A0A077ZFQ0_TRITR Loading...

Fidgetin protein 1 like

AlphaFold DB , UniProt , Accession A0A077ZFQ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 547 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
1M42.3Very low47.5Very low235 Ų235149.3 Ų149.3100%1.15879%0.792SS**  01090-79.9-176.3156.200107.2
2P41.7Very low48.6Very low133 Ų133145.1 Ų145.186%0.86477%0.77SS**PPolyproline II helixtrans-80.3138.7-179.632.2-28.4000110.4
3L39Very low49.9Very low172 Ų172136.7 Ų136.790%0.90174%0.739SS**PPolyproline II helixtrans-70.9136.4-179.3-66.7157000110.6
4I46.6Very low51.3Low157 Ų157134.4 Ų134.481%0.80573%0.732SS**PPolyproline II helixtrans-83128.7174.4-62.2169.7000107.9
5P47.1Very low52.1Low111 Ų111133 Ų13372%0.72172%0.716SS**PPolyproline II helixtrans-78.3153.3177.20.816.8000112.1
6D44.5Very low53.3Low143 Ų143129.4 Ų129.477%0.76570%0.696SS**PPolyproline II helixtrans-55.9130.5-170.5-58.7-59.4000115.3E8D6-E8 VanDerWaalsContact C-N 3.34Å; D6-E8 PolarHBondContact O-N 3.22Å
7M50.1Low54.6Low142 Ų142128.1 Ų128.170%0.769%0.688SS**THydrogen-bonded Turntrans-82.72.3178.8-76.7-170.4-60.700114.6D9M7-D9 PolarHBondContact O-N 3.42Å
8E49.2Very low55.3Low156 Ų156128.8 Ų128.873%0.72968%0.68SS**Hα-helixtrans-69.7-19.7-175.7-67.7-171.2160.100113.4D6 N12D6-E8 VanDerWaalsContact C-N 3.34Å; D6-E8 PolarHBondContact O-N 3.22Å; E8-N12 PolarHBondContact O-ND2 3.42Å
9D52.9Low56.4Low134 Ų134128.2 Ų128.272%0.71767%0.671SS**Hα-helixtrans-78.9-28.8-179.2-74.1-27.4000113.6M7 G13M7-D9 PolarHBondContact O-N 3.42Å; D9-G13 PolarHBondContact O-N 3.3Å; D9-G13 VanDerWaalsContact O-N 3.11Å
10E51.7Low57.3Low156 Ų156128.5 Ų128.573%0.72967%0.669SS**Hα-helixtrans-75.3-37.7-177.3-74.3-165.7161.500113G13 V14E10-G13 PolarHBondContact O-N 3.29Å; E10-V14 PolarHBondContact O-N 3.43Å; E10-V14 VanDerWaalsContact O-N 3.16Å
11V57.4Low58.2Low103 Ų103127.6 Ų127.662%0.62466%0.664SS**Hα-helixtrans-69.1-37.9179.7-178.50000111.1G13 V14 F15V11-G13 VanDerWaalsContact C-N 3.33Å; V11-V14 PolarHBondContact O-N 3.47Å; V11-F15 PolarHBondContact O-N 3.33Å
12N60.8Low59.6Low99 Ų99120.5 Ų120.553%0.52963%0.628SS.*Hα-helixtrans-66.2-37.1172.9-73.2-44000111.4E8 V14 F15 D16E8-N12 PolarHBondContact O-ND2 3.42Å; N12-V14 PolarHBondContact O-N 3.34Å; N12-F15 PolarHBondContact O-N 3.43Å; N12-D16 PolarHBondContact O-N 3.24Å
13G65.1Low61.3Low36 Ų36116.5 Ų116.537%0.37161%0.607SS.*Hα-helixtrans-59.1-43.9175.500000113.6D9 E10 V11 D16 L17D9-G13 PolarHBondContact O-N 3.3Å; D9-G13 VanDerWaalsContact O-N 3.11Å; E10-G13 PolarHBondContact O-N 3.29Å; V11-G13 VanDerWaalsContact C-N 3.33Å; G13-D16 PolarHBondContact O-N 3.4Å; G13-L17 WeakPolarHBondContact O-CB 3.2Å; G13-L17 PolarHBondContact O-N 3.09Å
14V69.6Low63.1Low104 Ų104114.9 Ų114.963%0.6359%0.592SS**Hα-helixtrans-66.4-39.3176.5178.60000111.3E10 V11 N12 L17 W18E10-V14 PolarHBondContact O-N 3.43Å; E10-V14 VanDerWaalsContact O-N 3.16Å; V11-V14 PolarHBondContact O-N 3.47Å; N12-V14 PolarHBondContact O-N 3.34Å; V14-L17 PolarHBondContact O-N 3.23Å; V14-W18 PolarHBondContact O-N 3.43Å
15F62.9Low64.3Low114 Ų114113.7 Ų113.750%0.558%0.581SS.*Hα-helixtrans-66.9-38.1179.1-126.2-85.6000112.5V11 N12 W18 K19V11-F15 PolarHBondContact O-N 3.33Å; N12-F15 PolarHBondContact O-N 3.43Å; F15-W18 PolarHBondContact O-N 3.35Å; F15-K19 PolarHBondContact O-N 3.48Å
16D71.9Confident65.4Low75 Ų75113.8 Ų113.840%0.40158%0.575SS.*Hα-helixtrans-74.4-36.4177.2-78.8-16.9000112.4N12 G13 W18 K19 Q20N12-D16 PolarHBondContact O-N 3.24Å; G13-D16 PolarHBondContact O-N 3.4Å; D16-W18 PolarHBondContact O-N 3.03Å; D16-K19 PolarHBondContact O-N 3.22Å; D16-K19 IonicContact OD1-NZ 3.43Å; D16-K19 PolarHBondContact OD1-NZ 2.9Å; D16-Q20 VanDerWaalsContact O-CG 3.31Å; D16-Q20 WeakPolarHBondContact O-CG 3.32Å; D16-Q20 PolarHBondContact O-N 3.05Å
17L75Confident66.3Low107 Ų107113.8 Ų113.856%0.5657%0.57SS**Hα-helixtrans-56.5-40.9167.9-104.6155.3000111.5G13 V14 Q20 L21G13-L17 WeakPolarHBondContact O-CB 3.2Å; G13-L17 PolarHBondContact O-N 3.09Å; V14-L17 PolarHBondContact O-N 3.23Å; L17-Q20 PolarHBondContact O-N 3.1Å; L17-L21 WeakPolarHBondContact O-CB 3.25Å; L17-L21 PolarHBondContact O-N 3.04Å
18W67Low66.7Low141 Ų141112.9 Ų112.953%0.53456%0.564SS.*Hα-helixtrans-67.6-42.7178-171.184.2000112.7V14 F15 D16 Q20 L21 H22V14-W18 PolarHBondContact O-N 3.43Å; F15-W18 PolarHBondContact O-N 3.35Å; D16-W18 PolarHBondContact O-N 3.03Å; W18-Q20 VanDerWaalsContact C-N 3.34Å; W18-Q20 PolarHBondContact O-N 3.5Å; W18-L21 PolarHBondContact O-N 3.49Å; W18-H22 WeakPolarHBondContact O-CB 3.22Å; W18-H22 PolarHBondContact O-N 3.3Å
19K76.2Confident66.8Low118 Ų118108.4 Ų108.451%0.51355%0.554SS.*Hα-helixtrans-59.9-43.1173.2-72.5176.9-164.7151.20111.8F15 D16 H22 A23F15-K19 PolarHBondContact O-N 3.48Å; D16-K19 PolarHBondContact O-N 3.22Å; D16-K19 IonicContact OD1-NZ 3.43Å; D16-K19 PolarHBondContact OD1-NZ 2.9Å; K19-H22 PolarHBondContact O-N 3.16Å; K19-A23 PolarHBondContact O-N 2.7Å
20Q75.7Confident66.5Low133 Ų133104.9 Ų104.962%0.62155%0.549SS*.Hα-helixtrans-63.2-43.6178.1-71.8177.623.300111.7D16 L17 W18 H22 A23 K24D16-Q20 VanDerWaalsContact O-CG 3.31Å; D16-Q20 WeakPolarHBondContact O-CG 3.32Å; D16-Q20 PolarHBondContact O-N 3.05Å; L17-Q20 PolarHBondContact O-N 3.1Å; W18-Q20 VanDerWaalsContact C-N 3.34Å; W18-Q20 PolarHBondContact O-N 3.5Å; Q20-H22 VanDerWaalsContact C-N 3.33Å; Q20-H22 PolarHBondContact O-N 3.29Å; Q20-A23 PolarHBondContact O-N 3.42Å; Q20-K24 WeakPolarHBondContact O-CB 3.37Å; Q20-K24 PolarHBondContact O-N 3.11Å
21L76.4Confident66.5Low111 Ų111102.9 Ų102.958%0.58155%0.548SS*.Hα-helixtrans-63.6-38.4176.8-116.8140.7000112.1L17 W18 K24 K25L17-L21 WeakPolarHBondContact O-CB 3.25Å; L17-L21 PolarHBondContact O-N 3.04Å; W18-L21 PolarHBondContact O-N 3.49Å; L21-K24 PolarHBondContact O-N 3.04Å; L21-K25 PolarHBondContact O-N 3.36Å; L21-K25 VanDerWaalsContact O-N 3.1Å
22H70.6Confident65.9Low85 Ų85101 Ų10139%0.39454%0.54SS..Hα-helixtrans-68.8-42.5177.6-161.3-83.2000112.3W18 K19 Q20 K24 K25 L26W18-H22 WeakPolarHBondContact O-CB 3.22Å; W18-H22 PolarHBondContact O-N 3.3Å; K19-H22 PolarHBondContact O-N 3.16Å; Q20-H22 VanDerWaalsContact C-N 3.33Å; Q20-H22 PolarHBondContact O-N 3.29Å; H22-K24 VanDerWaalsContact C-N 3.32Å; H22-K24 PolarHBondContact O-N 3.46Å; H22-K25 PolarHBondContact O-N 3.01Å; H22-L26 PolarHBondContact O-N 3.49Å; H22-L26 VanDerWaalsContact O-N 3.1Å
23A78.7Confident65Low50 Ų50101.1 Ų101.141%0.41354%0.544SS..Hα-helixtrans-61.5-40.2174.700000111.9K19 Q20 L26 Q27K19-A23 PolarHBondContact O-N 2.7Å; Q20-A23 PolarHBondContact O-N 3.42Å; A23-L26 PolarHBondContact O-N 3.39Å; A23-Q27 PolarHBondContact O-N 3.03Å; A23-Q27 VanDerWaalsContact O-N 3.11Å
24K76.4Confident63.9Low137 Ų137106.1 Ų106.160%0.59657%0.568SS**Hα-helixtrans-67.1-37178.3-151.2175.6-173.5178.60112.5Q20 L21 H22 Q27 Q28Q20-K24 WeakPolarHBondContact O-CB 3.37Å; Q20-K24 PolarHBondContact O-N 3.11Å; L21-K24 PolarHBondContact O-N 3.04Å; H22-K24 VanDerWaalsContact C-N 3.32Å; H22-K24 PolarHBondContact O-N 3.46Å; K24-Q27 PolarHBondContact O-N 3.48Å; K24-Q28 WeakPolarHBondContact O-CG 3.46Å; K24-Q28 PolarHBondContact O-N 3.35Å; K24-Q28 VanDerWaalsContact O-N 3.13Å
25K71Confident62.5Low132 Ų132105.3 Ų105.357%0.57457%0.571SS**Hα-helixtrans-67.9-38.2174.3-99.8-171.1173.3-1730113L21 H22 Q28 A29L21-K25 PolarHBondContact O-N 3.36Å; L21-K25 VanDerWaalsContact O-N 3.1Å; H22-K25 PolarHBondContact O-N 3.01Å; K25-Q28 PolarHBondContact O-N 3.43Å; K25-A29 PolarHBondContact O-N 3.28Å
26L70.6Confident61.4Low113 Ų113108.3 Ų108.359%0.59258%0.58SS**Hα-helixtrans-65.6-38.1175.4-79.5162.4000112.1H22 A23 A29 G30H22-L26 PolarHBondContact O-N 3.49Å; H22-L26 VanDerWaalsContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 3.39Å; L26-A29 PolarHBondContact O-N 3.03Å; L26-G30 PolarHBondContact O-N 2.74Å
27Q63.5Low59.9Low143 Ų143113.2 Ų113.267%0.66860%0.6SS**Hα-helixtrans-65.9-39.8174.5-73.7178.4-9.100112.4A23 K24 G30 T31A23-Q27 PolarHBondContact O-N 3.03Å; A23-Q27 VanDerWaalsContact O-N 3.11Å; K24-Q27 PolarHBondContact O-N 3.48Å; Q27-G30 PolarHBondContact O-N 3.32Å; Q27-T31 PolarHBondContact O-OG1 2.75Å
28Q57.5Low58.3Low123 Ų123119.7 Ų119.758%0.57562%0.617SS**Hα-helixtrans-70.5-32178.2-73.4179.3-9.600113.3K24 K25 G30 T31K24-Q28 WeakPolarHBondContact O-CG 3.46Å; K24-Q28 PolarHBondContact O-N 3.35Å; K24-Q28 VanDerWaalsContact O-N 3.13Å; K25-Q28 PolarHBondContact O-N 3.43Å; Q28-G30 VanDerWaalsContact C-N 3.35Å; Q28-T31 PolarHBondContact O-OG1 3.03Å
29A52.2Low57.4Low62 Ų62117.2 Ų117.251%0.51262%0.617SS.*Hα-helixtrans-72.1-26.6176.100000113.1K25 L26K25-A29 PolarHBondContact O-N 3.28Å; L26-A29 PolarHBondContact O-N 3.03Å
30G47.6Very low55.9Low60 Ų60116.1 Ų116.162%0.61962%0.617SS**Hα-helixtrans-76.1-18.2177.800000115L26 Q27 Q28L26-G30 PolarHBondContact O-N 2.74Å; Q27-G30 PolarHBondContact O-N 3.32Å; Q28-G30 VanDerWaalsContact C-N 3.35Å
31T50.7Low54.5Low114 Ų114114.5 Ų114.570%0.69962%0.621SS**SBendtrans-101-7.2-175.547.80000114.8Q27 Q28Q27-T31 PolarHBondContact O-OG1 2.75Å; Q28-T31 PolarHBondContact O-OG1 3.03Å
32S43.9Very low53.1Low64 Ų64112.8 Ų112.845%0.44862%0.622SS.*SBendtrans-98.42.2-174.657.90000115.5T34S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 3.37Å
33T41.9Very low51.8Low102 Ų102111.2 Ų111.263%0.62662%0.624SS**THydrogen-bonded Turntrans-81.8-2.9-168.2-20.80000114.8
34T42.8Very low50.1Low141 Ų141116.2 Ų116.287%0.86564%0.639SS**THydrogen-bonded Turntrans-1063.4-179.940.10000115S32S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 3.37Å
35A40.6Very low49Very low86 Ų86114.5 Ų114.571%0.71164%0.64SS**SBendtrans-117.9-4.1-177.800000115.1
36R38.7Very low47.8Very low178 Ų178113.9 Ų113.967%0.67264%0.639SS**SBendtrans-101.1-9.3-167.7-151.6166.8178.3156.8-1.2115.3R38R36-R38 VanDerWaalsContact C-N 3.32Å; R36-R38 PolarHBondContact O-N 3.09Å
37E41.1Very low46.6Very low178 Ų178116.9 Ų116.983%0.83264%0.643SS**THydrogen-bonded Turntrans-82.62.7-177.2-72.1179154.500115
38R40.5Very low45.8Very low243 Ų243112.9 Ų112.992%0.91763%0.634SS**THydrogen-bonded Turntrans-109.7-3.6-179.5-77.7-176.6176.7164.9-0.2115.4R36R36-R38 VanDerWaalsContact C-N 3.32Å; R36-R38 PolarHBondContact O-N 3.09Å
39T49.8Very low45.6Very low88 Ų88111 Ų11154%0.5463%0.634SS.*SBendtrans-107.3-15.8-176.350.40000114.5
40D44Very low45.4Very low96 Ų96115.6 Ų115.651%0.51364%0.638SS.*Hα-helixtrans-81.6-22.2-168.6-67.4-10.3000113.2A42D40-A42 VanDerWaalsContact C-N 3.33Å; D40-A42 PolarHBondContact O-N 2.72Å
41S46.5Very low45.2Very low98 Ų98120.9 Ų120.969%0.68564%0.639SS**Hα-helixtrans-76.8-12.1177.6-51.30000114.9
42A46.2Very low45.1Very low75 Ų75120.4 Ų120.462%0.6263%0.633SS**Hα-helixtrans-93.3-28.4177.800000112.9D40D40-A42 VanDerWaalsContact C-N 3.33Å; D40-A42 PolarHBondContact O-N 2.72Å
43A44.4Very low45.3Very low52 Ų52122.6 Ų122.643%0.4364%0.64SS.*Hα-helixtrans-80-29-178.800000113.2V45 W47A43-V45 VanDerWaalsContact C-N 3.34Å; A43-W47 PolarHBondContact O-N 3.05Å
44E43.3Very low45.6Very low155 Ų155124 Ų12472%0.72464%0.639SS**Hα-helixtrans-68.4-30.3176.8-96.8-176.9150.500113.2A48E44-A48 PolarHBondContact O-N 3.45Å
45V52.3Low45.4Very low102 Ų102126.8 Ų126.862%0.61863%0.633SS**Hα-helixtrans-76.7-34.1179.1-176.80000111.5A43A43-V45 VanDerWaalsContact C-N 3.34Å
46E46.5Very low45.7Very low118 Ų118130.1 Ų130.155%0.55163%0.632SS**Hα-helixtrans-76.1-32.1-180-160.7-179.4171.500112.8R50E46-R50 PolarHBondContact O-N 3.38Å
47W44.4Very low46Very low177 Ų177128.5 Ų128.567%0.6763%0.632SS**Hα-helixtrans-72.5-33.7175.5-101.561.9000113.4A43 R50A43-W47 PolarHBondContact O-N 3.05Å; W47-R50 PolarHBondContact O-N 3.3Å
48A47.9Very low45.9Very low59 Ų59128 Ų12849%0.48863%0.63SS.*Hα-helixtrans-66.1-40.2176.600000112E44 R50E44-A48 PolarHBondContact O-N 3.45Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 3.07Å
49S52Low46Very low82 Ų82122.2 Ų122.257%0.57362%0.622SS**Hα-helixtrans-71.4-21.6177.5-68.90000114.6
50R48.2Very low45.6Very low159 Ų159122.4 Ų122.460%0.663%0.627SS**Hα-helixtrans-77.9-36.8176.5-83.1-174.6174.9159.35.8113.5E46 W47 A48 D52 N53 E54E46-R50 PolarHBondContact O-N 3.38Å; W47-R50 PolarHBondContact O-N 3.3Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 3.07Å; R50-D52 VanDerWaalsContact C-N 3.3Å; R50-D52 PolarHBondContact O-N 3.07Å; R50-N53 PolarHBondContact O-N 3.02Å; R50-E54 PolarHBondContact O-N 3.25Å
51R43.5Very low45.3Very low171 Ų171124.2 Ų124.265%0.64564%0.641SS**Hα-helixtrans-65.4-31.7177.3-83.9-167.9-158.4157.76.9113.7N53 R55R51-N53 VanDerWaalsContact C-N 3.32Å; R51-R55 PolarHBondContact O-N 3.03Å
52D48.4Very low44.6Very low105 Ų105124.7 Ų124.756%0.56164%0.644SS**Hα-helixtrans-77.1-18.6-179-77.2-20.8000113.2R50R50-D52 VanDerWaalsContact C-N 3.3Å; R50-D52 PolarHBondContact O-N 3.07Å
53N49Very low43.9Very low110 Ų110126.1 Ų126.159%0.58865%0.65SS**Hα-helixtrans-83-37.2172.6-95.5-2.7000112.5R50 R51 R55 K56R50-N53 PolarHBondContact O-N 3.02Å; R51-N53 VanDerWaalsContact C-N 3.32Å; N53-R55 PolarHBondContact O-N 2.95Å; N53-K56 PolarHBondContact O-N 3.49Å
54E46.5Very low43.6Very low131 Ų131132.9 Ų132.961%0.61267%0.67SS**Hα-helixtrans-68.9-32.6178.8-74.5175.5162.600112.6R50 K56 E57R50-E54 PolarHBondContact O-N 3.25Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 2.84Å; E54-E57 PolarHBondContact O-N 3.26Å
55R39.9Very low43.2Very low199 Ų199132.6 Ų132.675%0.75167%0.668SS**Hα-helixtrans-69.7-18.1173.9-96.1-176.3-168.3174.54.3114.9R51 N53R51-R55 PolarHBondContact O-N 3.03Å; N53-R55 PolarHBondContact O-N 2.95Å
56K46.2Very low42.4Very low157 Ų157134.1 Ų134.168%0.68367%0.672SS**Hα-helixtrans-91.3-17.4178.6-73.7-178.5-179.9173.50113.1N53 E54N53-K56 PolarHBondContact O-N 3.49Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 2.84Å
57E45Very low41.6Very low144 Ų144135.6 Ų135.667%0.67368%0.684SS**Hα-helixtrans-87.2-30176.6-72.1-175.516100112.6E54 T59 S60E54-E57 PolarHBondContact O-N 3.26Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.23Å; E57-S60 PolarHBondContact O-OG 2.83Å
58E40.4Very low41.1Very low166 Ų166132.2 Ų132.278%0.77669%0.688SS**THydrogen-bonded Turntrans-76.8-8.7-177.8-68.1-176.2158.700115
59T41.6Very low40.4Very low123 Ų123134.4 Ų134.476%0.75570%0.699SS**THydrogen-bonded Turntrans-98.54.818049.50000114.7E57E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.23Å
60S40.7Very low39.4Very low92 Ų92140.9 Ų140.964%0.64372%0.717SS**SBendtrans-114.23.8-175.962.10000116E57E57-S60 PolarHBondContact O-OG 2.83Å
61T39.1Very low38.6Very low134 Ų134136.6 Ų136.682%0.82272%0.723SS**  trans-118.567.1-178.4-31.40000112
62S30.3Very low37.9Very low107 Ų107138.4 Ų138.475%0.74874%0.736SS**  trans-122.7138.8163.2-171.50000108.3
63S32.1Very low36.8Very low105 Ų105145 Ų14573%0.73475%0.752SS**  trans99.3102.3168.5-41.20000117.2
64K38.6Very low35.7Very low194 Ų194148 Ų14884%0.84376%0.763SS**  trans153.8140.3153-86.3164.8-172.7-177.10106.3
65Q35Very low35Very low150 Ų150150.6 Ų150.670%0.70178%0.775SS**  cis-177.3142.7-8.5-121.5177-55.800104.5
66L34.9Very low34.3Very low134 Ų134148 Ų14870%0.70278%0.776SS**  trans72.1105.4141.4-61.1165.3000121.5
67D29.7Very low33.4Very low148 Ų148149.9 Ų149.979%0.79179%0.785SS**  49.9127.5115.3-74.2-19.9000123.1
68S33.9Very low32.4Very low107 Ų107150.2 Ų150.275%0.74879%0.786SS**  trans110.8118.4132.682.50000119.2
69S32.5Very low31.8Very low104 Ų104148 Ų14873%0.72778%0.783SS**  trans88.8142.9135.1-50.30000120.8
70F32.1Very low31.1Very low218 Ų218149.7 Ų149.796%0.95678%0.781SS**  trans75.3126.4173.2-84.4-102.9000116.6
71G30.5Very low30.4Very low70 Ų70151.6 Ų151.672%0.72279%0.791SS**  cis159.8133.810.400000108
72K28.6Very low29.9Very low209 Ų209151.3 Ų151.391%0.90979%0.794SS**  trans-45.6140-176.3-70169.7171.4176.20115.4
73R27Very low29.9Very low242 Ų242155.4 Ų155.491%0.91380%0.798SS**  trans-159105.3137.2-118.9173.9-179168.60.4111.5
74E25.5Very low29.9Very low174 Ų174157.1 Ų157.181%0.81380%0.799SS**  trans-71.4141.5160.1-68.6174.614400109.5
75Q31.4Very low29.5Very low185 Ų185154 Ų15486%0.86479%0.791SS**  trans-136.2112.2151.3-77-163.7-8.200109.2
76N26.1Very low29.4Very low144 Ų144153.4 Ų153.477%0.7779%0.792SS**  trans-68.7141.8166.9-71.6-42.5000110.2
77F26.9Very low29.2Very low198 Ų198152.9 Ų152.987%0.86879%0.79SS**  trans-124.5100161.4-140.9-94.3000108.7V79F77-V79 HydrophobicContact CD1-CG2 3.76Å; F77-V79 HydrophobicContact CE1-CG2 3.79Å
78E24.2Very low29.3Very low150 Ų150152 Ų15270%0.70179%0.786SS**  trans-102124.8172-173-177.8167.900107.6K80E78-K80 WeakPolarHBondContact OE1-CE 3.5Å; E78-K80 IonicContact OE1-NZ 3.84Å
79V27.9Very low29.3Very low119 Ų119154.6 Ų154.672%0.72179%0.79SS**  trans-112.9111.9174.5-179.70000108.7F77F77-V79 HydrophobicContact CD1-CG2 3.76Å; F77-V79 HydrophobicContact CE1-CG2 3.79Å
80K25.5Very low29.2Very low160 Ų160155.9 Ų155.970%0.69679%0.793SS**PPolyproline II helixtrans-94144.6169.1-75.3178.9177.9167.30110.5E78E78-K80 WeakPolarHBondContact OE1-CE 3.5Å; E78-K80 IonicContact OE1-NZ 3.84Å
81P27.1Very low29.1Very low131 Ų131156.7 Ų156.785%0.85179%0.79SS**PPolyproline II helixtrans-85.5135.5177.533.8-30.1000111.2
82S28.2Very low29.1Very low128 Ų128159 Ų15990%0.89579%0.792SS**PPolyproline II helixtrans-93130.8170.5-71.70000111
83K29Very low29.3Very low193 Ų193157.6 Ų157.684%0.83979%0.794SS**PPolyproline II helixtrans-88.1140.1160.9-69.7177.2175.7178.30108.5
84N32.1Very low29.5Very low141 Ų141149.4 Ų149.475%0.75479%0.785SS**  trans-176114.4145.1-93.1-10.9000107.7
85I30.7Very low29.6Very low130 Ų130144.7 Ų144.767%0.66778%0.782SS**  92.813780.2-79.3175.7000110.6
86N33.3Very low29.5Very low136 Ų136145.6 Ų145.673%0.72778%0.784SS**  trans87.6137.4172.8-59.8-18.1000116.4
87D31.3Very low29.6Very low123 Ų123147 Ų14766%0.65879%0.786SS**  cis-175.2150.9-15.7-121.9-9000106.9
88N32.2Very low29.4Very low131 Ų131144.1 Ų144.170%0.70179%0.788SS**  trans73.9132.2147.7-63.6-38.6000122.3
89L32.4Very low29.8Very low160 Ų160141.7 Ų141.784%0.83879%0.794SS**  trans107.2105137.6-82.6149.6000119.7
90V31.3Very low30Very low131 Ų131140.9 Ų140.979%0.79479%0.794SS**  trans104.998.1144.4-1630000118.7
91R30.2Very low30.2Very low236 Ų236141.7 Ų141.789%0.89180%0.8SS**  trans-18.1159154.9-66.5-178.9-177.2-161.70.9121
92P29.5Very low30.5Very low117 Ų117143.4 Ų143.476%0.7680%0.801SS**  trans-93.5151.3-178.138.7-33.1000113.5
93L34Very low30.8Very low181 Ų181143 Ų14395%0.94879%0.793SS**  trans-142.8127.5161-67.4172.3000104.4
94G31.1Very low30.8Very low70 Ų70137.5 Ų137.572%0.72279%0.792SS**  124.8118.651.100000104.6
95G26.7Very low30.7Very low74 Ų74136.1 Ų136.176%0.76379%0.793SS**  trans-63.4158.3-164.700000115.2
96F29.3Very low30.7Very low204 Ų204141.6 Ų141.690%0.89581%0.807SS**  trans-141139.8159.4-100.1-82.8000112
97Q29.2Very low30.5Very low174 Ų174143.9 Ų143.981%0.81381%0.813SS**  trans-73.4158.6-171.3-69.7156.7-50.600113.3
98C22.9Very low30.7Very low137 Ų137143.8 Ų143.893%0.92682%0.822SS**  trans-50.9135.1154.8-81.30000111.1
99A31.7Very low30.8Very low99 Ų99142.1 Ų142.182%0.81883%0.827SS**  trans-127.6111.9164.900000110.1
100S33.1Very low31Very low102 Ų102146.7 Ų146.771%0.71383%0.833SS**  trans-68.5151.6149.746.50000110.5
