 3.26Å; A326-L329 PolarHBondContact O-N 3.03Å; A326-E330 PolarHBondContact O-N 2.99Å
327E89.8Confident89Confident152 Ų15260.6 Ų60.671%0.7131%0.312SS*.Hα-helixtrans-57.9-42.7174.2-72.3-172.2174.300112.1E323 E330 E331E323-E327 PolarHBondContact O-N 3.16Å; E327-E330 PolarHBondContact O-N 3.42Å; E327-E331 PolarHBondContact O-N 3.43Å; E327-E331 VanDerWaalsContact O-N 3.12Å
328L90.4Very high88.6Confident13 Ų1364.5 Ų64.57%0.06833%0.333CS..Hα-helixtrans-66.2-40.7176176.664000112.7E294 R298 S324 V325 A326 E330 E331 L332E294-L328 HydrophobicContact CB-CD2 3.52Å; E294-L328 HydrophobicContact CG-CD2 3.59Å; R298-L328 HydrophobicContact CG-CD1 4.27Å; R298-L328 HydrophobicContact CG-CD2 4.21Å; S324-L328 PolarHBondContact O-N 3.32Å; V325-L328 PolarHBondContact O-N 3.37Å; A326-L328 VanDerWaalsContact C-N 3.33Å; A326-L328 PolarHBondContact O-N 3.26Å; L328-E330 VanDerWaalsContact C-N 3.32Å; L328-E330 PolarHBondContact O-N 3.07Å; L328-E331 PolarHBondContact O-N 3.27Å; L328-L332 HydrophobicContact CD1-CD1 4.13Å; L328-L332 HydrophobicContact CD1-CG 4.14Å; L328-L332 HydrophobicContact CD2-CD1 4.46Å; L328-L332 HydrophobicContact CG-CD1 3.89Å; L328-L332 HydrophobicContact CG-CG 4.33Å; L328-L332 WeakPolarHBondContact O-CB 3.46Å; L328-L332 VanDerWaalsContact O-CG 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.06Å; L328-L332 PolarHBondContact O-N 2.89Å
329L89.2Confident88Confident0 Ų070.8 Ų70.80%036%0.356CS..Hα-helixtrans-65.6-35178-71.4170000111.5L285 A289 C297 M307 P317 F318 A321 V325 A326 L332 L333L285-L329 HydrophobicContact CD1-CD2 3.88Å; L285-L329 HydrophobicContact CG-CD2 4.48Å; A289-L329 HydrophobicContact CB-CD1 4.03Å; C297-L329 HydrophobicContact CB-CD2 4.04Å; M307-L329 HydrophobicContact CE-CB 4.29Å; M307-L329 HydrophobicContact CE-CD2 3.6Å; P317-L329 HydrophobicContact CB-CD1 4.45Å; F318-L329 HydrophobicContact CD1-CB 3.85Å; F318-L329 VanDerWaalsContact CE1-C 3.49Å; F318-L329 HydrophobicContact CE1-CB 3.45Å; F318-L329 VanDerWaalsContact CE1-CB 3.45Å; F318-L329 HydrophobicContact CZ-CB 3.91Å; A321-L329 HydrophobicContact CB-CD1 3.88Å; V325-L329 HydrophobicContact CG1-CD1 4.03Å; V325-L329 HydrophobicContact CG1-CG 4.12Å; V325-L329 WeakPolarHBondContact O-CB 2.97Å; V325-L329 WeakPolarHBondContact O-CG 3.48Å; V325-L329 PolarHBondContact O-N 3.24Å; A326-L329 PolarHBondContact O-N 3.03Å; L329-L332 PolarHBondContact O-N 3.5Å; L329-L333 VanDerWaalsContact O-CB 3.3Å; L329-L333 WeakPolarHBondContact O-CB 3.32Å; L329-L333 PolarHBondContact O-N 3.33Å
330E88.8Confident87.5Confident132 Ų13271.4 Ų71.462%0.61735%0.35SS*.Hα-helixtrans-65.1-45.1172.2-74.2-167.5179.700111.3F318 A326 E327 L328 L332 L333 Q334F318-E330 HydrophobicContact CD1-CG 4.38Å; F318-E330 HydrophobicContact CE1-CG 3.97Å; A326-E330 PolarHBondContact O-N 2.99Å; E327-E330 PolarHBondContact O-N 3.42Å; L328-E330 VanDerWaalsContact C-N 3.32Å; L328-E330 PolarHBondContact O-N 3.07Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.26Å; E330-L333 PolarHBondContact O-N 2.97Å; E330-Q334 PolarHBondContact O-N 2.87Å
331E89.5Confident87Confident98 Ų9874.6 Ų74.646%0.45837%0.367SS..Hα-helixtrans-62.1-41.5176.3-157.2-145.6179.100111.6E327 L328 Q334 K335E327-E331 PolarHBondContact O-N 3.43Å; E327-E331 VanDerWaalsContact O-N 3.12Å; L328-E331 PolarHBondContact O-N 3.27Å; E331-Q334 PolarHBondContact O-N 3.48Å; E331-K335 HydrophobicContact CG-CD 4.46Å; E331-K335 WeakPolarHBondContact O-CB 3.49Å; E331-K335 VanDerWaalsContact O-CG 3.25Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 2.88Å; E331-K335 WeakPolarHBondContact OE1-CE 3.47Å; E331-K335 IonicContact OE1-NZ 2.67Å; E331-K335 PolarHBondContact OE1-NZ 2.88Å; E331-K335 IonicContact OE2-NZ 2.76Å; E331-K335 PolarHBondContact OE2-NZ 3.16Å
332L88.2Confident86.2Confident14 Ų1479.2 Ų79.27%0.07339%0.385CS..Hα-helixtrans-67.5-39.2176.7-73172.3000112.6C297 R298 A301 M307 L328 L329 E330 K335 Q336C297-L332 HydrophobicContact CB-CD1 4.24Å; R298-L332 HydrophobicContact CG-CD1 4.06Å; R298-L332 HydrophobicContact CG-CD2 4.24Å; A301-L332 HydrophobicContact CB-CB 4Å; A301-L332 HydrophobicContact CB-CD1 3.97Å; A301-L332 HydrophobicContact CB-CD2 4.02Å; A301-L332 HydrophobicContact CB-CG 4.22Å; M307-L332 HydrophobicContact CE-CB 4.18Å; L328-L332 HydrophobicContact CD1-CD1 4.13Å; L328-L332 HydrophobicContact CD1-CG 4.14Å; L328-L332 HydrophobicContact CD2-CD1 4.46Å; L328-L332 HydrophobicContact CG-CD1 3.89Å; L328-L332 HydrophobicContact CG-CG 4.33Å; L328-L332 WeakPolarHBondContact O-CB 3.46Å; L328-L332 VanDerWaalsContact O-CG 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.06Å; L328-L332 PolarHBondContact O-N 2.89Å; L329-L332 PolarHBondContact O-N 3.5Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.26Å; L332-K335 HydrophobicContact CD2-CD 4.28Å; L332-K335 WeakPolarHBondContact O-CB 3.2Å; L332-K335 PolarHBondContact O-N 3.31Å; L332-Q336 WeakPolarHBondContact O-CG 3.45Å; L332-Q336 PolarHBondContact O-N 2.87Å
333L89.3Confident85.6Confident52 Ų5281.9 Ų81.927%0.27239%0.387SS..Hα-helixtrans-63.1-44.9173.6176.359.5000111.1M307 F318 L329 E330 Q336 A337M307-L333 HydrophobicContact CB-CD1 4.05Å; M307-L333 HydrophobicContact CG-CD1 4.05Å; F318-L333 HydrophobicContact CE2-CD2 4.48Å; F318-L333 HydrophobicContact CZ-CB 4.19Å; F318-L333 HydrophobicContact CZ-CD2 3.88Å; L329-L333 VanDerWaalsContact O-CB 3.3Å; L329-L333 WeakPolarHBondContact O-CB 3.32Å; L329-L333 PolarHBondContact O-N 3.33Å; E330-L333 PolarHBondContact O-N 2.97Å; L333-Q336 PolarHBondContact O-N 3.24Å; L333-A337 WeakPolarHBondContact O-CB 3.26Å; L333-A337 PolarHBondContact O-N 3.06Å
334Q86.8Confident85Confident109 Ų10975 Ų7551%0.50936%0.358SS..Hα-helixtrans-65.6-37.5175.4-17359.963.500111.8E330 E331 A337 N338E330-Q334 PolarHBondContact O-N 2.87Å; E331-Q334 PolarHBondContact O-N 3.48Å; Q334-A337 PolarHBondContact O-N 3.17Å; Q334-N338 PolarHBondContact NE2-OD1 3.5Å; Q334-N338 WeakPolarHBondContact O-CB 3.3Å; Q334-N338 PolarHBondContact O-N 2.83Å; Q334-N338 PolarHBondContact O-ND2 3.17Å; Q334-N338 PolarHBondContact O-OD1 2.94Å
335K85.8Confident84.5Confident86 Ų8675.7 Ų75.737%0.37436%0.355SS..Hα-helixtrans-61-47.5171.4-78.4165.6175.3169.60111.6E331 L332 A337 N338 W339E331-K335 HydrophobicContact CG-CD 4.46Å; E331-K335 WeakPolarHBondContact O-CB 3.49Å; E331-K335 VanDerWaalsContact O-CG 3.25Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 2.88Å; E331-K335 WeakPolarHBondContact OE1-CE 3.47Å; E331-K335 IonicContact OE1-NZ 2.67Å; E331-K335 PolarHBondContact OE1-NZ 2.88Å; E331-K335 IonicContact OE2-NZ 2.76Å; E331-K335 PolarHBondContact OE2-NZ 3.16Å; L332-K335 HydrophobicContact CD2-CD 4.28Å; L332-K335 WeakPolarHBondContact O-CB 3.2Å; L332-K335 PolarHBondContact O-N 3.31Å; K335-A337 VanDerWaalsContact C-N 3.34Å; K335-A337 PolarHBondContact O-N 3.07Å; K335-N338 PolarHBondContact O-N 3.16Å; K335-W339 PolarHBondContact O-N 3.47Å
336Q85.7Confident83.4Confident8 Ų878 Ų784%0.03737%0.372CS..Hα-helixtrans-60.8-41.9174.9-72.9-168.5-3.800112A301 L304 C305 L332 L333 W339 R340A301-Q336 PolarHBondContact O-NE2 3.43Å; L304-Q336 HydrophobicContact CD2-CG 4.25Å; C305-Q336 PolarHBondContact O-NE2 3.11Å; L332-Q336 WeakPolarHBondContact O-CG 3.45Å; L332-Q336 PolarHBondContact O-N 2.87Å; L333-Q336 PolarHBondContact O-N 3.24Å; Q336-W339 PolarHBondContact O-N 3.28Å; Q336-R340 VanDerWaalsContact O-CG 3.29Å; Q336-R340 WeakPolarHBondContact O-CG 3.49Å; Q336-R340 PolarHBondContact O-N 3.34Å; Q336-R340 VanDerWaalsContact OE1-CZ 3.29Å
337A82.8Confident82.6Confident31 Ų3181.9 Ų81.926%0.25639%0.386SS..Hα-helixtrans-63.1-41.5176.900000111.7L333 Q334 K335 R340 N341L333-A337 WeakPolarHBondContact O-CB 3.26Å; L333-A337 PolarHBondContact O-N 3.06Å; Q334-A337 PolarHBondContact O-N 3.17Å; K335-A337 VanDerWaalsContact C-N 3.34Å; K335-A337 PolarHBondContact O-N 3.07Å; A337-R340 PolarHBondContact O-N 2.79Å; A337-N341 WeakPolarHBondContact O-CB 3.17Å; A337-N341 PolarHBondContact O-N 2.99Å; A337-N341 PolarHBondContact O-ND2 3.22Å; A337-N341 VanDerWaalsContact O-ND2 3.09Å
338N84Confident81.6Confident81 Ų8182.8 Ų82.843%0.43338%0.383SS..Hα-helixtrans-62.5-47.2174.3-69.4-11.4000111.3Q334 K335 R340 N341 E342Q334-N338 PolarHBondContact NE2-OD1 3.5Å; Q334-N338 WeakPolarHBondContact O-CB 3.3Å; Q334-N338 PolarHBondContact O-N 2.83Å; Q334-N338 PolarHBondContact O-ND2 3.17Å; Q334-N338 PolarHBondContact O-OD1 2.94Å; K335-N338 PolarHBondContact O-N 3.16Å; N338-R340 PolarHBondContact O-N 2.94Å; N338-N341 WeakPolarHBondContact O-CB 3.46Å; N338-N341 PolarHBondContact O-N 3.18Å; N338-E342 WeakPolarHBondContact O-CB 3.22Å; N338-E342 PolarHBondContact O-N 2.92Å
339W79.9Confident80.4Confident181 Ų18189.2 Ų89.269%0.68641%0.413SS*.Hα-helixtrans-58.1-44.2175-93.2103.7000113.1K335 Q336 R343K335-W339 PolarHBondContact O-N 3.47Å; Q336-W339 PolarHBondContact O-N 3.28Å; W339-R343 VanDerWaalsContact O-CB 3.23Å; W339-R343 WeakPolarHBondContact O-CB 3.41Å; W339-R343 PolarHBondContact O-N 2.94Å
340R78.8Confident79.1Confident115 Ų11595.7 Ų95.743%0.43445%0.447SS..Hα-helixtrans-61.8-43.3175.4-71.5170-176.4124.47.7111.1Q336 A337 N338 S344Q336-R340 VanDerWaalsContact O-CG 3.29Å; Q336-R340 WeakPolarHBondContact O-CG 3.49Å; Q336-R340 PolarHBondContact O-N 3.34Å; Q336-R340 VanDerWaalsContact OE1-CZ 3.29Å; A337-R340 PolarHBondContact O-N 2.79Å; N338-R340 PolarHBondContact O-N 2.94Å; R340-S344 WeakPolarHBondContact O-CB 3.45Å; R340-S344 PolarHBondContact O-N 3.24Å; R340-S344 VanDerWaalsContact O-N 3.14Å
341N80.9Confident77.3Confident93 Ų9396.1 Ų96.150%0.49745%0.449SS..Hα-helixtrans-65.2-50.4176.8-77.5-39.3000112.2A337 N338 S344 I345A337-N341 WeakPolarHBondContact O-CB 3.17Å; A337-N341 PolarHBondContact O-N 2.99Å; A337-N341 PolarHBondContact O-ND2 3.22Å; A337-N341 VanDerWaalsContact O-ND2 3.09Å; N338-N341 WeakPolarHBondContact O-CB 3.46Å; N338-N341 PolarHBondContact O-N 3.18Å; N341-S344 WeakPolarHBondContact O-CB 3.28Å; N341-S344 PolarHBondContact O-N 3.39Å; N341-S344 VanDerWaalsContact O-N 3.13Å; N341-S344 PolarHBondContact O-OG 3.28Å; N341-I345 WeakPolarHBondContact O-CG1 3.4Å; N341-I345 PolarHBondContact O-N 3.48Å
342E76.1Confident75.3Confident117 Ų11797.3 Ų97.355%0.54747%0.466SS..Hα-helixtrans-61.5-45.5-179.7-178.3168.6-160.100111.8N338 S344 I345 S346N338-E342 WeakPolarHBondContact O-CB 3.22Å; N338-E342 PolarHBondContact O-N 2.92Å; E342-S344 VanDerWaalsContact C-N 3.28Å; E342-S344 PolarHBondContact O-N 3.33Å; E342-I345 WeakPolarHBondContact O-CA 3.4Å; E342-I345 WeakPolarHBondContact O-CB 3.25Å; E342-I345 PolarHBondContact O-N 2.85Å; E342-S346 PolarHBondContact O-N 3.22Å; E342-S346 PolarHBondContact O-OG 3.44Å
343R76.1Confident73.5Confident163 Ų16399.5 Ų99.562%0.61549%0.491SS*.Hα-helixtrans-55.6-44.4172.5-178.7173.3177.7157.81.5111.6W339 I345 S346 E347W339-R343 VanDerWaalsContact O-CB 3.23Å; W339-R343 WeakPolarHBondContact O-CB 3.41Å; W339-R343 PolarHBondContact O-N 2.94Å; R343-I345 PolarHBondContact O-N 2.67Å; R343-S346 PolarHBondContact O-N 2.86Å; R343-E347 HydrophobicContact CG-CG 4.42Å; R343-E347 WeakPolarHBondContact CG-OE1 3.35Å; R343-E347 IonicContact CZ-OE1 2.88Å; R343-E347 IonicContact NE-OE1 3.46Å; R343-E347 PolarHBondContact NE-OE1 3.34Å; R343-E347 IonicContact NH2-OE1 2.75Å; R343-E347 WeakPolarHBondContact O-CB 3.32Å; R343-E347 WeakPolarHBondContact O-CG 3.45Å; R343-E347 PolarHBondContact O-N 3.31Å
344S74.4Confident71.4Confident34 Ų34103.2 Ų103.224%0.23852%0.518CS..Hα-helixtrans-67-22176.886.70000113.9R340 N341 E342 R348R340-S344 WeakPolarHBondContact O-CB 3.45Å; R340-S344 PolarHBondContact O-N 3.24Å; R340-S344 VanDerWaalsContact O-N 3.14Å; N341-S344 WeakPolarHBondContact O-CB 3.28Å; N341-S344 PolarHBondContact O-N 3.39Å; N341-S344 VanDerWaalsContact O-N 3.13Å; N341-S344 PolarHBondContact O-OG 3.28Å; E342-S344 VanDerWaalsContact C-N 3.28Å; E342-S344 PolarHBondContact O-N 3.33Å; S344-R348 WeakPolarHBondContact O-CB 3.46Å; S344-R348 WeakPolarHBondContact O-CG 3.3Å; S344-R348 PolarHBondContact O-N 2.87Å; S344-R348 PolarHBondContact O-NE 3.4Å; S344-R348 PolarHBondContact OG-NH2 3.32Å
345I76.8Confident69.2Low85 Ų85105.4 Ų105.444%0.43653%0.534SS..Hα-helixtrans-81.1-46.2174.8-68.8162.7000109.3N341 E342 R343 R348 Q349N341-I345 WeakPolarHBondContact O-CG1 3.4Å; N341-I345 PolarHBondContact O-N 3.48Å; E342-I345 WeakPolarHBondContact O-CA 3.4Å; E342-I345 WeakPolarHBondContact O-CB 3.25Å; E342-I345 PolarHBondContact O-N 2.85Å; R343-I345 PolarHBondContact O-N 2.67Å; I345-R348 CarbonylContact O-C 3.51Å; I345-R348 WeakPolarHBondContact O-CA 3.43Å; I345-R348 WeakPolarHBondContact O-CB 3.46Å; I345-R348 PolarHBondContact O-N 3Å; I345-R348 VanDerWaalsContact O-N 3.07Å; I345-Q349 WeakPolarHBondContact O-CG 3.2Å; I345-Q349 PolarHBondContact O-N 3.22Å
346S69Low67.1Low51 Ų51106.5 Ų106.536%0.35756%0.558SS.*Hα-helixtrans-61.5-41.8175.3-67.30000112.5E342 R343 R348 Q349 N350E342-S346 PolarHBondContact O-N 3.22Å; E342-S346 PolarHBondContact O-OG 3.44Å; R343-S346 PolarHBondContact O-N 2.86Å; S346-R348 VanDerWaalsContact C-N 3.29Å; S346-R348 PolarHBondContact O-N 3.34Å; S346-Q349 PolarHBondContact O-N 2.99Å; S346-N350 WeakPolarHBondContact O-CB 3.39Å; S346-N350 PolarHBondContact O-N 3.34Å; S346-N350 PolarHBondContact O-ND2 3.12Å
347E71.8Confident65Low105 Ų105110 Ų11049%0.49159%0.589SS.*Hα-helixtrans-64.2-32.8172.3-73.4174.9-168.600112R343 Q351R343-E347 HydrophobicContact CG-CG 4.42Å; R343-E347 WeakPolarHBondContact CG-OE1 3.35Å; R343-E347 IonicContact CZ-OE1 2.88Å; R343-E347 IonicContact NE-OE1 3.46Å; R343-E347 PolarHBondContact NE-OE1 3.34Å; R343-E347 IonicContact NH2-OE1 2.75Å; R343-E347 WeakPolarHBondContact O-CB 3.32Å; R343-E347 WeakPolarHBondContact O-CG 3.45Å; R343-E347 PolarHBondContact O-N 3.31Å; E347-Q351 PolarHBondContact O-N 3.39Å