101E29.2Very low31.3Very low178 Ų178150.3 Ų150.383%0.83284%0.838SS**  trans72.9109160-63.2177.1176.100119.9
102L34Very low31.5Very low167 Ų167143.5 Ų143.587%0.87483%0.832SS**  trans-143.798.1144.8-76.8174.2000106.5
103T33.6Very low31.9Very low119 Ų119146 Ų14673%0.7383%0.834SS**  52.7110.986.366.30000115.9
104G28.9Very low32.1Very low78 Ų78145.9 Ų145.980%0.80483%0.828SS**  81.2131.3109.600000120.7
105S30.3Very low32.3Very low111 Ų111146 Ų14678%0.77683%0.829SS**  trans95.8103.6152.1-157.60000118.4
106Y31.7Very low32.8Very low245 Ų245149.5 Ų149.596%0.96183%0.83SS**  trans-146.1102.4144.4-94.7-80.7000108.8
107E28.4Very low33.4Very low184 Ų184147 Ų14786%0.8683%0.825SS**  trans-140.6117.1165.6-153.9166.7-147.500108
108S34.6Very low33.7Very low122 Ų122142.1 Ų142.185%0.85382%0.821SS**  trans-165.1118.1163.3-870000112.8
109A34.1Very low34.4Very low96 Ų96144 Ų14479%0.79382%0.822SS**  trans73.9102.4137.700000120.6
110R37.4Very low34.6Very low255 Ų255143 Ų14396%0.96282%0.82SS**  trans-137.7129.6132.1-77-164.4173.9168-1.7112
111K36.7Very low34.7Very low208 Ų208149.1 Ų149.190%0.90483%0.828SS**  trans-53.3132.3-179.2-71.4169.3172.3178.20113.1
112A35Very low35.2Very low92 Ų92149.2 Ų149.276%0.7683%0.826SS**  83.411490.900000114
113E38.8Very low35.2Very low171 Ų171148.6 Ų148.680%0.79982%0.823SS**  170.4131122.9-90.3-169.5170.500111.4
114H37.5Very low35.4Very low178 Ų178150 Ų15082%0.82483%0.831SS**  trans37.9131.2149.5-52.186.8000119.5
115G35.5Very low35.9Very low73 Ų73150.3 Ų150.375%0.75383%0.827SS**  cis142.7123.820.100000108.6
116N37.5Very low36.3Very low147 Ų147150.6 Ų150.679%0.78683%0.826SS**  trans76.1119.4154.1-96.9-3.9000124.4
117I41.6Very low36.5Very low151 Ų151145.6 Ų145.677%0.77482%0.821SS**  79.2123.9127.2-61.6163.2000119.6
118G36.3Very low36.9Very low71 Ų71141.5 Ų141.573%0.73281%0.812SS**  trans14894137.200000117.4
119N35.6Very low36.8Very low178 Ų178143 Ų14395%0.95281%0.811SS**  trans-39.2149.5168.2-79.7-34.9000117.8
120G36.2Very low36.7Very low76 Ų76144.3 Ų144.378%0.78481%0.814SS**  trans171.969.4155.600000119.6
121R35.1Very low36.6Very low232 Ų232141.5 Ų141.588%0.87581%0.812SS**  trans37.5118.9130.9-113.1174.7-174.6169.62.4121.2
122K40.1Very low36.3Very low180 Ų180135 Ų13578%0.78380%0.803SS**  137.4111.4119.9-76.9177.5-178.1-179.60116
123N33.6Very low36.1Very low154 Ų154140.1 Ų140.182%0.82481%0.809SS**  trans20.6129.6137.8-54.7-13.5000120.9
124V37.7Very low35.7Very low147 Ų147141 Ų14189%0.89181%0.81SS**  -167139.2112.9171.10000108.6
125A40.1Very low35.4Very low86 Ų86138.1 Ų138.171%0.71181%0.807SS**  trans-105.6-166.3-17600000111.9
126P38.3Very low35Very low117 Ų117143.3 Ų143.376%0.7681%0.809SS**  -131.7158-78.638.4-22.4000114.1
127T36.5Very low34.4Very low139 Ų139141.6 Ų141.685%0.85381%0.809SS**  trans-163.5142.1163.751.30000107.4
128S36.9Very low33.7Very low98 Ų98143.6 Ų143.669%0.68581%0.808SS**  cis-172.8150.72.440.60000107
129D32.4Very low33.3Very low155 Ų155144.6 Ų144.683%0.82981%0.809SS**  trans67.388.1151.5-55.3-22.3000121.5
130S31.3Very low32.8Very low122 Ų122147.1 Ų147.185%0.85381%0.806SS**  trans-97.999.5152.957.30000110.5G132S130-G132 PolarHBondContact O-N 2.93Å
131Q35.8Very low32.4Very low197 Ų197153.3 Ų153.392%0.92181%0.811SS**  trans-83.294.6164.3-74.6-166.40.300109.8
132G30.9Very low32.1Very low70 Ų70150.7 Ų150.772%0.72281%0.809SS**PPolyproline II helixtrans-75.1117.516900000111S130 K134S130-G132 PolarHBondContact O-N 2.93Å; G132-K134 PolarHBondContact O-N 2.93Å
133F29.6Very low31.6Very low200 Ų200151.7 Ų151.788%0.87781%0.813SS**PPolyproline II helixtrans-68.4116.6175.6-153.4-94.2000110.2
134K31.7Very low31.3Very low190 Ų190149.8 Ų149.883%0.82681%0.81SS**PPolyproline II helixtrans-89.4124.8171.2-71.1-177.7179.2178.70109.4G132G132-K134 PolarHBondContact O-N 2.93Å
135P31.7Very low31.3Very low117 Ų117149 Ų14976%0.7681%0.808SS**PPolyproline II helixtrans-71.7134.3172.827.4-29.5000110.4S137P135-S137 PolarHBondContact O-N 3.04Å
136F27Very low31.1Very low182 Ų182150.5 Ų150.580%0.79881%0.814SS**PPolyproline II helixtrans-61119.3169.5-105.9-96.5000109.8Y138F136-Y138 HydrophobicContact CD1-CE2 4.42Å
137S24.7Very low30.8Very low111 Ų111153.9 Ų153.978%0.77682%0.819SS**PPolyproline II helixtrans-92.6118.8168.8760000110.1P135P135-S137 PolarHBondContact O-N 3.04Å
138Y26.9Very low30.8Very low194 Ų194154.3 Ų154.376%0.76182%0.822SS**  trans-91.5110.6161.6-78.3-86.7000108.6F136F136-Y138 HydrophobicContact CD1-CE2 4.42Å
139A27.2Very low30.5Very low92 Ų92153.3 Ų153.376%0.7683%0.826SS**  trans-89.2104.8171.600000109.5K141A139-K141 PolarHBondContact O-N 3.28Å
140W24.7Very low30.5Very low231 Ų231149.7 Ų149.788%0.87583%0.826SS**  trans-79.3101.1164.5-87.280000109Q142W140-Q142 PolarHBondContact O-N 3.34Å
141K27.5Very low30.6Very low205 Ų205148 Ų14889%0.89182%0.819SS**  trans-82.398164.7-95.7-177.7175.2176.30108.6A139A139-K141 PolarHBondContact O-N 3.28Å
142Q29.9Very low30.5Very low177 Ų177145.7 Ų145.783%0.82781%0.813SS**  trans-83.2113.7161-111.1-173.8-7.600108.9W140W140-Q142 PolarHBondContact O-N 3.34Å
143K28.6Very low30.6Very low202 Ų202149.7 Ų149.788%0.87881%0.813SS**  trans-89.5108.8176.1-151.8178.4-172.8-174.90107.3
144C28.9Very low30.9Very low113 Ų113146.3 Ų146.376%0.76480%0.803SS**PPolyproline II helixtrans-77.7129167.6-64.50000108.8
145P36.8Very low31Very low130 Ų130143.5 Ų143.584%0.84480%0.801SS**PPolyproline II helixtrans-83.9121.1165.51.617000109.3
146S36.7Very low31.1Very low118 Ų118142.1 Ų142.183%0.82580%0.799SS**PPolyproline II helixtrans-70.9147168.449.20000111.9
147E30.4Very low31.3Very low188 Ų188142.4 Ų142.488%0.87980%0.801SS**PPolyproline II helixtrans-50.6136.8175.1-56.5170.9149.900114.8
148V36.6Very low31.7Very low149 Ų149142.1 Ų142.190%0.90380%0.799SS**  trans-166.2115136.5-171.10000103.9
149G31.8Very low32.1Very low76 Ų76138.4 Ų138.478%0.78480%0.796SS**  107119.158.400000109.1
150G31.9Very low32.4Very low80 Ų80141.8 Ų141.883%0.82580%0.796SS**  trans121.492.2157.500000119.4
151A33.4Very low32.8Very low85 Ų85139.1 Ų139.170%0.70279%0.791SS**  56.7125.4129.200000123.5
152N34.2Very low33Very low149 Ų149133 Ų13380%0.79778%0.779SS**  trans68.5147137.8-62.5-1.1000119.3
153E32.5Very low33.1Very low155 Ų155131.3 Ų131.372%0.72478%0.775SS**  cis177.8160.9-15.4-165-166.5163.600104.2
154I35.3Very low33.5Very low128 Ų128129.6 Ų129.666%0.65678%0.776SS**  trans89.694.9153.4-47.7-176.1000120.8
155V33.7Very low33.6Very low132 Ų132128.4 Ų128.480%0.877%0.774SS**  65.3136.1114178.20000123.4
156A34.5Very low33.5Very low87 Ų87128.5 Ų128.572%0.71977%0.772SS**  trans76.5146.8147.700000118.6
157K31.3Very low33.3Very low189 Ų189130.5 Ų130.582%0.82277%0.768SS**  cis177.2158.5-12-124.9178.8179.5177.80103.8
158S33.5Very low33.3Very low105 Ų105126.8 Ų126.873%0.73475%0.754SS**  trans67147.1154.934.80000117.8
159T34.6Very low32.9Very low116 Ų116128.7 Ų128.771%0.71275%0.751SS**  cis-178.3151.2-7.822.50000105.5
160E34.2Very low32.9Very low162 Ų162135 Ų13576%0.75776%0.756SS**  trans65.4152.5151.3-71.1-177.6151.800118.5
161K32.2Very low32.8Very low175 Ų175140 Ų14076%0.76176%0.764SS**  cis-173.2152.2-22.2-120.8176-177.8164.30103.3
162A32.4Very low32.8Very low78 Ų78140.5 Ų140.565%0.64577%0.767SS**  trans77.7121.7150.800000120.1
163D32.7Very low32.6Very low140 Ų140144 Ų14475%0.74977%0.771SS**  trans74.9103.5138.7-49.1-18.3000119.2
164N35.1Very low32.5Very low166 Ų166148 Ų14889%0.88878%0.779SS**  -173.2135.3106-88.9-40.6000112
165A31.6Very low32.3Very low88 Ų88149 Ų14973%0.72779%0.786SS**  trans-70.3164.3175.200000111.7
166V34.3Very low32.2Very low132 Ų132147 Ų14780%0.878%0.784SS**  trans95.1121.6164.2-172.30000114.6
167E32.5Very low31.9Very low160 Ų160149 Ų14975%0.74879%0.791SS**  trans97.3108.4158.6-84.4-176.7157.600121.1
168N30.8Very low31.8Very low110 Ų110150.5 Ų150.559%0.58879%0.791SS**  92.393.6128.2-68.6-32.6000118.8
169K29Very low31.7Very low190 Ų190150.5 Ų150.583%0.82679%0.791SS**  52.676.7122.6-69.2175.7175171.20115.3
170K32.1Very low31.6Very low207 Ų207152.5 Ų152.590%0.980%0.796SS**  trans-166.327.2158.2-111.8161.6-170.8-176.50117.6
171L30.1Very low31.3Very low187 Ų187148.3 Ų148.398%0.97978%0.782SS**  trans-123.769.3174.9-94.2125.7000111.7
172A32.8Very low31.3Very low95 Ų95144.7 Ų144.779%0.78578%0.78SS**SBendtrans-138.610.9171.400000113.7
173Y29.6Very low31.2Very low223 Ų223149.6 Ų149.688%0.87579%0.787SS**SBendtrans-131.444-169.8-115.6-87.4000113.9
174R30.6Very low31.2Very low237 Ų237147.6 Ų147.689%0.89478%0.784SS**SBendtrans-141.711.5174.9-117.9-177.7134.1103.80.3117.2
175N31.9Very low30.8Very low150 Ų150147.6 Ų147.680%0.80278%0.78SS**SBendtrans-119.612.7174.2-77.8-17.4000114.3C177N175-C177 VanDerWaalsContact C-N 3.3Å; N175-C177 PolarHBondContact O-N 3.47Å
176A30.4Very low30.8Very low90 Ų90150.1 Ų150.174%0.74477%0.772SS**SBendtrans-86.915.9-178.400000114.9
177C28.5Very low30.5Very low129 Ų129148.3 Ų148.387%0.87277%0.765SS**  trans-13464.5174-65.80000110.1N175N175-C177 VanDerWaalsContact C-N 3.3Å; N175-C177 PolarHBondContact O-N 3.47Å
178R29.2Very low30.3Very low221 Ų221147 Ų14783%0.83477%0.772SS**SBendtrans-130.5131.5159.1-77.4-171.1176.7-156.2-1.3108I180R178-I180 PolarHBondContact O-N 2.99Å
179S31.6Very low30.3Very low104 Ų104146.8 Ų146.873%0.72778%0.778SS**  trans-37.6118.3-177.848.30000113.2P181S179-P181 VanDerWaalsContact O-CD 3.32Å; S179-P181 WeakPolarHBondContact O-CD 3.43Å
180I31.3Very low30.3Very low159 Ų159147.5 Ų147.582%0.81578%0.781SS**  trans-71.6116167.6-60.7168000106.5R178 S182R178-I180 PolarHBondContact O-N 2.99Å; I180-S182 PolarHBondContact O-N 2.96Å
181P28.9Very low30.6Very low73 Ų73146.7 Ų146.747%0.47478%0.778SS.*  trans-66.2126.5164.1-6.923.8000106.6S179 F183S179-P181 VanDerWaalsContact O-CD 3.32Å; S179-P181 WeakPolarHBondContact O-CD 3.43Å; P181-F183 VanDerWaalsContact C-N 3.29Å; P181-F183 PolarHBondContact O-N 3.41Å
182S32.4Very low30.8Very low100 Ų100144 Ų14470%0.69977%0.771SS**  trans-62.591.9174.359.30000109.3I180 S184I180-S182 PolarHBondContact O-N 2.96Å; S182-S184 PolarHBondContact O-N 3.04Å
183F30.1Very low30.9Very low181 Ų181147.8 Ų147.879%0.79478%0.777SS**  trans-6898.2170.3-115.1-93.5000108.1P181 M185P181-F183 VanDerWaalsContact C-N 3.29Å; P181-F183 PolarHBondContact O-N 3.41Å; F183-M185 VanDerWaalsContact C-N 3.35Å; F183-M185 PolarHBondContact O-N 2.97Å
184S32.4Very low30.8Very low98 Ų98140.9 Ų140.969%0.68577%0.774SS**  trans-69.594.9163.1168.90000108.3S182 Y186S182-S184 PolarHBondContact O-N 3.04Å; S184-Y186 PolarHBondContact O-N 3.46Å
185M27.4Very low31Very low166 Ų166137.5 Ų137.582%0.81877%0.772SS**  trans-70.972170.7-78.8-108.5-83.900111.2F183F183-M185 VanDerWaalsContact C-N 3.35Å; F183-M185 PolarHBondContact O-N 2.97Å
186Y30.4Very low31Very low141 Ų141136.6 Ų136.655%0.55377%0.772SS**  trans-13783.7166.4-73.9-81.9000110.9S184 R484S184-Y186 PolarHBondContact O-N 3.46Å; Y186-R484 VanDerWaalsContact OH-CZ 3.24Å; Y186-R484 PolarHBondContact OH-NE 2.75Å; Y186-R484 PolarHBondContact OH-NH2 2.97Å
187S29.3Very low31Very low93 Ų93137.4 Ų137.465%0.6577%0.772SS**  trans-155.4112.5144.4-1770000107C189S187-C189 PolarHBondContact O-N 3.33Å
188C27.6Very low31.1Very low134 Ų134143 Ų14391%0.90578%0.775SS**  trans-74.871.2170.4-174.50000108.6
189C30.4Very low31.3Very low104 Ų104140.6 Ų140.670%0.70378%0.779SS**  trans-121.2110166-76.10000108.8S187 K191S187-C189 PolarHBondContact O-N 3.33Å; C189-K191 PolarHBondContact O-N 3.34Å
190K28.9Very low31.3Very low205 Ų205144.3 Ų144.389%0.89178%0.782SS**  trans-58103175.7-64.4176177.5176.50110.6
191K37.9Very low31.8Very low191 Ų191145.9 Ų145.983%0.8378%0.783SS**  trans-148.7117151.2-67.5-169.1-177.5174.90109C189C189-K191 PolarHBondContact O-N 3.34Å
192P34.4Very low32.2Very low130 Ų130146.7 Ų146.784%0.84479%0.788SS**  trans-75.4131.6173.729.6-29.1000109.5G194P192-G194 PolarHBondContact O-N 3.45Å
193L35Very low32.5Very low175 Ų175148 Ų14892%0.91679%0.794SS**  trans-58.8128.8166-80.8161.6000109L195L193-L195 PolarHBondContact O-N 3.1Å
194G28.1Very low33.1Very low77 Ų77145.9 Ų145.979%0.79480%0.796SS**  trans-60.1114.4-179.800000112.1P192P192-G194 PolarHBondContact O-N 3.45Å
195L34.8Very low33.4Very low166 Ų166150.9 Ų150.987%0.86981%0.806SS**  trans-133.6106.2150.7-13597000107.1L193L193-L195 PolarHBondContact O-N 3.1Å
196V32.8Very low33.6Very low132 Ų132148.3 Ų148.380%0.880%0.804SS**  trans19106.5153.5-166.70000117.2
197S29.1Very low33.9Very low106 Ų106151 Ų15174%0.74182%0.821SS**  trans40.5100.6142.2-540000119.6
198R31.9Very low34Very low248 Ų248151.3 Ų151.394%0.93682%0.823SS**  172.7125.5127.2-94.7163.7176.4179.7-0.5109.8F200R198-F200 PolarHBondContact O-N 3.48Å; R198-F200 VanDerWaalsContact O-N 3.15Å
199D33.1Very low34.2Very low169 Ų169151.9 Ų151.990%0.90481%0.813SS**  trans-56.5112.4178.7-64.7-52000111.8K201D199-K201 PolarHBondContact O-N 3.1Å
200F31.8Very low34.3Very low183 Ų183157 Ų15780%0.80382%0.818SS**  trans-87.1104.7171.1-174.6-97.7000109.5R198 P202R198-F200 PolarHBondContact O-N 3.48Å; R198-F200 VanDerWaalsContact O-N 3.15Å; F200-P202 HydrophobicContact CE1-CB 4.44Å
201K41.9Very low34.2Very low191 Ų191154.9 Ų154.983%0.8382%0.816SS**PPolyproline II helixtrans-94.3119167.1-89.9-179.8175.41760109.4D199D199-K201 PolarHBondContact O-N 3.1Å
202P36.5Very low33.8Very low90 Ų90150.9 Ų150.958%0.58481%0.812SS**PPolyproline II helixtrans-68.5146.5173.127.9-32000110.8F200 V204F200-P202 HydrophobicContact CE1-CB 4.44Å; P202-V204 PolarHBondContact O-N 3.37Å
203P38.4Very low33.8Very low128 Ų128154 Ų15483%0.83181%0.812SS**PPolyproline II helixtrans-77.4120.3-175.330.5-31.7000110.8
204V43.5Very low33.4Very low137 Ų137156.4 Ų156.483%0.8381%0.81SS**PPolyproline II helixtrans-92.3127169.2-177.80000108.3P202 S206P202-V204 PolarHBondContact O-N 3.37Å; V204-S206 PolarHBondContact O-N 3.05Å
205K38.8Very low33.6Very low203 Ų203159.5 Ų159.588%0.88381%0.814SS**PPolyproline II helixtrans-67.4124.4169.9-73.4-178.8177.9177.60109
206S30.1Very low33.4Very low111 Ų111160 Ų16078%0.77681%0.812SS**PPolyproline II helixtrans-74.9125.4170.753.40000109.6V204V204-S206 PolarHBondContact O-N 3.05Å
207E37.4Very low33.2Very low198 Ų198161.4 Ų161.493%0.92581%0.81SS**  trans-152.5138.6145.4-116165.1-150.500111.4
208S31.5Very low33.6Very low99 Ų99164.3 Ų164.369%0.69282%0.817SS**  trans-81.5159.2-163.443.80000113.5
209E32.7Very low33.5Very low147 Ų147160.4 Ų160.469%0.68781%0.807SS**  trans110.1122.1147.6-64.7-166.9167.100119.1
210R32Very low33.3Very low212 Ų212160.1 Ų160.180%0.880%0.802SS**  trans95.285.7142.8-75176.2-88169-5.6118.8
211N27.1Very low33.2Very low160 Ų160161.2 Ų161.286%0.85681%0.806SS**  -7.6127.3128.8-77.9-19.9000115.1
212S30Very low32.6Very low106 Ų106156.6 Ų156.674%0.74180%0.804SS**  170147.890.363.30000113.3
213K32.7Very low32.3Very low197 Ų197162.3 Ų162.386%0.85782%0.82SS**  trans82.1102.1155.2-69.6177.7-179.6-179.30119.4
214Y26.6Very low31.9Very low224 Ų224161.4 Ų161.488%0.87881%0.814SS**  trans-56.9141.6148.7-69.9-92.1000112.1
215T33.7Very low31.2Very low143 Ų143165 Ų16588%0.87781%0.813SS**  trans-148.5126131.931.40000108.6
216E28.9Very low30.7Very low175 Ų175163.8 Ų163.882%0.81881%0.81SS**  trans-59146.7168.3-72.3175124.900111.5
217H30.1Very low30.5Very low163 Ų163168.5 Ų168.576%0.75581%0.812SS**  trans142.195.7146-90.1-94.5000109.1
218D36.2Very low30Very low166 Ų166162.6 Ų162.689%0.88880%0.804SS**  -166.4142.7110.7-107.5-31.6000113.9
219K31.2Very low29.9Very low166 Ų166164.8 Ų164.872%0.72280%0.803SS**  trans-88.9152.7-167.2-84.3174.4175.7173.60111.9
220M28.6Very low29.5Very low164 Ų164162.2 Ų162.281%0.80880%0.802SS**  trans75.2104.6140.3-73.2162.8147.400118.6
221K28.2Very low29.4Very low205 Ų205157.8 Ų157.889%0.89180%0.801SS**  166.996.4110.2-89.2167.4-176178.40110.6
222A30.9Very low29.7Very low94 Ų94157.5 Ų157.578%0.77780%0.796SS**  trans-154.6112.3156.400000108.9
223F30.3Very low29.7Very low211 Ų211161.6 Ų161.693%0.92580%0.804SS**  trans-62.3127.1177.4-79.7-96000111
224P28.8Very low29.9Very low109 Ų109157.4 Ų157.471%0.70879%0.79SS**  trans-84.8124.1164.2612.4000109E226P224-E226 VanDerWaalsContact C-N 3.31Å; P224-E226 PolarHBondContact O-N 3.48Å
225R29.6Very low29.9Very low212 Ų212150.7 Ų150.780%0.879%0.789SS**  trans-69.494.6159.4-93.5-178.5172.3175.4-3.2107.5Y227R225-Y227 PolarHBondContact O-N 3.38Å; R225-Y227 VanDerWaalsContact O-N 3.12Å
226E27Very low30Very low178 Ų178148.7 Ų148.783%0.83277%0.768SS**  trans-62.9104.7162.8-78.7-177.7153.700109.1P224P224-E226 VanDerWaalsContact C-N 3.31Å; P224-E226 PolarHBondContact O-N 3.48Å
227Y27.4Very low30.1Very low210 Ų210144.6 Ų144.682%0.82476%0.759SS**  trans-114.962.6151.4-99.7-90.7000107.2R225 Q229R225-Y227 PolarHBondContact O-N 3.38Å; R225-Y227 VanDerWaalsContact O-N 3.12Å; Y227-Q229 PolarHBondContact O-N 3.13Å
228G25.9Very low30.5Very low73 Ų73139.8 Ų139.875%0.75375%0.747SS**  trans-89.481.8165.600000108.7S230G228-S230 PolarHBondContact O-N 3.11Å
229Q29.3Very low30.9Very low145 Ų145136.6 Ų136.668%0.67874%0.738SS**  trans-76.2106.6156.9-78.4-1800.500106.2Y227Y227-Q229 PolarHBondContact O-N 3.13Å
230S26Very low31.6Very low93 Ų93132.4 Ų132.465%0.6573%0.73SS**  trans-46.5147.5160.646.60000109G228 M232G228-S230 PolarHBondContact O-N 3.11Å; S230-M232 PolarHBondContact O-N 3.49Å
231P28.2Very low32.9Very low120 Ų120126.9 Ų126.978%0.77970%0.703SS**  trans-50.6117.3166.3-17.929.3000106.6E233P231-E233 VanDerWaalsContact C-N 3.33Å; P231-E233 PolarHBondContact O-N 3.41Å
232M33.5Very low34.3Very low154 Ų154122.1 Ų122.176%0.75969%0.687SS**  trans-57.1104.8171.8-98.1-170.9-88.800106.3S230 L234S230-M232 PolarHBondContact O-N 3.49Å; M232-L234 PolarHBondContact O-N 3.49Å
233E30Very low35.7Very low192 Ų192122.5 Ų122.590%0.89768%0.681SS**  trans-6383.8156.1-74.5-173.2162.700106P231 G235P231-E233 VanDerWaalsContact C-N 3.33Å; P231-E233 PolarHBondContact O-N 3.41Å; E233-G235 VanDerWaalsContact C-N 3.3Å; E233-G235 PolarHBondContact O-N 3.19Å
234L37.4Very low37.4Very low108 Ų108116.4 Ų116.457%0.56566%0.657SS**  trans-63.6100.7162.8-90.3148.3000105.6M232 F236M232-L234 PolarHBondContact O-N 3.49Å; L234-F236 HydrophobicContact CB-CD2 3.62Å; L234-F236 HydrophobicContact CB-CE2 3.35Å; L234-F236 HydrophobicContact CB-CZ 4.17Å; L234-F236 HydrophobicContact CD1-CE2 3.98Å; L234-F236 HydrophobicContact CD1-CZ 4.25Å; L234-F236 HydrophobicContact CD2-CE2 4.38Å; L234-F236 HydrophobicContact CD2-CZ 4.39Å; L234-F236 HydrophobicContact CG-CE2 4.1Å; L234-F236 VanDerWaalsContact O-CD2 3.28Å; L234-F236 WeakPolarHBondContact O-CD2 3.43Å; L234-F236 PolarHBondContact O-N 3.36Å
235G26.4Very low39.4Very low83 Ų83113.1 Ų113.186%0.85663%0.633SS**  trans-60.785165.800000109.1E233E233-G235 VanDerWaalsContact C-N 3.3Å; E233-G235 PolarHBondContact O-N 3.19Å
236F36.8Very low41.1Very low101 Ų101107.4 Ų107.444%0.44363%0.625SS.*  trans-77.4127173-81.7-80.4000108.6L234 A238L234-F236 HydrophobicContact CB-CD2 3.62Å; L234-F236 HydrophobicContact CB-CE2 3.35Å; L234-F236 HydrophobicContact CB-CZ 4.17Å; L234-F236 HydrophobicContact CD1-CE2 3.98Å; L234-F236 HydrophobicContact CD1-CZ 4.25Å; L234-F236 HydrophobicContact CD2-CE2 4.38Å; L234-F236 HydrophobicContact CD2-CZ 4.39Å; L234-F236 HydrophobicContact CG-CE2 4.1Å; L234-F236 VanDerWaalsContact O-CD2 3.28Å; L234-F236 WeakPolarHBondContact O-CD2 3.43Å; L234-F236 PolarHBondContact O-N 3.36Å; F236-A238 VanDerWaalsContact C-N 3.29Å; F236-A238 PolarHBondContact O-N 3.34Å