348R70.4Confident63Low170 Ų170115.7 Ų115.764%0.64262%0.615SS**Hα-helixtrans-75.3-28.8173.5-82.7-180-86.2-160.5-4.4113.7S344 I345 S346S344-R348 WeakPolarHBondContact O-CB 3.46Å; S344-R348 WeakPolarHBondContact O-CG 3.3Å; S344-R348 PolarHBondContact O-N 2.87Å; S344-R348 PolarHBondContact O-NE 3.4Å; S344-R348 PolarHBondContact OG-NH2 3.32Å; I345-R348 CarbonylContact O-C 3.51Å; I345-R348 WeakPolarHBondContact O-CA 3.43Å; I345-R348 WeakPolarHBondContact O-CB 3.46Å; I345-R348 PolarHBondContact O-N 3Å; I345-R348 VanDerWaalsContact O-N 3.07Å; S346-R348 VanDerWaalsContact C-N 3.29Å; S346-R348 PolarHBondContact O-N 3.34Å
349Q65.1Low60.9Low149 Ų149116.6 Ų116.670%0.69663%0.634SS**Hα-helixtrans-77.8-34.1173-70.1-175.317.700112.3I345 S346 Q351I345-Q349 WeakPolarHBondContact O-CG 3.2Å; I345-Q349 PolarHBondContact O-N 3.22Å; S346-Q349 PolarHBondContact O-N 2.99Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å
350N60.3Low59.2Low136 Ų136116.9 Ų116.973%0.72764%0.643SS**SBendtrans-82.9-3.1179.7-74.2-32.6000114.4S346 P352S346-N350 WeakPolarHBondContact O-CB 3.39Å; S346-N350 PolarHBondContact O-N 3.34Å; S346-N350 PolarHBondContact O-ND2 3.12Å; N350-P352 WeakPolarHBondContact O-CD 3.21Å
351Q51.4Low57.3Low141 Ų141114.9 Ų114.966%0.65966%0.658SS**SBendtrans-68.4121.2167.1-81.7-176.834.100110.1E347 Q349 G353E347-Q351 PolarHBondContact O-N 3.39Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å; Q351-G353 PolarHBondContact O-N 2.77Å; Q351-G353 VanDerWaalsContact O-N 3.11Å
352P48.8Very low55.5Low123 Ų123120.3 Ų120.380%0.79968%0.677SS**PPolyproline II helixtrans-64.8117.117626.5-33000109.4N350N350-P352 WeakPolarHBondContact O-CD 3.21Å
353G48.3Very low53.7Low59 Ų59126.7 Ų126.761%0.60870%0.696SS**PPolyproline II helixtrans-53.7141.3-177.700000112.1Q351 N355Q351-G353 PolarHBondContact O-N 2.77Å; Q351-G353 VanDerWaalsContact O-N 3.11Å; G353-N355 PolarHBondContact O-N 3.37Å
354P46.4Very low51.9Low130 Ų130130.8 Ų130.884%0.84471%0.712SS**PPolyproline II helixtrans-58.9125.2-172.323.6-33.9000110.8A356P354-A356 PolarHBondContact O-N 2.98Å
355N40.4Very low50.3Low156 Ų156141 Ų14183%0.83475%0.745SS**  trans-44.9126.2-173.1-93.2-48.2000112.5G353 A357G353-N355 PolarHBondContact O-N 3.37Å; N355-A357 HydrophobicContact CB-CB 4.35Å; N355-A357 PolarHBondContact O-N 3.4Å
356A41.4Very low48.6Very low108 Ų108143.2 Ų143.289%0.89376%0.763SS**SBendtrans-73.758.4-178.400000112.5P354P354-A356 PolarHBondContact O-N 2.98Å
357A40.8Very low47.1Very low83 Ų83145.6 Ų145.669%0.68678%0.779SS**  trans-125.119.7-163.900000114.4N355N355-A357 HydrophobicContact CB-CB 4.35Å; N355-A357 PolarHBondContact O-N 3.4Å
358N41.4Very low45.2Very low150 Ų150146.1 Ų146.180%0.80279%0.789SS**  trans-147.762.3166.2-152.3-13000114.6Q360N358-Q360 PolarHBondContact O-N 3.45Å
359A41.3Very low43.6Very low99 Ų99144.1 Ų144.182%0.81880%0.8SS**  trans-93.129.3-176.500000115.1
360Q44Very low42.5Very low188 Ų188147.8 Ų147.888%0.87981%0.808SS**  trans-129.779.5175.6-67.2-155.71400113.6N358N358-Q360 PolarHBondContact O-N 3.45Å
361G38.6Very low41.2Very low73 Ų73148.5 Ų148.575%0.75381%0.808SS**  trans-150.339.2178.400000114.2R363G361-R363 PolarHBondContact O-N 2.89Å; G361-R363 VanDerWaalsContact O-N 3.13Å
362K42.8Very low40.5Very low207 Ų207147.6 Ų147.690%0.982%0.818SS**  trans-61.7112.3-171.3-70.8177.9179.8171.70113.3
363R37.1Very low40.5Very low250 Ų250147.3 Ų147.394%0.94382%0.819SS**  trans-120.2157.2147.3-77-165.9168.8-119.5-4.1110.8G361G361-R363 PolarHBondContact O-N 2.89Å; G361-R363 VanDerWaalsContact O-N 3.13Å
364R39Very low40.2Very low250 Ų250155.2 Ų155.294%0.94383%0.83SS**  trans-87.1156-159.6-78.5-177.2168.3-167.5-2.9114
365R41.3Very low40Very low247 Ų247156.5 Ų156.593%0.93283%0.83SS**  trans-76.9117.9-175.7-179.3-170.8-165.3176.15.8113.6
366T41.7Very low39.9Very low132 Ų132157.3 Ų157.381%0.8183%0.826SS**  trans-153.4140.9157.844.10000107.1
367S37Very low39.9Very low101 Ų101160.2 Ų160.271%0.70683%0.825SS**  cis-164.8141.8-2.7470000110.7
368V31.1Very low39.5Very low116 Ų116163.6 Ų163.670%0.70383%0.831SS**  trans40.497.9153.4-171.40000117.4R370V368-R370 HydrophobicContact CG1-CG 4.35Å; V368-R370 PolarHBondContact O-N 3.12Å
369C36.4Very low39Very low129 Ų129162.8 Ų162.887%0.87283%0.832SS**PPolyproline II helixtrans-67.5119.7151.1-60.80000108.5M371C369-M371 PolarHBondContact O-N 3.28Å
370R43.7Very low38.6Very low225 Ų225166.7 Ų166.785%0.84983%0.833SS**PPolyproline II helixtrans-77.7116.5167.1-75.8179.9166.684.2-5.1107.9V368V368-R370 HydrophobicContact CG1-CG 4.35Å; V368-R370 PolarHBondContact O-N 3.12Å
371M31.6Very low38.2Very low151 Ų151163.7 Ų163.774%0.74482%0.823SS**PPolyproline II helixtrans-69.8139.1167.5-55.8-172.6-51.200108.7C369C369-M371 PolarHBondContact O-N 3.28Å
372S37.9Very low38Very low123 Ų123168.9 Ų168.986%0.8683%0.832SS**PPolyproline II helixtrans-65.2147.3171.9-1670000110.3
373S48.8Very low37.5Very low116 Ų116163.1 Ų163.181%0.81182%0.818SS**SBendtrans-98.6100.9-171.3550000112.2
374R41.3Very low37.3Very low225 Ų225160.5 Ų160.585%0.84981%0.814SS**SBendtrans-140.8-40.4159.4-153163.517993-2.5113.3K376R374-K376 PolarHBondContact O-N 3.45Å
375D42.9Very low36.9Very low157 Ų157155.6 Ų155.684%0.8480%0.802SS**SBendtrans-95.959.5-171.5-48.2-70.7000114
376K38.3Very low36.4Very low173 Ų173155 Ų15575%0.75280%0.799SS**  trans-141.359.7177.8-86.6-157.5172-169.50115.7R374R374-K376 PolarHBondContact O-N 3.45Å
377I41.4Very low35.8Very low170 Ų170152 Ų15287%0.87280%0.795SS**  trans-161.8133.8148.230.9174.2000104.5
378N31.6Very low35.3Very low154 Ų154154 Ų15482%0.82480%0.803SS**  cis-149.5-169.141-172.812.1000110.7
379V31.2Very low35.4Very low133 Ų133154.5 Ų154.581%0.80681%0.811SS**  trans98.291.4175-173.30000115.7
380Q33.2Very low35Very low180 Ų180152.2 Ų152.284%0.84181%0.809SS**  trans-153.3102.1140.6-104.5166.76.400105.6
381D34.5Very low34.1Very low126 Ų126145 Ų14567%0.67481%0.805SS**  66.294.293.6-166.5-3.8000112.1S383D381-S383 PolarHBondContact OD1-OG 3.45Å
382L34.7Very low34Very low181 Ų181144.1 Ų144.195%0.94881%0.808SS**  trans-115.184.2174.3-77174.6000109
383S32.1Very low33.5Very low87 Ų87144.6 Ų144.661%0.60880%0.801SS**  trans-126.7117.4177.655.50000113D381D381-S383 PolarHBondContact OD1-OG 3.45Å
384K33.5Very low32.4Very low195 Ų195146 Ų14685%0.84880%0.796SS**  trans89.7121.2156.9-69.6179.2177.9174.90122.6
385E31.1Very low31.7Very low147 Ų147139.3 Ų139.369%0.68778%0.784SS**  trans91.7119.6134-69.9-74.9132.600122.6
386R29.8Very low31.1Very low234 Ų234140.1 Ų140.188%0.88378%0.783SS**  trans64.9135.6148.8-72.4164.7175.2-117-7.7120.8
387G29.2Very low30.7Very low69 Ų69138.6 Ų138.671%0.71178%0.778SS**  cis160.8-176.6-7.900000115.3
388V26.3Very low30.1Very low144 Ų144137.2 Ų137.287%0.87377%0.766SS**  trans80.489.5168.4-167.80000118.6
389S33.2Very low29.8Very low126 Ų126137.1 Ų137.188%0.88176%0.76SS**  159.7143.7125.749.70000111
390G28Very low29.5Very low81 Ų81135.1 Ų135.184%0.83575%0.752SS**  cis168.492.7-1100000114.2
391G25.4Very low29.2Very low74 Ų74131.4 Ų131.476%0.76375%0.746SS**  trans99.4160.3173.500000115.4
392V29.8Very low28.7Very low131 Ų131131.8 Ų131.879%0.79475%0.753SS**  cis-150149.9-2-1730000110
393D27.3Very low28.3Very low134 Ų134131.3 Ų131.372%0.71775%0.746SS**  trans62.3120.2159.1-82.5-146.9000126
394M26.3Very low28.1Very low145 Ų145131.8 Ų131.871%0.71475%0.749SS**  69.1106122-59.2-62.598.800123.5
395S26.2Very low27.8Very low84 Ų84128.3 Ų128.359%0.58775%0.75SS**  78.8110.7111-56.40000123.6
396E30.4Very low27.6Very low175 Ų175125.6 Ų125.682%0.81875%0.752SS**  89143.8117.5-71.8-177.2153.500123.5
397E29.2Very low27.5Very low141 Ų141120.9 Ų120.966%0.65975%0.749SS**  trans69.699.6154.6-58.9-120.4124.100121.8
398K28.9Very low27.5Very low140 Ų140123 Ų12361%0.60975%0.754SS**  90.3134.1111.4-80.3-177.4174.4138.20123.7
399E25.1Very low27.8Very low152 Ų152121.6 Ų121.671%0.7175%0.75SS**  trans66113.5132.7-66.1179.4-12800122.2
400S24.5Very low28.3Very low91 Ų91121.2 Ų121.264%0.63675%0.745SS**  64.4115.812873.80000121.9
401S27Very low28.2Very low102 Ų102124.2 Ų124.271%0.71374%0.741SS**  74.5149.1121.7-58.40000121.1
402T24.5Very low28.4Very low134 Ų134127 Ų12782%0.82274%0.743SS**  trans66.1155.7164.742.10000115.1
403E26.4Very low28.3Very low172 Ų172129.5 Ų129.580%0.80475%0.747SS**  cis-149.215612.650.8-144.8118.700115.3
404S27.7Very low28.3Very low96 Ų96128.4 Ų128.467%0.67175%0.749SS**  trans32115.8150.461.60000124.3
405S27.5Very low28.4Very low122 Ų122127.8 Ų127.885%0.85375%0.754SS**  40.7117.1114.2-50.10000123.1
406A27.6Very low28.5Very low90 Ų90129.8 Ų129.874%0.74476%0.762SS**  trans-158.895.214800000110.7
407V27.4Very low28.2Very low135 Ų135127.3 Ų127.382%0.81876%0.759SS**  65.3138.199.7-57.10000119.1
408S27.7Very low28.1Very low115 Ų115125.3 Ų125.380%0.80476%0.761SS**  trans82.4112.8154.8-55.30000121.5
409S33.1Very low27.8Very low113 Ų113124.4 Ų124.479%0.7977%0.768SS**  trans-72.3166.1140.8-38.80000110.1
410P44.4Very low27.9Very low119 Ų119123.1 Ų123.177%0.77377%0.769SS**  -149.3-166.179.841.2-21.7000114.9
411D26Very low28.1Very low143 Ų143124.1 Ų124.177%0.76578%0.777SS**  trans-67.3156.5-173.4-42.3-100000115.9
412T30.1Very low28.7Very low132 Ų132124.6 Ų124.681%0.8178%0.777SS**  175.7135.710829.40000115.1
413E27.2Very low28.7Very low184 Ų184122.4 Ų122.486%0.8677%0.773SS**  trans38.1163.5140.1-58.1-158.3151.600125.9
414S28Very low28.7Very low111 Ų111122.7 Ų122.778%0.77677%0.774SS**  trans78.9111.6167.572.90000116.7
415V27.5Very low28.6Very low133 Ų133127.3 Ų127.381%0.80678%0.782SS**  91105.651.7168.70000112.9
416T27.6Very low29.3Very low125 Ų125126.3 Ų126.377%0.76777%0.773SS**  -178.7138125.4230000113.1
417T25.5Very low29.3Very low123 Ų123126.9 Ų126.976%0.75577%0.767SS**  trans24.3143.7139.663.90000121.3
418S26.1Very low29.3Very low99 Ų99128.7 Ų128.769%0.69277%0.767SS**  cis-170.8170.26.2-119.90000113.5
419T22.5Very low29.4Very low122 Ų122129.8 Ų129.875%0.74876%0.759SS**  trans5.9139.4141.830000118
420V26.7Very low29.2Very low124 Ų124131.3 Ų131.375%0.75275%0.752SS**  -159.4143.263.5165.70000112.9
421S29.9Very low28.3Very low113 Ų113131 Ų13179%0.7974%0.744SS**  trans-111148.5151.3-51.90000108.4
422P38.3Very low28.3Very low111 Ų111131.1 Ų131.172%0.72174%0.74SS**  -154.6139102.137.3-18.5000118.1
423A25.5Very low28.2Very low89 Ų89133.4 Ų133.474%0.73674%0.741SS**  53160.9121.900000125.4
424E26.4Very low28.2Very low178 Ų178133.6 Ų133.683%0.83274%0.742SS**  trans82.2116.5163.1-48.9-153.8150.800116.7
425K26.1Very low28.1Very low192 Ų192137.5 Ų137.584%0.83575%0.748SS**  96.1157.850-94.5-169.7173.9-174.50112.4
426P42.2Very low28Very low102 Ų102140 Ų14066%0.66275%0.751SS**  cis-136.1-153.8-6.636.7-14.2000114.1
427T26.6Very low28.1Very low102 Ų102143.8 Ų143.863%0.62676%0.757SS**  trans69.8113.9156.646.30000118.1
428E28Very low28.3Very low172 Ų172147.2 Ų147.280%0.80476%0.764SS**  87.6143.671.6-78.1163.8-149.500112.4
429E29.2Very low28.7Very low139 Ų139151.9 Ų151.965%0.6578%0.775SS**  cis-155.7161.314.2-136.8-163.1178.400113.6
430K29.3Very low29.2Very low144 Ų144155 Ų15563%0.62678%0.781SS**  trans70.8130148.4-80.7-167.2177.372.30125.3
431N25.7Very low29.5Very low113 Ų113159 Ų15960%0.60479%0.788SS**  trans74.4146.4138.1-7357.9000121.9
432E26.6Very low29.7Very low146 Ų146162.9 Ų162.968%0.68279%0.794SS**  cis-178.4161.3-35.7-115.8159.7-166.100108.1
433E26.4Very low29.6Very low180 Ų180167 Ų16784%0.84180%0.803SS**  trans66.5143169.7-63.2164.7-177.600116.1
434E27.5Very low29.9Very low188 Ų188169.4 Ų169.488%0.87980%0.804SS**  cis-133.8110.52-61.6177.7109.500110.7
435E27.4Very low30.4Very low192 Ų192170.4 Ų170.490%0.89781%0.806SS**  trans-159.874.4163.2-156.2166.8-130.100112.9
436Q25.5Very low30.8Very low187 Ų187166.5 Ų166.587%0.87481%0.809SS**  trans-167.297.3167.7-122.4154.677.900111.6
437K28.1Very low30.3Very low203 Ų203166 Ų16688%0.88381%0.808SS**  trans-159.940.9173.1-137.7176.7-170.7174.50117.8
438E30.8Very low30.5Very low195 Ų195172.9 Ų172.991%0.91182%0.823SS**SBendtrans-15429.7160.4-123.1157.7-142.800116.4
439E34.7Very low30.6Very low197 Ų197171.2 Ų171.292%0.92182%0.824SS**  trans-106.147.4170.1-70.9-163.4139.400113.1
440E32.6Very low30.5Very low189 Ų189169.7 Ų169.788%0.88384%0.835SS**  trans-144.559.6173.4-155.3175.3-133.800112.7
441K33.5Very low30.4Very low207 Ų207173.9 Ų173.990%0.985%0.847SS**SBendtrans-150.211.9171.7-128169.8-170.8172.40118.5
442E33.5Very low30.5Very low195 Ų195174.9 Ų174.991%0.91186%0.858SS**SBendtrans-118.840.9176.6-152.5170.9-144.400113.9
443Q35.2Very low30.6Very low196 Ų196176 Ų17692%0.91686%0.862SS**SBendtrans-127.541166.4-69.4-162.718.200113.4
444D33.5Very low30.8Very low141 Ų141173.5 Ų173.575%0.75486%0.862SS**SBendtrans-153.671.1161.5-141.8-9.1000114.8
445K36.9Very low31Very low199 Ų199171.1 Ų171.187%0.86586%0.86SS**  trans-159.29163.1-112.3155-167.9177.20116.7S447K445-S447 PolarHBondContact O-N 3.49Å
446A34.4Very low31.4Very low109 Ų109167.3 Ų167.390%0.90185%0.853SS**  trans-83.643.3178.100000113.4
447S30.6Very low31.5Very low92 Ų92167.9 Ų167.964%0.64386%0.855SS**  trans-136.538.4-16454.40000115K445K445-S447 PolarHBondContact O-N 3.49Å
448R30.9Very low31.5Very low246 Ų246165.1 Ų165.193%0.92886%0.855SS**  trans-152.545.4175.6-119162.4-170.6175.41.6117.7
449T29.8Very low31.4Very low137 Ų137166.9 Ų166.984%0.8485%0.854SS**  trans-96.488.317242.20000112.7R451T449-R451 VanDerWaalsContact C-N 3.26Å; T449-R451 PolarHBondContact O-N 2.99Å
450A27.6Very low31Very low107 Ų107166.7 Ų166.788%0.88485%0.853SS**  trans-78.259.4-179.300000113.9
451R26.9Very low30.7Very low232 Ų232162.2 Ų162.288%0.87585%0.848SS**  trans-88.7112.8175.5-171171.7-176156.22.8111.4T449T449-R451 VanDerWaalsContact C-N 3.26Å; T449-R451 PolarHBondContact O-N 2.99Å
452V27.8Very low30.5Very low135 Ų135157.2 Ų157.282%0.81885%0.845SS**PPolyproline II helixtrans-63.4133.3177.7178.90000111.2
453Q28.8Very low30.3Very low168 Ų168152.4 Ų152.479%0.78584%0.839SS**PPolyproline II helixtrans-95.5147.3168.8-64.1-170.220.700111.1
454P31.8Very low29.9Very low128 Ų128152.4 Ų152.483%0.83184%0.839SS**PPolyproline II helixtrans-75.1132173.530.9-33.6000111.7
455T30.9Very low29.7Very low138 Ų138151.1 Ų151.185%0.84784%0.841SS**PPolyproline II helixtrans-79.5160.1174.526.90000112.8
456P35.8Very low30.2Very low113 Ų113147.2 Ų147.273%0.73484%0.836SS**PPolyproline II helixtrans-95.3165.8-152.236.7-37.7000115.8
457Q28.6Very low29.8Very low198 Ų198148.1 Ų148.193%0.92584%0.836SS**PPolyproline II helixtrans-73.4135.7170.4-65.2178.3-9.600111.5
458T26.7Very low29.6Very low145 Ų145148.3 Ų148.389%0.8984%0.843SS**  trans-105.7153.7170.1-52.60000109.5
459R29.8Very low30.2Very low232 Ų232141.3 Ų141.388%0.87583%0.829SS**  trans-130.4135-162.5-179.5-169.7-170.3-170.44.6112.2
460E25.8Very low30.1Very low194 Ų194142.2 Ų142.291%0.90783%0.829SS**  trans176.5160.1143.8-100.9169.8-149.600108.9
461A26Very low30.2Very low95 Ų95141.6 Ų141.679%0.78582%0.824SS**  cis-139.1-177.715.700000114.7
462A28.5Very low30.5Very low101 Ų101137.8 Ų137.884%0.83582%0.821SS**  trans-51.5154-16800000121.4
463A29.4Very low30.8Very low95 Ų95141 Ų14179%0.78582%0.824SS**  trans-161.1117136.700000113.4
464E28Very low31.3Very low195 Ų195142.9 Ų142.991%0.91183%0.829SS**  trans51.5-176.7152.3-56-166.7140.300121.9
465S29.5Very low31.4Very low114 Ų114142.6 Ų142.680%0.79783%0.828SS**  trans-158.7-169-160.9-50.10000110.2
466P47.5Very low31.4Very low118 Ų118145.4 Ų145.477%0.76683%0.828SS**  cis-133.4167.5-15.240.3-24.6000115.4
467S25.6Very low31.2Very low128 Ų128149.4 Ų149.490%0.89584%0.837SS**  trans174.9161.7140.1410000113
468A25.9Very low31.3Very low95 Ų95149.8 Ų149.879%0.78584%0.836SS**  trans-154.9-173.2-174.100000109.2
469P43.3Very low31.6Very low99 Ų99151.9 Ų151.964%0.64384%0.836SS**  cis-141.5-173.30.544.6-26.3000116.8
470N28.4Very low31.6Very low157 Ų157144.9 Ų144.984%0.8483%0.828SS**  trans71155158.2-61.7-15.3000118.4
471A30.1Very low32.2Very low93 Ų93139.9 Ų139.977%0.76982%0.82SS**  cis-146.91735.800000113.3
472D31.7Very low33.2Very low152 Ų152143.1 Ų143.181%0.81382%0.824SS**  trans-65.3148.8-179.6-58.5-99.6000117.4
473K34.7Very low33.9Very low203 Ų203146.9 Ų146.988%0.88382%0.816SS**  -177141.2120.5-96.8149.3-169.2170.20113.9
474K39Very low35.4Very low207 Ų207148.4 Ų148.490%0.981%0.811SS**PPolyproline II helixtrans-80.3140.8166.6-67.9-178.1177.5-178.40111.6
475P34.7Very low36.7Very low123 Ų123147.3 Ų147.380%0.79981%0.806SS**PPolyproline II helixtrans-99.1171.8147.334.1-26.6000111.6
476K31.7Very low37.7Very low197 Ų197148.1 Ų148.186%0.85780%0.797SS**PPolyproline II helixtrans-91.6151.9-174.9-62.3173179.4177.70111.7
477Q29.8Very low38.1Very low196 Ų196144.7 Ų144.792%0.91678%0.776SS**PPolyproline II helixtrans-62.7135.6162-78.9166.7-7600110
478F32Very low39.6Very low207 Ų207142.3 Ų142.391%0.90875%0.751SS**PPolyproline II helixtrans-101.6126.9151.7-106.7-95.9000106.7
479Q31.8Very low41.4Very low188 Ų188141 Ų14188%0.87974%0.735SS**PPolyproline II helixtrans-91.5123.9172.2-168.6164.6-3.300107.3
480A31.1Very low42.3Very low86 Ų86140.4 Ų140.471%0.71172%0.724SS**PPolyproline II helixtrans-74144.6170.300000108.7
481A38.8Very low44Very low89 Ų89141.5 Ų141.574%0.73672%0.717SS**PPolyproline II helixtrans-68.5146.4166.500000109.7
482D45.8Very low46Very low163 Ų163142.9 Ų142.987%0.87271%0.705SS**PPolyproline II helixtrans-59.3154.4171.5-61.6-66.9000110.9
483R43.6Very low47.6Very low180 Ų180138.2 Ų138.268%0.67969%0.688SS**  trans-134.2111.1-160.8-163-172.9-1481064.1109.8E485R483-E485 PolarHBondContact O-N 3.22Å; R483-E485 VanDerWaalsContact O-N 3.12Å
484D60.9Low48.9Very low127 Ų127137 Ų13768%0.67968%0.678SS**  trans-54.6115.7-172.1-46.6-56.9000111.4E486 S487D484-E486 PolarHBondContact O-N 3.4Å; D484-S487 WeakPolarHBondContact O-CB 3.37Å; D484-S487 PolarHBondContact O-N 3.48Å; D484-S487 PolarHBondContact O-OG 3.25Å
485E55.5Low49.9Very low171 Ų171130.9 Ų130.980%0.79966%0.66SS**Hα-helixtrans-62.8-29.6-174.7-66.1-153.5127.200112.3R483 S487 E488 S489R483-E485 PolarHBondContact O-N 3.22Å; R483-E485 VanDerWaalsContact O-N 3.12Å; E485-S487 VanDerWaalsContact C-N 3.27Å; E485-S487 PolarHBondContact O-N 2.81Å; E485-E488 CarbonylContact O-C 3.58Å; E485-E488 WeakPolarHBondContact O-CA 3.41Å; E485-E488 PolarHBondContact O-N 2.76Å; E485-S489 PolarHBondContact O-N 2.86Å
486E50.8Low51.4Low132 Ų132134 Ų13462%0.61766%0.656SS**Hα-helixtrans-59.5-37.5173.2-156.2-159.8146.300111.9D484 E488 S489 Q490D484-E486 PolarHBondContact O-N 3.4Å; E486-E488 VanDerWaalsContact C-N 3.27Å; E486-E488 PolarHBondContact O-N 2.95Å; E486-S489 WeakPolarHBondContact CA-OG 3.49Å; E486-S489 PolarHBondContact O-N 3.28Å; E486-S489 PolarHBondContact O-OG 3.42Å; E486-Q490 WeakPolarHBondContact O-CB 3.41Å; E486-Q490 VanDerWaalsContact O-CG 3.29Å; E486-Q490 WeakPolarHBondContact O-CG 3.4Å; E486-Q490 PolarHBondContact O-N 3.34Å; E486-Q490 PolarHBondContact OE1-NE2 2.93Å
487S54.8Low52.8Low46 Ų46130.1 Ų130.132%0.32264%0.644SS.*Hα-helixtrans-67.8-28.4176.181.60000112.3D484 E485 R491D484-S487 WeakPolarHBondContact O-CB 3.37Å; D484-S487 PolarHBondContact O-N 3.48Å; D484-S487 PolarHBondContact O-OG 3.25Å; E485-S487 VanDerWaalsContact C-N 3.27Å; E485-S487 PolarHBondContact O-N 2.81Å; S487-R491 WeakPolarHBondContact O-CB 3.41Å; S487-R491 WeakPolarHBondContact O-CD 3.32Å; S487-R491 WeakPolarHBondContact O-CG 3.41Å; S487-R491 PolarHBondContact O-N 3.06Å
488E57.3Low53.9Low78 Ų78126.8 Ų126.836%0.36463%0.63SS.*Hα-helixtrans-82.3-36.7173.3-88.9-141.8-175.700113E485 E486 R491 K492E485-E488 CarbonylContact O-C 3.58Å; E485-E488 WeakPolarHBondContact O-CA 3.41Å; E485-E488 PolarHBondContact O-N 2.76Å; E486-E488 VanDerWaalsContact C-N 3.27Å; E486-E488 PolarHBondContact O-N 2.95Å; E488-R491 PolarHBondContact O-N 2.85Å; E488-K492 WeakPolarHBondContact O-CB 3.49Å; E488-K492 WeakPolarHBondContact O-CD 3.47Å; E488-K492 VanDerWaalsContact O-CG 3.25Å; E488-K492 WeakPolarHBondContact O-CG 3.47Å; E488-K492 PolarHBondContact O-N 3.26Å; E488-K492 WeakPolarHBondContact OE2-CE 3.46Å; E488-K492 IonicContact OE2-NZ 2.76Å; E488-K492 PolarHBondContact OE2-NZ 3.47Å
489S63.1Low55Low66 Ų66125.9 Ų125.946%0.46262%0.62SS.*Hα-helixtrans-64.7-46176.2730000110.5E485 E486 R491 K492 A493E485-S489 PolarHBondContact O-N 2.86Å; E486-S489 WeakPolarHBondContact CA-OG 3.49Å; E486-S489 PolarHBondContact O-N 3.28Å; E486-S489 PolarHBondContact O-OG 3.42Å; S489-R491 VanDerWaalsContact C-N 3.32Å; S489-R491 PolarHBondContact O-N 3.1Å; S489-K492 PolarHBondContact O-N 2.87Å; S489-A493 WeakPolarHBondContact O-CB 3.29Å; S489-A493 PolarHBondContact O-N 3.43Å
490Q63.5Low56.1Low87 Ų87122.8 Ų122.841%0.40761%0.606SS.*Hα-helixtrans-61.5-36.5173.8-68.2-175.124.300112.6E486 R494E486-Q490 WeakPolarHBondContact O-CB 3.41Å; E486-Q490 VanDerWaalsContact O-CG 3.29Å; E486-Q490 WeakPolarHBondContact O-CG 3.4Å; E486-Q490 PolarHBondContact O-N 3.34Å; E486-Q490 PolarHBondContact OE1-NE2 2.93Å; Q490-R494 WeakPolarHBondContact O-CB 3.4Å; Q490-R494 PolarHBondContact O-N 3.43Å
491R64.2Low56.9Low180 Ų180121.9 Ų121.968%0.67959%0.594SS**Hα-helixtrans-68.4-43.1172.7-79.1175.9-175.9-141.70.6112.2S487 E488 S489 A493 R494 C495S487-R491 WeakPolarHBondContact O-CB 3.41Å; S487-R491 WeakPolarHBondContact O-CD 3.32Å; S487-R491 WeakPolarHBondContact O-CG 3.41Å; S487-R491 PolarHBondContact O-N 3.06Å; E488-R491 PolarHBondContact O-N 2.85Å; S489-R491 VanDerWaalsContact C-N 3.32Å; S489-R491 PolarHBondContact O-N 3.1Å; R491-A493 VanDerWaalsContact C-N 3.34Å; R491-A493 PolarHBondContact O-N 3.29Å; R491-R494 PolarHBondContact O-N 2.86Å; R491-C495 WeakPolarHBondContact O-CB 3.5Å; R491-C495 PolarHBondContact O-N 2.93Å; R491-C495 PolarHBondContact O-SG 3.11Å
492K70.7Confident57.4Low122 Ų122125.8 Ų125.853%0.5359%0.59SS.*Hα-helixtrans-63-40176.3-74.4161.3-174.4159.50111.1E488 S489 C495 R496E488-K492 WeakPolarHBondContact O-CB 3.49Å; E488-K492 WeakPolarHBondContact O-CD 3.47Å; E488-K492 VanDerWaalsContact O-CG 3.25Å; E488-K492 WeakPolarHBondContact O-CG 3.47Å; E488-K492 PolarHBondContact O-N 3.26Å; E488-K492 WeakPolarHBondContact OE2-CE 3.46Å; E488-K492 IonicContact OE2-NZ 2.76Å; E488-K492 PolarHBondContact OE2-NZ 3.47Å; S489-K492 PolarHBondContact O-N 2.87Å; K492-C495 PolarHBondContact O-N 2.79Å; K492-R496 WeakPolarHBondContact O-CG 3.41Å; K492-R496 PolarHBondContact O-N 3.46Å
493A65.5Low57.8Low54 Ų54127.9 Ų127.945%0.44659%0.586SS.*Hα-helixtrans-61.6-54.2172.400000111.8S489 R491 C495 R496 L497S489-A493 WeakPolarHBondContact O-CB 3.29Å; S489-A493 PolarHBondContact O-N 3.43Å; R491-A493 VanDerWaalsContact C-N 3.34Å; R491-A493 PolarHBondContact O-N 3.29Å; A493-C495 VanDerWaalsContact C-N 3.26Å; A493-C495 PolarHBondContact O-N 3.23Å; A493-R496 WeakPolarHBondContact O-CB 3.36Å; A493-R496 PolarHBondContact O-N 3.14Å; A493-L497 PolarHBondContact O-N 3.09Å
494R63.4Low58Low179 Ų179126.7 Ų126.768%0.67559%0.592SS**Hα-helixtrans-58.8-34.5176.2-79.5179.6160.1128.9-4.6113Q490 R491 M498Q490-R494 WeakPolarHBondContact O-CB 3.4Å; Q490-R494 PolarHBondContact O-N 3.43Å; R491-R494 PolarHBondContact O-N 2.86Å; R494-M498 WeakPolarHBondContact O-CB 3.31Å; R494-M498 PolarHBondContact O-N 2.83Å
495C59.1Low57.3Low77 Ų77125.8 Ų125.852%0.5259%0.591SS.*Hα-helixtrans-71.5-32.6173.1-78.30000114.1R491 K492 A493 R499R491-C495 WeakPolarHBondContact O-CB 3.5Å; R491-C495 PolarHBondContact O-N 2.93Å; R491-C495 PolarHBondContact O-SG 3.11Å; K492-C495 PolarHBondContact O-N 2.79Å; A493-C495 VanDerWaalsContact C-N 3.26Å; A493-C495 PolarHBondContact O-N 3.23Å; C495-R499 VanDerWaalsContact O-CG 3.3Å; C495-R499 WeakPolarHBondContact O-CG 3.36Å; C495-R499 PolarHBondContact O-N 3.11Å
496R66.3Low56.8Low188 Ų188125.6 Ų125.671%0.70959%0.59SS**Hα-helixtrans-65.9-47.4170-77177.6174.1179.6-2.3110.5K492 A493 M498 R499 Q500K492-R496 WeakPolarHBondContact O-CG 3.41Å; K492-R496 PolarHBondContact O-N 3.46Å; A493-R496 WeakPolarHBondContact O-CB 3.36Å; A493-R496 PolarHBondContact O-N 3.14Å; R496-M498 PolarHBondContact O-N 3.06Å; R496-R499 CarbonylContact O-C 3.53Å; R496-R499 WeakPolarHBondContact O-CA 3.43Å; R496-R499 WeakPolarHBondContact O-CB 3.26Å; R496-R499 PolarHBondContact O-N 2.94Å; R496-Q500 PolarHBondContact O-N 3.36Å; R496-Q500 PolarHBondContact O-OE1 2.87Å
497L61.2Low57Low116 Ų116122.6 Ų122.661%0.60760%0.595SS**Hα-helixtrans-63.3-42-179.2-144.9159.3000111.7A493 R499 Q500 S501A493-L497 PolarHBondContact O-N 3.09Å; L497-R499 VanDerWaalsContact C-N 3.27Å; L497-R499 PolarHBondContact O-N 2.96Å; L497-Q500 PolarHBondContact O-N 3.18Å; L497-S501 WeakPolarHBondContact O-CB 3.29Å; L497-S501 PolarHBondContact O-N 3.43Å
498M53.2Low56.8Low126 Ų126125.3 Ų125.362%0.62161%0.609SS**Hα-helixtrans-62.6-27.6169.6-87.6-162.6170.400114.2R494 R496 R502R494-M498 WeakPolarHBondContact O-CB 3.31Å; R494-M498 PolarHBondContact O-N 2.83Å; R496-M498 PolarHBondContact O-N 3.06Å; M498-R502 WeakPolarHBondContact O-CB 3.47Å; M498-R502 WeakPolarHBondContact O-CD 3.41Å; M498-R502 VanDerWaalsContact O-CG 3.26Å; M498-R502 WeakPolarHBondContact O-CG 3.35Å; M498-R502 PolarHBondContact O-N 3.44Å
499R53.8Low57.2Low189 Ų189124.6 Ų124.671%0.71361%0.61SS**Hα-helixtrans-80.3-34.5175.8-76.5175.6176.6-157.7-0.2112.2C495 R496 L497 R503C495-R499 VanDerWaalsContact O-CG 3.3Å; C495-R499 WeakPolarHBondContact O-CG 3.36Å; C495-R499 PolarHBondContact O-N 3.11Å; R496-R499 CarbonylContact O-C 3.53Å; R496-R499 WeakPolarHBondContact O-CA 3.43Å; R496-R499 WeakPolarHBondContact O-CB 3.26Å; R496-R499 PolarHBondContact O-N 2.94Å; L497-R499 VanDerWaalsContact C-N 3.27Å; L497-R499 PolarHBondContact O-N 2.96Å; R499-R503 WeakPolarHBondContact O-CG 3.49Å; R499-R503 PolarHBondContact O-N 3.35Å
500Q55.2Low56.6Low123 Ų123128.3 Ų128.358%0.57562%0.624SS**Hα-helixtrans-66.4-49170.9-73.8162-58.600110.8R496 L497 R502 R503 L504R496-Q500 PolarHBondContact O-N 3.36Å; R496-Q500 PolarHBondContact O-OE1 2.87Å; L497-Q500 PolarHBondContact O-N 3.18Å; Q500-R502 VanDerWaalsContact C-N 3.27Å; Q500-R502 PolarHBondContact O-N 3.45Å; Q500-R503 WeakPolarHBondContact O-CB 3.46Å; Q500-R503 PolarHBondContact O-N 2.91Å; Q500-L504 PolarHBondContact O-N 2.94Å
501S48.3Very low56.6Low66 Ų66129.1 Ų129.146%0.46264%0.635SS.*Hα-helixtrans-54.1-40.5174.6170.70000112.8L497 R503 L504L497-S501 WeakPolarHBondContact O-CB 3.29Å; L497-S501 PolarHBondContact O-N 3.43Å; S501-R503 PolarHBondContact O-N 3.38Å; S501-L504 PolarHBondContact O-N 3.28Å
502R50.5Low56.5Low172 Ų172125.7 Ų125.765%0.64963%0.627SS**Hα-helixtrans-71.3-24175.9-76173-178-101.30.2114.6M498 Q500M498-R502 WeakPolarHBondContact O-CB 3.47Å; M498-R502 WeakPolarHBondContact O-CD 3.41Å; M498-R502 VanDerWaalsContact O-CG 3.26Å; M498-R502 WeakPolarHBondContact O-CG 3.35Å; M498-R502 PolarHBondContact O-N 3.44Å; Q500-R502 VanDerWaalsContact C-N 3.27Å; Q500-R502 PolarHBondContact O-N 3.45Å