237S29.4Very low43.3Very low90 Ų90102.6 Ų102.663%0.62962%0.624SS**  trans-64.294.4160.856.20000108.1S239S237-S239 PolarHBondContact O-N 3.14Å
238A40.2Very low45.8Very low61 Ų6194.3 Ų94.350%0.50459%0.593SS.*THydrogen-bonded Turntrans-61.8-12.9-171.800000114.8F236 S240F236-A238 VanDerWaalsContact C-N 3.29Å; F236-A238 PolarHBondContact O-N 3.34Å; A238-S240 PolarHBondContact O-N 3.22Å
239S43Very low48.5Very low100 Ų10094.3 Ų94.370%0.69958%0.576SS**THydrogen-bonded Turntrans-77.6-22.3-166.151.70000116.1S237S237-S239 PolarHBondContact O-N 3.14Å
240S47.6Very low51.3Low78 Ų7895.6 Ų95.655%0.54558%0.579SS.*THydrogen-bonded Turntrans-103.7-22.9-173.7-55.40000114.4A238A238-S240 PolarHBondContact O-N 3.22Å
241N54.8Low54.2Low47 Ų4798.2 Ų98.225%0.25158%0.581SS.*THydrogen-bonded Turntrans-86.8-27.5-172.6-70.3-19000112.9T243 I244 A359N241-T243 PolarHBondContact O-N 3.1Å; N241-I244 PolarHBondContact O-N 2.87Å; N241-A359 HydrophobicContact CB-CB 4.35Å; N241-A359 PolarHBondContact ND2-O 3.47Å
242D57.3Low56.9Low105 Ų10592.8 Ų92.856%0.56155%0.545SS*.Hα-helixtrans-62.9-28-178.6-71.8-9000112.4I244 I245 S246D242-I244 PolarHBondContact O-N 3.14Å; D242-I245 PolarHBondContact O-N 3.39Å; D242-S246 WeakPolarHBondContact O-CB 3.4Å; D242-S246 PolarHBondContact O-N 3.25Å
243T61.6Low59.5Low103 Ų10386 Ų8663%0.63251%0.512SS*.Hα-helixtrans-66.8-38.5-179.2-25.50000111.9N241 I245 S246N241-T243 PolarHBondContact O-N 3.1Å; T243-I245 VanDerWaalsContact C-N 3.3Å; T243-I245 PolarHBondContact O-N 3.22Å; T243-S246 PolarHBondContact O-OG 3.15Å
244I66Low62.3Low83 Ų8382.7 Ų82.743%0.42650%0.497SS..Hα-helixtrans-68.4-34.5-179.8-59.5175000110.6N241 D242 A355N241-I244 PolarHBondContact O-N 2.87Å; D242-I244 PolarHBondContact O-N 3.14Å; I244-A355 HydrophobicContact CG2-CB 4.39Å
245I70Confident64.7Low40 Ų4079.6 Ų79.621%0.20548%0.48CS..Hα-helixtrans-87-22.9-175.2-56.7175.6000111.5D242 T243 G247 I248 V253 A359D242-I245 PolarHBondContact O-N 3.39Å; T243-I245 VanDerWaalsContact C-N 3.3Å; T243-I245 PolarHBondContact O-N 3.22Å; I245-G247 PolarHBondContact O-N 3.24Å; I245-G247 VanDerWaalsContact O-N 3.09Å; I245-I248 PolarHBondContact O-N 3.36Å; I245-V253 HydrophobicContact CG2-CG1 4.16Å; I245-V253 HydrophobicContact CG2-CG2 3.88Å; I245-A359 HydrophobicContact CD1-CB 3.85Å; I245-A359 HydrophobicContact CG1-CB 4.12Å
246S65.4Low67.7Low92 Ų9275.6 Ų75.664%0.64344%0.439SS*.THydrogen-bonded Turntrans-56.9-29-17367.10000115.9D242 T243D242-S246 WeakPolarHBondContact O-CB 3.4Å; D242-S246 PolarHBondContact O-N 3.25Å; T243-S246 PolarHBondContact O-OG 3.15Å
247G73.3Confident70.1Confident77 Ų7774 Ų7479%0.79443%0.433SS*.THydrogen-bonded Turntrans-91.13.6179.200000114.9I245I245-G247 PolarHBondContact O-N 3.24Å; I245-G247 VanDerWaalsContact O-N 3.09Å
248I78.9Confident72.9Confident36 Ų3675.3 Ų75.319%0.18543%0.433CS..SBendtrans-110.4148.1-171.7-53.3177000110.2I245 K250 V253 T352 A355I245-I248 PolarHBondContact O-N 3.36Å; I248-K250 PolarHBondContact O-N 3.33Å; I248-K250 VanDerWaalsContact O-N 3.13Å; I248-V253 HydrophobicContact CB-CG2 4.39Å; I248-V253 HydrophobicContact CG2-CG2 4.04Å; I248-T352 HydrophobicContact CG2-CG2 3.5Å; I248-T352 WeakPolarHBondContact CG2-OG1 2.97Å; I248-A355 HydrophobicContact CD1-CB 3.19Å
249D84.3Confident75Confident73 Ų7377.6 Ų77.639%0.3943%0.433SS..  trans-56.8116.1176.5-165.6-28.4000110.9E251 L252 V253D249-E251 PolarHBondContact O-N 3.44Å; D249-E251 WeakPolarHBondContact OD1-CB 3.3Å; D249-E251 PolarHBondContact OD1-N 2.68Å; D249-L252 HydrophobicContact CB-CB 4.2Å; D249-L252 HydrophobicContact CB-CD1 3.94Å; D249-L252 HydrophobicContact CB-CG 3.95Å; D249-L252 PolarHBondContact O-N 2.83Å; D249-V253 WeakPolarHBondContact O-CG2 3.19Å; D249-V253 PolarHBondContact O-N 2.93Å; D249-V253 VanDerWaalsContact O-N 3.12Å
250K86.8Confident76.9Confident171 Ų17173.5 Ų73.574%0.74340%0.403SS*.Hα-helixtrans-62.5-31.4-177.2-66.7-176.8179.2-178.60111.9I248 V253 Q254I248-K250 PolarHBondContact O-N 3.33Å; I248-K250 VanDerWaalsContact O-N 3.13Å; K250-V253 PolarHBondContact O-N 3.48Å; K250-Q254 WeakPolarHBondContact O-CB 3.39Å; K250-Q254 PolarHBondContact O-N 3.33Å
251E86.4Confident78.8Confident149 Ų14971.5 Ų71.570%0.69639%0.388SS*.Hα-helixtrans-67.1-43.2178.8-62.3-174.3178.100110.6D249 V253 Q254 M255D249-E251 PolarHBondContact O-N 3.44Å; D249-E251 WeakPolarHBondContact OD1-CB 3.3Å; D249-E251 PolarHBondContact OD1-N 2.68Å; E251-V253 VanDerWaalsContact C-N 3.35Å; E251-V253 PolarHBondContact O-N 3.44Å; E251-Q254 PolarHBondContact O-N 3.26Å; E251-M255 VanDerWaalsContact O-CB 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.41Å; E251-M255 PolarHBondContact O-N 3.22Å
252L86.3Confident80.2Confident5 Ų573.8 Ų73.83%0.02640%0.397CS..Hα-helixtrans-64.9-38.9175.9-65.2-177.9000112D249 M255 I256 K348 T352D249-L252 HydrophobicContact CB-CB 4.2Å; D249-L252 HydrophobicContact CB-CD1 3.94Å; D249-L252 HydrophobicContact CB-CG 3.95Å; D249-L252 PolarHBondContact O-N 2.83Å; L252-M255 HydrophobicContact CD2-CE 3.86Å; L252-M255 HydrophobicContact CD2-SD 4.2Å; L252-I256 WeakPolarHBondContact O-CD1 3.49Å; L252-I256 WeakPolarHBondContact O-CG1 3.25Å; L252-I256 PolarHBondContact O-N 3.05Å; L252-K348 HydrophobicContact CD1-CB 4.01Å; L252-T352 HydrophobicContact CB-CG2 4.13Å
253V88.5Confident81.2Confident11 Ų1175.5 Ų75.57%0.06741%0.406CS..Hα-helixtrans-62.6-52.1176.9174.20000110.2I245 I248 D249 K250 E251 M255 I256 E257 T352 V356I245-V253 HydrophobicContact CG2-CG1 4.16Å; I245-V253 HydrophobicContact CG2-CG2 3.88Å; I248-V253 HydrophobicContact CB-CG2 4.39Å; I248-V253 HydrophobicContact CG2-CG2 4.04Å; D249-V253 WeakPolarHBondContact O-CG2 3.19Å; D249-V253 PolarHBondContact O-N 2.93Å; D249-V253 VanDerWaalsContact O-N 3.12Å; K250-V253 PolarHBondContact O-N 3.48Å; E251-V253 VanDerWaalsContact C-N 3.35Å; E251-V253 PolarHBondContact O-N 3.44Å; V253-M255 VanDerWaalsContact C-N 3.26Å; V253-M255 PolarHBondContact O-N 3.08Å; V253-I256 PolarHBondContact O-N 3.46Å; V253-I256 VanDerWaalsContact O-N 3.15Å; V253-E257 HydrophobicContact CG1-CG 4.47Å; V253-E257 WeakPolarHBondContact O-CG 3.23Å; V253-E257 PolarHBondContact O-N 2.85Å; V253-T352 HydrophobicContact CG2-CG2 3.71Å; V253-V356 HydrophobicContact CB-CG2 4.42Å; V253-V356 HydrophobicContact CG1-CG2 4Å; V253-V356 HydrophobicContact CG2-CG2 4.07Å
254Q88.7Confident81.9Confident124 Ų12471.6 Ų71.658%0.57938%0.383SS*.Hα-helixtrans-61.3-37.7-178.8-172.817415.700112K250 E251 E257 N258K250-Q254 WeakPolarHBondContact O-CB 3.39Å; K250-Q254 PolarHBondContact O-N 3.33Å; E251-Q254 PolarHBondContact O-N 3.26Å; Q254-E257 PolarHBondContact O-N 2.81Å; Q254-N258 WeakPolarHBondContact O-CB 3.38Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 2.65Å; Q254-N258 PolarHBondContact O-ND2 3.07Å; Q254-N258 VanDerWaalsContact O-ND2 3.11Å
255M86.5Confident82.6Confident42 Ų4271.4 Ų71.421%0.20739%0.39CS..Hα-helixtrans-63.2-47174.3172.8-153.2-65.200112.4E251 L252 V253 E257 N258 E259 W342 L349E251-M255 VanDerWaalsContact O-CB 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.41Å; E251-M255 PolarHBondContact O-N 3.22Å; L252-M255 HydrophobicContact CD2-CE 3.86Å; L252-M255 HydrophobicContact CD2-SD 4.2Å; V253-M255 VanDerWaalsContact C-N 3.26Å; V253-M255 PolarHBondContact O-N 3.08Å; M255-E257 VanDerWaalsContact C-N 3.29Å; M255-E257 PolarHBondContact O-N 2.75Å; M255-N258 PolarHBondContact O-N 3.15Å; M255-E259 PolarHBondContact O-N 3.34Å; M255-W342 HydrophobicContact CE-CE3 4.19Å; M255-W342 HydrophobicContact CE-CH2 3.33Å; M255-W342 HydrophobicContact CE-CZ2 4.4Å; M255-W342 HydrophobicContact CE-CZ3 3.18Å; M255-W342 HydrophobicContact CG-CH2 3.84Å; M255-W342 HydrophobicContact CG-CZ2 4.24Å; M255-W342 HydrophobicContact SD-CE3 4.06Å; M255-W342 HydrophobicContact SD-CH2 2.99Å; M255-W342 WeakPolarHBondContact SD-CH2 3.49Å; M255-W342 HydrophobicContact SD-CZ2 3.5Å; M255-W342 WeakPolarHBondContact SD-CZ2 3.27Å; M255-W342 HydrophobicContact SD-CZ3 3.3Å; M255-W342 WeakPolarHBondContact SD-CZ3 3.41Å; M255-L349 HydrophobicContact SD-CD1 4.41Å
256I89Confident83.4Confident0 Ų073.4 Ų73.40%040%0.395CS..Hα-helixtrans-58.9-43.4175.7-76.3158.4000110.6L252 V253 N258 I260 V261 F331 L349 T352 L353 V356L252-I256 WeakPolarHBondContact O-CD1 3.49Å; L252-I256 WeakPolarHBondContact O-CG1 3.25Å; L252-I256 PolarHBondContact O-N 3.05Å; V253-I256 PolarHBondContact O-N 3.46Å; V253-I256 VanDerWaalsContact O-N 3.15Å; I256-N258 VanDerWaalsContact C-N 3.29Å; I256-N258 PolarHBondContact O-N 3.13Å; I256-I260 HydrophobicContact CB-CD1 4.38Å; I256-I260 HydrophobicContact CG1-CD1 3.8Å; I256-I260 HydrophobicContact CG2-CB 4.33Å; I256-I260 WeakPolarHBondContact O-CA 3.31Å; I256-I260 WeakPolarHBondContact O-CB 3.47Å; I256-I260 PolarHBondContact O-N 2.96Å; I256-V261 PolarHBondContact O-N 3.31Å; I256-F331 HydrophobicContact CG2-CD1 4.16Å; I256-F331 HydrophobicContact CG2-CE1 4.05Å; I256-L349 HydrophobicContact CD1-CD1 3.83Å; I256-L349 HydrophobicContact CG1-CD1 3.91Å; I256-T352 HydrophobicContact CD1-CG2 3.42Å; I256-T352 VanDerWaalsContact CD1-CG2 3.42Å; I256-L353 HydrophobicContact CD1-CB 4.22Å; I256-L353 HydrophobicContact CG2-CD1 4.1Å; I256-V356 HydrophobicContact CG2-CB 4.44Å; I256-V356 HydrophobicContact CG2-CG1 4.25Å
257E88.7Confident84.5Confident68 Ų6870.7 Ų70.732%0.31838%0.376SS..Hα-helixtrans-64.6-32.7179.6-68.1-174.7159.800113.2V253 Q254 M255 R360V253-E257 HydrophobicContact CG1-CG 4.47Å; V253-E257 WeakPolarHBondContact O-CG 3.23Å; V253-E257 PolarHBondContact O-N 2.85Å; Q254-E257 PolarHBondContact O-N 2.81Å; M255-E257 VanDerWaalsContact C-N 3.29Å; M255-E257 PolarHBondContact O-N 2.75Å; E257-R360 VanDerWaalsContact CG-NH2 3.3Å; E257-R360 IonicContact OE1-CZ 3.92Å; E257-R360 IonicContact OE1-NE 3.71Å; E257-R360 IonicContact OE1-NH2 3.74Å; E257-R360 PolarHBondContact OE1-NH2 3.21Å; E257-R360 IonicContact OE2-NH2 2.83Å; E257-R360 PolarHBondContact OE2-NH2 3.05Å
258N87.4Confident85.3Confident116 Ų11668 Ų6862%0.6234%0.342SS*.Hα-helixtrans-87.2-37.5-178.3-72.5-31.1000113.9Q254 M255 I256Q254-N258 WeakPolarHBondContact O-CB 3.38Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 2.65Å; Q254-N258 PolarHBondContact O-ND2 3.07Å; Q254-N258 VanDerWaalsContact O-ND2 3.11Å; M255-N258 PolarHBondContact O-N 3.15Å; I256-N258 VanDerWaalsContact C-N 3.29Å; I256-N258 PolarHBondContact O-N 3.13Å
259E84Confident85.8Confident110 Ų11072.2 Ų72.251%0.51437%0.365SS..Hα-helixtrans-102.1-34.1-172.2-65.1-163.8179.500114.1M255M255-E259 PolarHBondContact O-N 3.34Å
260I83.9Confident85.9Confident13 Ų1372.5 Ų72.57%0.06737%0.367CS..THydrogen-bonded Turntrans-101.2-32.8-169.6-66.5165.8000111.5I256 Q262 F331 S332 V333 L353I256-I260 HydrophobicContact CB-CD1 4.38Å; I256-I260 HydrophobicContact CG1-CD1 3.8Å; I256-I260 HydrophobicContact CG2-CB 4.33Å; I256-I260 WeakPolarHBondContact O-CA 3.31Å; I256-I260 WeakPolarHBondContact O-CB 3.47Å; I256-I260 PolarHBondContact O-N 2.96Å; I260-Q262 PolarHBondContact O-N 3.48Å; I260-F331 HydrophobicContact CG2-CB 3.85Å; I260-F331 HydrophobicContact CG2-CD1 4.08Å; I260-F331 HydrophobicContact CG2-CG 4.48Å; I260-F331 WeakPolarHBondContact O-CA 3.27Å; I260-S332 PolarHBondContact O-N 3.34Å; I260-V333 HydrophobicContact CD1-CG2 4.43Å; I260-V333 HydrophobicContact CG2-CB 4.26Å; I260-L353 HydrophobicContact CG2-CD1 3.95Å
261V85.8Confident86.1Confident37 Ų3764.8 Ų64.822%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-74.2118.8177.3-179.10000109.7I256 T329 F331I256-V261 PolarHBondContact O-N 3.31Å; V261-T329 HydrophobicContact CG1-CG2 3.97Å; V261-F331 HydrophobicContact CG2-CD1 3.68Å; V261-F331 HydrophobicContact CG2-CE1 3.43Å; V261-F331 VanDerWaalsContact CG2-CE1 3.43Å; V261-F331 HydrophobicContact CG2-CZ 4.15Å
262Q84.4Confident86.3Confident95 Ų9558.5 Ų58.544%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-119.5152.8179.4-66.4-175.915.400110.9I260 A264 F330I260-Q262 PolarHBondContact O-N 3.48Å; Q262-A264 PolarHBondContact O-N 3.12Å; Q262-F330 HydrophobicContact CB-CD1 3.97Å; Q262-F330 PolarHBondContact N-O 3.41Å
263L79.4Confident86.4Confident141 Ų14159.5 Ų59.574%0.73832%0.318SS*.  trans-76.4122.3173-163.877.1000109.4S265L263-S265 PolarHBondContact O-N 2.95Å
264A75.8Confident86.5Confident20 Ų2060.5 Ų60.517%0.16532%0.323CS..  trans-82.289.7176.400000110.9Q262 A323 S324 F330Q262-A264 PolarHBondContact O-N 3.12Å; A264-A323 HydrophobicContact CB-CB 3.94Å; A264-S324 VanDerWaalsContact O-CB 3.26Å; A264-S324 WeakPolarHBondContact O-CB 3.21Å; A264-S324 PolarHBondContact O-OG 2.93Å; A264-F330 HydrophobicContact CB-CB 4Å; A264-F330 HydrophobicContact CB-CG 4.47Å
265S80.4Confident86.6Confident80 Ų8059 Ų5956%0.55933%0.326SS*.  trans-99.83.8-171.759.80000115.6L263L263-S265 PolarHBondContact O-N 2.95Å
266Y87.1Confident86.7Confident82 Ų8261.4 Ų61.432%0.32234%0.337SS..  trans-99.6138.8-174.9-61.6-75.2000113.6D270 L317 S320 C321 S324Y266-D270 HydrophobicContact CD1-CB 4.25Å; Y266-L317 HydrophobicContact CD1-CD1 4.47Å; Y266-L317 HydrophobicContact CD1-CG 4.32Å; Y266-L317 HydrophobicContact CG-CG 4.3Å; Y266-S320 WeakPolarHBondContact CD2-OG 3.46Å; Y266-C321 WeakPolarHBondContact O-CA 3.26Å; Y266-S324 VanDerWaalsContact O-CB 3.26Å; Y266-S324 WeakPolarHBondContact O-CB 3.42Å
267S88.8Confident86.9Confident34 Ų3462.4 Ų62.424%0.23834%0.343CS..  trans-101.7167.2176.972.70000112.1D269 D270 C321S267-D269 PolarHBondContact O-N 3.22Å; S267-D269 PolarHBondContact OG-N 3.49Å; S267-D270 PolarHBondContact N-OD2 3.33Å; S267-D270 PolarHBondContact O-N 2.82Å; S267-D270 PolarHBondContact OG-N 2.92Å; S267-D270 PolarHBondContact OG-OD2 3.1Å; S267-C321 PolarHBondContact O-SG 3.15Å; S267-C321 VanDerWaalsContact O-SG 3.41Å
268W90.2Very high87Confident21 Ų2160.9 Ų60.98%0.0834%0.335CS..THydrogen-bonded Turntrans-61.8-21.2172.6-73.4119.3000113D270 K278 I281 K282 V286 C321 I322 Q325W268-D270 VanDerWaalsContact C-N 3.27Å; W268-K278 HydrophobicContact CE3-CB 4.3Å; W268-K278 HydrophobicContact CE3-CD 3.89Å; W268-K278 HydrophobicContact CE3-CG 3.71Å; W268-K278 HydrophobicContact CZ3-CB 4.23Å; W268-K278 HydrophobicContact CZ3-CD 4.42Å; W268-K278 HydrophobicContact CZ3-CG 3.73Å; W268-K278 PolarHBondContact O-NZ 3.36Å; W268-I281 HydrophobicContact CH2-CB 4.13Å; W268-I281 HydrophobicContact CH2-CD1 4.36Å; W268-I281 HydrophobicContact CH2-CG2 3.7Å; W268-I281 HydrophobicContact CZ2-CG2 4.11Å; W268-K282 HydrophobicContact CZ2-CG 4.16Å; W268-V286 HydrophobicContact CZ2-CG2 4.16Å; W268-C321 PolarHBondContact N-SG 2.85Å; W268-I322 HydrophobicContact CH2-CG1 4.25Å; W268-Q325 VanDerWaalsContact CD1-OE1 3.23Å; W268-Q325 HydrophobicContact CG-CG 4.42Å; W268-Q325 HydrophobicContact CZ2-CG 4.43Å; W268-Q325 VanDerWaalsContact NE1-CG 3.33Å
269D89.3Confident87.3Confident125 Ų12558 Ų5867%0.66832%0.324SS*.THydrogen-bonded Turntrans-79.8-8.6178-59.3-28.4000112S267 R447S267-D269 PolarHBondContact O-N 3.22Å; S267-D269 PolarHBondContact OG-N 3.49Å; D269-R447 PolarHBondContact O-NH1 3.1Å; D269-R447 PolarHBondContact O-NH2 2.96Å
270D87.6Confident87.7Confident79 Ų7952.8 Ų52.842%0.42230%0.3SS..THydrogen-bonded Turntrans-89.9-23.1174-61.6-55.9000112.2Y266 S267 W268 R447Y266-D270 HydrophobicContact CD1-CB 4.25Å; S267-D270 PolarHBondContact N-OD2 3.33Å; S267-D270 PolarHBondContact O-N 2.82Å; S267-D270 PolarHBondContact OG-N 2.92Å; S267-D270 PolarHBondContact OG-OD2 3.1Å; W268-D270 VanDerWaalsContact C-N 3.27Å; D270-R447 PolarHBondContact O-NH1 3.03Å
271V90.8Very high88.1Confident9 Ų952.2 Ų52.26%0.05530%0.297CS..SBendtrans-83.7121.4175.9-177.30000109.2L274 K278 L317 I318 C321V271-L274 HydrophobicContact CG1-CD1 4.2Å; V271-K278 VanDerWaalsContact CG1-CE 3.49Å; V271-K278 PolarHBondContact O-NZ 3.39Å; V271-L317 HydrophobicContact CB-CD2 4.23Å; V271-L317 HydrophobicContact CG2-CD2 3.24Å; V271-I318 HydrophobicContact CG1-CG1 4.27Å; V271-I318 HydrophobicContact CG2-CG1 4.28Å; V271-C321 HydrophobicContact CG2-CB 4.47Å
272A89.9Confident88.4Confident17 Ų1754.3 Ų54.314%0.1430%0.304CS..  trans-84.6138.2174.200000112A440 D443 I444A272-A440 HydrophobicContact CB-CB 4.32Å; A272-D443 HydrophobicContact CB-CB 4.28Å; A272-I444 HydrophobicContact CB-CD1 4.05Å; A272-I444 HydrophobicContact CB-CG1 3.42Å; A272-I444 VanDerWaalsContact CB-CG1 3.42Å
273G89.1Confident88.7Confident25 Ų2553.9 Ų53.926%0.25830%0.301SS..SBendtrans65.2-145.8178.200000114.5S275 K278G273-S275 VanDerWaalsContact C-N 3.31Å; G273-S275 PolarHBondContact O-N 3.35Å; G273-K278 WeakPolarHBondContact O-CE 3.42Å; G273-K278 PolarHBondContact O-NZ 3.34Å
274L89.7Confident89.3Confident33 Ų3347.8 Ų47.817%0.17327%0.27CS..  trans56.436.4176-59.6174.5000114.4V271 E276 V277 K278 I318 I433 P434V271-L274 HydrophobicContact CG1-CD1 4.2Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 3.23Å; L274-V277 HydrophobicContact CB-CB 4.23Å; L274-V277 HydrophobicContact CD2-CG2 4.37Å; L274-V277 PolarHBondContact O-N 3.44Å; L274-V277 VanDerWaalsContact O-N 3.15Å; L274-K278 WeakPolarHBondContact O-CB 3.25Å; L274-K278 VanDerWaalsContact O-CG 3.31Å; L274-K278 WeakPolarHBondContact O-CG 3.35Å; L274-K278 PolarHBondContact O-N 2.82Å; L274-I318 HydrophobicContact CD1-CD1 3.79Å; L274-I433 HydrophobicContact CD1-CG2 3.85Å; L274-I433 HydrophobicContact CD2-CG2 4.48Å; L274-P434 HydrophobicContact CD2-CG 3.84Å
275S90.3Very high90Very high91 Ų9147 Ų4764%0.63626%0.262SS*.Hα-helixtrans-54-46.4-176.549.10000113G273 K278 S279G273-S275 VanDerWaalsContact C-N 3.31Å; G273-S275 PolarHBondContact O-N 3.35Å; S275-K278 PolarHBondContact O-N 2.94Å; S275-S279 WeakPolarHBondContact O-CB 2.88Å; S275-S279 PolarHBondContact O-N 3.45Å
276E89.7Confident90.5Very high93 Ų9343.5 Ų43.544%0.43524%0.238SC..Hα-helixtrans-62.7-44.1179-63-178.2172.800111.5L274 S279 A280 R545L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 3.23Å; E276-S279 PolarHBondContact O-N 3.35Å; E276-A280 WeakPolarHBondContact O-CB 3.46Å; E276-A280 PolarHBondContact O-N 3.38Å; E276-R545 IonicContact OE1-CZ 3.32Å; E276-R545 IonicContact OE1-NE 3.29Å; E276-R545 PolarHBondContact OE1-NE 3.41Å; E276-R545 IonicContact OE1-NH2 2.75Å; E276-R545 PolarHBondContact OE1-NH2 3.33Å
277V92Very high90.7Very high21 Ų2145.5 Ų45.513%0.12725%0.245CC..Hα-helixtrans-67.4-42.3178.2179.30000111.2L274 S279 A280 I281 L431 I433L274-V277 HydrophobicContact CB-CB 4.23Å; L274-V277 HydrophobicContact CD2-CG2 4.37Å; L274-V277 PolarHBondContact O-N 3.44Å; L274-V277 VanDerWaalsContact O-N 3.15Å; V277-S279 VanDerWaalsContact C-N 3.34Å; V277-S279 PolarHBondContact O-N 3.29Å; V277-A280 PolarHBondContact O-N 2.89Å; V277-I281 HydrophobicContact CG1-CD1 3.69Å; V277-I281 HydrophobicContact CG1-CG1 4.33Å; V277-I281 WeakPolarHBondContact O-CB 3.43Å; V277-I281 VanDerWaalsContact O-CG1 3.22Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 3.49Å; V277-L431 HydrophobicContact CG1-CB 4.44Å; V277-L431 HydrophobicContact CG1-CD1 4.38Å; V277-I433 HydrophobicContact CG1-CD1 3.65Å