503R52.7Low56Low207 Ų207124.2 Ų124.278%0.78162%0.624SS**Hα-helixtrans-74.9-31.6172.6-74.5177.4175-172.2-3.4111.9R499 Q500 S501 T505R499-R503 WeakPolarHBondContact O-CG 3.49Å; R499-R503 PolarHBondContact O-N 3.35Å; Q500-R503 WeakPolarHBondContact O-CB 3.46Å; Q500-R503 PolarHBondContact O-N 2.91Å; S501-R503 PolarHBondContact O-N 3.38Å; R503-T505 PolarHBondContact O-N 2.91Å
504L48.9Very low55.7Low154 Ų154128.7 Ų128.781%0.80663%0.634SS**THydrogen-bonded Turntrans-72.4-9175.3-86.6155.8000114.5Q500 S501Q500-L504 PolarHBondContact O-N 2.94Å; S501-L504 PolarHBondContact O-N 3.28Å
505T45.5Very low55.8Low109 Ų109126.7 Ų126.767%0.66963%0.632SS**THydrogen-bonded Turntrans-126.819.3-176.765.90000114.4R503R503-T505 PolarHBondContact O-N 2.91Å
506Q44.4Very low55.7Low166 Ų166125.6 Ų125.678%0.77663%0.629SS**  trans-97.3112.9165-71.6-170-75.300109.1
507G54.7Low55.2Low70 Ų70123.3 Ų123.372%0.72263%0.626SS**PPolyproline II helixtrans-72158.1-178.700000113.5
508V51.7Low55.1Low102 Ų102125.6 Ų125.662%0.61863%0.631SS**PPolyproline II helixtrans-48.2135.3177.9-175.40000111.5E512 L513V508-E512 HydrophobicContact CG1-CB 3.71Å; V508-L513 HydrophobicContact CG1-CG 4.08Å
509T66.4Low55Low63 Ų63124.1 Ų124.139%0.38763%0.633SS.*PPolyproline II helixtrans-76.1152.3-178.968.50000112T511 E512 L513T509-T511 WeakPolarHBondContact CB-OG1 3.23Å; T509-T511 PolarHBondContact O-N 3.27Å; T509-T511 VanDerWaalsContact O-N 3.08Å; T509-T511 PolarHBondContact OG1-OG1 2.85Å; T509-E512 WeakPolarHBondContact CA-OE2 3.25Å; T509-E512 VanDerWaalsContact CB-OE2 3.25Å; T509-E512 WeakPolarHBondContact CB-OE2 3.5Å; T509-E512 WeakPolarHBondContact CG2-OE2 3.4Å; T509-E512 PolarHBondContact N-OE2 3.41Å; T509-E512 PolarHBondContact O-N 3.33Å; T509-E512 VanDerWaalsContact O-N 3.11Å; T509-E512 VanDerWaalsContact OG1-CD 3.23Å; T509-E512 WeakPolarHBondContact OG1-CG 3.33Å; T509-E512 PolarHBondContact OG1-N 2.85Å; T509-E512 PolarHBondContact OG1-OE2 3.43Å; T509-L513 PolarHBondContact O-N 3.39Å; T509-L513 VanDerWaalsContact O-N 3.13Å
510L49.9Very low54.9Low145 Ų145120.8 Ų120.876%0.75963%0.633SS**Hα-helixtrans-63.8-11.8174.3-77.7168.8000113.8L513 K514L510-L513 HydrophobicContact CD2-CD1 4.3Å; L510-K514 PolarHBondContact O-N 2.96Å
511T63.3Low54.2Low103 Ų103118.3 Ų118.363%0.63264%0.641SS**Hα-helixtrans-76.4-49.9169.620.90000111.7T509 L513 K514 E515T509-T511 WeakPolarHBondContact CB-OG1 3.23Å; T509-T511 PolarHBondContact O-N 3.27Å; T509-T511 VanDerWaalsContact O-N 3.08Å; T509-T511 PolarHBondContact OG1-OG1 2.85Å; T511-L513 PolarHBondContact O-N 3.17Å; T511-K514 PolarHBondContact O-N 3.34Å; T511-E515 PolarHBondContact O-N 2.88Å
512E62.9Low54.1Low108 Ų108124.6 Ų124.651%0.50566%0.66SS.*Hα-helixtrans-64.5-39.5179-68.1153.4139.400111.5V508 T509 K514 E515 A516V508-E512 HydrophobicContact CG1-CB 3.71Å; T509-E512 WeakPolarHBondContact CA-OE2 3.25Å; T509-E512 VanDerWaalsContact CB-OE2 3.25Å; T509-E512 WeakPolarHBondContact CB-OE2 3.5Å; T509-E512 WeakPolarHBondContact CG2-OE2 3.4Å; T509-E512 PolarHBondContact N-OE2 3.41Å; T509-E512 PolarHBondContact O-N 3.33Å; T509-E512 VanDerWaalsContact O-N 3.11Å; T509-E512 VanDerWaalsContact OG1-CD 3.23Å; T509-E512 WeakPolarHBondContact OG1-CG 3.33Å; T509-E512 PolarHBondContact OG1-N 2.85Å; T509-E512 PolarHBondContact OG1-OE2 3.43Å; E512-K514 PolarHBondContact O-N 3.38Å; E512-E515 PolarHBondContact O-N 2.95Å; E512-A516 PolarHBondContact O-N 2.63Å
513L59.2Low53.6Low92 Ų92121.1 Ų121.148%0.48267%0.668SS.*Hα-helixtrans-59.9-42.2172.9-77.5165.9000112.5V508 T509 L510 T511 E515 A516 E517V508-L513 HydrophobicContact CG1-CG 4.08Å; T509-L513 PolarHBondContact O-N 3.39Å; T509-L513 VanDerWaalsContact O-N 3.13Å; L510-L513 HydrophobicContact CD2-CD1 4.3Å; T511-L513 PolarHBondContact O-N 3.17Å; L513-E515 VanDerWaalsContact C-N 3.35Å; L513-A516 PolarHBondContact O-N 2.75Å; L513-E517 WeakPolarHBondContact O-CG 3.38Å; L513-E517 PolarHBondContact O-N 3.48Å
514K60.1Low52.7Low148 Ų148115.9 Ų115.964%0.64367%0.669SS**Hα-helixtrans-71.3-27.9177.1-89.3-177.4170.9178.60113.9L510 T511 E512 K518L510-K514 PolarHBondContact O-N 2.96Å; T511-K514 PolarHBondContact O-N 3.34Å; E512-K514 PolarHBondContact O-N 3.38Å; K514-K518 WeakPolarHBondContact O-CB 3.26Å; K514-K518 PolarHBondContact O-N 3.24Å
515E65.1Low51.9Low137 Ų137116.4 Ų116.464%0.6467%0.673SS**Hα-helixtrans-71.8-39.4174.6-160122-118.700110.5T511 E512 L513 K518 S519T511-E515 PolarHBondContact O-N 2.88Å; E512-E515 PolarHBondContact O-N 2.95Å; L513-E515 VanDerWaalsContact C-N 3.35Å; E515-K518 WeakPolarHBondContact O-CB 3.39Å; E515-K518 PolarHBondContact O-N 3.04Å; E515-S519 PolarHBondContact O-N 3.17Å
516A57.1Low52Low54 Ų54116.7 Ų116.745%0.44668%0.676SS.*Hα-helixtrans-67.3-39.9172.100000113.4E512 L513 K518 S519 V520E512-A516 PolarHBondContact O-N 2.63Å; L513-A516 PolarHBondContact O-N 2.75Å; A516-K518 PolarHBondContact O-N 2.65Å; A516-S519 PolarHBondContact O-N 2.93Å; A516-S519 PolarHBondContact O-OG 3.27Å; A516-V520 PolarHBondContact O-N 2.87Å
517E54.8Low51.5Low140 Ų140114.6 Ų114.665%0.65468%0.677SS**Hα-helixtrans-60.3-33.5172.7-75.5-179.6151.700112.1L513 V520 G521L513-E517 WeakPolarHBondContact O-CG 3.38Å; L513-E517 PolarHBondContact O-N 3.48Å; E517-V520 PolarHBondContact O-N 3.48Å; E517-G521 PolarHBondContact O-N 3.2Å
518K58.6Low50.8Low164 Ų164117.4 Ų117.471%0.71368%0.683SS**Hα-helixtrans-73.2-26.7-177.5-169.5-177.1176-166.10113.5K514 E515 A516K514-K518 WeakPolarHBondContact O-CB 3.26Å; K514-K518 PolarHBondContact O-N 3.24Å; E515-K518 WeakPolarHBondContact O-CB 3.39Å; E515-K518 PolarHBondContact O-N 3.04Å; A516-K518 PolarHBondContact O-N 2.65Å
519S52.9Low49.9Very low95 Ų95124.2 Ų124.266%0.66470%0.697SS**Hα-helixtrans-81.2-27.9174.256.60000113E515 A516E515-S519 PolarHBondContact O-N 3.17Å; A516-S519 PolarHBondContact O-N 2.93Å; A516-S519 PolarHBondContact O-OG 3.27Å
520V50.5Low48.2Very low118 Ų118129.1 Ų129.172%0.71572%0.721SS**Hα-helixtrans-76.2-28.8177.3176.60000112.7A516 E517 K522A516-V520 PolarHBondContact O-N 2.87Å; E517-V520 PolarHBondContact O-N 3.48Å; V520-K522 PolarHBondContact O-N 2.85Å
521G41.7Very low47.5Very low72 Ų72127.9 Ų127.974%0.74272%0.72SS**THydrogen-bonded Turntrans-70.618.6-172.100000118.3E517E517-G521 PolarHBondContact O-N 3.2Å
522K45.3Very low45.9Very low197 Ų197131.5 Ų131.586%0.85773%0.729SS**THydrogen-bonded Turntrans-136.735.5-172.7-148.9-178.7178.6-176.50116.3V520V520-K522 PolarHBondContact O-N 2.85Å
523A40.4Very low44.3Very low99 Ų99131.1 Ų131.182%0.81874%0.739SS**  trans-145.173.8172.600000113.1
524A33.5Very low42.8Very low98 Ų98133.1 Ų133.181%0.8176%0.755SS**  trans-154.698.4172.200000113.1
525D32.3Very low41.3Very low165 Ų165131.4 Ų131.488%0.88276%0.761SS**  trans-169113.9142.2-121.2-9000111.2
526P46.4Very low40.6Very low114 Ų114130.4 Ų130.474%0.7477%0.767SS**  trans-112.5138.5177.736.6-28.1000114
527P35.6Very low39.1Very low122 Ų122135.2 Ų135.279%0.79278%0.783SS**  trans-76.1159.3165.832-33.1000112.1
528P39.8Very low37.8Very low130 Ų130136 Ų13684%0.84479%0.79SS**  trans-85.5156.3-15532.4-37.7000116.1
529R32.3Very low36.3Very low244 Ų244134 Ų13492%0.92179%0.792SS**  trans-113.6148.4160.4-81.7-172170.7-169.2-1.4111.1
530N30Very low35.1Very low166 Ų166135.6 Ų135.689%0.88880%0.797SS**  trans-84.8164.5176-157.90.9000111.5
531V35.4Very low34.4Very low119 Ų119135.7 Ų135.772%0.72180%0.798SS**  trans-107.6164.5-155.6-168.90000113.6
532Q30.6Very low34Very low179 Ų179138.2 Ų138.284%0.83680%0.802SS**  trans101.9145159.5-57.6-178.410.600115.9
533S28.5Very low33.1Very low101 Ų101135 Ų13571%0.70680%0.799SS**  cis-168.1161.7-27.448.80000106
534V28.9Very low32.6Very low134 Ų134137.5 Ų137.581%0.81279%0.793SS**  -170.5167.362.8169.70000108.5
535S27.8Very low32.4Very low111 Ų111141.7 Ų141.778%0.77679%0.788SS**  trans-75.6178.2-175.6-41.90000115.8
536P49.8Very low32.1Very low117 Ų117140.3 Ų140.376%0.7678%0.777SS**  trans-111.9-175.5-15044-38.5000116
537I26.5Very low31.1Very low154 Ų154141.3 Ų141.379%0.7978%0.776SS**  trans-168127.2149.2-106.1153.1000115
538I26.8Very low30.6Very low156 Ų156144.4 Ų144.480%0.878%0.779SS**  trans48134.5138.7-48173.2000123
539T26.7Very low30Very low124 Ų124144.4 Ų144.476%0.76178%0.777SS**  trans-63.4156.8168.9-16.80000113.3
540V28.8Very low30.3Very low127 Ų127138.4 Ų138.477%0.7777%0.77SS**  -172.4174.372.3-146.10000110.3
541T34.7Very low30.1Very low120 Ų120139.1 Ų139.174%0.73677%0.765SS**  trans-48.8161.7175.354.10000118.4
542P34.1Very low29.7Very low126 Ų126140 Ų14082%0.81876%0.761SS**  trans-131.1160.6135.638.8-29.2000114.8
543T27.2Very low29.5Very low129 Ų129135.2 Ų135.279%0.79175%0.753SS**  trans-117.8160.4173.346.90000111.8
544E30Very low29.4Very low151 Ų151138.1 Ų138.171%0.70676%0.755SS**  trans19.2118.1161.7-54.3-174166.900120.8
545R28.5Very low29.3Very low187 Ų187137.6 Ų137.671%0.70676%0.758SS**  177.1142.8102.5-101.4-178.8170.566.59.5116.8
546E25.9Very low29.4Very low136 Ų136142.2 Ų142.264%0.63677%0.767SS**  trans42.5124.7136.4-67.6170.9-128.300123.8
547N26.3Very low28.4Very low134 Ų134140.3 Ų140.372%0.71777%0.768SS**  92.7128127.8-72.7-22.8000124.9
548E24.5Very low28.5Very low187 Ų187140.1 Ų140.187%0.87477%0.769SS**  trans76.7158.9147.1-67.2-164.5161.500123.2
549T26.8Very low28.7Very low131 Ų131141.4 Ų141.480%0.80477%0.769SS**  trans-127.3163-166.968.50000110.2
550P38Very low28.9Very low118 Ų118142.2 Ų142.277%0.76677%0.768SS**  -154.6173.8105.237.8-18.9000118.5
551K25.7Very low28.9Very low180 Ų180144.1 Ų144.178%0.78377%0.774SS**  trans-27.2169.3153.7-63.8162.7161.4-171.60117.8
552Q26.7Very low28.9Very low137 Ų137142.5 Ų142.564%0.6478%0.78SS**  cis-154.5-169.3-3.4-123.7161.1-79.900106.6E554Q552-E554 PolarHBondContact NE2-OE1 3.35Å
553A27.6Very low28.7Very low79 Ų79143.1 Ų143.165%0.65378%0.781SS**  cis-152.41508.400000108.8
554E25.6Very low28.7Very low162 Ų162147 Ų14776%0.75779%0.788SS**  71.712188.9-65.5172.8-143.600118.9Q552Q552-E554 PolarHBondContact NE2-OE1 3.35Å
555S27.9Very low28.7Very low124 Ų124147.6 Ų147.687%0.86780%0.795SS**  trans-155.2139.2141.863.80000110.1
556E28.9Very low28.9Very low207 Ų207149.9 Ų149.997%0.96780%0.804SS**  trans-94.6166.1-177.6-64.6-170.3126.900113.4
557G28.7Very low29.2Very low77 Ų77155 Ų15579%0.79482%0.818SS**  trans172.581173.700000115
558D29.1Very low29.2Very low151 Ų151160.3 Ų160.381%0.80783%0.827SS**  trans-46.7140-176.6-87.8-48.4000117.5
559K31.8Very low29.6Very low182 Ų182155.2 Ų155.279%0.79183%0.826SS**  -171.8142.4106.6-99.5147.5-165.3163.70116.5
560N29.1Very low29.7Very low141 Ų141160.3 Ų160.375%0.75483%0.83SS**SBendtrans78116.1151.5-63.2-7.7000120.6
561L30.2Very low29.4Very low168 Ų168165.9 Ų165.988%0.8884%0.836SS**  trans63.593.5149.8-54.3179.6000117V563L561-V563 PolarHBondContact O-N 2.8Å
562G34.3Very low29.5Very low85 Ų85164.3 Ų164.388%0.87683%0.831SS**  trans-71.6125-179.600000114.6
563V29.3Very low29.9Very low139 Ų139166.9 Ų166.984%0.84284%0.835SS**  trans-132.5105.5164178.30000108.4L561L561-V563 PolarHBondContact O-N 2.8Å
564K28.9Very low30.2Very low212 Ų212174.2 Ų174.292%0.92285%0.846SS**  trans-158.966169.9-139.3171.3-167.8172.80112.9
565D28.8Very low30.6Very low162 Ų162171.6 Ų171.687%0.86685%0.845SS**PPolyproline II helixtrans-73.8152173.6-139.5-30.1000111.8
566R32.2Very low30.8Very low236 Ų236172.3 Ų172.389%0.89184%0.844SS**PPolyproline II helixtrans-89.5149.5-177.4-89.8-180165.6176-4.3111.8R568R566-R568 PolarHBondContact O-N 3Å
567R31.9Very low30.8Very low243 Ų243165.9 Ų165.992%0.91783%0.834SS**PPolyproline II helixtrans-52.7120.1172.7-64.3170.7170.8174.9-5.6111.7
568R28Very low30.7Very low245 Ų245169.6 Ų169.693%0.92583%0.834SS**  169.7137115.5-94.7179172.3-160.3-2.4113.6R566R566-R568 PolarHBondContact O-N 3Å
569G31.4Very low30.8Very low81 Ų81169.2 Ų169.284%0.83584%0.837SS**  trans84.2157.1172.100000113.8
570R28.7Very low30.6Very low237 Ų237168.9 Ų168.989%0.89484%0.838SS**  cis-159.3156.216-177.4-174.2174.5171.11.5110.4
571R32.8Very low30.6Very low235 Ų235170 Ų17089%0.88784%0.844SS**  trans-54.7134164.9-80.5179.8168.9178.1-4.8111.7
572E28.3Very low30.5Very low147 Ų147165.8 Ų165.869%0.68784%0.841SS**  trans-69.7154156.8-68.3-156.8120.200110.4
573R33.8Very low30.7Very low191 Ų191167.3 Ų167.372%0.72184%0.837SS**  cis-144.6141.8-12.8-102.7162.7-162.8-160.211.4105.5
574R35.3Very low30.7Very low234 Ų234169.5 Ų169.588%0.88384%0.839SS**  42.6134.492.1-62.1-172.5-176.1-127.65.4113.6
575S33.2Very low30.8Very low107 Ų107166.6 Ų166.675%0.74883%0.833SS**  cis-164.7165.8236.80000107.3
576T31.2Very low30.8Very low138 Ų138166.2 Ų166.285%0.84783%0.831SS**  cis-152.3174.948.647.30000109.6
577G29.5Very low30.8Very low73 Ų73162.6 Ų162.675%0.75383%0.829SS**  cis148.3100.3-300000109.9
578I28Very low30.7Very low154 Ų154154.8 Ų154.879%0.7983%0.825SS**  trans-112.1140.7-177.8-73.3174000110.1Q580I578-Q580 HydrophobicContact CG2-CB 4.41Å
579V29.2Very low31Very low143 Ų143152.8 Ų152.887%0.86783%0.826SS**  trans-114.2137.4160.7176.20000106.8
580Q29.5Very low31Very low175 Ų175153.6 Ų153.682%0.81882%0.824SS**  trans-135.6133.6-178.7-173.7174.32.600110I578I578-Q580 HydrophobicContact CG2-CB 4.41Å
581L27.9Very low31Very low166 Ų166150.2 Ų150.287%0.86982%0.819SS**  trans-146.4148.9173.5-81.4174.1000109
582G28.3Very low31.1Very low79 Ų79145.4 Ų145.481%0.81481%0.81SS**  trans71.1109155.500000117.1
583S37.7Very low31.3Very low116 Ų116146 Ų14681%0.81181%0.813SS**  trans-113.8114.9153-179.60000107
584E29.4Very low31.5Very low186 Ų186144.3 Ų144.387%0.86982%0.818SS**  trans-134.9166.9166.6-67.7-165.3118.700108.7
585N31.3Very low31.4Very low151 Ų151138.2 Ų138.281%0.80782%0.818SS**  trans-95.6-173.8-153.3-48.3-56000114.7
586D28.7Very low31.9Very low154 Ų154140 Ų14082%0.82482%0.819SS**  trans106.5151.3141.4-116.948.4000118.8
587D32.5Very low32Very low159 Ų159138.7 Ų138.785%0.8582%0.816SS**  trans-77.6161.4-162.2-62.7-49.1000114.4
588G29.9Very low32.6Very low80 Ų80142.2 Ų142.283%0.82582%0.817SS**  trans-177.9105.2170.400000115.5
589E34.5Very low32.9Very low203 Ų203140.7 Ų140.795%0.94982%0.82SS**  trans-77.7138.4162.8-58.6-177.2122.400110.8
590A30.4Very low33.8Very low97 Ų97140.6 Ų140.680%0.80282%0.82SS**  trans-170.1103.7149.700000114.3
591Q30.5Very low34.7Very low167 Ų167141.8 Ų141.878%0.7883%0.826SS**  trans1.6136.5131.9-80.8177.3-64.900121.9
592L33Very low35.6Very low133 Ų133137 Ų13770%0.69682%0.816SS**  trans69.7156.2140.9-53.6170.3000117.5
593E33.5Very low36.6Very low160 Ų160143.6 Ų143.675%0.74882%0.817SS**  cis-152.9176.5-6.2-133163.3-148.900112.2
594D37.7Very low37.4Very low155 Ų155144.2 Ų144.283%0.82981%0.811SS**  trans-20.2136.6177.2-70.1-16.3000122.1
595A33.9Very low38.5Very low107 Ų107142.2 Ų142.288%0.88481%0.805SS**  trans-146.4120.613600000110.6
596N42.4Very low39.5Very low145 Ų145137.8 Ų137.878%0.77579%0.786SS**  trans-110.4127.3-170.1175.118000112.8
597S34.9Very low41Very low110 Ų110133.7 Ų133.777%0.76977%0.77SS**  trans-171.7124.6137.434.40000115
598N40.5Very low42.6Very low147 Ų147130.9 Ų130.979%0.78675%0.754SS**  trans33.9105.2151.4-64.9-4.2000121.7
599S35.6Very low44.7Very low122 Ų122136 Ų13685%0.85375%0.75SS**  -171.4138.5118.134.80000110.7
600T48Very low47Very low141 Ų141132.4 Ų132.487%0.86573%0.732SS**  trans-122.742.4-159.2-37.90000113.9
601E47.2Very low49.4Very low199 Ų199130.7 Ų130.793%0.9371%0.711SS**SBendtrans-131.124.5-179.8-64-169.7150.500113.5
602G48.9Very low51.8Low65 Ų65127.6 Ų127.667%0.6770%0.699SS**  trans-114.81.4-169.700000118
603R48.8Very low54.2Low219 Ų219128.5 Ų128.583%0.82670%0.695SS**SBendtrans-97.1-37.6-166.4-70.9-171.6176-172.6-1115.6S606R603-S606 PolarHBondContact O-N 3.2Å
604D53.9Low56.8Low129 Ų129125.2 Ų125.269%0.6968%0.681SS**Hα-helixtrans-75.2-44-165.3-55.5-34.1000113.1S606 S607 D608D604-S606 PolarHBondContact O-N 3.29Å; D604-S606 VanDerWaalsContact O-N 3.09Å; D604-S607 WeakPolarHBondContact O-CA 3.37Å; D604-S607 VanDerWaalsContact O-CB 3.25Å; D604-S607 WeakPolarHBondContact O-CB 3.35Å; D604-S607 PolarHBondContact O-N 2.77Å; D604-D608 PolarHBondContact O-N 2.76Å; D604-D608 VanDerWaalsContact O-N 3.12Å
605L52.4Low59.1Low144 Ų144123.1 Ų123.175%0.75467%0.665SS**Hα-helixtrans-57.3-28.6176.7-70.4170000113.5Y609L605-Y609 PolarHBondContact O-N 2.87Å
606S53Low61.7Low57 Ų57121.2 Ų121.240%0.39964%0.642SS.*Hα-helixtrans-75.1-28.9175.1-168.10000112.5R603 D604 K610R603-S606 PolarHBondContact O-N 3.2Å; D604-S606 PolarHBondContact O-N 3.29Å; D604-S606 VanDerWaalsContact O-N 3.09Å; S606-K610 VanDerWaalsContact O-CD 3.28Å; S606-K610 WeakPolarHBondContact O-CD 3.37Å; S606-K610 VanDerWaalsContact O-CG 3.24Å; S606-K610 WeakPolarHBondContact O-CG 3.2Å; S606-K610 PolarHBondContact O-N 3.16Å; S606-K610 PolarHBondContact OG-NZ 3.41Å
607S60.1Low64Low69 Ų69118.2 Ų118.248%0.48363%0.625SS.*Hα-helixtrans-72.4-45.5176-160.20000111.1D604 K610 T611D604-S607 WeakPolarHBondContact O-CA 3.37Å; D604-S607 VanDerWaalsContact O-CB 3.25Å; D604-S607 WeakPolarHBondContact O-CB 3.35Å; D604-S607 PolarHBondContact O-N 2.77Å; S607-K610 PolarHBondContact O-N 3.37Å; S607-T611 WeakPolarHBondContact O-CB 3.3Å; S607-T611 PolarHBondContact O-N 2.96Å; S607-T611 PolarHBondContact O-OG1 2.81Å
608D66.3Low66.6Low99 Ų99118.7 Ų118.753%0.52962%0.615SS.*Hα-helixtrans-64.5-43.8-179.7-72.1-19.1000112.2D604 K610 T611 L612D604-D608 PolarHBondContact O-N 2.76Å; D604-D608 VanDerWaalsContact O-N 3.12Å; D608-K610 VanDerWaalsContact C-N 3.33Å; D608-K610 PolarHBondContact O-N 3.14Å; D608-T611 PolarHBondContact O-N 2.88Å; D608-L612 WeakPolarHBondContact O-CB 3.31Å; D608-L612 PolarHBondContact O-N 3.33Å
609Y73.2Confident68.8Low189 Ų189116.7 Ų116.774%0.74160%0.601SS**Hα-helixtrans-65.5-35.5178.9-127.7-79.8000112.8L605 Y613L605-Y609 PolarHBondContact O-N 2.87Å; Y609-Y613 WeakPolarHBondContact O-CB 3.36Å; Y609-Y613 PolarHBondContact O-N 3.31Å
610K82.4Confident71.2Confident127 Ų127114.5 Ų114.555%0.55258%0.58SS**Hα-helixtrans-67.9-41.7172.5-73.2168.2-174.6160.70111.3S606 S607 D608 Y613 I614S606-K610 VanDerWaalsContact O-CD 3.28Å; S606-K610 WeakPolarHBondContact O-CD 3.37Å; S606-K610 VanDerWaalsContact O-CG 3.24Å; S606-K610 WeakPolarHBondContact O-CG 3.2Å; S606-K610 PolarHBondContact O-N 3.16Å; S606-K610 PolarHBondContact OG-NZ 3.41Å; S607-K610 PolarHBondContact O-N 3.37Å; D608-K610 VanDerWaalsContact C-N 3.33Å; D608-K610 PolarHBondContact O-N 3.14Å; K610-Y613 PolarHBondContact O-N 2.98Å; K610-I614 VanDerWaalsContact O-CG1 3.28Å; K610-I614 WeakPolarHBondContact O-CG1 3.18Å; K610-I614 PolarHBondContact O-N 2.81Å
611T81.1Confident73.2Confident61 Ų61112.4 Ų112.437%0.37456%0.562SS.*Hα-helixtrans-64.7-42178.7-57.20000111.5S607 D608 I614 K615S607-T611 WeakPolarHBondContact O-CB 3.3Å; S607-T611 PolarHBondContact O-N 2.96Å; S607-T611 PolarHBondContact O-OG1 2.81Å; D608-T611 PolarHBondContact O-N 2.88Å; T611-I614 PolarHBondContact O-N 3.36Å; T611-K615 WeakPolarHBondContact O-CG 3.43Å; T611-K615 PolarHBondContact O-N 2.8Å
612L80.4Confident75.1Confident101 Ų101106 Ų10653%0.52954%0.536SS..Hα-helixtrans-62.1-45.9171.7-86162.7000112.1D608 I614 K615 V616D608-L612 WeakPolarHBondContact O-CB 3.31Å; D608-L612 PolarHBondContact O-N 3.33Å; L612-I614 VanDerWaalsContact C-N 3.34Å; L612-I614 PolarHBondContact O-N 2.97Å; L612-K615 PolarHBondContact O-N 3.02Å; L612-V616 WeakPolarHBondContact O-CG2 3.28Å; L612-V616 PolarHBondContact O-N 3.33Å
613Y84.8Confident76.9Confident153 Ų153108.1 Ų108.160%0.653%0.531SS*.Hα-helixtrans-61.8-40.2178.3-178.6-110.8000112.6Y609 K610 L617Y609-Y613 WeakPolarHBondContact O-CB 3.36Å; Y609-Y613 PolarHBondContact O-N 3.31Å; K610-Y613 PolarHBondContact O-N 2.98Å; Y613-L617 HydrophobicContact CD1-CD1 3.96Å; Y613-L617 HydrophobicContact CE1-CD1 3.48Å; Y613-L617 VanDerWaalsContact CE1-CD1 3.48Å; Y613-L617 HydrophobicContact CE1-CG 4.32Å; Y613-L617 HydrophobicContact CE2-CD1 4.44Å; Y613-L617 HydrophobicContact CE2-CG 4.45Å; Y613-L617 WeakPolarHBondContact O-CB 3.45Å; Y613-L617 WeakPolarHBondContact O-CG 3.32Å; Y613-L617 PolarHBondContact O-N 3.13Å
614I86.9Confident78.7Confident91 Ų91103.5 Ų103.547%0.46752%0.518SS..Hα-helixtrans-65.5-42.8175.7-69.1164.6000111.2K610 T611 L612 L617 Q618K610-I614 VanDerWaalsContact O-CG1 3.28Å; K610-I614 WeakPolarHBondContact O-CG1 3.18Å; K610-I614 PolarHBondContact O-N 2.81Å; T611-I614 PolarHBondContact O-N 3.36Å; L612-I614 VanDerWaalsContact C-N 3.34Å; L612-I614 PolarHBondContact O-N 2.97Å; I614-L617 PolarHBondContact O-N 3.33Å; I614-Q618 WeakPolarHBondContact O-CG 3.36Å; I614-Q618 PolarHBondContact O-N 3.38Å
615K86.9Confident80.5Confident111 Ų111102.7 Ų102.748%0.48351%0.509SS..Hα-helixtrans-60.8-48.8174.7-75.1176.3177.5-177.90112T611 L612 L617 Q618 E619T611-K615 WeakPolarHBondContact O-CG 3.43Å; T611-K615 PolarHBondContact O-N 2.8Å; L612-K615 PolarHBondContact O-N 3.02Å; K615-L617 VanDerWaalsContact C-N 3.26Å; K615-L617 PolarHBondContact O-N 2.94Å; K615-Q618 WeakPolarHBondContact O-CB 3.37Å; K615-Q618 PolarHBondContact O-N 2.86Å; K615-E619 WeakPolarHBondContact O-CG 3.35Å; K615-E619 PolarHBondContact O-N 2.67Å
616V88.4Confident82.1Confident66 Ų66102 Ų10240%0.450%0.501SS..Hα-helixtrans-62-33.9177.9172.60000111.4L612 N620L612-V616 WeakPolarHBondContact O-CG2 3.28Å; L612-V616 PolarHBondContact O-N 3.33Å; V616-N620 WeakPolarHBondContact O-CB 3.45Å; V616-N620 PolarHBondContact O-N 2.79Å; V616-N620 PolarHBondContact O-ND2 3.48Å
617L91.1Very high83.9Confident82 Ų82104.9 Ų104.943%0.42951%0.511SS..Hα-helixtrans-66.4-43.4171.2-80.1173.9000112.6Y613 I614 K615 N620 M621Y613-L617 HydrophobicContact CD1-CD1 3.96Å; Y613-L617 HydrophobicContact CE1-CD1 3.48Å; Y613-L617 VanDerWaalsContact CE1-CD1 3.48Å; Y613-L617 HydrophobicContact CE1-CG 4.32Å; Y613-L617 HydrophobicContact CE2-CD1 4.44Å; Y613-L617 HydrophobicContact CE2-CG 4.45Å; Y613-L617 WeakPolarHBondContact O-CB 3.45Å; Y613-L617 WeakPolarHBondContact O-CG 3.32Å; Y613-L617 PolarHBondContact O-N 3.13Å; I614-L617 PolarHBondContact O-N 3.33Å; K615-L617 VanDerWaalsContact C-N 3.26Å; K615-L617 PolarHBondContact O-N 2.94Å; L617-N620 PolarHBondContact O-N 2.75Å; L617-M621 WeakPolarHBondContact O-CG 3.5Å; L617-M621 PolarHBondContact O-N 3.4Å
618Q88.8Confident85.2Confident121 Ų121108 Ų10857%0.56552%0.518SS*.Hα-helixtrans-63.3-44.8176.2-71.8169.8-26.800111.6I614 K615 N620 M621 T622I614-Q618 WeakPolarHBondContact O-CG 3.36Å; I614-Q618 PolarHBondContact O-N 3.38Å; K615-Q618 WeakPolarHBondContact O-CB 3.37Å; K615-Q618 PolarHBondContact O-N 2.86Å; Q618-N620 PolarHBondContact O-N 3.48Å; Q618-M621 PolarHBondContact O-N 3.39Å; Q618-M621 VanDerWaalsContact O-N 3.11Å; Q618-T622 PolarHBondContact O-N 3.27Å; Q618-T622 PolarHBondContact O-OG1 3.47Å
619E86.6Confident86.4Confident104 Ų104108.5 Ų108.549%0.48652%0.517SS..Hα-helixtrans-57.6-46.5172.4-70.9162-163.200110.9K615 M621 T622 L623K615-E619 WeakPolarHBondContact O-CG 3.35Å; K615-E619 PolarHBondContact O-N 2.67Å; E619-M621 VanDerWaalsContact C-N 3.26Å; E619-M621 PolarHBondContact O-N 3.49Å; E619-T622 PolarHBondContact O-N 2.99Å; E619-T622 PolarHBondContact O-OG1 2.87Å; E619-L623 WeakPolarHBondContact O-CB 3.39Å; E619-L623 VanDerWaalsContact O-CG 3.26Å; E619-L623 WeakPolarHBondContact O-CG 3.38Å; E619-L623 PolarHBondContact O-N 3.22Å
620N85.6Confident86.6Confident77 Ų77104.9 Ų104.941%0.41251%0.508SS..Hα-helixtrans-65.6-22.3175.9-88.2-93.5000114.3V616 L617 Q618 K624V616-N620 WeakPolarHBondContact O-CB 3.45Å; V616-N620 PolarHBondContact O-N 2.79Å; V616-N620 PolarHBondContact O-ND2 3.48Å; L617-N620 PolarHBondContact O-N 2.75Å; Q618-N620 PolarHBondContact O-N 3.48Å; N620-K624 WeakPolarHBondContact O-CD 3.23Å; N620-K624 WeakPolarHBondContact O-CE 3.43Å; N620-K624 VanDerWaalsContact O-CG 3.26Å; N620-K624 WeakPolarHBondContact O-CG 3.45Å
621M90.9Very high86.8Confident96 Ų96105.2 Ų105.247%0.47351%0.511SS..Hα-helixtrans-79.7-49.7172.1-70-57-6200110.9L617 Q618 E619 L623 K624 E625L617-M621 WeakPolarHBondContact O-CG 3.5Å; L617-M621 PolarHBondContact O-N 3.4Å; Q618-M621 PolarHBondContact O-N 3.39Å; Q618-M621 VanDerWaalsContact O-N 3.11Å; E619-M621 VanDerWaalsContact C-N 3.26Å; E619-M621 PolarHBondContact O-N 3.49Å; M621-L623 VanDerWaalsContact C-N 3.25Å; M621-L623 PolarHBondContact O-N 2.93Å; M621-K624 WeakPolarHBondContact O-CA 3.46Å; M621-K624 WeakPolarHBondContact O-CB 3.39Å; M621-K624 PolarHBondContact O-N 2.95Å; M621-K624 HydrophobicContact SD-CD 4.22Å; M621-E625 WeakPolarHBondContact O-CG 3.44Å; M621-E625 PolarHBondContact O-N 3.33Å
622T86.9Confident87.3Confident65 Ų65107.7 Ų107.740%0.39952%0.519SS..Hα-helixtrans-61.8-30.8176.759.20000113.4Q618 E619 E625 K626Q618-T622 PolarHBondContact O-N 3.27Å; Q618-T622 PolarHBondContact O-OG1 3.47Å; E619-T622 PolarHBondContact O-N 2.99Å; E619-T622 PolarHBondContact O-OG1 2.87Å; T622-E625 WeakPolarHBondContact CA-OE2 3.5Å; T622-K626 WeakPolarHBondContact O-CB 3.04Å; T622-K626 WeakPolarHBondContact O-CG 3.4Å; T622-K626 PolarHBondContact O-N 3.49Å
623L86.1Confident87.3Confident109 Ų109106.6 Ų106.657%0.57151%0.511SS*.Hα-helixtrans-68.7-32.7172-74.5170.2000112.9E619 M621 L627E619-L623 WeakPolarHBondContact O-CB 3.39Å; E619-L623 VanDerWaalsContact O-CG 3.26Å; E619-L623 WeakPolarHBondContact O-CG 3.38Å; E619-L623 PolarHBondContact O-N 3.22Å; M621-L623 VanDerWaalsContact C-N 3.25Å; M621-L623 PolarHBondContact O-N 2.93Å; L623-L627 VanDerWaalsContact O-CB 3.3Å; L623-L627 WeakPolarHBondContact O-CB 3.48Å; L623-L627 PolarHBondContact O-N 2.93Å
624K86.7Confident87.2Confident123 Ų123105.1 Ų105.154%0.53551%0.513SS..Hα-helixtrans-72.9-41.2173.3-71165.7-171170.20111.6N620 M621 L627 Q628N620-K624 WeakPolarHBondContact O-CD 3.23Å; N620-K624 WeakPolarHBondContact O-CE 3.43Å; N620-K624 VanDerWaalsContact O-CG 3.26Å; N620-K624 WeakPolarHBondContact O-CG 3.45Å; M621-K624 WeakPolarHBondContact O-CA 3.46Å; M621-K624 WeakPolarHBondContact O-CB 3.39Å; M621-K624 PolarHBondContact O-N 2.95Å; M621-K624 HydrophobicContact SD-CD 4.22Å; K624-L627 PolarHBondContact O-N 3.19Å; K624-Q628 WeakPolarHBondContact O-CB 3.14Å; K624-Q628 PolarHBondContact O-N 3.26Å
625E92.8Very high87.2Confident111 Ų111103.8 Ų103.852%0.51951%0.512SS..Hα-helixtrans-59.3-47.9175.7-69.9161.8179.500110.5M621 T622 L627 Q628 E629M621-E625 WeakPolarHBondContact O-CG 3.44Å; M621-E625 PolarHBondContact O-N 3.33Å; T622-E625 WeakPolarHBondContact CA-OE2 3.5Å; E625-L627 PolarHBondContact O-N 2.94Å; E625-Q628 PolarHBondContact O-N 3.33Å; E625-E629 WeakPolarHBondContact O-CB 3.36Å; E625-E629 PolarHBondContact O-N 3.29Å
626K85Confident87.1Confident131 Ų131103.4 Ų103.457%0.5751%0.512SS*.Hα-helixtrans-63-36.6173.9-73.4176.3177.6-175.70113.8T622 E629 M630T622-K626 WeakPolarHBondContact O-CB 3.04Å; T622-K626 WeakPolarHBondContact O-CG 3.4Å; T622-K626 PolarHBondContact O-N 3.49Å; K626-E629 PolarHBondContact O-N 3.05Å; K626-M630 WeakPolarHBondContact O-CB 3.36Å; K626-M630 VanDerWaalsContact O-CG 3.24Å; K626-M630 WeakPolarHBondContact O-CG 3.39Å; K626-M630 PolarHBondContact O-N 3.42Å