278K92.5Very high90.7Very high36 Ų3644 Ų4416%0.15724%0.235CC..Hα-helixtrans-61-43.3175.4-70.6-178.1-177.8-1750111.4W268 V271 G273 L274 S275 I281 K282W268-K278 HydrophobicContact CE3-CB 4.3Å; W268-K278 HydrophobicContact CE3-CD 3.89Å; W268-K278 HydrophobicContact CE3-CG 3.71Å; W268-K278 HydrophobicContact CZ3-CB 4.23Å; W268-K278 HydrophobicContact CZ3-CD 4.42Å; W268-K278 HydrophobicContact CZ3-CG 3.73Å; W268-K278 PolarHBondContact O-NZ 3.36Å; V271-K278 VanDerWaalsContact CG1-CE 3.49Å; V271-K278 PolarHBondContact O-NZ 3.39Å; G273-K278 WeakPolarHBondContact O-CE 3.42Å; G273-K278 PolarHBondContact O-NZ 3.34Å; L274-K278 WeakPolarHBondContact O-CB 3.25Å; L274-K278 VanDerWaalsContact O-CG 3.31Å; L274-K278 WeakPolarHBondContact O-CG 3.35Å; L274-K278 PolarHBondContact O-N 2.82Å; S275-K278 PolarHBondContact O-N 2.94Å; K278-I281 PolarHBondContact O-N 2.89Å; K278-K282 VanDerWaalsContact O-CG 3.31Å; K278-K282 WeakPolarHBondContact O-CG 3.04Å; K278-K282 PolarHBondContact O-N 3.4Å
279S92.5Very high90.6Very high55 Ų5543.7 Ų43.739%0.38523%0.234SC..Hα-helixtrans-60.6-50.8176.3-169.50000110.6S275 E276 V277 I281 K282 E283S275-S279 WeakPolarHBondContact O-CB 2.88Å; S275-S279 PolarHBondContact O-N 3.45Å; E276-S279 PolarHBondContact O-N 3.35Å; V277-S279 VanDerWaalsContact C-N 3.34Å; V277-S279 PolarHBondContact O-N 3.29Å; S279-I281 PolarHBondContact O-N 2.81Å; S279-K282 PolarHBondContact O-N 3.1Å; S279-E283 PolarHBondContact O-N 3.18Å; S279-E283 VanDerWaalsContact O-N 3.1Å
280A92.3Very high90.5Very high2 Ų242 Ų422%0.01723%0.225CC..Hα-helixtrans-54.9-50.7176.600000111.3E276 V277 K282 E283 I284 L431 F541 H543E276-A280 WeakPolarHBondContact O-CB 3.46Å; E276-A280 PolarHBondContact O-N 3.38Å; V277-A280 PolarHBondContact O-N 2.89Å; A280-K282 VanDerWaalsContact C-N 3.34Å; A280-K282 PolarHBondContact O-N 2.87Å; A280-E283 WeakPolarHBondContact O-CB 3.41Å; A280-E283 PolarHBondContact O-N 3.16Å; A280-E283 VanDerWaalsContact O-N 3.16Å; A280-I284 WeakPolarHBondContact O-CG1 3.42Å; A280-I284 PolarHBondContact O-N 3.39Å; A280-L431 HydrophobicContact CB-CD2 4.29Å; A280-F541 HydrophobicContact CB-CE1 4.19Å; A280-H543 HydrophobicContact CB-CB 4.48Å
281I92.9Very high90.5Very high1 Ų141.6 Ų41.61%0.00522%0.217CC..Hα-helixtrans-60-42179.6-68.9164.6000112.1W268 V277 K278 S279 E283 I284 V285 V286 I318 I322 L431W268-I281 HydrophobicContact CH2-CB 4.13Å; W268-I281 HydrophobicContact CH2-CD1 4.36Å; W268-I281 HydrophobicContact CH2-CG2 3.7Å; W268-I281 HydrophobicContact CZ2-CG2 4.11Å; V277-I281 HydrophobicContact CG1-CD1 3.69Å; V277-I281 HydrophobicContact CG1-CG1 4.33Å; V277-I281 WeakPolarHBondContact O-CB 3.43Å; V277-I281 VanDerWaalsContact O-CG1 3.22Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 3.49Å; K278-I281 PolarHBondContact O-N 2.89Å; S279-I281 PolarHBondContact O-N 2.81Å; I281-E283 VanDerWaalsContact C-N 3.27Å; I281-E283 PolarHBondContact O-N 2.98Å; I281-I284 PolarHBondContact O-N 3.28Å; I281-V285 HydrophobicContact CG2-CB 4.48Å; I281-V285 WeakPolarHBondContact O-CB 3.15Å; I281-V285 PolarHBondContact O-N 2.9Å; I281-V286 HydrophobicContact CG2-CG2 4.41Å; I281-V286 PolarHBondContact O-N 3.48Å; I281-I318 HydrophobicContact CD1-CG2 3.64Å; I281-I322 HydrophobicContact CD1-CD1 4.19Å; I281-I322 HydrophobicContact CG1-CD1 4.48Å; I281-I322 HydrophobicContact CG2-CD1 3.64Å; I281-I322 HydrophobicContact CG2-CG1 3.53Å; I281-L431 HydrophobicContact CD1-CD1 3.92Å; I281-L431 HydrophobicContact CG1-CD1 3.36Å
282K92.3Very high90.3Very high81 Ų8144 Ų4435%0.35223%0.233SC..Iπ-helixtrans-57.9-44.2177.1-77.2175-179.8-177.40111W268 K278 S279 A280 V286 W287W268-K282 HydrophobicContact CZ2-CG 4.16Å; K278-K282 VanDerWaalsContact O-CG 3.31Å; K278-K282 WeakPolarHBondContact O-CG 3.04Å; K278-K282 PolarHBondContact O-N 3.4Å; S279-K282 PolarHBondContact O-N 3.1Å; A280-K282 VanDerWaalsContact C-N 3.34Å; A280-K282 PolarHBondContact O-N 2.87Å; K282-V286 HydrophobicContact CG-CG2 4.49Å; K282-V286 PolarHBondContact O-N 2.88Å; K282-W287 VanDerWaalsContact O-CG 3.29Å; K282-W287 PolarHBondContact O-N 3.27Å
283E91Very high90.2Very high85 Ų8547.7 Ų47.740%0.39725%0.25SS..Iπ-helixtrans-69-49.1178.9-172.1-172.3166.400112.8S279 A280 I281 W287 P288 H543S279-E283 PolarHBondContact O-N 3.18Å; S279-E283 VanDerWaalsContact O-N 3.1Å; A280-E283 WeakPolarHBondContact O-CB 3.41Å; A280-E283 PolarHBondContact O-N 3.16Å; A280-E283 VanDerWaalsContact O-N 3.16Å; I281-E283 VanDerWaalsContact C-N 3.27Å; I281-E283 PolarHBondContact O-N 2.98Å; E283-W287 HydrophobicContact CB-CE3 4.17Å; E283-W287 HydrophobicContact CB-CZ3 4.12Å; E283-W287 HydrophobicContact CG-CE3 4.13Å; E283-W287 HydrophobicContact CG-CZ3 4Å; E283-P288 VanDerWaalsContact O-CD 3.23Å; E283-P288 WeakPolarHBondContact O-CD 3.43Å; E283-H543 IonicContact OE2-CE1 3.77Å; E283-H543 IonicContact OE2-ND1 2.74Å
284I90.4Very high90.3Very high14 Ų1449.7 Ų49.77%0.07226%0.255CS..Iπ-helixtrans-80-22.5-171.562.6150.3000114.2A280 I281 V305 R429 L431 F541A280-I284 WeakPolarHBondContact O-CG1 3.42Å; A280-I284 PolarHBondContact O-N 3.39Å; I281-I284 PolarHBondContact O-N 3.28Å; I284-V305 HydrophobicContact CD1-CG1 4.35Å; I284-V305 HydrophobicContact CD1-CG2 3.91Å; I284-R429 HydrophobicContact CD1-CB 3.86Å; I284-R429 HydrophobicContact CD1-CG 3.93Å; I284-L431 HydrophobicContact CD1-CD1 4.28Å; I284-F541 HydrophobicContact CG2-CE1 4.13Å; I284-F541 HydrophobicContact CG2-CZ 4.26Å
285V90.6Very high90.2Very high2 Ų250.1 Ų50.11%0.01226%0.255CS..Iπ-helixtrans-128.4-58.5-171.4167.20000112.1I281 P288 M289 V305 I322 L408I281-V285 HydrophobicContact CG2-CB 4.48Å; I281-V285 WeakPolarHBondContact O-CB 3.15Å; I281-V285 PolarHBondContact O-N 2.9Å; V285-P288 WeakPolarHBondContact O-CD 3.34Å; V285-M289 WeakPolarHBondContact O-CB 3.36Å; V285-M289 VanDerWaalsContact O-CG 3.3Å; V285-M289 WeakPolarHBondContact O-CG 3.31Å; V285-M289 PolarHBondContact O-N 2.98Å; V285-M289 VanDerWaalsContact O-N 3.13Å; V285-V305 HydrophobicContact CG2-CG2 3.83Å; V285-I322 HydrophobicContact CG1-CG2 3.56Å; V285-L408 HydrophobicContact CB-CD2 4.26Å; V285-L408 HydrophobicContact CG1-CD2 3.38Å; V285-L408 HydrophobicContact CG2-CD1 4.3Å; V285-L408 HydrophobicContact CG2-CD2 3.79Å
286V90.8Very high89.9Confident8 Ų849.8 Ų49.85%0.04825%0.249CC..Iπ-helixtrans-66.5-47.9-168.1-176.90000111.1W268 I281 K282 M289 L290 Q325W268-V286 HydrophobicContact CZ2-CG2 4.16Å; I281-V286 HydrophobicContact CG2-CG2 4.41Å; I281-V286 PolarHBondContact O-N 3.48Å; K282-V286 HydrophobicContact CG-CG2 4.49Å; K282-V286 PolarHBondContact O-N 2.88Å; V286-M289 PolarHBondContact O-N 3.18Å; V286-L290 HydrophobicContact CG1-CD1 3.77Å; V286-L290 HydrophobicContact CG1-CG 4.33Å; V286-L290 WeakPolarHBondContact O-CG 3.5Å; V286-L290 PolarHBondContact O-N 3.13Å; V286-Q325 HydrophobicContact CG1-CB 4.4Å; V286-Q325 HydrophobicContact CG2-CB 4.46Å
287W91.4Very high89.7Confident123 Ų12348.5 Ų48.547%0.46626%0.261SS..Hα-helixtrans-63.4-46.6179.5-64.2-13.6000113.3K282 E283 M289 L290 R291 F295K282-W287 VanDerWaalsContact O-CG 3.29Å; K282-W287 PolarHBondContact O-N 3.27Å; E283-W287 HydrophobicContact CB-CE3 4.17Å; E283-W287 HydrophobicContact CB-CZ3 4.12Å; E283-W287 HydrophobicContact CG-CE3 4.13Å; E283-W287 HydrophobicContact CG-CZ3 4Å; W287-M289 VanDerWaalsContact C-N 3.3Å; W287-M289 PolarHBondContact O-N 3.16Å; W287-L290 PolarHBondContact O-N 3.32Å; W287-R291 PolarHBondContact O-N 3.34Å; W287-F295 HydrophobicContact CB-CE2 3.62Å; W287-F295 HydrophobicContact CB-CZ 3.56Å; W287-F295 HydrophobicContact CE3-CZ 4.27Å
288P89Confident89.4Confident4 Ų456.5 Ų56.53%0.02630%0.302CS..Hα-helixtrans-55.8-39.5172.5-26.729.4000114.9E283 V285 F295 P301E283-P288 VanDerWaalsContact O-CD 3.23Å; E283-P288 WeakPolarHBondContact O-CD 3.43Å; V285-P288 WeakPolarHBondContact O-CD 3.34Å; P288-F295 HydrophobicContact CB-CB 3.9Å; P288-F295 HydrophobicContact CB-CD1 4.12Å; P288-F295 HydrophobicContact CB-CD2 4.31Å; P288-F295 HydrophobicContact CB-CG 3.86Å; P288-F295 HydrophobicContact CG-CB 4.32Å; P288-F295 HydrophobicContact CG-CD1 3.58Å; P288-F295 HydrophobicContact CG-CD2 4.32Å; P288-F295 HydrophobicContact CG-CE1 3.87Å; P288-F295 HydrophobicContact CG-CG 3.82Å; P288-F295 HydrophobicContact CG-CZ 4.37Å; P288-P301 HydrophobicContact CB-CB 3.58Å; P288-P301 HydrophobicContact CB-CG 3.87Å; P288-P301 HydrophobicContact CG-CB 4.1Å
289M87.9Confident89.1Confident14 Ų1462.4 Ų62.47%0.06932%0.323CS..Hα-helixtrans-69.7-37.4179.3-73.6-73.7105.800112.3V285 V286 W287 P301 C326 R406V285-M289 WeakPolarHBondContact O-CB 3.36Å; V285-M289 VanDerWaalsContact O-CG 3.3Å; V285-M289 WeakPolarHBondContact O-CG 3.31Å; V285-M289 PolarHBondContact O-N 2.98Å; V285-M289 VanDerWaalsContact O-N 3.13Å; V286-M289 PolarHBondContact O-N 3.18Å; W287-M289 VanDerWaalsContact C-N 3.3Å; W287-M289 PolarHBondContact O-N 3.16Å; M289-P301 HydrophobicContact CE-CG 4.05Å; M289-C326 HydrophobicContact CB-CB 4.14Å; M289-C326 HydrophobicContact CG-CB 4.4Å; M289-R406 HydrophobicContact CE-CB 4.02Å; M289-R406 HydrophobicContact CE-CG 4.36Å; M289-R406 HydrophobicContact SD-CB 4.08Å
290L87Confident88.7Confident89 Ų8962.6 Ų62.647%0.46633%0.328SS..Hα-helixtrans-79.4-33.4179.4-68.3177000113.3V286 W287 P292V286-L290 HydrophobicContact CG1-CD1 3.77Å; V286-L290 HydrophobicContact CG1-CG 4.33Å; V286-L290 WeakPolarHBondContact O-CG 3.5Å; V286-L290 PolarHBondContact O-N 3.13Å; W287-L290 PolarHBondContact O-N 3.32Å; L290-P292 VanDerWaalsContact C-CD 3.44Å
291R88.2Confident88.4Confident71 Ų7164.7 Ų64.727%0.26834%0.341SS..  trans-12962.2-175.4-67-61.9-60.1-84.9-2.8112.2W287 D293 I294 F295W287-R291 PolarHBondContact O-N 3.34Å; R291-D293 VanDerWaalsContact CA-OD1 3.25Å; R291-D293 WeakPolarHBondContact CA-OD1 3.31Å; R291-D293 WeakPolarHBondContact CB-OD1 3.42Å; R291-D293 IonicContact CZ-OD1 2.74Å; R291-D293 IonicContact CZ-OD2 3.87Å; R291-D293 IonicContact NE-OD1 3.9Å; R291-D293 PolarHBondContact NE-OD1 3.29Å; R291-D293 IonicContact NE-OD2 2.73Å; R291-D293 PolarHBondContact NE-OD2 3.03Å; R291-D293 IonicContact NH2-OD1 3.29Å; R291-D293 IonicContact NH2-OD2 3.7Å; R291-D293 PolarHBondContact NH2-OD2 3.44Å; R291-D293 PolarHBondContact O-N 3.03Å; R291-I294 HydrophobicContact CB-CD1 4.27Å; R291-I294 HydrophobicContact CB-CG1 4.48Å; R291-I294 PolarHBondContact O-N 3.2Å; R291-F295 HydrophobicContact CB-CD2 4.48Å; R291-F295 WeakPolarHBondContact O-CD2 3.39Å; R291-F295 PolarHBondContact O-N 2.91Å
292P86.7Confident88Confident59 Ų5965.4 Ų65.438%0.38335%0.347SS..THydrogen-bonded Turntrans-60.8-17.517927-35.8000113L290 I294 T296L290-P292 VanDerWaalsContact C-CD 3.44Å; P292-I294 VanDerWaalsContact C-N 3.33Å; P292-I294 PolarHBondContact O-N 3.47Å; P292-T296 VanDerWaalsContact O-CG2 3.25Å; P292-T296 WeakPolarHBondContact O-CG2 3.43Å
293D88.3Confident87.7Confident95 Ų9565.7 Ų65.751%0.50835%0.348SS..THydrogen-bonded Turntrans-64-33.6173.861.1-52.2000113.3R291R291-D293 VanDerWaalsContact CA-OD1 3.25Å; R291-D293 WeakPolarHBondContact CA-OD1 3.31Å; R291-D293 WeakPolarHBondContact CB-OD1 3.42Å; R291-D293 IonicContact CZ-OD1 2.74Å; R291-D293 IonicContact CZ-OD2 3.87Å; R291-D293 IonicContact NE-OD1 3.9Å; R291-D293 PolarHBondContact NE-OD1 3.29Å; R291-D293 IonicContact NE-OD2 2.73Å; R291-D293 PolarHBondContact NE-OD2 3.03Å; R291-D293 IonicContact NH2-OD1 3.29Å; R291-D293 IonicContact NH2-OD2 3.7Å; R291-D293 PolarHBondContact NH2-OD2 3.44Å; R291-D293 PolarHBondContact O-N 3.03Å
294I90.3Very high87.8Confident67 Ų6761.6 Ų61.634%0.34433%0.329SS..THydrogen-bonded Turntrans-90.3-38.7-179.8-59.3175.6000110.9R291 P292 T296R291-I294 HydrophobicContact CB-CD1 4.27Å; R291-I294 HydrophobicContact CB-CG1 4.48Å; R291-I294 PolarHBondContact O-N 3.2Å; P292-I294 VanDerWaalsContact C-N 3.33Å; P292-I294 PolarHBondContact O-N 3.47Å; I294-T296 VanDerWaalsContact C-N 3.26Å; I294-T296 PolarHBondContact O-N 3.42Å
295F88.1Confident88Confident42 Ų4261 Ų6118%0.18433%0.326CS..SBendtrans-88.461.3-173.6-70.1-90.8000111.5W287 P288 R291 R299W287-F295 HydrophobicContact CB-CE2 3.62Å; W287-F295 HydrophobicContact CB-CZ 3.56Å; W287-F295 HydrophobicContact CE3-CZ 4.27Å; P288-F295 HydrophobicContact CB-CB 3.9Å; P288-F295 HydrophobicContact CB-CD1 4.12Å; P288-F295 HydrophobicContact CB-CD2 4.31Å; P288-F295 HydrophobicContact CB-CG 3.86Å; P288-F295 HydrophobicContact CG-CB 4.32Å; P288-F295 HydrophobicContact CG-CD1 3.58Å; P288-F295 HydrophobicContact CG-CD2 4.32Å; P288-F295 HydrophobicContact CG-CE1 3.87Å; P288-F295 HydrophobicContact CG-CG 3.82Å; P288-F295 HydrophobicContact CG-CZ 4.37Å; R291-F295 HydrophobicContact CB-CD2 4.48Å; R291-F295 WeakPolarHBondContact O-CD2 3.39Å; R291-F295 PolarHBondContact O-N 2.91Å; F295-R299 WeakPolarHBondContact CB-O 3.49Å; F295-R299 HydrophobicContact CD1-CB 4.26Å; F295-R299 WeakPolarHBondContact CD1-O 3.18Å
296T84.6Confident88.3Confident84 Ų8461 Ų6152%0.51533%0.326SS..  trans-108.1160178.961.10000112.1P292 I294 L298 R299P292-T296 VanDerWaalsContact O-CG2 3.25Å; P292-T296 WeakPolarHBondContact O-CG2 3.43Å; I294-T296 VanDerWaalsContact C-N 3.26Å; I294-T296 PolarHBondContact O-N 3.42Å; T296-L298 PolarHBondContact O-N 2.98Å; T296-R299 PolarHBondContact O-N 3.08Å; T296-R299 VanDerWaalsContact O-N 3.1Å
297G85.3Confident88.6Confident66 Ų6660.7 Ų60.768%0.6832%0.324SS*.G310 helixtrans61.2-124.3178.400000112.3R299 A300G297-R299 PolarHBondContact O-N 2.99Å; G297-A300 VanDerWaalsContact O-CB 3.22Å; G297-A300 WeakPolarHBondContact O-CB 3.27Å; G297-A300 PolarHBondContact O-N 3.14Å; G297-A300 VanDerWaalsContact O-N 3.09Å
298L86.4Confident88.9Confident188 Ų18854.8 Ų54.898%0.98430%0.301SS*.G310 helixtrans-65.3-18.8178.3-66.9179.6000113.9T296 A300T296-L298 PolarHBondContact O-N 2.98Å; L298-A300 VanDerWaalsContact C-N 3.29Å
299R86Confident89.2Confident161 Ų16154.6 Ų54.661%0.60830%0.3SS*.G310 helixtrans-87.84.6176-70.2-179.7-94.5-174.7-8.2112.7F295 T296 G297F295-R299 WeakPolarHBondContact CB-O 3.49Å; F295-R299 HydrophobicContact CD1-CB 4.26Å; F295-R299 WeakPolarHBondContact CD1-O 3.18Å; T296-R299 PolarHBondContact O-N 3.08Å; T296-R299 VanDerWaalsContact O-N 3.1Å; G297-R299 PolarHBondContact O-N 2.99Å
300A84.1Confident89.5Confident58 Ų5854 Ų5448%0.47930%0.297SS..PPolyproline II helixtrans-56144.317800000111.4G297 L298G297-A300 VanDerWaalsContact O-CB 3.22Å; G297-A300 WeakPolarHBondContact O-CB 3.27Å; G297-A300 PolarHBondContact O-N 3.14Å; G297-A300 VanDerWaalsContact O-N 3.09Å; L298-A300 VanDerWaalsContact C-N 3.29Å
301P85.1Confident89.8Confident46 Ų4651.7 Ų51.730%0.29929%0.288SS..PPolyproline II helixtrans-59.1150.8178.519.6-27.5000111.7P288 M289 K303P288-P301 HydrophobicContact CB-CB 3.58Å; P288-P301 HydrophobicContact CB-CG 3.87Å; P288-P301 HydrophobicContact CG-CB 4.1Å; M289-P301 HydrophobicContact CE-CG 4.05Å; P301-K303 PolarHBondContact O-N 2.95Å
302S84.7Confident90Very high17 Ų1749.5 Ų49.512%0.11929%0.287CS..PPolyproline II helixtrans-64.6128169.154.40000110G304 V305 L408 T428S302-G304 PolarHBondContact O-N 3.07Å; S302-V305 WeakPolarHBondContact OG-CG2 3.43Å; S302-L408 VanDerWaalsContact O-CD1 3.27Å; S302-L408 WeakPolarHBondContact O-CD1 3.37Å; S302-T428 WeakPolarHBondContact CB-OG1 3.47Å
303K86.7Confident90.4Very high86 Ų8647.4 Ų47.437%0.37427%0.273SS..SBendtrans-62.9-30.6176.9-56.5-177.9-180-159.10113.1P301 E397 V399 V409P301-K303 PolarHBondContact O-N 2.95Å; K303-E397 PolarHBondContact NZ-O 3.45Å; K303-V399 HydrophobicContact CB-CG1 4.42Å; K303-V399 HydrophobicContact CD-CB 4.48Å; K303-V399 WeakPolarHBondContact CD-O 3.24Å; K303-V399 WeakPolarHBondContact CE-O 3.16Å; K303-V399 PolarHBondContact NZ-O 3.02Å; K303-V409 PolarHBondContact O-N 3.44Å; K303-V409 VanDerWaalsContact O-N 3.1Å
304G92.9Very high90.6Very high0 Ų044.2 Ų44.20%026%0.263CS..EExtended strand (participates in β ladder)trans-136.7127-175.200000112.6S302 V409 F427 T428S302-G304 PolarHBondContact O-N 3.07Å; G304-V409 VanDerWaalsContact CA-O 3.31Å; G304-V409 WeakPolarHBondContact CA-O 3.32Å; G304-F427 CarbonylContact O-C 3.46Å; G304-T428 PolarHBondContact O-N 3.47Å; G304-T428 VanDerWaalsContact O-N 3.15Å
305V95Very high90.8Very high2 Ų241.5 Ų41.51%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-116.5134.2172.6179.50000109.4I284 V285 S302 L307 L408 V409 I410 G411 F427 R429 L431I284-V305 HydrophobicContact CD1-CG1 4.35Å; I284-V305 HydrophobicContact CD1-CG2 3.91Å; V285-V305 HydrophobicContact CG2-CG2 3.83Å; S302-V305 WeakPolarHBondContact OG-CG2 3.43Å; V305-L307 HydrophobicContact CG1-CD2 4.2Å; V305-L408 HydrophobicContact CG2-CD1 4.08Å; V305-V409 PolarHBondContact N-O 2.96Å; V305-I410 CarbonylContact O-C 3.6Å; V305-I410 VanDerWaalsContact O-CA 3.29Å; V305-I410 WeakPolarHBondContact O-CA 3.42Å; V305-G411 PolarHBondContact O-N 3.23Å; V305-F427 WeakPolarHBondContact O-CD1 3.44Å; V305-R429 CarbonylContact C-O 3.49Å; V305-R429 WeakPolarHBondContact CA-O 3.44Å; V305-R429 HydrophobicContact CG2-CB 4.25Å; V305-L431 HydrophobicContact CG1-CD1 4.04Å; V305-L431 HydrophobicContact CG1-CG 4.48Å
306L96.6Very high91.1Very high2 Ų242.5 Ų42.51%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-108.7124.2174-176.374.6000109.8V370 G411 T413 L419 F427 R429 R430 L431 W535L306-V370 HydrophobicContact CD1-CG2 3.76Å; L306-G411 CarbonylContact C-O 3.48Å; L306-G411 WeakPolarHBondContact CA-O 3.3Å; L306-T413 HydrophobicContact CD1-CG2 4.03Å; L306-T413 HydrophobicContact CD2-CG2 4.42Å; L306-T413 HydrophobicContact CG-CG2 4.42Å; L306-L419 HydrophobicContact CD1-CD1 4.07Å; L306-L419 HydrophobicContact CD2-CD1 3.59Å; L306-F427 HydrophobicContact CB-CB 3.81Å; L306-F427 HydrophobicContact CB-CD1 4.32Å; L306-F427 HydrophobicContact CB-CG 4.03Å; L306-F427 HydrophobicContact CD1-CD2 4.36Å; L306-F427 HydrophobicContact CD1-CG 4.48Å; L306-R429 PolarHBondContact N-O 3.49Å; L306-R430 HydrophobicContact CB-CB 4.19Å; L306-R430 HydrophobicContact CB-CG 3.94Å; L306-R430 HydrophobicContact CD2-CB 4.35Å; L306-R430 HydrophobicContact CD2-CG 4.02Å; L306-R430 CarbonylContact O-C 3.58Å; L306-R430 VanDerWaalsContact O-CA 3.31Å; L306-R430 WeakPolarHBondContact O-CA 3.18Å; L306-L431 PolarHBondContact O-N 3.5Å; L306-W535 HydrophobicContact CD2-CH2 3.93Å
307L97Very high91.5Very high0 Ų041.1 Ų41.10%025%0.247CC..EExtended strand (participates in β ladder)trans-97.6123.7168.1-53.3-177.4000108.3V305 K315 I318 I410 G411 A412 T413 L431 I433V305-L307 HydrophobicContact CG1-CD2 4.2Å; L307-K315 HydrophobicContact CB-CB 4.34Å; L307-K315 HydrophobicContact CB-CD 4.38Å; L307-K315 HydrophobicContact CB-CG 4.24Å; L307-K315 WeakPolarHBondContact CD1-O 3.41Å; L307-I318 HydrophobicContact CD1-CB 4.19Å; L307-I318 HydrophobicContact CD1-CG2 3.94Å; L307-I410 HydrophobicContact CD1-CG2 3.93Å; L307-I410 HydrophobicContact CG-CG2 3.94Å; L307-G411 PolarHBondContact N-O 3.32Å; L307-A412 WeakPolarHBondContact O-CA 3.5Å; L307-T413 PolarHBondContact O-N 3.09Å; L307-L431 HydrophobicContact CD2-CB 3.99Å; L307-L431 HydrophobicContact CD2-CD1 3.96Å; L307-I433 HydrophobicContact CB-CG1 4.4Å; L307-I433 HydrophobicContact CD2-CD1 4.45Å
308F96.8Very high91.9Very high0 Ų038.1 Ų38.10%022%0.215CC..EExtended strand (participates in β ladder)trans-136.4153.4179.472.1-84.1000111.9T413 P416 R430 L431 Y432 I433 Y532 W535 N536F308-T413 WeakPolarHBondContact CA-O 3.26Å; F308-T413 HydrophobicContact CB-CG2 3.8Å; F308-P416 HydrophobicContact CB-CB 4Å; F308-P416 HydrophobicContact CB-CG 4.2Å; F308-P416 HydrophobicContact CD2-CB 4.2Å; F308-P416 HydrophobicContact CD2-CG 3.85Å; F308-P416 HydrophobicContact CG-CB 4.19Å; F308-P416 HydrophobicContact CG-CG 4.29Å; F308-R430 HydrophobicContact CD1-CB 4.18Å; F308-R430 HydrophobicContact CE1-CB 3.92Å; F308-L431 VanDerWaalsContact CD1-O 3.26Å; F308-L431 WeakPolarHBondContact CD1-O 3.32Å; F308-L431 VanDerWaalsContact CE1-C 3.41Å; F308-L431 PolarHBondContact N-O 3.41Å; F308-Y432 AromaticContact CD2-CD2 3.95Å; F308-Y432 HydrophobicContact CD2-CD2 3.95Å; F308-Y432 AromaticContact CE2-CD2 3.57Å; F308-Y432 HydrophobicContact CE2-CD2 3.57Å; F308-Y432 HydrophobicContact CE2-CG 4.02Å; F308-Y432 VanDerWaalsContact CZ-CB 3.5Å; F308-Y432 HydrophobicContact CZ-CD2 4.19Å; F308-Y432 HydrophobicContact CZ-CG 4.2Å; F308-Y432 CarbonylContact O-C 3.57Å; F308-Y432 WeakPolarHBondContact O-CA 3.48Å; F308-I433 PolarHBondContact O-N 3.49Å; F308-Y532 HydrophobicContact CD2-CD1 4.41Å; F308-W535 HydrophobicContact CD1-CE3 4.24Å; F308-W535 HydrophobicContact CD1-CH2 4.44Å; F308-W535 AromaticContact CD1-CZ3 3.64Å; F308-W535 HydrophobicContact CD1-CZ3 3.64Å; F308-W535 AromaticContact CD2-CE3 3.92Å; F308-W535 HydrophobicContact CD2-CE3 3.92Å; F308-W535 HydrophobicContact CD2-CZ3 4.14Å; F308-W535 AromaticContact CE1-CE3 3.84Å; F308-W535 HydrophobicContact CE1-CE3 3.84Å; F308-W535 HydrophobicContact CE1-CH2 4.48Å; F308-W535 AromaticContact CE1-CZ3 3.38Å; F308-W535 HydrophobicContact CE1-CZ3 3.38Å; F308-W535 HydrophobicContact CE2-CD2 4.49Å; F308-W535 AromaticContact CE2-CE3 3.47Å; F308-W535 HydrophobicContact CE2-CE3 3.47Å; F308-W535 VanDerWaalsContact CE2-CE3 3.47Å; F308-W535 AromaticContact CE2-CZ3 3.89Å; F308-W535 HydrophobicContact CE2-CZ3 3.89Å; F308-W535 HydrophobicContact CG-CE3 4.27Å; F308-W535 HydrophobicContact CG-CZ3 4.01Å; F308-W535 AromaticContact CZ-CE3 3.41Å; F308-W535 HydrophobicContact CZ-CE3 3.41Å; F308-W535 VanDerWaalsContact CZ-CE3 3.41Å; F308-W535 AromaticContact CZ-CZ3 3.49Å; F308-W535 HydrophobicContact CZ-CZ3 3.49Å; F308-W535 VanDerWaalsContact CZ-CZ3 3.49Å; F308-N536 HydrophobicContact CE2-CB 4.11Å; F308-N536 HydrophobicContact CZ-CB 3.8Å
309G95.4Very high92.2Very high0 Ų029.1 Ų29.10%017%0.169CC..SBendtrans151.5-179.5178.400000111.5K315 T413 N414G309-K315 PolarHBondContact O-NZ 3.41Å; G309-T413 PolarHBondContact N-O 3.13Å; G309-N414 PolarHBondContact O-OD1 2.92Å
310P95.1Very high92.6Very high0 Ų021.8 Ų21.80%014%0.142CC..SBendtrans-53.5154.5-179.9-24.832.8000113.3T313 K315 L435 V524 Y532P310-T313 HydrophobicContact CB-CG2 4.07Å; P310-T313 HydrophobicContact CG-CG2 4.49Å; P310-T313 WeakPolarHBondContact O-CG2 3.32Å; P310-T313 PolarHBondContact O-OG1 2.92Å; P310-T313 VanDerWaalsContact O-OG1 3.06Å; P310-K315 PolarHBondContact O-NZ 3.41Å; P310-L435 HydrophobicContact CB-CD2 4.17Å; P310-L435 HydrophobicContact CG-CD2 4.33Å; P310-L435 HydrophobicContact CG-CG 4.39Å; P310-V524 HydrophobicContact CB-CG1 3.99Å; P310-V524 HydrophobicContact CB-CG2 4.08Å; P310-V524 HydrophobicContact CG-CG1 4.38Å; P310-Y532 HydrophobicContact CB-CE2 4.47Å; P310-Y532 HydrophobicContact CG-CD2 4.05Å; P310-Y532 HydrophobicContact CG-CE2 3.85Å
311P93.6Very high93Very high42 Ų4219 Ų1927%0.27312%0.119SC..THydrogen-bonded Turntrans-61.9152.3173.228.1-34.7000111T313 S475 V524P311-T313 VanDerWaalsContact C-N 3.32Å; P311-T313 PolarHBondContact O-N 2.93Å; P311-S475 WeakPolarHBondContact O-CB 3.33Å; P311-V524 HydrophobicContact CG-CG2 4.43Å
312G92.3Very high93.4Very high25 Ų2516.9 Ų16.926%0.25811%0.105SC..THydrogen-bonded Turntrans75.59.8176.100000116.2G476 A477G312-G476 WeakPolarHBondContact O-CA 3.42Å; G312-G476 PolarHBondContact O-N 3.27Å; G312-A477 PolarHBondContact O-N 3.44Å
313T93.7Very high93.8Very high15 Ų1516.1 Ų16.19%0.09210%0.1CC..SBendtrans-89.2-0.7178.160.50000114.7P310 P311 I433 P434 L435P310-T313 HydrophobicContact CB-CG2 4.07Å; P310-T313 HydrophobicContact CG-CG2 4.49Å; P310-T313 WeakPolarHBondContact O-CG2 3.32Å; P310-T313 PolarHBondContact O-OG1 2.92Å; P310-T313 VanDerWaalsContact O-OG1 3.06Å; P311-T313 VanDerWaalsContact C-N 3.32Å; P311-T313 PolarHBondContact O-N 2.93Å; T313-I433 WeakPolarHBondContact OG1-CG2 3.44Å; T313-I433 PolarHBondContact OG1-O 3.05Å; T313-P434 WeakPolarHBondContact CG2-O 3.5Å; T313-L435 HydrophobicContact CG2-CD2 4.03Å
314G92.8Very high94.1Very high28 Ų2814 Ų1429%0.28910%0.095SC..SBendtrans94.219.5174.300000116T316 L317 I318G314-T316 VanDerWaalsContact C-N 3.32Å; G314-T316 PolarHBondContact O-N 2.86Å; G314-L317 WeakPolarHBondContact O-CB 3.3Å; G314-L317 PolarHBondContact O-N 2.8Å; G314-L317 VanDerWaalsContact O-N 3.1Å; G314-I318 WeakPolarHBondContact O-CG1 3.46Å; G314-I318 PolarHBondContact O-N 2.77Å
315K95.3Very high94.1Very high10 Ų1017.1 Ų17.14%0.04311%0.11CC..Hα-helixtrans-50.5-47.7176.5-66-175.9-69.9-770113.2L307 G309 P310 I318 G319 A412 T413 N414 I433L307-K315 HydrophobicContact CB-CB 4.34Å; L307-K315 HydrophobicContact CB-CD 4.38Å; L307-K315 HydrophobicContact CB-CG 4.24Å; L307-K315 WeakPolarHBondContact CD1-O 3.41Å; G309-K315 PolarHBondContact O-NZ 3.41Å; P310-K315 PolarHBondContact O-NZ 3.41Å; K315-I318 PolarHBondContact O-N 2.91Å; K315-G319 PolarHBondContact O-N 3.4Å; K315-A412 HydrophobicContact CB-CB 4.13Å; K315-A412 HydrophobicContact CD-CB 4.47Å; K315-T413 WeakPolarHBondContact CE-O 3.28Å; K315-N414 WeakPolarHBondContact CE-OD1 3.11Å; K315-N414 PolarHBondContact NZ-OD1 3.12Å; K315-I433 HydrophobicContact CG-CB 4.22Å; K315-I433 HydrophobicContact CG-CG1 3.99Å
316T92.8Very high93.8Very high63 Ų6317.3 Ų17.339%0.38711%0.111SC..Hα-helixtrans-65.3-40.3177.9-42.60000112.1G314 G319 S320 F366 D368G314-T316 VanDerWaalsContact C-N 3.32Å; G314-T316 PolarHBondContact O-N 2.86Å; T316-G319 PolarHBondContact O-N 3.31Å; T316-S320 PolarHBondContact O-N 3.39Å; T316-F366 HydrophobicContact CG2-CE1 3.8Å; T316-F366 HydrophobicContact CG2-CZ 4.17Å; T316-D368 PolarHBondContact OG1-OD2 3.14Å; T316-D368 VanDerWaalsContact OG1-OD2 3.09Å
317L93.2Very high93.4Very high54 Ų5425.7 Ų25.728%0.28315%0.148SC..Hα-helixtrans-64.6-42.5176.6-169.3155.8000111.1Y266 V271 G314 S320 C321Y266-L317 HydrophobicContact CD1-CD1 4.47Å; Y266-L317 HydrophobicContact CD1-CG 4.32Å; Y266-L317 HydrophobicContact CG-CG 4.3Å; V271-L317 HydrophobicContact CB-CD2 4.23Å; V271-L317 HydrophobicContact CG2-CD2 3.24Å; G314-L317 WeakPolarHBondContact O-CB 3.3Å; G314-L317 PolarHBondContact O-N 2.8Å; G314-L317 VanDerWaalsContact O-N 3.1Å; L317-S320 PolarHBondContact O-N 3.29Å; L317-C321 WeakPolarHBondContact O-CB 3.33Å; L317-C321 PolarHBondContact O-N 2.94Å
318I94.5Very high93.1Very high3 Ų326.3 Ų26.32%0.01515%0.153CC..Hα-helixtrans-61.9-44.4175-66.7166.1000110.7V271 L274 I281 L307 G314 K315 S320 C321 I322 I433V271-I318 HydrophobicContact CG1-CG1 4.27Å; V271-I318 HydrophobicContact CG2-CG1 4.28Å; L274-I318 HydrophobicContact CD1-CD1 3.79Å; I281-I318 HydrophobicContact CD1-CG2 3.64Å; L307-I318 HydrophobicContact CD1-CB 4.19Å; L307-I318 HydrophobicContact CD1-CG2 3.94Å; G314-I318 WeakPolarHBondContact O-CG1 3.46Å; G314-I318 PolarHBondContact O-N 2.77Å; K315-I318 PolarHBondContact O-N 2.91Å; I318-S320 VanDerWaalsContact C-N 3.35Å; I318-S320 PolarHBondContact O-N 2.76Å; I318-C321 WeakPolarHBondContact O-CB 3.26Å; I318-C321 PolarHBondContact O-N 2.86Å; I318-I322 HydrophobicContact CG2-CD1 3.94Å; I318-I322 HydrophobicContact CG2-CG1 4.42Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.48Å; I318-I322 PolarHBondContact O-N 2.78Å; I318-I433 HydrophobicContact CD1-CD1 3.78Å; I318-I433 HydrophobicContact CD1-CG1 4.21Å; I318-I433 HydrophobicContact CD1-CG2 4.03Å
319G93.4Very high92.9Very high0 Ų027.7 Ų27.70%016%0.161CC..Hα-helixtrans-57.4-45.7176.600000112.9K315 T316 I322 A323K315-G319 PolarHBondContact O-N 3.4Å; T316-G319 PolarHBondContact O-N 3.31Å; G319-I322 PolarHBondContact O-N 3.29Å; G319-A323 PolarHBondContact O-N 2.83Å
320S92.9Very high92.9Very high7 Ų727.8 Ų27.85%0.04916%0.162CC..Hα-helixtrans-67.5-38.9176.1-169.70000112.4Y266 T316 L317 I318 I322 A323 S324Y266-S320 WeakPolarHBondContact CD2-OG 3.46Å; T316-S320 PolarHBondContact O-N 3.39Å; L317-S320 PolarHBondContact O-N 3.29Å; I318-S320 VanDerWaalsContact C-N 3.35Å; I318-S320 PolarHBondContact O-N 2.76Å; S320-I322 PolarHBondContact O-N 3.03Å; S320-A323 PolarHBondContact O-N 3.3Å; S320-S324 PolarHBondContact O-N 2.79Å
321C94.1Very high92.9Very high0 Ų027.8 Ų27.80%016%0.162CC..Hα-helixtrans-60.4-43.8174.9-176.50000111.8Y266 S267 W268 V271 L317 I318 A323 S324 Q325Y266-C321 WeakPolarHBondContact O-CA 3.26Å; S267-C321 PolarHBondContact O-SG 3.15Å; S267-C321 VanDerWaalsContact O-SG 3.41Å; W268-C321 PolarHBondContact N-SG 2.85Å; V271-C321 HydrophobicContact CG2-CB 4.47Å; L317-C321 WeakPolarHBondContact O-CB 3.33Å; L317-C321 PolarHBondContact O-N 2.94Å; I318-C321 WeakPolarHBondContact O-CB 3.26Å; I318-C321 PolarHBondContact O-N 2.86Å; C321-A323 VanDerWaalsContact C-N 3.33Å; C321-A323 PolarHBondContact O-N 3.41Å; C321-S324 PolarHBondContact O-N 3.46Å; C321-Q325 WeakPolarHBondContact O-CB 3.4Å; C321-Q325 WeakPolarHBondContact O-CG 3.43Å; C321-Q325 PolarHBondContact O-N 3.49Å
322I93.6Very high92.9Very high1 Ų126.7 Ų26.71%0.00516%0.155CC..Hα-helixtrans-56.6-48176.2-70.8165.7000111W268 I281 V285 I318 G319 S320 S324 Q325 C326 L408 I410W268-I322 HydrophobicContact CH2-CG1 4.25Å; I281-I322 HydrophobicContact CD1-CD1 4.19Å; I281-I322 HydrophobicContact CG1-CD1 4.48Å; I281-I322 HydrophobicContact CG2-CD1 3.64Å; I281-I322 HydrophobicContact CG2-CG1 3.53Å; V285-I322 HydrophobicContact CG1-CG2 3.56Å; I318-I322 HydrophobicContact CG2-CD1 3.94Å; I318-I322 HydrophobicContact CG2-CG1 4.42Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.48Å; I318-I322 PolarHBondContact O-N 2.78Å; G319-I322 PolarHBondContact O-N 3.29Å; S320-I322 PolarHBondContact O-N 3.03Å; I322-S324 PolarHBondContact O-N 3.13Å; I322-Q325 PolarHBondContact O-N 2.89Å; I322-C326 WeakPolarHBondContact O-CB 3.33Å; I322-C326 PolarHBondContact O-N 3.46Å; I322-C326 PolarHBondContact O-SG 3.35Å; I322-L408 HydrophobicContact CG2-CD2 4.25Å; I322-I410 HydrophobicContact CB-CD1 4.17Å; I322-I410 HydrophobicContact CD1-CD1 3.79Å; I322-I410 HydrophobicContact CG2-CD1 3.91Å
323A92.9Very high92.9Very high0 Ų025.9 Ų25.90%015%0.145CC..Hα-helixtrans-63.3-41.9-179.400000112.2A264 G319 S320 C321 Q325 C326 K327 A328 F330 V364A264-A323 HydrophobicContact CB-CB 3.94Å; G319-A323 PolarHBondContact O-N 2.83Å; S320-A323 PolarHBondContact O-N 3.3Å; C321-A323 VanDerWaalsContact C-N 3.33Å; C321-A323 PolarHBondContact O-N 3.41Å; A323-Q325 PolarHBondContact O-N 3.23Å; A323-C326 PolarHBondContact O-N 3.25Å; A323-K327 PolarHBondContact O-N 3.28Å; A323-K327 VanDerWaalsContact O-N 3.15Å; A323-A328 PolarHBondContact O-N 3.26Å; A323-F330 HydrophobicContact CB-CB 3.72Å; A323-F330 HydrophobicContact CB-CD2 3.42Å; A323-F330 VanDerWaalsContact CB-CD2 3.42Å; A323-F330 HydrophobicContact CB-CE2 4.26Å; A323-F330 HydrophobicContact CB-CG 3.84Å; A323-V364 HydrophobicContact CB-CB 3.96Å; A323-V364 HydrophobicContact CB-CG1 4.34Å; A323-V364 HydrophobicContact CB-CG2 4.03Å
324S92.7Very high92.9Very high41 Ų4126.6 Ų26.629%0.28715%0.15SC..Hα-helixtrans-60.5-45.9176.1-164.50000111.6A264 Y266 S320 C321 I322 C326 K327A264-S324 VanDerWaalsContact O-CB 3.26Å; A264-S324 WeakPolarHBondContact O-CB 3.21Å; A264-S324 PolarHBondContact O-OG 2.93Å; Y266-S324 VanDerWaalsContact O-CB 3.26Å; Y266-S324 WeakPolarHBondContact O-CB 3.42Å; S320-S324 PolarHBondContact O-N 2.79Å; C321-S324 PolarHBondContact O-N 3.46Å; I322-S324 PolarHBondContact O-N 3.13Å; S324-C326 VanDerWaalsContact C-N 3.32Å; S324-C326 PolarHBondContact O-N 3.31Å; S324-K327 PolarHBondContact O-N 2.95Å; S324-K327 VanDerWaalsContact O-N 3.07Å
325Q91.6Very high92.6Very high66 Ų6625.2 Ų25.231%0.30814%0.137SC..Hα-helixtrans-70.3-28.5-178.6-64.6-71.4-43.900112.8W268 V286 C321 I322 A323 K327W268-Q325 VanDerWaalsContact CD1-OE1 3.23Å; W268-Q325 HydrophobicContact CG-CG 4.42Å; W268-Q325 HydrophobicContact CZ2-CG 4.43Å; W268-Q325 VanDerWaalsContact NE1-CG 3.33Å; V286-Q325 HydrophobicContact CG1-CB 4.4Å; V286-Q325 HydrophobicContact CG2-CB 4.46Å; C321-Q325 WeakPolarHBondContact O-CB 3.4Å; C321-Q325 WeakPolarHBondContact O-CG 3.43Å; C321-Q325 PolarHBondContact O-N 3.49Å; I322-Q325 PolarHBondContact O-N 2.89Å; A323-Q325 PolarHBondContact O-N 3.23Å; Q325-K327 VanDerWaalsContact C-N 3.3Å
326C89Confident92.2Very high6 Ų626.8 Ų26.84%0.04115%0.149CC..THydrogen-bonded Turntrans-82.7-4.6173.2-61.50000113.3M289 I322 A323 S324 A328M289-C326 HydrophobicContact CB-CB 4.14Å; M289-C326 HydrophobicContact CG-CB 4.4Å; I322-C326 WeakPolarHBondContact O-CB 3.33Å; I322-C326 PolarHBondContact O-N 3.46Å; I322-C326 PolarHBondContact O-SG 3.35Å; A323-C326 PolarHBondContact O-N 3.25Å; S324-C326 VanDerWaalsContact C-N 3.32Å; S324-C326 PolarHBondContact O-N 3.31Å; C326-A328 HydrophobicContact CB-CB 4.02Å; C326-A328 PolarHBondContact O-N 3.03Å
327K88.7Confident91.7Very high179 Ų17925.6 Ų25.678%0.77814%0.143SC*.THydrogen-bonded Turntrans50.641.2-169.8-57.5-179.3179.5-178.60111.9A323 S324 Q325A323-K327 PolarHBondContact O-N 3.28Å; A323-K327 VanDerWaalsContact O-N 3.15Å; S324-K327 PolarHBondContact O-N 2.95Å; S324-K327 VanDerWaalsContact O-N 3.07Å; Q325-K327 VanDerWaalsContact C-N 3.3Å
328A90.7Very high91.2Very high12 Ų1223.2 Ų23.210%0.09913%0.13CC..  trans-105.8151.4-174.600000111.4A323 C326 F330 P362 V364A323-A328 PolarHBondContact O-N 3.26Å; C326-A328 HydrophobicContact CB-CB 4.02Å; C326-A328 PolarHBondContact O-N 3.03Å; A328-F330 PolarHBondContact O-N 3.47Å; A328-P362 CarbonylContact C-O 3.53Å; A328-P362 VanDerWaalsContact CA-O 3.28Å; A328-P362 WeakPolarHBondContact CA-O 2.89Å; A328-P362 HydrophobicContact CB-CB 4.2Å; A328-P362 HydrophobicContact CB-CG 4.45Å; A328-P362 WeakPolarHBondContact CB-O 2.76Å; A328-V364 HydrophobicContact CB-CG2 3.88Å
329T93.1Very high90.3Very high29 Ų2924.8 Ų24.818%0.17814%0.141CC..EExtended strand (participates in β ladder)trans-65.6126.8171.1-520000109.1V261 F331 R360 P362 S363 V364V261-T329 HydrophobicContact CG1-CG2 3.97Å; T329-F331 HydrophobicContact CG2-CD2 4.21Å; T329-F331 HydrophobicContact CG2-CE2 3.57Å; T329-F331 HydrophobicContact CG2-CZ 3.88Å; T329-R360 HydrophobicContact CG2-CB 4.41Å; T329-R360 PolarHBondContact OG1-O 3.22Å; T329-P362 PolarHBondContact N-O 2.83Å; T329-S363 WeakPolarHBondContact O-CA 3.43Å; T329-V364 PolarHBondContact O-N 3.46Å
330F95.1Very high89.4Confident3 Ų328.7 Ų28.71%0.01317%0.168CC..EExtended strand (participates in β ladder)trans-99.9114.3-177.4-174.6-123.6000111Q262 A264 A323 A328 V364 F366Q262-F330 HydrophobicContact CB-CD1 3.97Å; Q262-F330 PolarHBondContact N-O 3.41Å; A264-F330 HydrophobicContact CB-CB 4Å; A264-F330 HydrophobicContact CB-CG 4.47Å; A323-F330 HydrophobicContact CB-CB 3.72Å; A323-F330 HydrophobicContact CB-CD2 3.42Å; A323-F330 VanDerWaalsContact CB-CD2 3.42Å; A323-F330 HydrophobicContact CB-CE2 4.26Å; A323-F330 HydrophobicContact CB-CG 3.84Å; A328-F330 PolarHBondContact O-N 3.47Å; F330-V364 HydrophobicContact CD2-CB 4.36Å; F330-V364 HydrophobicContact CD2-CG1 4.2Å; F330-V364 HydrophobicContact CE2-CG1 4.42Å; F330-F366 HydrophobicContact CD2-CB 4.36Å; F330-F366 HydrophobicContact CE2-CB 3.38Å; F330-F366 HydrophobicContact CE2-CG 4.07Å; F330-F366 HydrophobicContact CZ-CB 3.65Å; F330-F366 HydrophobicContact CZ-CD1 4.25Å; F330-F366 AromaticContact CZ-CG 3.97Å; F330-F366 HydrophobicContact CZ-CG 3.97Å
331F94.7Very high88.4Confident0 Ų034.5 Ų34.50%019%0.192CC..EExtended strand (participates in β ladder)trans-101.6109.2173.3-63.8-96.5000108.1I256 I260 V261 T329 L353 V356 A357 R360 S363 V364 I365 F366I256-F331 HydrophobicContact CG2-CD1 4.16Å; I256-F331 HydrophobicContact CG2-CE1 4.05Å; I260-F331 HydrophobicContact CG2-CB 3.85Å; I260-F331 HydrophobicContact CG2-CD1 4.08Å; I260-F331 HydrophobicContact CG2-CG 4.48Å; I260-F331 WeakPolarHBondContact O-CA 3.27Å; V261-F331 HydrophobicContact CG2-CD1 3.68Å; V261-F331 HydrophobicContact CG2-CE1 3.43Å; V261-F331 VanDerWaalsContact CG2-CE1 3.43Å; V261-F331 HydrophobicContact CG2-CZ 4.15Å; T329-F331 HydrophobicContact CG2-CD2 4.21Å; T329-F331 HydrophobicContact CG2-CE2 3.57Å; T329-F331 HydrophobicContact CG2-CZ 3.88Å; F331-L353 HydrophobicContact CB-CD1 4.27Å; F331-L353 HydrophobicContact CD1-CD1 3.87Å; F331-L353 HydrophobicContact CG-CD1 4.33Å; F331-V356 HydrophobicContact CE1-CG1 3.89Å; F331-V356 HydrophobicContact CZ-CG1 4.1Å; F331-A357 HydrophobicContact CD2-CB 4.09Å; F331-A357 HydrophobicContact CE2-CB 3.75Å; F331-A357 HydrophobicContact CZ-CB 4Å; F331-R360 HydrophobicContact CZ-CB 4.3Å; F331-S363 WeakPolarHBondContact CE2-OG 3.29Å; F331-V364 PolarHBondContact N-O 3.39Å; F331-I365 HydrophobicContact CB-CG1 4.2Å; F331-I365 HydrophobicContact CD2-CG1 4.43Å; F331-I365 CarbonylContact O-C 3.59Å; F331-F366 PolarHBondContact O-N 3.38Å
332S94.1Very high87.3Confident19 Ų1936.5 Ų36.513%0.13320%0.2CC..EExtended strand (participates in β ladder)trans-109113.5179.6177.50000109.9I260I260-S332 PolarHBondContact O-N 3.34Å
333V93Very high86Confident8 Ų842 Ų425%0.04823%0.233CC..EExtended strand (participates in β ladder)trans-126.5141179.565.20000110.2I260 L338 L353 F366 I367 D368I260-V333 HydrophobicContact CD1-CG2 4.43Å; I260-V333 HydrophobicContact CG2-CB 4.26Å; V333-L338 HydrophobicContact CG1-CD1 4.43Å; V333-L338 HydrophobicContact CG2-CD1 4.04Å; V333-L338 HydrophobicContact CG2-CD2 3.71Å; V333-L338 HydrophobicContact CG2-CG 3.63Å; V333-L353 HydrophobicContact CG1-CD2 4.27Å; V333-F366 PolarHBondContact N-O 3Å; V333-I367 HydrophobicContact CG1-CB 4.37Å; V333-I367 HydrophobicContact CG1-CG1 3.86Å; V333-I367 HydrophobicContact CG1-CG2 4.34Å; V333-I367 CarbonylContact O-C 3.57Å; V333-I367 VanDerWaalsContact O-CA 3.24Å; V333-I367 WeakPolarHBondContact O-CA 3.05Å; V333-D368 PolarHBondContact O-N 2.83Å
334S92Very high85.1Confident29 Ų2945.2 Ų45.220%0.20327%0.266CS..EExtended strand (participates in β ladder)trans-93.1132168.5172.30000109.5S336 S337 L338S334-S336 PolarHBondContact O-N 3.42Å; S334-S336 PolarHBondContact OG-N 3.05Å; S334-S336 PolarHBondContact OG-OG 3.45Å; S334-S337 WeakPolarHBondContact O-CA 3.42Å; S334-S337 WeakPolarHBondContact O-CB 3.34Å; S334-S337 PolarHBondContact O-N 3.3Å; S334-L338 PolarHBondContact O-N 3.45Å
335A88.4Confident84.5Confident0 Ų047.4 Ų47.40%027%0.272CS..Hα-helixtrans-58.7-31.3177.400000112.9S337 L338 T339 I367 D368 E369 S372 L373A335-S337 VanDerWaalsContact C-N 3.33Å; A335-L338 PolarHBondContact O-N 3.05Å; A335-T339 WeakPolarHBondContact O-CG2 3.47Å; A335-T339 PolarHBondContact O-N 2.61Å; A335-T339 PolarHBondContact O-OG1 3.18Å; A335-I367 HydrophobicContact CB-CG2 3.98Å; A335-D368 WeakPolarHBondContact CB-O 3.22Å; A335-D368 PolarHBondContact N-O 2.75Å; A335-E369 VanDerWaalsContact CB-O 3.29Å; A335-E369 WeakPolarHBondContact CB-O 3.35Å; A335-S372 WeakPolarHBondContact CB-OG 3.39Å; A335-L373 HydrophobicContact CB-CB 3.64Å