627L90.1Very high86.4Confident117 Ų117104.8 Ų104.861%0.61352%0.517SS*.Hα-helixtrans-67.6-40175.9-175.5148.9000111.3L623 K624 E625 M630 E631L623-L627 VanDerWaalsContact O-CB 3.3Å; L623-L627 WeakPolarHBondContact O-CB 3.48Å; L623-L627 PolarHBondContact O-N 2.93Å; K624-L627 PolarHBondContact O-N 3.19Å; E625-L627 PolarHBondContact O-N 2.94Å; L627-M630 PolarHBondContact O-N 2.97Å; L627-E631 WeakPolarHBondContact O-CB 3.48Å; L627-E631 PolarHBondContact O-N 2.97Å
628Q89Confident86.3Confident134 Ų134107.3 Ų107.363%0.62652%0.524SS*.Hα-helixtrans-68.3-37.8175.4-175.1176.5-12.700111.9K624 E625 E631 Q632K624-Q628 WeakPolarHBondContact O-CB 3.14Å; K624-Q628 PolarHBondContact O-N 3.26Å; E625-Q628 PolarHBondContact O-N 3.33Å; Q628-E631 PolarHBondContact O-N 2.9Å; Q628-Q632 WeakPolarHBondContact O-CB 3.44Å; Q628-Q632 PolarHBondContact O-N 3.07Å
629E89.7Confident86.3Confident110 Ų110104.8 Ų104.851%0.51452%0.517SS..Hα-helixtrans-63.9-45.8172.7-177.6175.1-154.200111.6E625 K626 E631 Q632 Q633E625-E629 WeakPolarHBondContact O-CB 3.36Å; E625-E629 PolarHBondContact O-N 3.29Å; K626-E629 PolarHBondContact O-N 3.05Å; E629-E631 PolarHBondContact O-N 2.84Å; E629-Q632 PolarHBondContact O-N 3.33Å; E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.07Å
630M78.2Confident86.1Confident113 Ų113104.9 Ų104.956%0.55752%0.518SS*.Hα-helixtrans-60.7-42.6173.6-75.5-100.770.700112.3K626 L627 Q632 Q633 L634K626-M630 WeakPolarHBondContact O-CB 3.36Å; K626-M630 VanDerWaalsContact O-CG 3.24Å; K626-M630 WeakPolarHBondContact O-CG 3.39Å; K626-M630 PolarHBondContact O-N 3.42Å; L627-M630 PolarHBondContact O-N 2.97Å; M630-Q632 VanDerWaalsContact C-N 3.33Å; M630-Q632 PolarHBondContact O-N 2.89Å; M630-Q633 VanDerWaalsContact CE-OE1 3.25Å; M630-Q633 PolarHBondContact O-N 3.37Å; M630-L634 WeakPolarHBondContact O-CB 3.37Å; M630-L634 PolarHBondContact O-N 2.9Å
631E87.1Confident85.7Confident133 Ų133106.9 Ų106.962%0.62153%0.527SS*.Hα-helixtrans-63.8-38.7175.9-173.6170.3-157.800111.5L627 Q628 E629 L634 S635L627-E631 WeakPolarHBondContact O-CB 3.48Å; L627-E631 PolarHBondContact O-N 2.97Å; Q628-E631 PolarHBondContact O-N 2.9Å; E629-E631 PolarHBondContact O-N 2.84Å; E631-L634 PolarHBondContact O-N 3.06Å; E631-S635 WeakPolarHBondContact O-CB 3.26Å; E631-S635 PolarHBondContact O-N 3.11Å
632Q91.9Very high85.2Confident114 Ų114108.3 Ų108.353%0.53353%0.533SS..Hα-helixtrans-64.7-45.6173.8-175.6173.1-8.900112.1Q628 E629 M630 S635 Q636Q628-Q632 WeakPolarHBondContact O-CB 3.44Å; Q628-Q632 PolarHBondContact O-N 3.07Å; E629-Q632 PolarHBondContact O-N 3.33Å; M630-Q632 VanDerWaalsContact C-N 3.33Å; M630-Q632 PolarHBondContact O-N 2.89Å; Q632-S635 WeakPolarHBondContact O-CB 3.4Å; Q632-S635 PolarHBondContact O-N 2.85Å; Q632-S635 PolarHBondContact O-OG 3.25Å; Q632-Q636 WeakPolarHBondContact O-CG 3.41Å; Q632-Q636 PolarHBondContact O-N 3.35Å
633Q80.6Confident85Confident77 Ų77112.6 Ų112.636%0.3654%0.542SS..Hα-helixtrans-61.7-42.7175.5-70.5175.59.600111.8E629 M630 S635 Q636 N637E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.07Å; M630-Q633 VanDerWaalsContact CE-OE1 3.25Å; M630-Q633 PolarHBondContact O-N 3.37Å; Q633-S635 VanDerWaalsContact C-N 3.29Å; Q633-S635 PolarHBondContact O-N 3.42Å; Q633-Q636 PolarHBondContact O-N 2.82Å; Q633-Q636 VanDerWaalsContact O-N 3.13Å; Q633-N637 VanDerWaalsContact O-CG 3.29Å; Q633-N637 PolarHBondContact O-N 3.33Å; Q633-N637 PolarHBondContact O-OD1 2.85Å
634L82.1Confident84.4Confident122 Ų122112.6 Ų112.664%0.63954%0.542SS*.Hα-helixtrans-61.7-38.9175.7-151.9169.9000110.9M630 E631 K638M630-L634 WeakPolarHBondContact O-CB 3.37Å; M630-L634 PolarHBondContact O-N 2.9Å; E631-L634 PolarHBondContact O-N 3.06Å; L634-K638 WeakPolarHBondContact O-CB 3.4Å; L634-K638 PolarHBondContact O-N 3.16Å
635S86.9Confident83.8Confident63 Ų63115.1 Ų115.144%0.44155%0.548SS..Hα-helixtrans-64.3-37.717483.70000113.1E631 Q632 Q633 V639E631-S635 WeakPolarHBondContact O-CB 3.26Å; E631-S635 PolarHBondContact O-N 3.11Å; Q632-S635 WeakPolarHBondContact O-CB 3.4Å; Q632-S635 PolarHBondContact O-N 2.85Å; Q632-S635 PolarHBondContact O-OG 3.25Å; Q633-S635 VanDerWaalsContact C-N 3.29Å; Q633-S635 PolarHBondContact O-N 3.42Å; S635-V639 WeakPolarHBondContact O-CG2 3.48Å; S635-V639 PolarHBondContact O-N 2.92Å; S635-V639 VanDerWaalsContact O-N 3.17Å
636Q84.6Confident83Confident104 Ų104116.1 Ų116.149%0.48655%0.553SS.*Hα-helixtrans-68.1-50.9177.1-72.1169.3-13.700110.8Q632 Q633 K638 V639 E640Q632-Q636 WeakPolarHBondContact O-CG 3.41Å; Q632-Q636 PolarHBondContact O-N 3.35Å; Q633-Q636 PolarHBondContact O-N 2.82Å; Q633-Q636 VanDerWaalsContact O-N 3.13Å; Q636-K638 PolarHBondContact O-N 3.4Å; Q636-V639 PolarHBondContact O-N 3.06Å; Q636-E640 PolarHBondContact O-N 3.24Å
637N74.6Confident82.2Confident95 Ų95114.3 Ų114.351%0.50855%0.552SS.*Hα-helixtrans-57.4-37.1176.7-66.1-3.5000111.6Q633 E640 L641Q633-N637 VanDerWaalsContact O-CG 3.29Å; Q633-N637 PolarHBondContact O-N 3.33Å; Q633-N637 PolarHBondContact O-OD1 2.85Å; N637-E640 PolarHBondContact O-N 3.32Å; N637-L641 WeakPolarHBondContact O-CB 3.46Å; N637-L641 WeakPolarHBondContact O-CG 3.34Å; N637-L641 PolarHBondContact O-N 3.2Å
638K88Confident81Confident135 Ų135115.7 Ų115.759%0.58755%0.55SS*.Hα-helixtrans-65.3-43.5175.5-175.4179.3176.1-173.70112.6L634 Q636 E640 L641 E642L634-K638 WeakPolarHBondContact O-CB 3.4Å; L634-K638 PolarHBondContact O-N 3.16Å; Q636-K638 PolarHBondContact O-N 3.4Å; K638-E640 VanDerWaalsContact C-N 3.29Å; K638-L641 PolarHBondContact O-N 2.88Å; K638-E642 WeakPolarHBondContact O-CB 3.41Å; K638-E642 PolarHBondContact O-N 3Å
639V89.8Confident79.8Confident68 Ų68114.5 Ų114.541%0.41254%0.544SS..Hα-helixtrans-66.1-34.3175.7169.90000111.2S635 Q636 E642 R643S635-V639 WeakPolarHBondContact O-CG2 3.48Å; S635-V639 PolarHBondContact O-N 2.92Å; S635-V639 VanDerWaalsContact O-N 3.17Å; Q636-V639 PolarHBondContact O-N 3.06Å; V639-E642 PolarHBondContact O-N 2.98Å; V639-R643 VanDerWaalsContact O-CG 3.31Å; V639-R643 WeakPolarHBondContact O-CG 3.48Å; V639-R643 PolarHBondContact O-N 3.24Å
640E80.8Confident78.4Confident106 Ų106112.2 Ų112.250%0.49554%0.54SS..Hα-helixtrans-69.2-44.7176.3-167.1139.1-115.500112.3Q636 N637 K638 E642 R643 L644Q636-E640 PolarHBondContact O-N 3.24Å; N637-E640 PolarHBondContact O-N 3.32Å; K638-E640 VanDerWaalsContact C-N 3.29Å; E640-E642 VanDerWaalsContact C-N 3.3Å; E640-E642 PolarHBondContact O-N 2.88Å; E640-R643 WeakPolarHBondContact O-CB 3.47Å; E640-R643 PolarHBondContact O-N 3.42Å; E640-L644 WeakPolarHBondContact O-CG 3.47Å; E640-L644 PolarHBondContact O-N 3.13Å
641L78.1Confident77.3Confident118 Ų118112.4 Ų112.462%0.61854%0.54SS*.Hα-helixtrans-59.7-39170.5-73.7169.6000112.3N637 K638 L644 R645N637-L641 WeakPolarHBondContact O-CB 3.46Å; N637-L641 WeakPolarHBondContact O-CG 3.34Å; N637-L641 PolarHBondContact O-N 3.2Å; K638-L641 PolarHBondContact O-N 2.88Å; L641-L644 PolarHBondContact O-N 3.28Å; L641-R645 VanDerWaalsContact O-CB 3.29Å; L641-R645 WeakPolarHBondContact O-CB 3.44Å; L641-R645 PolarHBondContact O-N 3.01Å
642E79.9Confident75.7Confident127 Ų127110.7 Ų110.759%0.59353%0.532SS*.Hα-helixtrans-68.2-37.1177.9-165.7156.2-134.900111.8K638 V639 E640 Q646K638-E642 WeakPolarHBondContact O-CB 3.41Å; K638-E642 PolarHBondContact O-N 3Å; V639-E642 PolarHBondContact O-N 2.98Å; E640-E642 VanDerWaalsContact C-N 3.3Å; E640-E642 PolarHBondContact O-N 2.88Å; E642-Q646 WeakPolarHBondContact O-CB 3.34Å; E642-Q646 PolarHBondContact O-N 3.19Å
643R83.6Confident73.7Confident154 Ų154108.4 Ų108.458%0.58153%0.528SS*.Hα-helixtrans-64.5-48.6169.8-72.6169.2-177.9166.11.5112.5V639 E640 R645 Q646 V647V639-R643 VanDerWaalsContact O-CG 3.31Å; V639-R643 WeakPolarHBondContact O-CG 3.48Å; V639-R643 PolarHBondContact O-N 3.24Å; E640-R643 WeakPolarHBondContact O-CB 3.47Å; E640-R643 PolarHBondContact O-N 3.42Å; R643-R645 VanDerWaalsContact C-N 3.29Å; R643-R645 PolarHBondContact O-N 2.93Å; R643-Q646 WeakPolarHBondContact O-CB 3.37Å; R643-Q646 PolarHBondContact O-N 3.46Å; R643-V647 WeakPolarHBondContact O-CG2 3.24Å; R643-V647 PolarHBondContact O-N 2.75Å
644L73.5Confident72.5Confident110 Ų110111 Ų11158%0.57655%0.545SS*.Hα-helixtrans-59.8-41.8179-73.2169.8000111E640 L641 Q646 V647 W648E640-L644 WeakPolarHBondContact O-CG 3.47Å; E640-L644 PolarHBondContact O-N 3.13Å; L641-L644 PolarHBondContact O-N 3.28Å; L644-Q646 VanDerWaalsContact C-N 3.31Å; L644-Q646 PolarHBondContact O-N 3.2Å; L644-V647 PolarHBondContact O-N 3.04Å; L644-W648 WeakPolarHBondContact O-CB 3.41Å; L644-W648 PolarHBondContact O-N 2.97Å
645R74.6Confident71.2Confident176 Ų176108.7 Ų108.766%0.66454%0.536SS*.Hα-helixtrans-62.6-37.1173.9-164.9178.9-159.5-148.33.4112.6L641 R643 Q649L641-R645 VanDerWaalsContact O-CB 3.29Å; L641-R645 WeakPolarHBondContact O-CB 3.44Å; L641-R645 PolarHBondContact O-N 3.01Å; R643-R645 VanDerWaalsContact C-N 3.29Å; R643-R645 PolarHBondContact O-N 2.93Å; R645-Q649 WeakPolarHBondContact O-CG 3.49Å; R645-Q649 PolarHBondContact O-N 3.1Å
646Q74.2Confident69.5Low132 Ų132110.4 Ų110.462%0.61754%0.54SS*.Hα-helixtrans-72.2-37.4177.7-165164.935.700112.2E642 R643 L644 Q649 S650E642-Q646 WeakPolarHBondContact O-CB 3.34Å; E642-Q646 PolarHBondContact O-N 3.19Å; R643-Q646 WeakPolarHBondContact O-CB 3.37Å; R643-Q646 PolarHBondContact O-N 3.46Å; L644-Q646 VanDerWaalsContact C-N 3.31Å; L644-Q646 PolarHBondContact O-N 3.2Å; Q646-Q649 PolarHBondContact O-N 3.45Å; Q646-S650 PolarHBondContact O-N 3.37Å; Q646-S650 PolarHBondContact O-OG 3.14Å
647V69.6Low68Low92 Ų92114.3 Ų114.356%0.55855%0.55SS**Hα-helixtrans-62.5-45.9170.51710000110.8R643 L644 Q649 S650 Q651R643-V647 WeakPolarHBondContact O-CG2 3.24Å; R643-V647 PolarHBondContact O-N 2.75Å; L644-V647 PolarHBondContact O-N 3.04Å; V647-Q649 PolarHBondContact O-N 3.15Å; V647-S650 WeakPolarHBondContact O-CB 3.34Å; V647-S650 PolarHBondContact O-N 3.23Å; V647-S650 VanDerWaalsContact O-N 3.14Å; V647-Q651 PolarHBondContact O-N 3.15Å
648W63.6Low67.1Low147 Ų147113.4 Ų113.456%0.55755%0.55SS*.Hα-helixtrans-60.5-43.2177.9-171.182.5000112.1L644 S650 Q651 E652L644-W648 WeakPolarHBondContact O-CB 3.41Å; L644-W648 PolarHBondContact O-N 2.97Å; W648-S650 PolarHBondContact O-N 2.95Å; W648-Q651 WeakPolarHBondContact O-CB 3.4Å; W648-Q651 PolarHBondContact O-N 3.22Å; W648-E652 HydrophobicContact CD2-CG 4.49Å; W648-E652 HydrophobicContact CE3-CG 4.26Å; W648-E652 HydrophobicContact CH2-CG 4.08Å; W648-E652 VanDerWaalsContact CH2-OE1 3.22Å; W648-E652 WeakPolarHBondContact CH2-OE1 3.43Å; W648-E652 HydrophobicContact CZ2-CG 4.32Å; W648-E652 HydrophobicContact CZ3-CG 4.05Å; W648-E652 WeakPolarHBondContact CZ3-OE2 3.44Å; W648-E652 PolarHBondContact O-N 2.89Å
649Q64.2Low65.6Low108 Ų108109.9 Ų109.951%0.50555%0.546SS..Hα-helixtrans-66.4-31.7173.9-75-173.2-38.900113.7R645 Q646 V647 S653R645-Q649 WeakPolarHBondContact O-CG 3.49Å; R645-Q649 PolarHBondContact O-N 3.1Å; Q646-Q649 PolarHBondContact O-N 3.45Å; V647-Q649 PolarHBondContact O-N 3.15Å; Q649-S653 WeakPolarHBondContact O-CB 3.46Å; Q649-S653 PolarHBondContact O-N 2.87Å; Q649-S653 PolarHBondContact O-OG 2.93Å
650S61.3Low63.9Low63 Ų63111.9 Ų111.944%0.44155%0.553SS.*Hα-helixtrans-67.8-40.7170.5-68.20000111.5Q646 V647 W648 S653 D654Q646-S650 PolarHBondContact O-N 3.37Å; Q646-S650 PolarHBondContact O-OG 3.14Å; V647-S650 WeakPolarHBondContact O-CB 3.34Å; V647-S650 PolarHBondContact O-N 3.23Å; V647-S650 VanDerWaalsContact O-N 3.14Å; W648-S650 PolarHBondContact O-N 2.95Å; S650-S653 WeakPolarHBondContact CA-OG 3.38Å; S650-S653 PolarHBondContact O-N 3.31Å; S650-S653 VanDerWaalsContact O-N 3.13Å; S650-S653 PolarHBondContact O-OG 2.92Å; S650-D654 PolarHBondContact O-N 3.46Å
651Q54Low62.8Low116 Ų116110.7 Ų110.754%0.54255%0.55SS..Hα-helixtrans-62-51.5178.1-163.7166.78.400111.5V647 W648 S653 D654 T655V647-Q651 PolarHBondContact O-N 3.15Å; W648-Q651 WeakPolarHBondContact O-CB 3.4Å; W648-Q651 PolarHBondContact O-N 3.22Å; Q651-S653 PolarHBondContact O-N 2.96Å; Q651-S653 VanDerWaalsContact O-N 3.09Å; Q651-D654 PolarHBondContact O-N 2.91Å; Q651-T655 PolarHBondContact O-N 3.37Å; Q651-T655 PolarHBondContact O-OG1 2.88Å; Q651-T655 VanDerWaalsContact O-OG1 3.04Å
652E53.2Low62.1Low98 Ų98110.8 Ų110.846%0.45855%0.547SS..Iπ-helixtrans-50.9-35171.7-76.8-168.7121.700112.9W648W648-E652 HydrophobicContact CD2-CG 4.49Å; W648-E652 HydrophobicContact CE3-CG 4.26Å; W648-E652 HydrophobicContact CH2-CG 4.08Å; W648-E652 VanDerWaalsContact CH2-OE1 3.22Å; W648-E652 WeakPolarHBondContact CH2-OE1 3.43Å; W648-E652 HydrophobicContact CZ2-CG 4.32Å; W648-E652 HydrophobicContact CZ3-CG 4.05Å; W648-E652 WeakPolarHBondContact CZ3-OE2 3.44Å; W648-E652 PolarHBondContact O-N 2.89Å
653S51.5Low61.3Low66 Ų66110.4 Ų110.446%0.46255%0.549SS..Iπ-helixtrans-80.7-29.4-173.272.80000114.6Q649 S650 Q651Q649-S653 WeakPolarHBondContact O-CB 3.46Å; Q649-S653 PolarHBondContact O-N 2.87Å; Q649-S653 PolarHBondContact O-OG 2.93Å; S650-S653 WeakPolarHBondContact CA-OG 3.38Å; S650-S653 PolarHBondContact O-N 3.31Å; S650-S653 VanDerWaalsContact O-N 3.13Å; S650-S653 PolarHBondContact O-OG 2.92Å; Q651-S653 PolarHBondContact O-N 2.96Å; Q651-S653 VanDerWaalsContact O-N 3.09Å
654D54.5Low60.3Low131 Ų131108.3 Ų108.370%0.70155%0.546SS*.Iπ-helixtrans-107.4-28.9-170.5-78.1-33.4000114.5S650 Q651S650-D654 PolarHBondContact O-N 3.46Å; Q651-D654 PolarHBondContact O-N 2.91Å
655T54.2Low60.2Low73 Ų73110.8 Ų110.845%0.44855%0.547SS..Iπ-helixtrans-94.4-50.5-175.855.90000114.3Q651 P658Q651-T655 PolarHBondContact O-N 3.37Å; Q651-T655 PolarHBondContact O-OG1 2.88Å; Q651-T655 VanDerWaalsContact O-OG1 3.04Å; T655-P658 WeakPolarHBondContact O-CD 3.48Å