336S85Confident84.1Confident43 Ų4344.4 Ų44.430%0.30126%0.259SS..Hα-helixtrans-69.6-30.5173.661.80000112.6S334 T339 S340 E369 S372S334-S336 PolarHBondContact O-N 3.42Å; S334-S336 PolarHBondContact OG-N 3.05Å; S334-S336 PolarHBondContact OG-OG 3.45Å; S336-T339 PolarHBondContact O-N 3.34Å; S336-T339 PolarHBondContact O-OG1 2.8Å; S336-T339 VanDerWaalsContact O-OG1 3.08Å; S336-S340 WeakPolarHBondContact O-CB 3.31Å; S336-S340 PolarHBondContact O-N 3.43Å; S336-S340 VanDerWaalsContact O-N 3.14Å; S336-S340 PolarHBondContact O-OG 3.09Å; S336-E369 PolarHBondContact OG-OE2 3.38Å; S336-S372 PolarHBondContact N-OG 2.84Å
337S83.9Confident84.1Confident38 Ų3847.5 Ų47.527%0.26627%0.272SS..Hα-helixtrans-70.6-37.6173.9-64.70000112S334 A335 T339 K341S334-S337 WeakPolarHBondContact O-CA 3.42Å; S334-S337 WeakPolarHBondContact O-CB 3.34Å; S334-S337 PolarHBondContact O-N 3.3Å; A335-S337 VanDerWaalsContact C-N 3.33Å; S337-T339 PolarHBondContact O-N 3.09Å; S337-K341 PolarHBondContact O-N 2.91Å
338L81.7Confident84.1Confident3 Ų344.3 Ų44.32%0.01626%0.259CS..Hα-helixtrans-59.1-35.8175.6-71176.3000112.5V333 S334 A335 L349 L373 M388V333-L338 HydrophobicContact CG1-CD1 4.43Å; V333-L338 HydrophobicContact CG2-CD1 4.04Å; V333-L338 HydrophobicContact CG2-CD2 3.71Å; V333-L338 HydrophobicContact CG2-CG 3.63Å; S334-L338 PolarHBondContact O-N 3.45Å; A335-L338 PolarHBondContact O-N 3.05Å; L338-L349 HydrophobicContact CD2-CD2 3.45Å; L338-L349 VanDerWaalsContact CD2-CD2 3.45Å; L338-L349 HydrophobicContact CD2-CG 4.17Å; L338-L373 HydrophobicContact CD1-CD2 4.14Å; L338-M388 HydrophobicContact CB-SD 4.1Å
339T76.7Confident84.1Confident37 Ų3743.8 Ų43.823%0.22725%0.254CS..Hα-helixtrans-92.5-29-171.555.30000113.4A335 S336 S337 L373 M385 M388A335-T339 WeakPolarHBondContact O-CG2 3.47Å; A335-T339 PolarHBondContact O-N 2.61Å; A335-T339 PolarHBondContact O-OG1 3.18Å; S336-T339 PolarHBondContact O-N 3.34Å; S336-T339 PolarHBondContact O-OG1 2.8Å; S336-T339 VanDerWaalsContact O-OG1 3.08Å; S337-T339 PolarHBondContact O-N 3.09Å; T339-L373 HydrophobicContact CG2-CD1 4.21Å; T339-M385 HydrophobicContact CG2-CE 3.36Å; T339-M385 HydrophobicContact CG2-SD 3.56Å; T339-M385 VanDerWaalsContact CG2-SD 3.56Å; T339-M388 HydrophobicContact CG2-CE 4.35Å; T339-M388 HydrophobicContact CG2-SD 4.18Å
340S73.4Confident84Confident81 Ų8142.5 Ų42.557%0.56625%0.246SC*.Hα-helixtrans-93.1-43-176.157.70000114.2S336S336-S340 WeakPolarHBondContact O-CB 3.31Å; S336-S340 PolarHBondContact O-N 3.43Å; S336-S340 VanDerWaalsContact O-N 3.14Å; S336-S340 PolarHBondContact O-OG 3.09Å
341K73.2Confident83.8Confident129 Ų12947.2 Ų47.256%0.56126%0.264SS*.THydrogen-bonded Turntrans-81.1-24.8-177.1-66.8-177.7176.2-175.70113S337S337-K341 PolarHBondContact O-N 2.91Å
342W70.3Confident83.7Confident43 Ų4347.5 Ų47.516%0.16327%0.265CS..  trans-120.643.9-166.8-44.9101.6000112.7M255 G344 E345 G346 L349M255-W342 HydrophobicContact CE-CE3 4.19Å; M255-W342 HydrophobicContact CE-CH2 3.33Å; M255-W342 HydrophobicContact CE-CZ2 4.4Å; M255-W342 HydrophobicContact CE-CZ3 3.18Å; M255-W342 HydrophobicContact CG-CH2 3.84Å; M255-W342 HydrophobicContact CG-CZ2 4.24Å; M255-W342 HydrophobicContact SD-CE3 4.06Å; M255-W342 HydrophobicContact SD-CH2 2.99Å; M255-W342 WeakPolarHBondContact SD-CH2 3.49Å; M255-W342 HydrophobicContact SD-CZ2 3.5Å; M255-W342 WeakPolarHBondContact SD-CZ2 3.27Å; M255-W342 HydrophobicContact SD-CZ3 3.3Å; M255-W342 WeakPolarHBondContact SD-CZ3 3.41Å; W342-G344 PolarHBondContact O-N 3.26Å; W342-G344 VanDerWaalsContact O-N 3.16Å; W342-E345 PolarHBondContact O-N 3.17Å; W342-G346 PolarHBondContact O-N 3.15Å; W342-G346 VanDerWaalsContact O-N 3.08Å; W342-L349 HydrophobicContact CB-CD2 4.04Å; W342-L349 HydrophobicContact CD2-CD2 3.83Å; W342-L349 HydrophobicContact CG-CD2 3.43Å; W342-L349 VanDerWaalsContact CG-CD2 3.43Å
343V66.1Low83.6Confident117 Ų11746.7 Ų46.771%0.70926%0.26SS*.THydrogen-bonded Turntrans-64.6117.5179.4-176.70000109.3
344G74Confident83.6Confident67 Ų6746.3 Ų46.369%0.69126%0.257SS*.THydrogen-bonded Turntrans97-21.3-179.700000114.7W342W342-G344 PolarHBondContact O-N 3.26Å; W342-G344 VanDerWaalsContact O-N 3.16Å
345E80.4Confident83.6Confident87 Ų8745.3 Ų45.341%0.40725%0.251SS..THydrogen-bonded Turntrans-113.3-4.6-179.3-63.5-168.1167.700114.3W342 E347 K348 L349W342-E345 PolarHBondContact O-N 3.17Å; E345-E347 PolarHBondContact O-N 3.03Å; E345-E347 VanDerWaalsContact O-N 3.09Å; E345-K348 WeakPolarHBondContact O-CB 3.44Å; E345-K348 PolarHBondContact O-N 3.26Å; E345-L349 PolarHBondContact O-N 3.07Å
346G83.7Confident83.8Confident3 Ų345.3 Ų45.33%0.03125%0.251CS..Hα-helixtrans-58.2-28.9-173.400000115.5W342 L349 V350W342-G346 PolarHBondContact O-N 3.15Å; W342-G346 VanDerWaalsContact O-N 3.08Å; G346-L349 PolarHBondContact O-N 3.46Å; G346-V350 VanDerWaalsContact O-CG2 3.29Å; G346-V350 WeakPolarHBondContact O-CG2 3.47Å; G346-V350 PolarHBondContact O-N 3.02Å
347E87.4Confident84.1Confident70 Ų7043.3 Ų43.333%0.32724%0.237SC..Hα-helixtrans-63.6-48.2171.9-171.7-169.9137.700111.6E345 L349 V350 R351 E391E345-E347 PolarHBondContact O-N 3.03Å; E345-E347 VanDerWaalsContact O-N 3.09Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 2.95Å; E347-V350 PolarHBondContact O-N 3.24Å; E347-R351 PolarHBondContact O-N 2.96Å; E347-R351 IonicContact OE1-CZ 3.86Å; E347-R351 IonicContact OE1-NH1 3.74Å; E347-R351 IonicContact OE1-NH2 3.87Å; E347-R351 PolarHBondContact OE1-NH2 2.97Å; E347-E391 HydrophobicContact CG-CB 3.74Å; E347-E391 HydrophobicContact CG-CG 3.74Å
348K89.4Confident84.5Confident113 Ų11344.5 Ų44.549%0.49124%0.235SC..Hα-helixtrans-61.7-43.2176.3-65.7-179.1179.4178.10110.3L252 E345 V350 R351 T352L252-K348 HydrophobicContact CD1-CB 4.01Å; E345-K348 WeakPolarHBondContact O-CB 3.44Å; E345-K348 PolarHBondContact O-N 3.26Å; K348-V350 PolarHBondContact O-N 2.86Å; K348-R351 WeakPolarHBondContact O-CB 3.31Å; K348-R351 PolarHBondContact O-N 2.94Å; K348-T352 WeakPolarHBondContact O-CB 3.25Å; K348-T352 PolarHBondContact O-N 3.28Å; K348-T352 PolarHBondContact O-OG1 3.34Å
349L89.7Confident84.8Confident1 Ų144.6 Ų44.61%0.00524%0.237CC..Hα-helixtrans-60.7-45178.9-177.366.2000112.1M255 I256 L338 W342 E345 G346 E347 R351 T352 L353M255-L349 HydrophobicContact SD-CD1 4.41Å; I256-L349 HydrophobicContact CD1-CD1 3.83Å; I256-L349 HydrophobicContact CG1-CD1 3.91Å; L338-L349 HydrophobicContact CD2-CD2 3.45Å; L338-L349 VanDerWaalsContact CD2-CD2 3.45Å; L338-L349 HydrophobicContact CD2-CG 4.17Å; W342-L349 HydrophobicContact CB-CD2 4.04Å; W342-L349 HydrophobicContact CD2-CD2 3.83Å; W342-L349 HydrophobicContact CG-CD2 3.43Å; W342-L349 VanDerWaalsContact CG-CD2 3.43Å; E345-L349 PolarHBondContact O-N 3.07Å; G346-L349 PolarHBondContact O-N 3.46Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 2.95Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 2.64Å; L349-T352 PolarHBondContact O-N 3Å; L349-L353 VanDerWaalsContact O-CB 3.26Å; L349-L353 WeakPolarHBondContact O-CB 3.42Å; L349-L353 PolarHBondContact O-N 3.2Å
350V91.9Very high85.4Confident2 Ų245.9 Ų45.91%0.01224%0.237CC..Hα-helixtrans-61-44.9175.7170.20000110.4G346 E347 K348 T352 L353 F354 M388 E391 F392 Q395G346-V350 VanDerWaalsContact O-CG2 3.29Å; G346-V350 WeakPolarHBondContact O-CG2 3.47Å; G346-V350 PolarHBondContact O-N 3.02Å; E347-V350 PolarHBondContact O-N 3.24Å; K348-V350 PolarHBondContact O-N 2.86Å; V350-T352 PolarHBondContact O-N 3.47Å; V350-L353 PolarHBondContact O-N 2.93Å; V350-F354 HydrophobicContact CG1-CD2 4.18Å; V350-F354 HydrophobicContact CG1-CE2 4.22Å; V350-F354 WeakPolarHBondContact O-CD2 3.44Å; V350-F354 PolarHBondContact O-N 3.35Å; V350-F354 VanDerWaalsContact O-N 3.14Å; V350-M388 HydrophobicContact CG2-CG 3.94Å; V350-E391 HydrophobicContact CB-CG 4.29Å; V350-E391 HydrophobicContact CG1-CG 4.04Å; V350-F392 HydrophobicContact CG1-CB 4.12Å; V350-F392 HydrophobicContact CG1-CD2 4.19Å; V350-Q395 HydrophobicContact CG1-CG 4.19Å
351R91.5Very high86.1Confident102 Ų10243.7 Ų43.739%0.38522%0.222SC..Hα-helixtrans-60.8-46.1176.8-169.9174.6-59.8137.14.1112.3E347 K348 L349 F354 A355 E391E347-R351 PolarHBondContact O-N 2.96Å; E347-R351 IonicContact OE1-CZ 3.86Å; E347-R351 IonicContact OE1-NH1 3.74Å; E347-R351 IonicContact OE1-NH2 3.87Å; E347-R351 PolarHBondContact OE1-NH2 2.97Å; K348-R351 WeakPolarHBondContact O-CB 3.31Å; K348-R351 PolarHBondContact O-N 2.94Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 2.64Å; R351-F354 PolarHBondContact O-N 3.09Å; R351-A355 WeakPolarHBondContact O-CB 3.43Å; R351-A355 PolarHBondContact O-N 3.4Å; R351-E391 IonicContact CZ-OE1 3.42Å; R351-E391 IonicContact CZ-OE2 2.66Å; R351-E391 IonicContact NE-OE1 2.75Å; R351-E391 PolarHBondContact NE-OE1 3.07Å; R351-E391 IonicContact NE-OE2 3.4Å; R351-E391 IonicContact NH2-OE1 2.75Å; R351-E391 PolarHBondContact NH2-OE1 3.29Å; R351-E391 IonicContact NH2-OE2 3.49Å; R351-E391 PolarHBondContact NH2-OE2 3.17Å
352T91.5Very high86.9Confident5 Ų538.9 Ų38.93%0.03120%0.204CC..Hα-helixtrans-64.2-43.5177.3-55.30000111.5I248 L252 V253 I256 K348 L349 V350 F354 A355 V356I248-T352 HydrophobicContact CG2-CG2 3.5Å; I248-T352 WeakPolarHBondContact CG2-OG1 2.97Å; L252-T352 HydrophobicContact CB-CG2 4.13Å; V253-T352 HydrophobicContact CG2-CG2 3.71Å; I256-T352 HydrophobicContact CD1-CG2 3.42Å; I256-T352 VanDerWaalsContact CD1-CG2 3.42Å; K348-T352 WeakPolarHBondContact O-CB 3.25Å; K348-T352 PolarHBondContact O-N 3.28Å; K348-T352 PolarHBondContact O-OG1 3.34Å; L349-T352 PolarHBondContact O-N 3Å; V350-T352 PolarHBondContact O-N 3.47Å; T352-F354 VanDerWaalsContact C-N 3.34Å; T352-F354 PolarHBondContact O-N 2.73Å; T352-A355 PolarHBondContact O-N 2.83Å; T352-A355 VanDerWaalsContact O-N 3.15Å; T352-V356 HydrophobicContact CG2-CG2 4.01Å; T352-V356 VanDerWaalsContact O-CG2 3.31Å; T352-V356 WeakPolarHBondContact O-CG2 3.34Å; T352-V356 PolarHBondContact O-N 2.82Å
353L92.7Very high88Confident3 Ų336.8 Ų36.82%0.01620%0.196CC..Hα-helixtrans-56-48.9178.4175.363.4000111.1I256 I260 F331 V333 L349 V350 A357 I365I256-L353 HydrophobicContact CD1-CB 4.22Å; I256-L353 HydrophobicContact CG2-CD1 4.1Å; I260-L353 HydrophobicContact CG2-CD1 3.95Å; F331-L353 HydrophobicContact CB-CD1 4.27Å; F331-L353 HydrophobicContact CD1-CD1 3.87Å; F331-L353 HydrophobicContact CG-CD1 4.33Å; V333-L353 HydrophobicContact CG1-CD2 4.27Å; L349-L353 VanDerWaalsContact O-CB 3.26Å; L349-L353 WeakPolarHBondContact O-CB 3.42Å; L349-L353 PolarHBondContact O-N 3.2Å; V350-L353 PolarHBondContact O-N 2.93Å; L353-A357 VanDerWaalsContact O-CB 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.31Å; L353-A357 PolarHBondContact O-N 3.45Å; L353-I365 HydrophobicContact CD2-CG2 4.22Å; L353-I365 HydrophobicContact CG-CD1 4.44Å
354F93.2Very high89.3Confident0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-67.8-38177.7-84.6-98.8000112.2V350 R351 T352 A357 R358 I365 F392 Q395 M396 V399 L407 V409V350-F354 HydrophobicContact CG1-CD2 4.18Å; V350-F354 HydrophobicContact CG1-CE2 4.22Å; V350-F354 WeakPolarHBondContact O-CD2 3.44Å; V350-F354 PolarHBondContact O-N 3.35Å; V350-F354 VanDerWaalsContact O-N 3.14Å; R351-F354 PolarHBondContact O-N 3.09Å; T352-F354 VanDerWaalsContact C-N 3.34Å; T352-F354 PolarHBondContact O-N 2.73Å; F354-A357 PolarHBondContact O-N 3.47Å; F354-R358 WeakPolarHBondContact O-CB 3.28Å; F354-R358 VanDerWaalsContact O-CG 3.25Å; F354-R358 WeakPolarHBondContact O-CG 3.39Å; F354-R358 PolarHBondContact O-N 3Å; F354-I365 HydrophobicContact CD1-CD1 4.02Å; F354-I365 HydrophobicContact CD2-CD1 4.27Å; F354-I365 HydrophobicContact CE1-CD1 4Å; F354-I365 HydrophobicContact CE2-CD1 4.27Å; F354-I365 HydrophobicContact CG-CD1 4.17Å; F354-I365 HydrophobicContact CZ-CD1 4.15Å; F354-F392 AromaticContact CE2-CD2 3.87Å; F354-F392 HydrophobicContact CE2-CD2 3.87Å; F354-F392 AromaticContact CE2-CE2 3.8Å; F354-F392 HydrophobicContact CE2-CE2 3.8Å; F354-F392 HydrophobicContact CZ-CD2 4.24Å; F354-F392 AromaticContact CZ-CE2 3.85Å; F354-F392 HydrophobicContact CZ-CE2 3.85Å; F354-Q395 HydrophobicContact CB-CB 4.21Å; F354-Q395 HydrophobicContact CB-CG 4.23Å; F354-Q395 HydrophobicContact CD1-CB 3.78Å; F354-Q395 HydrophobicContact CD2-CB 3.65Å; F354-Q395 HydrophobicContact CD2-CG 4.03Å; F354-Q395 HydrophobicContact CE1-CB 3.96Å; F354-Q395 HydrophobicContact CE2-CB 3.83Å; F354-Q395 HydrophobicContact CG-CB 3.61Å; F354-Q395 HydrophobicContact CG-CG 4.08Å; F354-Q395 HydrophobicContact CZ-CB 3.98Å; F354-M396 HydrophobicContact CZ-CG 4.1Å; F354-V399 HydrophobicContact CD1-CG2 4.11Å; F354-V399 HydrophobicContact CE1-CG2 3.74Å; F354-L407 HydrophobicContact CD1-CD2 3.76Å; F354-L407 HydrophobicContact CE1-CD2 4.2Å; F354-V409 HydrophobicContact CE1-CG2 3.91Å; F354-V409 HydrophobicContact CZ-CG2 4.01Å
355A91.5Very high90.3Very high8 Ų828 Ų287%0.06613%0.129CC..Hα-helixtrans-64.4-44.3176.700000112.8I244 I248 R351 T352 R358 A359I244-A355 HydrophobicContact CG2-CB 4.39Å; I248-A355 HydrophobicContact CD1-CB 3.19Å; R351-A355 WeakPolarHBondContact O-CB 3.43Å; R351-A355 PolarHBondContact O-N 3.4Å; T352-A355 PolarHBondContact O-N 2.83Å; T352-A355 VanDerWaalsContact O-N 3.15Å; A355-R358 PolarHBondContact O-N 3.01Å; A355-A359 PolarHBondContact O-N 2.79Å
356V92.1Very high91.1Very high0 Ų023.9 Ų23.90%011%0.11CC..Hα-helixtrans-64.9-41.2175.7176.50000110.5V253 I256 F331 T352 R358 A359 R360V253-V356 HydrophobicContact CB-CG2 4.42Å; V253-V356 HydrophobicContact CG1-CG2 4Å; V253-V356 HydrophobicContact CG2-CG2 4.07Å; I256-V356 HydrophobicContact CG2-CB 4.44Å; I256-V356 HydrophobicContact CG2-CG1 4.25Å; F331-V356 HydrophobicContact CE1-CG1 3.89Å; F331-V356 HydrophobicContact CZ-CG1 4.1Å; T352-V356 HydrophobicContact CG2-CG2 4.01Å; T352-V356 VanDerWaalsContact O-CG2 3.31Å; T352-V356 WeakPolarHBondContact O-CG2 3.34Å; T352-V356 PolarHBondContact O-N 2.82Å; V356-R358 VanDerWaalsContact C-N 3.34Å; V356-R358 PolarHBondContact O-N 2.83Å; V356-A359 PolarHBondContact O-N 2.97Å; V356-R360 PolarHBondContact O-N 3.37Å
357A92.5Very high91.6Very high0 Ų023.9 Ų23.90%011%0.109CC..Hα-helixtrans-64.5-36.5175.800000112.7F331 L353 F354 R360 S361 S363 I365 L407F331-A357 HydrophobicContact CD2-CB 4.09Å; F331-A357 HydrophobicContact CE2-CB 3.75Å; F331-A357 HydrophobicContact CZ-CB 4Å; L353-A357 VanDerWaalsContact O-CB 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.31Å; L353-A357 PolarHBondContact O-N 3.45Å; F354-A357 PolarHBondContact O-N 3.47Å; A357-R360 CarbonylContact O-C 3.54Å; A357-R360 PolarHBondContact O-N 3.03Å; A357-S361 PolarHBondContact O-N 3.49Å; A357-S363 WeakPolarHBondContact O-CB 3.32Å; A357-S363 PolarHBondContact O-OG 3.01Å; A357-I365 HydrophobicContact CB-CD1 3.77Å; A357-I365 HydrophobicContact CB-CG1 3.99Å; A357-L407 HydrophobicContact CB-CD1 3.71Å; A357-L407 HydrophobicContact CB-CD2 4.4Å
358R91.1Very high92Very high64 Ų6422.4 Ų22.424%0.24210%0.103CC..Hα-helixtrans-63.9-45.2172.4-74.9177.8-166.1119.12.6111.9F354 A355 V356 R360 S361 E405 L407F354-R358 WeakPolarHBondContact O-CB 3.28Å; F354-R358 VanDerWaalsContact O-CG 3.25Å; F354-R358 WeakPolarHBondContact O-CG 3.39Å; F354-R358 PolarHBondContact O-N 3Å; A355-R358 PolarHBondContact O-N 3.01Å; V356-R358 VanDerWaalsContact C-N 3.34Å; V356-R358 PolarHBondContact O-N 2.83Å; R358-R360 PolarHBondContact O-N 3.34Å; R358-S361 VanDerWaalsContact O-CB 3.31Å; R358-S361 WeakPolarHBondContact O-CB 3.35Å; R358-S361 PolarHBondContact O-N 2.97Å; R358-E405 WeakPolarHBondContact CD-OE1 3.15Å; R358-E405 HydrophobicContact CG-CG 4.09Å; R358-E405 WeakPolarHBondContact CG-OE1 3.12Å; R358-E405 IonicContact CZ-OE1 3.31Å; R358-E405 IonicContact NE-OE1 3.7Å; R358-E405 PolarHBondContact NE-OE1 2.66Å; R358-L407 HydrophobicContact CG-CD2 4.31Å
359A89.7Confident92.2Very high5 Ų519.4 Ų19.44%0.0419%0.091CC..Hα-helixtrans-63.3-28.3177.400000112.7N241 I245 A355 V356N241-A359 HydrophobicContact CB-CB 4.35Å; N241-A359 PolarHBondContact ND2-O 3.47Å; I245-A359 HydrophobicContact CD1-CB 3.85Å; I245-A359 HydrophobicContact CG1-CB 4.12Å; A355-A359 PolarHBondContact O-N 2.79Å; V356-A359 PolarHBondContact O-N 2.97Å
360R88.9Confident92.4Very high63 Ų6319.4 Ų19.424%0.2389%0.091CC..THydrogen-bonded Turntrans-100.523.2177.9-63.2-173.1176-162.8-6.9113.8E257 T329 F331 V356 A357 R358 P362 S363E257-R360 VanDerWaalsContact CG-NH2 3.3Å; E257-R360 IonicContact OE1-CZ 3.92Å; E257-R360 IonicContact OE1-NE 3.71Å; E257-R360 IonicContact OE1-NH2 3.74Å; E257-R360 PolarHBondContact OE1-NH2 3.21Å; E257-R360 IonicContact OE2-NH2 2.83Å; E257-R360 PolarHBondContact OE2-NH2 3.05Å; T329-R360 HydrophobicContact CG2-CB 4.41Å; T329-R360 PolarHBondContact OG1-O 3.22Å; F331-R360 HydrophobicContact CZ-CB 4.3Å; V356-R360 PolarHBondContact O-N 3.37Å; A357-R360 CarbonylContact O-C 3.54Å; A357-R360 PolarHBondContact O-N 3.03Å; R358-R360 PolarHBondContact O-N 3.34Å; R360-P362 CarbonylContact O-C 3.58Å; R360-P362 VanDerWaalsContact O-O 3.07Å; R360-S363 VanDerWaalsContact C-OG 3.23Å; R360-S363 PolarHBondContact O-OG 2.96Å
361S86.6Confident92.5Very high35 Ų3520.1 Ų20.125%0.24510%0.095CC..  trans-55.6133.5176.8178.10000111.5A357 R358 R406A357-S361 PolarHBondContact O-N 3.49Å; R358-S361 VanDerWaalsContact O-CB 3.31Å; R358-S361 WeakPolarHBondContact O-CB 3.35Å; R358-S361 PolarHBondContact O-N 2.97Å; S361-R406 PolarHBondContact OG-N 2.88Å; S361-R406 VanDerWaalsContact OG-N 3.16Å
362P90.7Very high92.4Very high28 Ų2817.1 Ų17.118%0.1829%0.089CC..SBendcis-76.8139.74.431.6-33000112.5A328 T329 R360 R406A328-P362 CarbonylContact C-O 3.53Å; A328-P362 VanDerWaalsContact CA-O 3.28Å; A328-P362 WeakPolarHBondContact CA-O 2.89Å; A328-P362 HydrophobicContact CB-CB 4.2Å; A328-P362 HydrophobicContact CB-CG 4.45Å; A328-P362 WeakPolarHBondContact CB-O 2.76Å; T329-P362 PolarHBondContact N-O 2.83Å; R360-P362 CarbonylContact O-C 3.58Å; R360-P362 VanDerWaalsContact O-O 3.07Å; P362-R406 WeakPolarHBondContact CA-O 3.32Å; P362-R406 HydrophobicContact CB-CB 4.02Å
363S92.7Very high92.2Very high0 Ų016.9 Ų16.90%09%0.088CC..EExtended strand (participates in β ladder)trans-140.1146.2-173.4-78.30000112.8T329 F331 A357 R360 R406 L407 L408T329-S363 WeakPolarHBondContact O-CA 3.43Å; F331-S363 WeakPolarHBondContact CE2-OG 3.29Å; A357-S363 WeakPolarHBondContact O-CB 3.32Å; A357-S363 PolarHBondContact O-OG 3.01Å; R360-S363 VanDerWaalsContact C-OG 3.23Å; R360-S363 PolarHBondContact O-OG 2.96Å; S363-R406 PolarHBondContact N-O 2.96Å; S363-L407 WeakPolarHBondContact O-CA 3.46Å; S363-L408 PolarHBondContact O-N 2.94Å
364V94.1Very high92.1Very high0 Ų016.8 Ų16.80%09%0.088CC..EExtended strand (participates in β ladder)trans-121.8118.6174.7176.50000108.4A323 A328 T329 F330 F331 L408 I410A323-V364 HydrophobicContact CB-CB 3.96Å; A323-V364 HydrophobicContact CB-CG1 4.34Å; A323-V364 HydrophobicContact CB-CG2 4.03Å; A328-V364 HydrophobicContact CB-CG2 3.88Å; T329-V364 PolarHBondContact O-N 3.46Å; F330-V364 HydrophobicContact CD2-CB 4.36Å; F330-V364 HydrophobicContact CD2-CG1 4.2Å; F330-V364 HydrophobicContact CE2-CG1 4.42Å; F331-V364 PolarHBondContact N-O 3.39Å; V364-L408 CarbonylContact C-O 3.53Å; V364-L408 WeakPolarHBondContact CA-O 3.43Å; V364-L408 HydrophobicContact CG2-CB 4.39Å; V364-L408 HydrophobicContact CG2-CD2 4.42Å; V364-I410 HydrophobicContact CG1-CD1 3.56Å; V364-I410 HydrophobicContact CG1-CG1 4Å