656D52.4Low60.2Low99 Ų99109.8 Ų109.853%0.52955%0.548SS..Iπ-helixtrans-91-29.5-157.3-60.6-3.9000113A659 L660D656-A659 PolarHBondContact O-N 3.41Å; D656-L660 PolarHBondContact O-N 3.44Å
657R52.2Low60.3Low187 Ų187109.4 Ų109.471%0.70655%0.546SS*.Hα-helixtrans-59.2-40.2-176.5-160.1172.5-167160.47.4115.5L661R657-L661 WeakPolarHBondContact O-CD1 3.37Å; R657-L661 WeakPolarHBondContact O-CG 3.24Å
658P55.6Low60.7Low76 Ų76112.2 Ų112.249%0.49455%0.551SS.*Hα-helixtrans-71.6-41.2173.527-33.5000112.1T655 L661 E662T655-P658 WeakPolarHBondContact O-CD 3.48Å; P658-L661 PolarHBondContact O-N 3.25Å; P658-E662 PolarHBondContact O-N 2.9Å; P658-E662 VanDerWaalsContact O-N 3.1Å
659A57.1Low61.3Low61 Ų61109.5 Ų109.550%0.50455%0.547SS..Hα-helixtrans-63.9-45.5-176.700000112.2D656 L661 E662 L663D656-A659 PolarHBondContact O-N 3.41Å; A659-L661 VanDerWaalsContact C-N 3.3Å; A659-L661 PolarHBondContact O-N 3.49Å; A659-E662 PolarHBondContact O-N 3.46Å; A659-E662 VanDerWaalsContact O-N 3.15Å; A659-L663 PolarHBondContact O-N 3.19Å
660L54.3Low62.1Low110 Ų110106.9 Ų106.958%0.57654%0.54SS*.Hα-helixtrans-60.4-40.5177.3-154.484.5000111.7D656 E662 L663 E664D656-L660 PolarHBondContact O-N 3.44Å; L660-E662 VanDerWaalsContact C-N 3.32Å; L660-E662 PolarHBondContact O-N 3.49Å; L660-L663 PolarHBondContact O-N 2.91Å; L660-E664 WeakPolarHBondContact O-CG 3.26Å; L660-E664 PolarHBondContact O-N 3.34Å
661L58.4Low62.9Low80 Ų80108.7 Ų108.742%0.41954%0.544SS..Hα-helixtrans-71.3-22.5178.3-73174.4000113.7R657 P658 A659 R665R657-L661 WeakPolarHBondContact O-CD1 3.37Å; R657-L661 WeakPolarHBondContact O-CG 3.24Å; P658-L661 PolarHBondContact O-N 3.25Å; A659-L661 VanDerWaalsContact C-N 3.3Å; A659-L661 PolarHBondContact O-N 3.49Å; L661-R665 WeakPolarHBondContact O-CD 3.47Å; L661-R665 WeakPolarHBondContact O-CG 3.33Å
662E62.9Low64Low120 Ų120109.4 Ų109.456%0.56155%0.548SS*.Hα-helixtrans-81.3-38.7169.3-67.3-158.1142.500111.6P658 A659 L660 R665 F666P658-E662 PolarHBondContact O-N 2.9Å; P658-E662 VanDerWaalsContact O-N 3.1Å; A659-E662 PolarHBondContact O-N 3.46Å; A659-E662 VanDerWaalsContact O-N 3.15Å; L660-E662 VanDerWaalsContact C-N 3.32Å; L660-E662 PolarHBondContact O-N 3.49Å; E662-R665 WeakPolarHBondContact O-CB 3.4Å; E662-R665 PolarHBondContact O-N 3Å; E662-R665 VanDerWaalsContact O-N 3.15Å; E662-F666 WeakPolarHBondContact O-CD2 3.46Å; E662-F666 PolarHBondContact O-N 3.2Å
663L62.3Low65.5Low119 Ų119113 Ų11362%0.62356%0.557SS**Hα-helixtrans-61.9-48.4175.1-165.468.7000111.6A659 L660 R665 F666 E667A659-L663 PolarHBondContact O-N 3.19Å; L660-L663 PolarHBondContact O-N 2.91Å; L663-R665 PolarHBondContact O-N 3.44Å; L663-F666 PolarHBondContact O-N 3.27Å; L663-F666 VanDerWaalsContact O-N 3.14Å; L663-E667 WeakPolarHBondContact O-CB 3.05Å; L663-E667 PolarHBondContact O-N 3.14Å
664E63.7Low66.9Low111 Ų111115.5 Ų115.552%0.51956%0.56SS.*Hα-helixtrans-55.3-35.9172.7-78.7-173169.900112.4L660 K668L660-E664 WeakPolarHBondContact O-CG 3.26Å; L660-E664 PolarHBondContact O-N 3.34Å; E664-K668 WeakPolarHBondContact O-CB 3.44Å; E664-K668 PolarHBondContact O-N 3.33Å
665R71.3Confident68.2Low162 Ų162111.5 Ų111.561%0.61155%0.545SS*.Hα-helixtrans-72.4-42.7177.6-75.9169-177-174.41.5111.9L661 E662 L663 L669L661-R665 WeakPolarHBondContact O-CD 3.47Å; L661-R665 WeakPolarHBondContact O-CG 3.33Å; E662-R665 WeakPolarHBondContact O-CB 3.4Å; E662-R665 PolarHBondContact O-N 3Å; E662-R665 VanDerWaalsContact O-N 3.15Å; L663-R665 PolarHBondContact O-N 3.44Å; R665-L669 WeakPolarHBondContact O-CB 3.39Å; R665-L669 VanDerWaalsContact O-CG 3.24Å; R665-L669 WeakPolarHBondContact O-CG 3.46Å; R665-L669 PolarHBondContact O-N 2.97Å
666F74.1Confident69.7Low154 Ų154109.5 Ų109.568%0.67554%0.539SS*.Hα-helixtrans-63.8-45.8175.7-93.6-79.1000111.5E662 L663 L669 S670E662-F666 WeakPolarHBondContact O-CD2 3.46Å; E662-F666 PolarHBondContact O-N 3.2Å; L663-F666 PolarHBondContact O-N 3.27Å; L663-F666 VanDerWaalsContact O-N 3.14Å; F666-L669 PolarHBondContact O-N 3.17Å; F666-S670 WeakPolarHBondContact O-CB 3.16Å; F666-S670 PolarHBondContact O-N 2.74Å
667E75.6Confident71.1Confident124 Ų124110.4 Ų110.458%0.57954%0.54SS*.Hα-helixtrans-62.5-47.8176.3-172.2176.9-156.300111.2L663 L669 S670 L671L663-E667 WeakPolarHBondContact O-CB 3.05Å; L663-E667 PolarHBondContact O-N 3.14Å; E667-L669 VanDerWaalsContact C-N 3.31Å; E667-L669 PolarHBondContact O-N 3.09Å; E667-S670 WeakPolarHBondContact O-CA 3.38Å; E667-S670 WeakPolarHBondContact O-CB 3.22Å; E667-S670 PolarHBondContact O-N 3.3Å; E667-L671 HydrophobicContact CG-CD1 4.05Å; E667-L671 HydrophobicContact CG-CG 4.33Å; E667-L671 WeakPolarHBondContact O-CG 3.47Å; E667-L671 PolarHBondContact O-N 3.13Å
668K77.8Confident72.7Confident151 Ų151106.6 Ų106.666%0.65753%0.533SS*.Hα-helixtrans-58.6-39.7176.2-177.5172.6-177171.30113E664 Q672E664-K668 WeakPolarHBondContact O-CB 3.44Å; E664-K668 PolarHBondContact O-N 3.33Å; K668-Q672 VanDerWaalsContact O-CB 3.26Å; K668-Q672 WeakPolarHBondContact O-CB 3.42Å; K668-Q672 PolarHBondContact O-N 2.87Å
669L77.9Confident74Confident91 Ų91109.9 Ų109.948%0.47654%0.541SS..Hα-helixtrans-70.2-33.9175.2-73.8169.4000112.4R665 F666 E667 R673R665-L669 WeakPolarHBondContact O-CB 3.39Å; R665-L669 VanDerWaalsContact O-CG 3.24Å; R665-L669 WeakPolarHBondContact O-CG 3.46Å; R665-L669 PolarHBondContact O-N 2.97Å; F666-L669 PolarHBondContact O-N 3.17Å; E667-L669 VanDerWaalsContact C-N 3.31Å; E667-L669 PolarHBondContact O-N 3.09Å; L669-R673 WeakPolarHBondContact O-CG 3.2Å; L669-R673 PolarHBondContact O-N 3.12Å; L669-R673 VanDerWaalsContact O-N 3.16Å
670S79Confident75.4Confident53 Ų53111.6 Ų111.637%0.37154%0.542SS..Hα-helixtrans-65.6-49.6173.2-1740000111.3F666 E667 Q672 R673 K674F666-S670 WeakPolarHBondContact O-CB 3.16Å; F666-S670 PolarHBondContact O-N 2.74Å; E667-S670 WeakPolarHBondContact O-CA 3.38Å; E667-S670 WeakPolarHBondContact O-CB 3.22Å; E667-S670 PolarHBondContact O-N 3.3Å; S670-Q672 VanDerWaalsContact C-N 3.31Å; S670-Q672 PolarHBondContact O-N 3.09Å; S670-R673 PolarHBondContact O-N 3.45Å; S670-K674 PolarHBondContact O-N 2.81Å
671L78.4Confident77Confident100 Ų100112.2 Ų112.252%0.52454%0.542SS..Hα-helixtrans-61.4-37.3175.2-67.5174.5000112E667 K674 A675E667-L671 HydrophobicContact CG-CD1 4.05Å; E667-L671 HydrophobicContact CG-CG 4.33Å; E667-L671 WeakPolarHBondContact O-CG 3.47Å; E667-L671 PolarHBondContact O-N 3.13Å; L671-K674 PolarHBondContact O-N 3.49Å; L671-A675 WeakPolarHBondContact O-CB 3.43Å; L671-A675 PolarHBondContact O-N 3.18Å
672Q78.4Confident78.2Confident132 Ų132112.9 Ų112.962%0.61755%0.546SS*.Hα-helixtrans-67.4-33.2176.7-171.7172.84.900112.9K668 S670 G676K668-Q672 VanDerWaalsContact O-CB 3.26Å; K668-Q672 WeakPolarHBondContact O-CB 3.42Å; K668-Q672 PolarHBondContact O-N 2.87Å; S670-Q672 VanDerWaalsContact C-N 3.31Å; S670-Q672 PolarHBondContact O-N 3.09Å; Q672-G676 PolarHBondContact O-N 2.93Å
673R84.3Confident79.5Confident174 Ų174112.5 Ų112.566%0.65754%0.542SS*.Hα-helixtrans-68.1-50.5170.9-68.8-178.9-153.41677.7111.3L669 S670 A675 G676 E677L669-R673 WeakPolarHBondContact O-CG 3.2Å; L669-R673 PolarHBondContact O-N 3.12Å; L669-R673 VanDerWaalsContact O-N 3.16Å; S670-R673 PolarHBondContact O-N 3.45Å; R673-A675 PolarHBondContact O-N 2.92Å; R673-G676 WeakPolarHBondContact O-CA 3.33Å; R673-G676 PolarHBondContact O-N 3.3Å; R673-E677 WeakPolarHBondContact O-CG 3.38Å; R673-E677 PolarHBondContact O-N 2.79Å
674K80.3Confident80.8Confident118 Ų118110.7 Ų110.751%0.51354%0.536SS..Hα-helixtrans-56.6-36.9177.5-69.7179.6178.9-178.30112.3S670 L671 L678S670-K674 PolarHBondContact O-N 2.81Å; L671-K674 PolarHBondContact O-N 3.49Å; K674-L678 WeakPolarHBondContact O-CB 3.15Å; K674-L678 VanDerWaalsContact O-CG 3.24Å; K674-L678 WeakPolarHBondContact O-CG 3.25Å; K674-L678 PolarHBondContact O-N 3.04Å
675A82.8Confident81.8Confident46 Ų46110.4 Ų110.438%0.3854%0.537SS..Hα-helixtrans-64.1-44.8173.400000112.5L671 R673 L678 E679L671-A675 WeakPolarHBondContact O-CB 3.43Å; L671-A675 PolarHBondContact O-N 3.18Å; R673-A675 PolarHBondContact O-N 2.92Å; A675-L678 PolarHBondContact O-N 3.32Å; A675-E679 WeakPolarHBondContact O-CG 3.28Å; A675-E679 PolarHBondContact O-N 2.96Å
676G84.4Confident82.5Confident31 Ų31108.7 Ų108.732%0.3253%0.534SS..Hα-helixtrans-64.9-41.6175.800000113.2Q672 R673 L678 E679 D680Q672-G676 PolarHBondContact O-N 2.93Å; R673-G676 WeakPolarHBondContact O-CA 3.33Å; R673-G676 PolarHBondContact O-N 3.3Å; G676-L678 PolarHBondContact O-N 2.84Å; G676-E679 PolarHBondContact O-N 3.3Å; G676-D680 PolarHBondContact O-N 3.3Å
677E83.2Confident83.3Confident118 Ų118106 Ų10655%0.55153%0.527SS*.Hα-helixtrans-57.9-46.8174-70.8158.6-169.600110.9R673 E679 D680 E681R673-E677 WeakPolarHBondContact O-CG 3.38Å; R673-E677 PolarHBondContact O-N 2.79Å; E677-E679 PolarHBondContact O-N 3.41Å; E677-D680 PolarHBondContact O-N 3.35Å; E677-E681 WeakPolarHBondContact O-CG 3.36Å; E677-E681 PolarHBondContact O-N 3.42Å
678L84.1Confident84Confident107 Ų107104.9 Ų104.956%0.5653%0.525SS*.Hα-helixtrans-66.8-32.6175.2-71.4168.9000113.4K674 A675 G676 L682K674-L678 WeakPolarHBondContact O-CB 3.15Å; K674-L678 VanDerWaalsContact O-CG 3.24Å; K674-L678 WeakPolarHBondContact O-CG 3.25Å; K674-L678 PolarHBondContact O-N 3.04Å; A675-L678 PolarHBondContact O-N 3.32Å; G676-L678 PolarHBondContact O-N 2.84Å; L678-L682 WeakPolarHBondContact O-CB 3.4Å; L678-L682 PolarHBondContact O-N 3.05Å
679E83.4Confident84.6Confident145 Ų145106.7 Ų106.768%0.67853%0.527SS*.Hα-helixtrans-67.7-41174.7-79.6-175.7-178.500112.2A675 G676 E677 L682 K683A675-E679 WeakPolarHBondContact O-CG 3.28Å; A675-E679 PolarHBondContact O-N 2.96Å; G676-E679 PolarHBondContact O-N 3.3Å; E677-E679 PolarHBondContact O-N 3.41Å; E679-L682 PolarHBondContact O-N 3.27Å; E679-K683 WeakPolarHBondContact O-CB 3.37Å; E679-K683 PolarHBondContact O-N 3.02Å
680D87.8Confident85.2Confident97 Ų97105.3 Ų105.352%0.51953%0.529SS..Hα-helixtrans-71.8-37.7174.9-89.9-36000112.2G676 E677 L682 K683 V684G676-D680 PolarHBondContact O-N 3.3Å; E677-D680 PolarHBondContact O-N 3.35Å; D680-L682 PolarHBondContact O-N 3.43Å; D680-K683 WeakPolarHBondContact O-CB 3.48Å; D680-K683 PolarHBondContact O-N 3Å; D680-K683 IonicContact OD1-NZ 3.72Å; D680-K683 PolarHBondContact OD1-NZ 3.26Å; D680-V684 WeakPolarHBondContact O-CG2 3.49Å; D680-V684 PolarHBondContact O-N 2.97Å
681E86.9Confident85.8Confident123 Ų123107 Ų10758%0.57553%0.533SS*.Hα-helixtrans-59.5-45.8169.5-77-169.6167.300111.7E677 K683 V684 L685E677-E681 WeakPolarHBondContact O-CG 3.36Å; E677-E681 PolarHBondContact O-N 3.42Å; E681-K683 PolarHBondContact O-N 2.96Å; E681-V684 PolarHBondContact O-N 2.92Å; E681-L685 WeakPolarHBondContact O-CB 3.37Å; E681-L685 WeakPolarHBondContact O-CG 3.46Å; E681-L685 PolarHBondContact O-N 2.84Å
682L84.4Confident86.4Confident95 Ų95106.1 Ų106.150%0.49753%0.529SS..Hα-helixtrans-66.9-27.3180-166.6152.9000111.8L678 E679 D680 K686L678-L682 WeakPolarHBondContact O-CB 3.4Å; L678-L682 PolarHBondContact O-N 3.05Å; E679-L682 PolarHBondContact O-N 3.27Å; D680-L682 PolarHBondContact O-N 3.43Å; L682-K686 HydrophobicContact CD2-CD 4.23Å; L682-K686 WeakPolarHBondContact O-CG 3.37Å; L682-K686 PolarHBondContact O-N 2.96Å
683K89.1Confident87.1Confident112 Ų112104.1 Ų104.149%0.48752%0.52SS..Hα-helixtrans-70.2-49.6169.8-179.1-177.1170.2-166.70111.7E679 D680 E681 L685 K686 D687E679-K683 WeakPolarHBondContact O-CB 3.37Å; E679-K683 PolarHBondContact O-N 3.02Å; D680-K683 WeakPolarHBondContact O-CB 3.48Å; D680-K683 PolarHBondContact O-N 3Å; D680-K683 IonicContact OD1-NZ 3.72Å; D680-K683 PolarHBondContact OD1-NZ 3.26Å; E681-K683 PolarHBondContact O-N 2.96Å; K683-L685 PolarHBondContact O-N 3.36Å; K683-K686 WeakPolarHBondContact O-CA 3.45Å; K683-K686 WeakPolarHBondContact O-CB 3.49Å; K683-K686 PolarHBondContact O-N 3.28Å; K683-D687 PolarHBondContact O-N 2.96Å; K683-D687 VanDerWaalsContact O-N 3.07Å
684V90.5Very high87.5Confident81 Ų81102.8 Ų102.849%0.49152%0.515SS..Hα-helixtrans-56.5-38.8173172.60000111.3D680 E681 K686 D687 L688D680-V684 WeakPolarHBondContact O-CG2 3.49Å; D680-V684 PolarHBondContact O-N 2.97Å; E681-V684 PolarHBondContact O-N 2.92Å; V684-K686 VanDerWaalsContact C-N 3.33Å; V684-K686 PolarHBondContact O-N 3.11Å; V684-D687 PolarHBondContact O-N 2.89Å; V684-L688 HydrophobicContact CG1-CD1 3.85Å; V684-L688 HydrophobicContact CG1-CG 4.24Å; V684-L688 WeakPolarHBondContact O-CB 3.26Å; V684-L688 VanDerWaalsContact O-CG 3.31Å; V684-L688 WeakPolarHBondContact O-CG 3.32Å; V684-L688 PolarHBondContact O-N 3.02Å
685L84.1Confident88.2Confident105 Ų105101.5 Ų101.555%0.5551%0.513SS..Hα-helixtrans-68.9-22.9174.9-72172.7000114.4E681 K683 R689E681-L685 WeakPolarHBondContact O-CB 3.37Å; E681-L685 WeakPolarHBondContact O-CG 3.46Å; E681-L685 PolarHBondContact O-N 2.84Å; K683-L685 PolarHBondContact O-N 3.36Å; L685-R689 VanDerWaalsContact O-CB 3.26Å; L685-R689 WeakPolarHBondContact O-CB 3.32Å; L685-R689 PolarHBondContact O-N 3.35Å
686K86.8Confident88.7Confident126 Ų126104.7 Ų104.755%0.54852%0.519SS..Hα-helixtrans-75.3-44.8170.1-73.9160.1178.2156.40110.7L682 K683 V684 R689 A690L682-K686 HydrophobicContact CD2-CD 4.23Å; L682-K686 WeakPolarHBondContact O-CG 3.37Å; L682-K686 PolarHBondContact O-N 2.96Å; K683-K686 WeakPolarHBondContact O-CA 3.45Å; K683-K686 WeakPolarHBondContact O-CB 3.49Å; K683-K686 PolarHBondContact O-N 3.28Å; V684-K686 VanDerWaalsContact C-N 3.33Å; V684-K686 PolarHBondContact O-N 3.11Å; K686-R689 WeakPolarHBondContact O-CB 3.41Å; K686-R689 PolarHBondContact O-N 2.8Å; K686-R689 VanDerWaalsContact O-N 3.17Å; K686-A690 PolarHBondContact O-N 3.31Å