365I95.3Very high91.8Very high0 Ų018.5 Ų18.50%010%0.098CC..EExtended strand (participates in β ladder)trans-95.7109.7171.3-61.1169.8000107.9F331 L353 F354 A357 I367 L407 L408 V409 I410F331-I365 HydrophobicContact CB-CG1 4.2Å; F331-I365 HydrophobicContact CD2-CG1 4.43Å; F331-I365 CarbonylContact O-C 3.59Å; L353-I365 HydrophobicContact CD2-CG2 4.22Å; L353-I365 HydrophobicContact CG-CD1 4.44Å; F354-I365 HydrophobicContact CD1-CD1 4.02Å; F354-I365 HydrophobicContact CD2-CD1 4.27Å; F354-I365 HydrophobicContact CE1-CD1 4Å; F354-I365 HydrophobicContact CE2-CD1 4.27Å; F354-I365 HydrophobicContact CG-CD1 4.17Å; F354-I365 HydrophobicContact CZ-CD1 4.15Å; A357-I365 HydrophobicContact CB-CD1 3.77Å; A357-I365 HydrophobicContact CB-CG1 3.99Å; I365-I367 HydrophobicContact CG2-CD1 4.29Å; I365-I367 HydrophobicContact CG2-CG1 3.93Å; I365-L407 HydrophobicContact CD1-CD1 3.84Å; I365-L407 HydrophobicContact CD1-CD2 4.17Å; I365-L407 HydrophobicContact CD1-CG 4.42Å; I365-L407 HydrophobicContact CG1-CD1 3.92Å; I365-L408 PolarHBondContact N-O 2.7Å; I365-V409 CarbonylContact O-C 3.59Å; I365-V409 WeakPolarHBondContact O-CA 3.13Å; I365-I410 PolarHBondContact O-N 3.02Å
366F96.2Very high91.3Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-98.2123.4172.7-179.6-95.2000110.4T316 F330 F331 V333 D368 I410 A412T316-F366 HydrophobicContact CG2-CE1 3.8Å; T316-F366 HydrophobicContact CG2-CZ 4.17Å; F330-F366 HydrophobicContact CD2-CB 4.36Å; F330-F366 HydrophobicContact CE2-CB 3.38Å; F330-F366 HydrophobicContact CE2-CG 4.07Å; F330-F366 HydrophobicContact CZ-CB 3.65Å; F330-F366 HydrophobicContact CZ-CD1 4.25Å; F330-F366 AromaticContact CZ-CG 3.97Å; F330-F366 HydrophobicContact CZ-CG 3.97Å; F331-F366 PolarHBondContact O-N 3.38Å; V333-F366 PolarHBondContact N-O 3Å; F366-D368 HydrophobicContact CE1-CB 3.77Å; F366-D368 HydrophobicContact CZ-CB 4.43Å; F366-I410 CarbonylContact C-O 3.59Å; F366-I410 WeakPolarHBondContact CA-O 3.13Å; F366-I410 HydrophobicContact CD2-CB 3.99Å; F366-I410 HydrophobicContact CD2-CG2 3.74Å; F366-I410 HydrophobicContact CE2-CG2 4.07Å; F366-A412 HydrophobicContact CE1-CB 4.42Å; F366-A412 HydrophobicContact CE2-CB 3.7Å; F366-A412 HydrophobicContact CZ-CB 3.41Å; F366-A412 VanDerWaalsContact CZ-CB 3.41Å
367I95.5Very high90.4Very high2 Ų232.5 Ų32.51%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-114.3112.4178.2-49.4178.6000107.6V333 A335 I365 V370 F392 V409 I410 G411 A412V333-I367 HydrophobicContact CG1-CB 4.37Å; V333-I367 HydrophobicContact CG1-CG1 3.86Å; V333-I367 HydrophobicContact CG1-CG2 4.34Å; V333-I367 CarbonylContact O-C 3.57Å; V333-I367 VanDerWaalsContact O-CA 3.24Å; V333-I367 WeakPolarHBondContact O-CA 3.05Å; A335-I367 HydrophobicContact CB-CG2 3.98Å; I365-I367 HydrophobicContact CG2-CD1 4.29Å; I365-I367 HydrophobicContact CG2-CG1 3.93Å; I367-V370 HydrophobicContact CB-CG1 3.57Å; I367-V370 HydrophobicContact CG2-CG1 3.53Å; I367-V370 VanDerWaalsContact O-CG1 3.3Å; I367-V370 WeakPolarHBondContact O-CG1 3.46Å; I367-F392 HydrophobicContact CD1-CD2 4.29Å; I367-F392 HydrophobicContact CD1-CE1 4.44Å; I367-F392 HydrophobicContact CD1-CE2 3.2Å; I367-F392 HydrophobicContact CD1-CZ 3.29Å; I367-V409 HydrophobicContact CD1-CG1 4.23Å; I367-I410 PolarHBondContact N-O 3.01Å; I367-G411 CarbonylContact O-C 3.53Å; I367-A412 PolarHBondContact O-N 3.31Å
368D94.9Very high89.5Confident39 Ų3934.4 Ų34.421%0.20917%0.166CC..EExtended strand (participates in β ladder)trans-84.7151.8173.6-145.8-15.9000110.9T316 V333 A335 F366 V370T316-D368 PolarHBondContact OG1-OD2 3.14Å; T316-D368 VanDerWaalsContact OG1-OD2 3.09Å; V333-D368 PolarHBondContact O-N 2.83Å; A335-D368 WeakPolarHBondContact CB-O 3.22Å; A335-D368 PolarHBondContact N-O 2.75Å; F366-D368 HydrophobicContact CE1-CB 3.77Å; F366-D368 HydrophobicContact CZ-CB 4.43Å; D368-V370 VanDerWaalsContact C-N 3.29Å; D368-V370 PolarHBondContact O-N 3.49Å
369E94.1Very high88.4Confident51 Ų5139.2 Ų39.224%0.23820%0.196CC..THydrogen-bonded Turntrans52.143.2-178.1-55.7-179.5152.100113.1A335 S336 D371 S372 A412A335-E369 VanDerWaalsContact CB-O 3.29Å; A335-E369 WeakPolarHBondContact CB-O 3.35Å; S336-E369 PolarHBondContact OG-OE2 3.38Å; E369-D371 VanDerWaalsContact C-OD1 3.29Å; E369-D371 PolarHBondContact O-N 3.49Å; E369-S372 WeakPolarHBondContact O-CB 3.45Å; E369-S372 PolarHBondContact O-N 2.8Å; E369-S372 PolarHBondContact O-OG 3.37Å; E369-A412 WeakPolarHBondContact CA-O 3.43Å; E369-A412 PolarHBondContact N-O 3.09Å
370V94.3Very high87.5Confident1 Ų143.7 Ų43.71%0.00623%0.227CC..Hα-helixtrans-56.4-24.4-175.8-71.30000113.8L306 I367 D368 S372 L373 L374 A412 T413 L419L306-V370 HydrophobicContact CD1-CG2 3.76Å; I367-V370 HydrophobicContact CB-CG1 3.57Å; I367-V370 HydrophobicContact CG2-CG1 3.53Å; I367-V370 VanDerWaalsContact O-CG1 3.3Å; I367-V370 WeakPolarHBondContact O-CG1 3.46Å; D368-V370 VanDerWaalsContact C-N 3.29Å; D368-V370 PolarHBondContact O-N 3.49Å; V370-S372 PolarHBondContact O-N 3.37Å; V370-L373 PolarHBondContact O-N 2.99Å; V370-L374 HydrophobicContact CB-CD1 4.36Å; V370-L374 WeakPolarHBondContact O-CB 3.26Å; V370-L374 PolarHBondContact O-N 3.4Å; V370-A412 WeakPolarHBondContact CG2-O 3.45Å; V370-A412 PolarHBondContact N-O 2.89Å; V370-T413 HydrophobicContact CG2-CG2 4.42Å; V370-L419 HydrophobicContact CG2-CD2 4.17Å
371D92.6Very high86.7Confident17 Ų1741.9 Ų41.99%0.09122%0.222CC..Hα-helixtrans-54.7-40172.544.5-56.1000111.5E369 L373 L374 T375 T413 R415 E418 L419E369-D371 VanDerWaalsContact C-OD1 3.29Å; E369-D371 PolarHBondContact O-N 3.49Å; D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.15Å; D371-L374 CarbonylContact O-C 3.58Å; D371-L374 PolarHBondContact O-N 3Å; D371-T375 WeakPolarHBondContact O-CG2 3.45Å; D371-T375 PolarHBondContact O-N 3.29Å; D371-T413 WeakPolarHBondContact CB-OG1 3.05Å; D371-T413 WeakPolarHBondContact OD1-CB 3.26Å; D371-T413 PolarHBondContact OD1-OG1 3.22Å; D371-R415 HydrophobicContact CB-CB 4.48Å; D371-E418 HydrophobicContact CB-CB 4.42Å; D371-L419 HydrophobicContact CB-CD2 4.42Å
372S89.6Confident86.3Confident38 Ų3846.1 Ų46.127%0.26624%0.242SC..Hα-helixtrans-63.2-31.7179.366.90000114.2A335 S336 E369 V370A335-S372 WeakPolarHBondContact CB-OG 3.39Å; S336-S372 PolarHBondContact N-OG 2.84Å; E369-S372 WeakPolarHBondContact O-CB 3.45Å; E369-S372 PolarHBondContact O-N 2.8Å; E369-S372 PolarHBondContact O-OG 3.37Å; V370-S372 PolarHBondContact O-N 3.37Å
373L88.7Confident86Confident1 Ų149.5 Ų49.51%0.00526%0.259CS..Hα-helixtrans-91.3-29.8175.6177.163.6000112A335 L338 T339 V370 D371 M385 M388 K389 F392A335-L373 HydrophobicContact CB-CB 3.64Å; L338-L373 HydrophobicContact CD1-CD2 4.14Å; T339-L373 HydrophobicContact CG2-CD1 4.21Å; V370-L373 PolarHBondContact O-N 2.99Å; D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.15Å; L373-M385 HydrophobicContact CD1-SD 3.84Å; L373-M388 HydrophobicContact CD1-CG 4.07Å; L373-M388 HydrophobicContact CD1-SD 3.63Å; L373-K389 HydrophobicContact CD1-CG 4.41Å; L373-K389 WeakPolarHBondContact O-CD 3.49Å; L373-K389 WeakPolarHBondContact O-CE 3.46Å; L373-K389 WeakPolarHBondContact O-CG 3.37Å; L373-F392 HydrophobicContact CD2-CG 4.48Å
374L90Very high85.5Confident1 Ų152.4 Ų52.41%0.00528%0.279CS..Hα-helixtrans-11830.1-168.8-55.2-179.4000113.3V370 D371 K389 F392 F393 L419 D420 A423 F427V370-L374 HydrophobicContact CB-CD1 4.36Å; V370-L374 WeakPolarHBondContact O-CB 3.26Å; V370-L374 PolarHBondContact O-N 3.4Å; D371-L374 CarbonylContact O-C 3.58Å; D371-L374 PolarHBondContact O-N 3Å; L374-K389 HydrophobicContact CD2-CG 4.48Å; L374-F392 HydrophobicContact CD1-CD1 4.33Å; L374-F392 HydrophobicContact CD1-CE1 3.91Å; L374-F392 HydrophobicContact CD2-CD1 3.89Å; L374-F392 HydrophobicContact CD2-CE1 4.3Å; L374-F393 HydrophobicContact CD1-CE1 4.33Å; L374-F393 HydrophobicContact CD2-CE1 3.8Å; L374-F393 HydrophobicContact CD2-CZ 3.74Å; L374-L419 HydrophobicContact CB-CD2 3.94Å; L374-D420 PolarHBondContact O-N 3.5Å; L374-D420 VanDerWaalsContact O-N 3.14Å; L374-A423 HydrophobicContact CB-CB 3.91Å; L374-A423 HydrophobicContact CD1-CB 3.86Å; L374-A423 HydrophobicContact CG-CB 4.44Å; L374-F427 HydrophobicContact CD1-CE2 3.74Å; L374-F427 HydrophobicContact CD1-CZ 4.4Å
375T86Confident85.1Confident35 Ų3554.4 Ų54.422%0.21529%0.289CS..BIsolated β-bridgetrans-59.1151.2173.349.20000112.4D371 R377 K389 E418D371-T375 WeakPolarHBondContact O-CG2 3.45Å; D371-T375 PolarHBondContact O-N 3.29Å; T375-R377 PolarHBondContact O-N 3.31Å; T375-K389 PolarHBondContact O-NZ 2.78Å; T375-K389 PolarHBondContact OG1-NZ 3.29Å; T375-E418 WeakPolarHBondContact CA-O 3.29Å
376K80.9Confident84.7Confident117 Ų11758.8 Ų58.851%0.50931%0.305SS..PPolyproline II helixtrans-47.3136.4162.5-70.2173.7-171.8168.40110S378 W417 E418K376-S378 PolarHBondContact O-N 3.44Å; K376-S378 VanDerWaalsContact O-N 3.09Å; K376-W417 VanDerWaalsContact CE-O 3.32Å; K376-W417 WeakPolarHBondContact CE-O 3.36Å; K376-W417 PolarHBondContact NZ-O 3.43Å; K376-E418 PolarHBondContact N-O 2.94Å
377R74.7Confident84.3Confident185 Ų18565.8 Ų65.870%0.69833%0.332SS*.PPolyproline II helixtrans-56.6117.5-179.2-65.7179.7178.8-174.6-3.6109.4T375T375-R377 PolarHBondContact O-N 3.31Å
378S72.5Confident84Confident40 Ų4066.2 Ų66.228%0.2833%0.334SS..PPolyproline II helixtrans-102150.716781.20000109.3K376 S380 D381 R386K376-S378 PolarHBondContact O-N 3.44Å; K376-S378 VanDerWaalsContact O-N 3.09Å; S378-S380 PolarHBondContact O-N 2.96Å; S378-S380 PolarHBondContact OG-N 2.99Å; S378-S380 PolarHBondContact OG-OG 3.34Å; S378-D381 WeakPolarHBondContact O-CB 3.06Å; S378-D381 PolarHBondContact O-N 2.9Å; S378-D381 PolarHBondContact OG-N 2.86Å; S378-D381 PolarHBondContact OG-OD1 2.85Å; S378-R386 PolarHBondContact O-NH2 3.22Å
379D67.5Low83.7Confident166 Ų16665 Ų6589%0.88833%0.327SS*.THydrogen-bonded Turntrans-63.9-18.1173.9-68.8-33000112D381D379-D381 VanDerWaalsContact C-N 3.35Å
380S71.5Confident83.5Confident98 Ų9866.8 Ų66.869%0.68534%0.338SS*.THydrogen-bonded Turntrans-83.1-1.7173.657.90000115.1S378 N382S378-S380 PolarHBondContact O-N 2.96Å; S378-S380 PolarHBondContact OG-N 2.99Å; S378-S380 PolarHBondContact OG-OG 3.34Å; S380-N382 PolarHBondContact O-N 3.09Å
381D71.1Confident83.4Confident25 Ų2567.8 Ų67.813%0.13434%0.343CS..  trans-67116.4178.6-7817.9000110.1S378 D379 R386 K389S378-D381 WeakPolarHBondContact O-CB 3.06Å; S378-D381 PolarHBondContact O-N 2.9Å; S378-D381 PolarHBondContact OG-N 2.86Å; S378-D381 PolarHBondContact OG-OD1 2.85Å; D379-D381 VanDerWaalsContact C-N 3.35Å; D381-R386 HydrophobicContact CB-CG 4.2Å; D381-R386 PolarHBondContact O-NE 3.4Å; D381-K389 IonicContact OD2-NZ 2.59Å; D381-K389 PolarHBondContact OD2-NZ 2.95Å
382N79.7Confident83.4Confident124 Ų12467.2 Ų67.266%0.66334%0.339SS*.  trans-54140.5171.4-69.3-24000110.9S380 S384 M385 R386S380-N382 PolarHBondContact O-N 3.09Å; N382-S384 PolarHBondContact O-N 3.47Å; N382-S384 VanDerWaalsContact O-N 3.09Å; N382-M385 WeakPolarHBondContact O-CB 3.31Å; N382-M385 PolarHBondContact O-N 2.69Å; N382-R386 PolarHBondContact O-N 2.83Å
383D83.1Confident83.5Confident100 Ų10066.4 Ų66.454%0.53533%0.331SS..Hα-helixtrans-54.4-33.5178.1-75.6-27.7000112.9M385 R386 R387D383-M385 PolarHBondContact O-N 3.41Å; D383-R386 PolarHBondContact O-N 3.47Å; D383-R387 WeakPolarHBondContact O-CG 3.47Å; D383-R387 PolarHBondContact O-N 3.28Å
384S83.1Confident83.7Confident60 Ų6069.7 Ų69.742%0.4235%0.354SS..Hα-helixtrans-61.3-40.6175.1-51.60000112.8N382 M388N382-S384 PolarHBondContact O-N 3.47Å; N382-S384 VanDerWaalsContact O-N 3.09Å; S384-M388 WeakPolarHBondContact O-CB 3.39Å; S384-M388 PolarHBondContact O-N 3.33Å
385M85.4Confident83.8Confident42 Ų4270.8 Ų70.821%0.20736%0.359CS..Hα-helixtrans-65.6-41.1176.1-178.7737800110.4T339 L373 N382 D383 M388 K389T339-M385 HydrophobicContact CG2-CE 3.36Å; T339-M385 HydrophobicContact CG2-SD 3.56Å; T339-M385 VanDerWaalsContact CG2-SD 3.56Å; L373-M385 HydrophobicContact CD1-SD 3.84Å; N382-M385 WeakPolarHBondContact O-CB 3.31Å; N382-M385 PolarHBondContact O-N 2.69Å; D383-M385 PolarHBondContact O-N 3.41Å; M385-M388 PolarHBondContact O-N 2.96Å; M385-K389 HydrophobicContact CG-CD 4.21Å; M385-K389 HydrophobicContact CG-CG 4.46Å; M385-K389 WeakPolarHBondContact O-CB 3.37Å; M385-K389 WeakPolarHBondContact O-CG 3.32Å; M385-K389 PolarHBondContact O-N 3.47Å
386R86.1Confident84Confident92 Ų9269.4 Ų69.435%0.34735%0.35SS..Hα-helixtrans-62.9-43.7178.7-64.6177.3176.3-176.4-3.9111.9S378 D381 N382 D383 K389 N390S378-R386 PolarHBondContact O-NH2 3.22Å; D381-R386 HydrophobicContact CB-CG 4.2Å; D381-R386 PolarHBondContact O-NE 3.4Å; N382-R386 PolarHBondContact O-N 2.83Å; D383-R386 PolarHBondContact O-N 3.47Å; R386-K389 PolarHBondContact O-N 3.27Å; R386-N390 VanDerWaalsContact O-CG 3.22Å; R386-N390 PolarHBondContact O-N 3.04Å; R386-N390 PolarHBondContact O-ND2 3.32Å
387R88.2Confident84.4Confident148 Ų14868.7 Ų68.756%0.55835%0.349SS*.Hα-helixtrans-63.2-44.1175.5-67.3177.7-163.4163.36111.6D383 N390 E391D383-R387 WeakPolarHBondContact O-CG 3.47Å; D383-R387 PolarHBondContact O-N 3.28Å; R387-N390 PolarHBondContact O-N 3.46Å; R387-E391 PolarHBondContact O-N 2.77Å
388M89.3Confident84.7Confident11 Ų1161.3 Ų61.35%0.05433%0.33CS..Hα-helixtrans-61.3-46176.1-166.6-172.1-50.900112.4L338 T339 V350 L373 S384 M385 N390 E391 F392L338-M388 HydrophobicContact CB-SD 4.1Å; T339-M388 HydrophobicContact CG2-CE 4.35Å; T339-M388 HydrophobicContact CG2-SD 4.18Å; V350-M388 HydrophobicContact CG2-CG 3.94Å; L373-M388 HydrophobicContact CD1-CG 4.07Å; L373-M388 HydrophobicContact CD1-SD 3.63Å; S384-M388 WeakPolarHBondContact O-CB 3.39Å; S384-M388 PolarHBondContact O-N 3.33Å; M385-M388 PolarHBondContact O-N 2.96Å; M388-N390 VanDerWaalsContact C-N 3.34Å; M388-N390 PolarHBondContact O-N 2.95Å; M388-E391 PolarHBondContact O-N 3Å; M388-F392 WeakPolarHBondContact O-CB 3.36Å; M388-F392 PolarHBondContact O-N 3.49Å
389K89.8Confident84.9Confident13 Ų1359.5 Ų59.56%0.05732%0.317CS..Hα-helixtrans-54.6-48.3173.6-80.1174.9175.7-177.20111.3L373 L374 T375 D381 M385 R386 F392 F393L373-K389 HydrophobicContact CD1-CG 4.41Å; L373-K389 WeakPolarHBondContact O-CD 3.49Å; L373-K389 WeakPolarHBondContact O-CE 3.46Å; L373-K389 WeakPolarHBondContact O-CG 3.37Å; L374-K389 HydrophobicContact CD2-CG 4.48Å; T375-K389 PolarHBondContact O-NZ 2.78Å; T375-K389 PolarHBondContact OG1-NZ 3.29Å; D381-K389 IonicContact OD2-NZ 2.59Å; D381-K389 PolarHBondContact OD2-NZ 2.95Å; M385-K389 HydrophobicContact CG-CD 4.21Å; M385-K389 HydrophobicContact CG-CG 4.46Å; M385-K389 WeakPolarHBondContact O-CB 3.37Å; M385-K389 WeakPolarHBondContact O-CG 3.32Å; M385-K389 PolarHBondContact O-N 3.47Å; R386-K389 PolarHBondContact O-N 3.27Å; K389-F392 PolarHBondContact O-N 3.07Å; K389-F393 VanDerWaalsContact O-CD2 3.26Å; K389-F393 WeakPolarHBondContact O-CD2 3.48Å; K389-F393 WeakPolarHBondContact O-CG 3.29Å; K389-F393 PolarHBondContact O-N 3.15Å; K389-F393 VanDerWaalsContact O-N 3.09Å
390N90.1Very high85Confident89 Ų8953.4 Ų53.448%0.47629%0.294SS..Hα-helixtrans-66.7-43.5-178.5-70.1-14.5000112.5R386 R387 M388 F392 F393 S394R386-N390 VanDerWaalsContact O-CG 3.22Å; R386-N390 PolarHBondContact O-N 3.04Å; R386-N390 PolarHBondContact O-ND2 3.32Å; R387-N390 PolarHBondContact O-N 3.46Å; M388-N390 VanDerWaalsContact C-N 3.34Å; M388-N390 PolarHBondContact O-N 2.95Å; N390-F392 VanDerWaalsContact C-N 3.33Å; N390-F392 PolarHBondContact O-N 2.99Å; N390-F393 PolarHBondContact O-N 2.98Å; N390-S394 WeakPolarHBondContact O-CB 3.3Å; N390-S394 PolarHBondContact O-N 3.38Å
391E91.8Very high84.9Confident22 Ų2254.1 Ų54.110%0.10329%0.294CS..Hα-helixtrans-62.7-41.9175.7-178.667.2-163.400110.9E347 V350 R351 R387 M388 F393 S394 Q395E347-E391 HydrophobicContact CG-CB 3.74Å; E347-E391 HydrophobicContact CG-CG 3.74Å; V350-E391 HydrophobicContact CB-CG 4.29Å; V350-E391 HydrophobicContact CG1-CG 4.04Å; R351-E391 IonicContact CZ-OE1 3.42Å; R351-E391 IonicContact CZ-OE2 2.66Å; R351-E391 IonicContact NE-OE1 2.75Å; R351-E391 PolarHBondContact NE-OE1 3.07Å; R351-E391 IonicContact NE-OE2 3.4Å; R351-E391 IonicContact NH2-OE1 2.75Å; R351-E391 PolarHBondContact NH2-OE1 3.29Å; R351-E391 IonicContact NH2-OE2 3.49Å; R351-E391 PolarHBondContact NH2-OE2 3.17Å; R387-E391 PolarHBondContact O-N 2.77Å; M388-E391 PolarHBondContact O-N 3Å; E391-F393 VanDerWaalsContact C-N 3.35Å; E391-F393 PolarHBondContact O-N 2.91Å; E391-S394 WeakPolarHBondContact O-CB 3.49Å; E391-S394 PolarHBondContact O-N 2.78Å; E391-Q395 HydrophobicContact CG-CG 4.39Å; E391-Q395 WeakPolarHBondContact O-CG 3.42Å; E391-Q395 PolarHBondContact O-N 3.44Å; E391-Q395 PolarHBondContact OE1-NE2 2.71Å
392F92.8Very high84.9Confident4 Ų456.3 Ų56.32%0.01831%0.311CS..Hα-helixtrans-58.2-45.7175.8-178.7-102.3000112.2V350 F354 I367 L373 L374 M388 K389 N390 Q395 M396 V409V350-F392 HydrophobicContact CG1-CB 4.12Å; V350-F392 HydrophobicContact CG1-CD2 4.19Å; F354-F392 AromaticContact CE2-CD2 3.87Å; F354-F392 HydrophobicContact CE2-CD2 3.87Å; F354-F392 AromaticContact CE2-CE2 3.8Å; F354-F392 HydrophobicContact CE2-CE2 3.8Å; F354-F392 HydrophobicContact CZ-CD2 4.24Å; F354-F392 AromaticContact CZ-CE2 3.85Å; F354-F392 HydrophobicContact CZ-CE2 3.85Å; I367-F392 HydrophobicContact CD1-CD2 4.29Å; I367-F392 HydrophobicContact CD1-CE1 4.44Å; I367-F392 HydrophobicContact CD1-CE2 3.2Å; I367-F392 HydrophobicContact CD1-CZ 3.29Å; L373-F392 HydrophobicContact CD2-CG 4.48Å; L374-F392 HydrophobicContact CD1-CD1 4.33Å; L374-F392 HydrophobicContact CD1-CE1 3.91Å; L374-F392 HydrophobicContact CD2-CD1 3.89Å; L374-F392 HydrophobicContact CD2-CE1 4.3Å; M388-F392 WeakPolarHBondContact O-CB 3.36Å; M388-F392 PolarHBondContact O-N 3.49Å; K389-F392 PolarHBondContact O-N 3.07Å; N390-F392 VanDerWaalsContact C-N 3.33Å; N390-F392 PolarHBondContact O-N 2.99Å; F392-Q395 PolarHBondContact O-N 2.99Å; F392-M396 HydrophobicContact CD1-CG 4.35Å; F392-M396 HydrophobicContact CD1-SD 4.02Å; F392-M396 HydrophobicContact CE1-CG 3.88Å; F392-M396 HydrophobicContact CE1-SD 3.21Å; F392-M396 WeakPolarHBondContact CE1-SD 3.43Å; F392-M396 HydrophobicContact CE2-CG 4.28Å; F392-M396 HydrophobicContact CE2-SD 4.48Å; F392-M396 HydrophobicContact CZ-CG 3.82Å; F392-M396 HydrophobicContact CZ-SD 3.48Å; F392-M396 WeakPolarHBondContact CZ-SD 3.34Å; F392-M396 WeakPolarHBondContact O-CG 3.4Å; F392-M396 PolarHBondContact O-N 3.41Å; F392-V409 HydrophobicContact CZ-CG1 4.08Å