687D89.2Confident89.1Confident96 Ų96107.4 Ų107.451%0.51353%0.526SS..Hα-helixtrans-65.8-47.8-179-61.2-24.5000110.6K683 V684 R689 A690 D691K683-D687 PolarHBondContact O-N 2.96Å; K683-D687 VanDerWaalsContact O-N 3.07Å; V684-D687 PolarHBondContact O-N 2.89Å; D687-R689 PolarHBondContact O-N 2.94Å; D687-A690 WeakPolarHBondContact O-CB 3.49Å; D687-A690 PolarHBondContact O-N 3.5Å; D687-D691 PolarHBondContact O-N 2.99Å
688L90.4Very high89.6Confident102 Ų102105.4 Ų105.453%0.53452%0.516SS..Hα-helixtrans-58.3-33.3172-72.3174000112.8V684 N692V684-L688 HydrophobicContact CG1-CD1 3.85Å; V684-L688 HydrophobicContact CG1-CG 4.24Å; V684-L688 WeakPolarHBondContact O-CB 3.26Å; V684-L688 VanDerWaalsContact O-CG 3.31Å; V684-L688 WeakPolarHBondContact O-CG 3.32Å; V684-L688 PolarHBondContact O-N 3.02Å; L688-N692 WeakPolarHBondContact O-CB 3.36Å; L688-N692 PolarHBondContact O-N 3.47Å
689R90.6Very high90.1Very high189 Ų189104.6 Ų104.671%0.71351%0.512SS*.Hα-helixtrans-70.3-38.6175.4-175.7-174-59-167.6-0111.7L685 K686 D687 Q693L685-R689 VanDerWaalsContact O-CB 3.26Å; L685-R689 WeakPolarHBondContact O-CB 3.32Å; L685-R689 PolarHBondContact O-N 3.35Å; K686-R689 WeakPolarHBondContact O-CB 3.41Å; K686-R689 PolarHBondContact O-N 2.8Å; K686-R689 VanDerWaalsContact O-N 3.17Å; D687-R689 PolarHBondContact O-N 2.94Å; R689-Q693 WeakPolarHBondContact O-CB 3.45Å; R689-Q693 PolarHBondContact O-N 2.87Å
690A91.3Very high90.5Very high61 Ų6199.5 Ų99.550%0.50450%0.496SS..Hα-helixtrans-64.9-47.2175.700000111.1K686 D687 N692 Q693 R694K686-A690 PolarHBondContact O-N 3.31Å; D687-A690 WeakPolarHBondContact O-CB 3.49Å; D687-A690 PolarHBondContact O-N 3.5Å; A690-N692 PolarHBondContact O-N 2.92Å; A690-Q693 PolarHBondContact O-N 2.93Å; A690-R694 PolarHBondContact O-N 3.45Å
691D91.1Very high90.8Very high88 Ų8896.8 Ų96.847%0.47149%0.487SS..Hα-helixtrans-63.2-41.1175.1-84.1-25.9000112.2D687 Q693 R694 L695D687-D691 PolarHBondContact O-N 2.99Å; D691-Q693 VanDerWaalsContact C-N 3.26Å; D691-Q693 PolarHBondContact O-N 2.88Å; D691-R694 PolarHBondContact O-N 3.23Å; D691-L695 WeakPolarHBondContact O-CB 3.4Å; D691-L695 VanDerWaalsContact O-CG 3.32Å; D691-L695 WeakPolarHBondContact O-CG 3.4Å; D691-L695 PolarHBondContact O-N 3.44Å
692N91.6Very high91.1Very high82 Ų8295.7 Ų95.744%0.43948%0.484SS..Hα-helixtrans-65.5-30.2176.8-158.8-90.8000112.4L688 A690 K696L688-N692 WeakPolarHBondContact O-CB 3.36Å; L688-N692 PolarHBondContact O-N 3.47Å; A690-N692 PolarHBondContact O-N 2.92Å; N692-K696 WeakPolarHBondContact O-CD 3.49Å; N692-K696 VanDerWaalsContact O-CG 3.3Å; N692-K696 WeakPolarHBondContact O-CG 3.42Å; N692-K696 PolarHBondContact O-N 3.27Å; N692-K696 WeakPolarHBondContact OD1-CE 3.37Å; N692-K696 PolarHBondContact OD1-NZ 3.36Å
693Q92.2Very high91.4Very high90 Ų9096.6 Ų96.642%0.42149%0.488SS..Hα-helixtrans-73.6-46.4171.7-178.353.141.600111.6R689 A690 D691 L695 K696 D697R689-Q693 WeakPolarHBondContact O-CB 3.45Å; R689-Q693 PolarHBondContact O-N 2.87Å; A690-Q693 PolarHBondContact O-N 2.93Å; D691-Q693 VanDerWaalsContact C-N 3.26Å; D691-Q693 PolarHBondContact O-N 2.88Å; Q693-L695 VanDerWaalsContact C-N 3.29Å; Q693-L695 PolarHBondContact O-N 3.46Å; Q693-K696 WeakPolarHBondContact O-CA 3.3Å; Q693-K696 WeakPolarHBondContact O-CB 3.42Å; Q693-K696 PolarHBondContact O-N 3.38Å; Q693-D697 VanDerWaalsContact NE2-CG 3.25Å; Q693-D697 PolarHBondContact NE2-OD1 2.66Å; Q693-D697 VanDerWaalsContact NE2-OD1 3.14Å; Q693-D697 PolarHBondContact NE2-OD2 3.21Å; Q693-D697 PolarHBondContact O-N 2.91Å
694R93.9Very high91.6Very high147 Ų14798.6 Ų98.656%0.55549%0.493SS*.Hα-helixtrans-54.5-45.7174.5179.6-175.7161.4-150.1-13.9111.6A690 D691 K696 D697 E698A690-R694 PolarHBondContact O-N 3.45Å; D691-R694 PolarHBondContact O-N 3.23Å; R694-K696 VanDerWaalsContact C-N 3.29Å; R694-K696 PolarHBondContact O-N 3.04Å; R694-D697 PolarHBondContact O-N 3.13Å; R694-D697 VanDerWaalsContact O-N 3.16Å; R694-E698 HydrophobicContact CG-CG 4.49Å; R694-E698 IonicContact CZ-OE1 2.77Å; R694-E698 IonicContact NE-OE1 3.7Å; R694-E698 PolarHBondContact NE-OE1 3.24Å; R694-E698 IonicContact NH2-OE1 3.75Å; R694-E698 PolarHBondContact NH2-OE1 2.94Å; R694-E698 IonicContact NH2-OE2 3.2Å; R694-E698 WeakPolarHBondContact O-CB 3.4Å; R694-E698 WeakPolarHBondContact O-CG 3.35Å; R694-E698 PolarHBondContact O-N 3Å
695L93.9Very high91.6Very high91 Ų9198.4 Ų98.448%0.47649%0.492SS..Hα-helixtrans-62.8-32.3175.9-72.8170.5000112.6D691 Q693 N699D691-L695 WeakPolarHBondContact O-CB 3.4Å; D691-L695 VanDerWaalsContact O-CG 3.32Å; D691-L695 WeakPolarHBondContact O-CG 3.4Å; D691-L695 PolarHBondContact O-N 3.44Å; Q693-L695 VanDerWaalsContact C-N 3.29Å; Q693-L695 PolarHBondContact O-N 3.46Å; L695-N699 VanDerWaalsContact O-CB 3.29Å; L695-N699 WeakPolarHBondContact O-CB 3.24Å; L695-N699 PolarHBondContact O-N 2.91Å; L695-N699 PolarHBondContact O-ND2 2.91Å
696K92.8Very high91.9Very high113 Ų11398.7 Ų98.749%0.49149%0.492SS..Hα-helixtrans-68.9-41.4172.6-73.6160.3-177.7152.90111.6N692 Q693 R694 N699 A700N692-K696 WeakPolarHBondContact O-CD 3.49Å; N692-K696 VanDerWaalsContact O-CG 3.3Å; N692-K696 WeakPolarHBondContact O-CG 3.42Å; N692-K696 PolarHBondContact O-N 3.27Å; N692-K696 WeakPolarHBondContact OD1-CE 3.37Å; N692-K696 PolarHBondContact OD1-NZ 3.36Å; Q693-K696 WeakPolarHBondContact O-CA 3.3Å; Q693-K696 WeakPolarHBondContact O-CB 3.42Å; Q693-K696 PolarHBondContact O-N 3.38Å; R694-K696 VanDerWaalsContact C-N 3.29Å; R694-K696 PolarHBondContact O-N 3.04Å; K696-N699 PolarHBondContact O-N 2.92Å; K696-A700 VanDerWaalsContact O-CB 3.28Å; K696-A700 WeakPolarHBondContact O-CB 3.48Å; K696-A700 PolarHBondContact O-N 3.42Å
697D93.8Very high91.9Very high87 Ų8795.9 Ų95.947%0.46549%0.489SS..Hα-helixtrans-70-37.2179.5-66.2-40.7000112.1Q693 R694 A700 A701Q693-D697 VanDerWaalsContact NE2-CG 3.25Å; Q693-D697 PolarHBondContact NE2-OD1 2.66Å; Q693-D697 VanDerWaalsContact NE2-OD1 3.14Å; Q693-D697 PolarHBondContact NE2-OD2 3.21Å; Q693-D697 PolarHBondContact O-N 2.91Å; R694-D697 PolarHBondContact O-N 3.13Å; R694-D697 VanDerWaalsContact O-N 3.16Å; D697-A700 PolarHBondContact O-N 3.46Å; D697-A701 WeakPolarHBondContact O-CB 3.39Å; D697-A701 PolarHBondContact O-N 2.97Å
698E94Very high91.9Very high77 Ų7799.1 Ų99.136%0.3650%0.498SS..Hα-helixtrans-65-46.5170.3-73.3177.9179.900111.6R694 A700 A701 L702R694-E698 HydrophobicContact CG-CG 4.49Å; R694-E698 IonicContact CZ-OE1 2.77Å; R694-E698 IonicContact NE-OE1 3.7Å; R694-E698 PolarHBondContact NE-OE1 3.24Å; R694-E698 IonicContact NH2-OE1 3.75Å; R694-E698 PolarHBondContact NH2-OE1 2.94Å; R694-E698 IonicContact NH2-OE2 3.2Å; R694-E698 WeakPolarHBondContact O-CB 3.4Å; R694-E698 WeakPolarHBondContact O-CG 3.35Å; R694-E698 PolarHBondContact O-N 3Å; E698-A700 VanDerWaalsContact C-N 3.33Å; E698-A700 PolarHBondContact O-N 3.5Å; E698-A701 WeakPolarHBondContact O-CA 3.31Å; E698-A701 WeakPolarHBondContact O-CB 3.45Å; E698-A701 PolarHBondContact O-N 3.43Å; E698-A701 VanDerWaalsContact O-N 3.1Å; E698-L702 WeakPolarHBondContact O-CG 3.29Å; E698-L702 PolarHBondContact O-N 2.99Å
699N93.7Very high91.6Very high89 Ų89101 Ų10148%0.47651%0.508SS..Hα-helixtrans-60.6-40.9173.1-83.3-63.4000112L695 K696 A701 L702 I703L695-N699 VanDerWaalsContact O-CB 3.29Å; L695-N699 WeakPolarHBondContact O-CB 3.24Å; L695-N699 PolarHBondContact O-N 2.91Å; L695-N699 PolarHBondContact O-ND2 2.91Å; K696-N699 PolarHBondContact O-N 2.92Å; N699-A701 VanDerWaalsContact C-N 3.3Å; N699-A701 PolarHBondContact O-N 3.06Å; N699-L702 PolarHBondContact O-N 2.87Å; N699-I703 WeakPolarHBondContact O-CB 3.48Å; N699-I703 VanDerWaalsContact O-CG1 3.26Å; N699-I703 WeakPolarHBondContact O-CG1 3.38Å; N699-I703 PolarHBondContact O-N 3.49Å
700A92.6Very high91.1Very high39 Ų3996.9 Ų96.932%0.32251%0.508SS..Hα-helixtrans-66.8-29.9174.800000112.5K696 D697 E698 R704K696-A700 VanDerWaalsContact O-CB 3.28Å; K696-A700 WeakPolarHBondContact O-CB 3.48Å; K696-A700 PolarHBondContact O-N 3.42Å; D697-A700 PolarHBondContact O-N 3.46Å; E698-A700 VanDerWaalsContact C-N 3.33Å; E698-A700 PolarHBondContact O-N 3.5Å; A700-R704 VanDerWaalsContact O-CG 3.31Å; A700-R704 WeakPolarHBondContact O-CG 3.45Å; A700-R704 PolarHBondContact O-N 2.98Å; A700-R704 PolarHBondContact O-NE 2.93Å
701A92.9Very high89.6Confident40 Ų40106.9 Ų106.933%0.33153%0.533SS..Hα-helixtrans-69.5-46.7169.400000111.6D697 E698 N699 I703 R704 V705D697-A701 WeakPolarHBondContact O-CB 3.39Å; D697-A701 PolarHBondContact O-N 2.97Å; E698-A701 WeakPolarHBondContact O-CA 3.31Å; E698-A701 WeakPolarHBondContact O-CB 3.45Å; E698-A701 PolarHBondContact O-N 3.43Å; E698-A701 VanDerWaalsContact O-N 3.1Å; N699-A701 VanDerWaalsContact C-N 3.3Å; N699-A701 PolarHBondContact O-N 3.06Å; A701-I703 PolarHBondContact O-N 3.17Å; A701-R704 CarbonylContact O-C 3.55Å; A701-R704 WeakPolarHBondContact O-CB 3.39Å; A701-R704 PolarHBondContact O-N 3.25Å; A701-R704 VanDerWaalsContact O-N 3.11Å; A701-V705 WeakPolarHBondContact O-CG2 3.24Å; A701-V705 PolarHBondContact O-N 2.92Å
702L93.5Very high89.5Confident100 Ų100107.9 Ų107.952%0.52454%0.536SS..Hα-helixtrans-59.6-45.1176.7-70.4172.1000112E698 N699 R704 V705 I706E698-L702 WeakPolarHBondContact O-CG 3.29Å; E698-L702 PolarHBondContact O-N 2.99Å; N699-L702 PolarHBondContact O-N 2.87Å; L702-R704 VanDerWaalsContact C-N 3.28Å; L702-R704 PolarHBondContact O-N 3.07Å; L702-V705 PolarHBondContact O-N 3.4Å; L702-I706 WeakPolarHBondContact O-CB 3.43Å; L702-I706 VanDerWaalsContact O-CG1 3.3Å; L702-I706 WeakPolarHBondContact O-CG1 3.49Å; L702-I706 PolarHBondContact O-N 3.02Å
703I91.4Very high89.4Confident114 Ų114109.2 Ų109.259%0.58554%0.541SS*.Hα-helixtrans-58.1-40.6174.4-69.8163.4000111.1N699 A701 S707N699-I703 WeakPolarHBondContact O-CB 3.48Å; N699-I703 VanDerWaalsContact O-CG1 3.26Å; N699-I703 WeakPolarHBondContact O-CG1 3.38Å; N699-I703 PolarHBondContact O-N 3.49Å; A701-I703 PolarHBondContact O-N 3.17Å; I703-S707 WeakPolarHBondContact O-CB 3.48Å; I703-S707 PolarHBondContact O-N 3.04Å
704R92.4Very high89.3Confident153 Ų153110.3 Ų110.358%0.57755%0.548SS*.Hα-helixtrans-69-31175.4-75.2175.6-70.8175-1.1113.2A700 A701 L702 K708A700-R704 VanDerWaalsContact O-CG 3.31Å; A700-R704 WeakPolarHBondContact O-CG 3.45Å; A700-R704 PolarHBondContact O-N 2.98Å; A700-R704 PolarHBondContact O-NE 2.93Å; A701-R704 CarbonylContact O-C 3.55Å; A701-R704 WeakPolarHBondContact O-CB 3.39Å; A701-R704 PolarHBondContact O-N 3.25Å; A701-R704 VanDerWaalsContact O-N 3.11Å; L702-R704 VanDerWaalsContact C-N 3.28Å; L702-R704 PolarHBondContact O-N 3.07Å; R704-K708 WeakPolarHBondContact O-CG 3.47Å; R704-K708 PolarHBondContact O-N 3.41Å
705V92.4Very high89Confident78 Ų78108.1 Ų108.147%0.47355%0.548SS..Hα-helixtrans-73.5-48.2173.7173.20000110.7A701 L702 S707 K708 L709A701-V705 WeakPolarHBondContact O-CG2 3.24Å; A701-V705 PolarHBondContact O-N 2.92Å; L702-V705 PolarHBondContact O-N 3.4Å; V705-S707 VanDerWaalsContact C-N 3.3Å; V705-S707 PolarHBondContact O-N 3.25Å; V705-K708 CarbonylContact O-C 3.59Å; V705-K708 WeakPolarHBondContact O-CA 3.41Å; V705-K708 WeakPolarHBondContact O-CB 3.28Å; V705-K708 PolarHBondContact O-N 3.46Å; V705-L709 HydrophobicContact CG1-CD1 3.84Å; V705-L709 HydrophobicContact CG1-CG 4.34Å; V705-L709 WeakPolarHBondContact O-CG 3.33Å; V705-L709 PolarHBondContact O-N 3.25Å
706I90Very high88.7Confident110 Ų110109.2 Ų109.256%0.56455%0.552SS**Hα-helixtrans-57.6-44.1175.8-66.5163.8000110.4L702 K708 L709 S710L702-I706 WeakPolarHBondContact O-CB 3.43Å; L702-I706 VanDerWaalsContact O-CG1 3.3Å; L702-I706 WeakPolarHBondContact O-CG1 3.49Å; L702-I706 PolarHBondContact O-N 3.02Å; I706-K708 PolarHBondContact O-N 3.29Å; I706-L709 PolarHBondContact O-N 3.49Å; I706-L709 VanDerWaalsContact O-N 3.16Å; I706-S710 VanDerWaalsContact O-CB 3.23Å; I706-S710 WeakPolarHBondContact O-CB 3.26Å; I706-S710 PolarHBondContact O-N 2.76Å
707S87.3Confident88.4Confident67 Ų67108.9 Ų108.947%0.46956%0.556SS.*Hα-helixtrans-64.8-23.4176.5-174.30000114I703 V705I703-S707 WeakPolarHBondContact O-CB 3.48Å; I703-S707 PolarHBondContact O-N 3.04Å; V705-S707 VanDerWaalsContact C-N 3.3Å; V705-S707 PolarHBondContact O-N 3.25Å
708K88.4Confident88Confident164 Ų164110.5 Ų110.571%0.71356%0.563SS**Hα-helixtrans-85.8-29.2172.1-77.1177.7176.6-175.60113.7R704 V705 I706R704-K708 WeakPolarHBondContact O-CG 3.47Å; R704-K708 PolarHBondContact O-N 3.41Å; V705-K708 CarbonylContact O-C 3.59Å; V705-K708 WeakPolarHBondContact O-CA 3.41Å; V705-K708 WeakPolarHBondContact O-CB 3.28Å; V705-K708 PolarHBondContact O-N 3.46Å; I706-K708 PolarHBondContact O-N 3.29Å
709L84.3Confident87.6Confident143 Ų143113.1 Ų113.175%0.74958%0.578SS**Hα-helixtrans-83.6-16.2175.6-67.1174000112.8V705 I706 R711V705-L709 HydrophobicContact CG1-CD1 3.84Å; V705-L709 HydrophobicContact CG1-CG 4.34Å; V705-L709 WeakPolarHBondContact O-CG 3.33Å; V705-L709 PolarHBondContact O-N 3.25Å; I706-L709 PolarHBondContact O-N 3.49Å; I706-L709 VanDerWaalsContact O-N 3.16Å; L709-R711 VanDerWaalsContact C-N 3.32Å
710S79.6Confident87.1Confident102 Ų102115.1 Ų115.171%0.71359%0.587SS**THydrogen-bonded Turntrans-94.221.3174.6-172.60000112.8I706I706-S710 VanDerWaalsContact O-CB 3.23Å; I706-S710 WeakPolarHBondContact O-CB 3.26Å; I706-S710 PolarHBondContact O-N 2.76Å
711R60Low86.6Confident271 Ų271122 Ų122100%1.02361%0.611SS**  trans-132.10176.3-80.1-173.8174.6-147.51110.2L709L709-R711 VanDerWaalsContact C-N 3.32Å

Retrieved 711 of 711 residues in 291.3 ms (Link to these results)