393F91.9Very high84.4Confident22 Ų2260.7 Ų60.710%0.09632%0.324CS..Hα-helixtrans-65.6-40.6175.7-65.4-39.2000113L374 K389 N390 E391 Q395 M396 E397 A422 A423 R426L374-F393 HydrophobicContact CD1-CE1 4.33Å; L374-F393 HydrophobicContact CD2-CE1 3.8Å; L374-F393 HydrophobicContact CD2-CZ 3.74Å; K389-F393 VanDerWaalsContact O-CD2 3.26Å; K389-F393 WeakPolarHBondContact O-CD2 3.48Å; K389-F393 WeakPolarHBondContact O-CG 3.29Å; K389-F393 PolarHBondContact O-N 3.15Å; K389-F393 VanDerWaalsContact O-N 3.09Å; N390-F393 PolarHBondContact O-N 2.98Å; E391-F393 VanDerWaalsContact C-N 3.35Å; E391-F393 PolarHBondContact O-N 2.91Å; F393-Q395 VanDerWaalsContact C-N 3.35Å; F393-Q395 PolarHBondContact O-N 2.78Å; F393-M396 PolarHBondContact O-N 2.89Å; F393-E397 WeakPolarHBondContact O-CG 3.24Å; F393-E397 PolarHBondContact O-N 3.26Å; F393-A422 HydrophobicContact CD2-CB 4.47Å; F393-A422 HydrophobicContact CE2-CB 3.79Å; F393-A422 HydrophobicContact CZ-CB 3.9Å; F393-A423 HydrophobicContact CE1-CB 4.14Å; F393-A423 HydrophobicContact CZ-CB 4.15Å; F393-R426 HydrophobicContact CD1-CG 4.4Å
394S91.9Very high84Confident70 Ų7064.1 Ų64.149%0.4934%0.337SS..Hα-helixtrans-57.5-47.6174.2-179.10000111.3N390 E391 E397 G398N390-S394 WeakPolarHBondContact O-CB 3.3Å; N390-S394 PolarHBondContact O-N 3.38Å; E391-S394 WeakPolarHBondContact O-CB 3.49Å; E391-S394 PolarHBondContact O-N 2.78Å; S394-E397 PolarHBondContact O-N 3.39Å; S394-G398 PolarHBondContact O-N 3.17Å; S394-G398 VanDerWaalsContact O-N 3.12Å
395Q92.5Very high83.9Confident23 Ų2362.6 Ų62.611%0.10732%0.323CS..Hα-helixtrans-64.1-42.5177.4-67.5-59.5-29.400112.3V350 F354 E391 F392 F393 E397 G398 V399V350-Q395 HydrophobicContact CG1-CG 4.19Å; F354-Q395 HydrophobicContact CB-CB 4.21Å; F354-Q395 HydrophobicContact CB-CG 4.23Å; F354-Q395 HydrophobicContact CD1-CB 3.78Å; F354-Q395 HydrophobicContact CD2-CB 3.65Å; F354-Q395 HydrophobicContact CD2-CG 4.03Å; F354-Q395 HydrophobicContact CE1-CB 3.96Å; F354-Q395 HydrophobicContact CE2-CB 3.83Å; F354-Q395 HydrophobicContact CG-CB 3.61Å; F354-Q395 HydrophobicContact CG-CG 4.08Å; F354-Q395 HydrophobicContact CZ-CB 3.98Å; E391-Q395 HydrophobicContact CG-CG 4.39Å; E391-Q395 WeakPolarHBondContact O-CG 3.42Å; E391-Q395 PolarHBondContact O-N 3.44Å; E391-Q395 PolarHBondContact OE1-NE2 2.71Å; F392-Q395 PolarHBondContact O-N 2.99Å; F393-Q395 VanDerWaalsContact C-N 3.35Å; F393-Q395 PolarHBondContact O-N 2.78Å; Q395-E397 PolarHBondContact O-N 3.49Å; Q395-G398 PolarHBondContact O-N 3.38Å; Q395-V399 WeakPolarHBondContact O-CG2 3.31Å; Q395-V399 PolarHBondContact O-N 3.3Å
396M90.9Very high83.9Confident6 Ų664.9 Ų64.93%0.0333%0.33CS..Hα-helixtrans-61.9-38.5176-79.3-165.577.700113.3F354 F392 F393 G398 V399 V409 R426 F427F354-M396 HydrophobicContact CZ-CG 4.1Å; F392-M396 HydrophobicContact CD1-CG 4.35Å; F392-M396 HydrophobicContact CD1-SD 4.02Å; F392-M396 HydrophobicContact CE1-CG 3.88Å; F392-M396 HydrophobicContact CE1-SD 3.21Å; F392-M396 WeakPolarHBondContact CE1-SD 3.43Å; F392-M396 HydrophobicContact CE2-CG 4.28Å; F392-M396 HydrophobicContact CE2-SD 4.48Å; F392-M396 HydrophobicContact CZ-CG 3.82Å; F392-M396 HydrophobicContact CZ-SD 3.48Å; F392-M396 WeakPolarHBondContact CZ-SD 3.34Å; F392-M396 WeakPolarHBondContact O-CG 3.4Å; F392-M396 PolarHBondContact O-N 3.41Å; F393-M396 PolarHBondContact O-N 2.89Å; M396-G398 VanDerWaalsContact C-N 3.33Å; M396-V399 WeakPolarHBondContact O-CB 3.26Å; M396-V399 PolarHBondContact O-N 3.46Å; M396-V409 HydrophobicContact CE-CB 4.08Å; M396-V409 HydrophobicContact CE-CG1 4.13Å; M396-V409 HydrophobicContact CE-CG2 4.49Å; M396-V409 HydrophobicContact CG-CG2 4.39Å; M396-V409 HydrophobicContact SD-CG1 4.45Å; M396-R426 HydrophobicContact CE-CB 3.83Å; M396-R426 HydrophobicContact SD-CB 4.08Å; M396-F427 HydrophobicContact CE-CD1 4.26Å; M396-F427 HydrophobicContact CE-CE1 3.94Å; M396-F427 HydrophobicContact CE-CZ 4.18Å; M396-F427 HydrophobicContact SD-CZ 4.32Å
397E87.6Confident84.2Confident103 Ų10361 Ų6148%0.48132%0.315SS..Hα-helixtrans-68.6-36.4177.8-75.4174.6-168.100111.3K303 F393 S394 Q395 V399 R426K303-E397 PolarHBondContact NZ-O 3.45Å; F393-E397 WeakPolarHBondContact O-CG 3.24Å; F393-E397 PolarHBondContact O-N 3.26Å; S394-E397 PolarHBondContact O-N 3.39Å; Q395-E397 PolarHBondContact O-N 3.49Å; E397-V399 VanDerWaalsContact C-N 3.26Å; E397-V399 PolarHBondContact O-N 3.33Å; E397-R426 IonicContact OE1-CZ 3.89Å; E397-R426 VanDerWaalsContact OE1-CZ 3.31Å; E397-R426 IonicContact OE1-NE 3.09Å; E397-R426 PolarHBondContact OE1-NE 3.27Å; E397-R426 IonicContact OE1-NH2 2.7Å; E397-R426 PolarHBondContact OE1-NH2 2.57Å
398G81.8Confident84.4Confident29 Ų2954.1 Ų54.130%0.29929%0.29SS..Hα-helixtrans-68.1-17.1174.200000115.1S394 Q395 M396 G400 V401S394-G398 PolarHBondContact O-N 3.17Å; S394-G398 VanDerWaalsContact O-N 3.12Å; Q395-G398 PolarHBondContact O-N 3.38Å; M396-G398 VanDerWaalsContact C-N 3.33Å; G398-G400 PolarHBondContact O-N 3.08Å; G398-V401 VanDerWaalsContact O-CG2 3.3Å; G398-V401 WeakPolarHBondContact O-CG2 3.43Å; G398-V401 PolarHBondContact O-N 3.21Å
399V77.5Confident84.7Confident2 Ų253.6 Ų53.61%0.01229%0.287CS..THydrogen-bonded Turntrans-61.7127.9177.4175.60000110.8K303 F354 Q395 M396 E397 V401 L407K303-V399 HydrophobicContact CB-CG1 4.42Å; K303-V399 HydrophobicContact CD-CB 4.48Å; K303-V399 WeakPolarHBondContact CD-O 3.24Å; K303-V399 WeakPolarHBondContact CE-O 3.16Å; K303-V399 PolarHBondContact NZ-O 3.02Å; F354-V399 HydrophobicContact CD1-CG2 4.11Å; F354-V399 HydrophobicContact CE1-CG2 3.74Å; Q395-V399 WeakPolarHBondContact O-CG2 3.31Å; Q395-V399 PolarHBondContact O-N 3.3Å; M396-V399 WeakPolarHBondContact O-CB 3.26Å; M396-V399 PolarHBondContact O-N 3.46Å; E397-V399 VanDerWaalsContact C-N 3.26Å; E397-V399 PolarHBondContact O-N 3.33Å; V399-V401 VanDerWaalsContact C-N 3.31Å; V399-V401 PolarHBondContact O-N 3.36Å; V399-L407 HydrophobicContact CG1-CB 4Å; V399-L407 HydrophobicContact CG1-CG 4.3Å; V399-L407 VanDerWaalsContact CG1-O 3.24Å; V399-L407 WeakPolarHBondContact CG1-O 3.28Å; V399-L407 HydrophobicContact CG2-CD2 3.92Å; V399-L407 HydrophobicContact CG2-CG 4.42Å
400G68.9Low85Confident39 Ų3953 Ų5340%0.40229%0.285SS..THydrogen-bonded Turntrans75.818.8172.500000113.9G398 S402 E405G398-G400 PolarHBondContact O-N 3.08Å; G400-S402 VanDerWaalsContact C-N 3.29Å; G400-E405 PolarHBondContact N-OE2 2.94Å
401V69.3Low85.3Confident113 Ų11348.7 Ų48.769%0.68526%0.262SS*.SBendtrans-66.4-39.5166173.50000109.6G398 V399G398-V401 VanDerWaalsContact O-CG2 3.3Å; G398-V401 WeakPolarHBondContact O-CG2 3.43Å; G398-V401 PolarHBondContact O-N 3.21Å; V399-V401 VanDerWaalsContact C-N 3.31Å; V399-V401 PolarHBondContact O-N 3.36Å
402S71Confident85.6Confident71 Ų7147.7 Ų47.750%0.49726%0.257SS..SBendtrans-87.4131.9172.2-61.60000110.1G400 E404 E405G400-S402 VanDerWaalsContact C-N 3.29Å; S402-E404 PolarHBondContact O-N 2.78Å; S402-E404 VanDerWaalsContact O-N 3.07Å; S402-E405 PolarHBondContact O-N 3.06Å
403K70.1Confident85.7Confident216 Ų21647.5 Ų47.594%0.93926%0.256SS*.THydrogen-bonded Turntrans-58.8-22176.1-68.2-178.2-179.6176.20113.2
404E74.9Confident85.9Confident171 Ų17148.5 Ų48.580%0.79926%0.263SS*.THydrogen-bonded Turntrans-85.9-16.7-179.6-63174.4-17400113S402 R406S402-E404 PolarHBondContact O-N 2.78Å; S402-E404 VanDerWaalsContact O-N 3.07Å; E404-R406 PolarHBondContact O-N 3.17Å
405E79.9Confident86Confident29 Ų2950.6 Ų50.614%0.13626%0.26CS..  trans-79.9103.2-178.7-171.1-175.7-176.400110.3R358 G400 S402 L407R358-E405 WeakPolarHBondContact CD-OE1 3.15Å; R358-E405 HydrophobicContact CG-CG 4.09Å; R358-E405 WeakPolarHBondContact CG-OE1 3.12Å; R358-E405 IonicContact CZ-OE1 3.31Å; R358-E405 IonicContact NE-OE1 3.7Å; R358-E405 PolarHBondContact NE-OE1 2.66Å; G400-E405 PolarHBondContact N-OE2 2.94Å; S402-E405 PolarHBondContact O-N 3.06Å; E405-L407 HydrophobicContact CG-CB 4.04Å; E405-L407 PolarHBondContact O-N 3.46Å
406R86.1Confident86.1Confident90 Ų9049.5 Ų49.534%0.3426%0.255SS..  trans-101.873175.5-65.6-176.4-67.1173.2-3.5109.8M289 S361 P362 S363 E404M289-R406 HydrophobicContact CE-CB 4.02Å; M289-R406 HydrophobicContact CE-CG 4.36Å; M289-R406 HydrophobicContact SD-CB 4.08Å; S361-R406 PolarHBondContact OG-N 2.88Å; S361-R406 VanDerWaalsContact OG-N 3.16Å; P362-R406 WeakPolarHBondContact CA-O 3.32Å; P362-R406 HydrophobicContact CB-CB 4.02Å; S363-R406 PolarHBondContact N-O 2.96Å; E404-R406 PolarHBondContact O-N 3.17Å
407L92.1Very high86.2Confident9 Ų953.2 Ų53.25%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-117.4130.8-179.7-179.163.2000110.2F354 A357 R358 S363 I365 V399 E405F354-L407 HydrophobicContact CD1-CD2 3.76Å; F354-L407 HydrophobicContact CE1-CD2 4.2Å; A357-L407 HydrophobicContact CB-CD1 3.71Å; A357-L407 HydrophobicContact CB-CD2 4.4Å; R358-L407 HydrophobicContact CG-CD2 4.31Å; S363-L407 WeakPolarHBondContact O-CA 3.46Å; I365-L407 HydrophobicContact CD1-CD1 3.84Å; I365-L407 HydrophobicContact CD1-CD2 4.17Å; I365-L407 HydrophobicContact CD1-CG 4.42Å; I365-L407 HydrophobicContact CG1-CD1 3.92Å; V399-L407 HydrophobicContact CG1-CB 4Å; V399-L407 HydrophobicContact CG1-CG 4.3Å; V399-L407 VanDerWaalsContact CG1-O 3.24Å; V399-L407 WeakPolarHBondContact CG1-O 3.28Å; V399-L407 HydrophobicContact CG2-CD2 3.92Å; V399-L407 HydrophobicContact CG2-CG 4.42Å; E405-L407 HydrophobicContact CG-CB 4.04Å; E405-L407 PolarHBondContact O-N 3.46Å
408L92.8Very high86.5Confident4 Ų451 Ų512%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-121133175.9174.668.8000110.1V285 S302 V305 I322 S363 V364 I365 I410V285-L408 HydrophobicContact CB-CD2 4.26Å; V285-L408 HydrophobicContact CG1-CD2 3.38Å; V285-L408 HydrophobicContact CG2-CD1 4.3Å; V285-L408 HydrophobicContact CG2-CD2 3.79Å; S302-L408 VanDerWaalsContact O-CD1 3.27Å; S302-L408 WeakPolarHBondContact O-CD1 3.37Å; V305-L408 HydrophobicContact CG2-CD1 4.08Å; I322-L408 HydrophobicContact CG2-CD2 4.25Å; S363-L408 PolarHBondContact O-N 2.94Å; V364-L408 CarbonylContact C-O 3.53Å; V364-L408 WeakPolarHBondContact CA-O 3.43Å; V364-L408 HydrophobicContact CG2-CB 4.39Å; V364-L408 HydrophobicContact CG2-CD2 4.42Å; I365-L408 PolarHBondContact N-O 2.7Å; L408-I410 HydrophobicContact CD2-CD1 3.89Å; L408-I410 HydrophobicContact CD2-CG1 3.84Å; L408-I410 HydrophobicContact CG-CG1 3.96Å
409V95.1Very high87Confident0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-103.6123.9172-174.30000109.6K303 G304 V305 F354 I365 I367 F392 M396 F427K303-V409 PolarHBondContact O-N 3.44Å; K303-V409 VanDerWaalsContact O-N 3.1Å; G304-V409 VanDerWaalsContact CA-O 3.31Å; G304-V409 WeakPolarHBondContact CA-O 3.32Å; V305-V409 PolarHBondContact N-O 2.96Å; F354-V409 HydrophobicContact CE1-CG2 3.91Å; F354-V409 HydrophobicContact CZ-CG2 4.01Å; I365-V409 CarbonylContact O-C 3.59Å; I365-V409 WeakPolarHBondContact O-CA 3.13Å; I367-V409 HydrophobicContact CD1-CG1 4.23Å; F392-V409 HydrophobicContact CZ-CG1 4.08Å; M396-V409 HydrophobicContact CE-CB 4.08Å; M396-V409 HydrophobicContact CE-CG1 4.13Å; M396-V409 HydrophobicContact CE-CG2 4.49Å; M396-V409 HydrophobicContact CG-CG2 4.39Å; M396-V409 HydrophobicContact SD-CG1 4.45Å; V409-F427 HydrophobicContact CG1-CE1 4.1Å; V409-F427 HydrophobicContact CG1-CZ 4.45Å
410I95.9Very high87.6Confident0 Ų051.3 Ų51.30%025%0.253CS..EExtended strand (participates in β ladder)trans-113.9117.3175.6-55179.5000108.2V305 L307 I322 V364 I365 F366 I367 L408V305-I410 CarbonylContact O-C 3.6Å; V305-I410 VanDerWaalsContact O-CA 3.29Å; V305-I410 WeakPolarHBondContact O-CA 3.42Å; L307-I410 HydrophobicContact CD1-CG2 3.93Å; L307-I410 HydrophobicContact CG-CG2 3.94Å; I322-I410 HydrophobicContact CB-CD1 4.17Å; I322-I410 HydrophobicContact CD1-CD1 3.79Å; I322-I410 HydrophobicContact CG2-CD1 3.91Å; V364-I410 HydrophobicContact CG1-CD1 3.56Å; V364-I410 HydrophobicContact CG1-CG1 4Å; I365-I410 PolarHBondContact O-N 3.02Å; F366-I410 CarbonylContact C-O 3.59Å; F366-I410 WeakPolarHBondContact CA-O 3.13Å; F366-I410 HydrophobicContact CD2-CB 3.99Å; F366-I410 HydrophobicContact CD2-CG2 3.74Å; F366-I410 HydrophobicContact CE2-CG2 4.07Å; I367-I410 PolarHBondContact N-O 3.01Å; L408-I410 HydrophobicContact CD2-CD1 3.89Å; L408-I410 HydrophobicContact CD2-CG1 3.84Å; L408-I410 HydrophobicContact CG-CG1 3.96Å
411G96.6Very high88.7Confident0 Ų054 Ų540%026%0.255CS..EExtended strand (participates in β ladder)trans-95.4138.417000000110.9V305 L306 L307 I367V305-G411 PolarHBondContact O-N 3.23Å; L306-G411 CarbonylContact C-O 3.48Å; L306-G411 WeakPolarHBondContact CA-O 3.3Å; L307-G411 PolarHBondContact N-O 3.32Å; I367-G411 CarbonylContact O-C 3.53Å
412A97.3Very high89.8Confident0 Ų049.6 Ų49.60%023%0.23CC..EExtended strand (participates in β ladder)trans-116.9134168.500000110.7L307 K315 F366 I367 E369 V370L307-A412 WeakPolarHBondContact O-CA 3.5Å; K315-A412 HydrophobicContact CB-CB 4.13Å; K315-A412 HydrophobicContact CD-CB 4.47Å; F366-A412 HydrophobicContact CE1-CB 4.42Å; F366-A412 HydrophobicContact CE2-CB 3.7Å; F366-A412 HydrophobicContact CZ-CB 3.41Å; F366-A412 VanDerWaalsContact CZ-CB 3.41Å; I367-A412 PolarHBondContact O-N 3.31Å; E369-A412 WeakPolarHBondContact CA-O 3.43Å; E369-A412 PolarHBondContact N-O 3.09Å; V370-A412 WeakPolarHBondContact CG2-O 3.45Å; V370-A412 PolarHBondContact N-O 2.89Å
413T96.3Very high90.8Very high0 Ų046.2 Ų46.20%021%0.206CC..EExtended strand (participates in β ladder)trans-142.3147.5177.4-175.20000112.2L306 L307 F308 G309 K315 V370 D371 R415 P416 L419L306-T413 HydrophobicContact CD1-CG2 4.03Å; L306-T413 HydrophobicContact CD2-CG2 4.42Å; L306-T413 HydrophobicContact CG-CG2 4.42Å; L307-T413 PolarHBondContact O-N 3.09Å; F308-T413 WeakPolarHBondContact CA-O 3.26Å; F308-T413 HydrophobicContact CB-CG2 3.8Å; G309-T413 PolarHBondContact N-O 3.13Å; K315-T413 WeakPolarHBondContact CE-O 3.28Å; V370-T413 HydrophobicContact CG2-CG2 4.42Å; D371-T413 WeakPolarHBondContact CB-OG1 3.05Å; D371-T413 WeakPolarHBondContact OD1-CB 3.26Å; D371-T413 PolarHBondContact OD1-OG1 3.22Å; T413-R415 PolarHBondContact OG1-N 3.49Å; T413-P416 HydrophobicContact CG2-CB 4.08Å; T413-L419 HydrophobicContact CG2-CD1 4.13Å
414N95.3Very high91.9Very high43 Ų4337.7 Ų37.723%0.2317%0.168CC..SBendtrans-93.9-11167.3-60.6-44.7000111.8G309 K315 Y532G309-N414 PolarHBondContact O-OD1 2.92Å; K315-N414 WeakPolarHBondContact CE-OD1 3.11Å; K315-N414 PolarHBondContact NZ-OD1 3.12Å; N414-Y532 VanDerWaalsContact O-CE1 3.31Å; N414-Y532 WeakPolarHBondContact O-CE1 3.46Å; N414-Y532 PolarHBondContact O-OH 3.31Å
415R94Very high92.8Very high114 Ų11437.6 Ų37.643%0.4316%0.161SC..  trans-132.666.2-171.4-55.9-171.1-173.4176.83.3111.6D371 T413 W417 E418D371-R415 HydrophobicContact CB-CB 4.48Å; T413-R415 PolarHBondContact OG1-N 3.49Å; R415-W417 HydrophobicContact CB-CZ2 4.05Å; R415-W417 HydrophobicContact CG-CZ2 4.04Å; R415-W417 PolarHBondContact O-N 3.35Å; R415-W417 VanDerWaalsContact O-N 3.08Å; R415-E418 HydrophobicContact CB-CB 4.38Å; R415-E418 HydrophobicContact CB-CG 4.06Å; R415-E418 WeakPolarHBondContact CD-OE1 3.43Å; R415-E418 IonicContact CZ-OE1 3.03Å; R415-E418 IonicContact NE-OE1 3.55Å; R415-E418 IonicContact NH1-OE1 3.3Å; R415-E418 PolarHBondContact NH1-OE1 3.02Å; R415-E418 IonicContact NH1-OE2 2.79Å; R415-E418 PolarHBondContact O-N 3.3Å
416P94.8Very high93.4Very high0 Ų039.1 Ų39.10%017%0.165CC..G310 helixtrans-63.6-19.4-173.530.1-39.5000114F308 T413 E418 Y532 W535F308-P416 HydrophobicContact CB-CB 4Å; F308-P416 HydrophobicContact CB-CG 4.2Å; F308-P416 HydrophobicContact CD2-CB 4.2Å; F308-P416 HydrophobicContact CD2-CG 3.85Å; F308-P416 HydrophobicContact CG-CB 4.19Å; F308-P416 HydrophobicContact CG-CG 4.29Å; T413-P416 HydrophobicContact CG2-CB 4.08Å; P416-E418 VanDerWaalsContact C-N 3.33Å; P416-Y532 HydrophobicContact CG-CD1 4.26Å; P416-Y532 HydrophobicContact CG-CE1 4.47Å; P416-W535 HydrophobicContact CB-CD2 3.77Å; P416-W535 HydrophobicContact CB-CE3 4.07Å; P416-W535 HydrophobicContact CB-CG 4.32Å; P416-W535 HydrophobicContact CB-CH2 4.02Å; P416-W535 HydrophobicContact CB-CZ2 3.71Å; P416-W535 HydrophobicContact CB-CZ3 4.2Å; P416-W535 HydrophobicContact CG-CD2 4.03Å; P416-W535 HydrophobicContact CG-CE3 4.37Å; P416-W535 HydrophobicContact CG-CG 4.16Å; P416-W535 PolarHBondContact O-NE1 3.41Å
417W93.8Very high93.8Very high84 Ų8434.9 Ų34.932%0.31815%0.149SC..G310 helixtrans-73.5-18.5174.75283000114.5K376 R415 L419 E531 Y532K376-W417 VanDerWaalsContact CE-O 3.32Å; K376-W417 WeakPolarHBondContact CE-O 3.36Å; K376-W417 PolarHBondContact NZ-O 3.43Å; R415-W417 HydrophobicContact CB-CZ2 4.05Å; R415-W417 HydrophobicContact CG-CZ2 4.04Å; R415-W417 PolarHBondContact O-N 3.35Å; R415-W417 VanDerWaalsContact O-N 3.08Å; W417-L419 VanDerWaalsContact C-N 3.34Å; W417-E531 HydrophobicContact CZ3-CB 4.38Å; W417-Y532 AromaticContact CH2-CE1 3.95Å; W417-Y532 HydrophobicContact CH2-CE1 3.95Å; W417-Y532 HydrophobicContact CH2-CE2 4.42Å; W417-Y532 AromaticContact CH2-CZ 3.82Å; W417-Y532 HydrophobicContact CZ3-CD1 4.01Å; W417-Y532 AromaticContact CZ3-CE1 3.74Å; W417-Y532 HydrophobicContact CZ3-CE1 3.74Å
418E93.3Very high93.7Very high58 Ų5837.8 Ų37.827%0.27117%0.168SC..G310 helixtrans-81.3-15.6176.3-66.2-171.7-167.500112.7D371 T375 K376 R415 P416D371-E418 HydrophobicContact CB-CB 4.42Å; T375-E418 WeakPolarHBondContact CA-O 3.29Å; K376-E418 PolarHBondContact N-O 2.94Å; R415-E418 HydrophobicContact CB-CB 4.38Å; R415-E418 HydrophobicContact CB-CG 4.06Å; R415-E418 WeakPolarHBondContact CD-OE1 3.43Å; R415-E418 IonicContact CZ-OE1 3.03Å; R415-E418 IonicContact NE-OE1 3.55Å; R415-E418 IonicContact NH1-OE1 3.3Å; R415-E418 PolarHBondContact NH1-OE1 3.02Å; R415-E418 IonicContact NH1-OE2 2.79Å; R415-E418 PolarHBondContact O-N 3.3Å; P416-E418 VanDerWaalsContact C-N 3.33Å
419L92.7Very high93.8Very high2 Ų242.2 Ų42.21%0.0118%0.184CC..BIsolated β-bridgetrans-67.9135.7180-68.1174.5000112.4L306 V370 D371 L374 T413 W417 A423 R424L306-L419 HydrophobicContact CD1-CD1 4.07Å; L306-L419 HydrophobicContact CD2-CD1 3.59Å; V370-L419 HydrophobicContact CG2-CD2 4.17Å; D371-L419 HydrophobicContact CB-CD2 4.42Å; L374-L419 HydrophobicContact CB-CD2 3.94Å; T413-L419 HydrophobicContact CG2-CD1 4.13Å; W417-L419 VanDerWaalsContact C-N 3.34Å; L419-A423 HydrophobicContact CD2-CB 4.44Å; L419-R424 HydrophobicContact CB-CG 4.49Å
420D90.4Very high93.8Very high35 Ų3544.7 Ų44.719%0.18719%0.193CC..  trans-68.7157174.8-165.210.8000112.3L374 A422 A423 R424L374-D420 PolarHBondContact O-N 3.5Å; L374-D420 VanDerWaalsContact O-N 3.14Å; D420-A422 PolarHBondContact O-N 2.86Å; D420-A423 PolarHBondContact O-N 3.18Å; D420-R424 PolarHBondContact O-N 2.91Å; D420-R424 VanDerWaalsContact O-N 3.1Å
421E91.8Very high93.7Very high96 Ų9644.9 Ų44.945%0.44919%0.194SC..Hα-helixtrans-46.9-42.9168.8-64.9-107.2126.900111.8R424 R425E421-R424 VanDerWaalsContact CD-NH2 3.33Å; E421-R424 VanDerWaalsContact CG-NH2 3.25Å; E421-R424 PolarHBondContact O-N 2.89Å; E421-R424 IonicContact OE1-CZ 3.86Å; E421-R424 IonicContact OE1-NH2 2.99Å; E421-R424 PolarHBondContact OE1-NH2 3.34Å; E421-R425 WeakPolarHBondContact O-CG 3.38Å; E421-R425 PolarHBondContact O-N 2.96Å; E421-R425 IonicContact OE2-NH2 3.42Å; E421-R425 PolarHBondContact OE2-NH2 3.39Å
422A92Very high93.7Very high19 Ų1946.1 Ų46.116%0.15720%0.199CC..Hα-helixtrans-61.4-49.3-177.100000111.2F393 D420 R424 R425 R426F393-A422 HydrophobicContact CD2-CB 4.47Å; F393-A422 HydrophobicContact CE2-CB 3.79Å; F393-A422 HydrophobicContact CZ-CB 3.9Å; D420-A422 PolarHBondContact O-N 2.86Å; A422-R424 PolarHBondContact O-N 2.92Å; A422-R425 PolarHBondContact O-N 2.74Å; A422-R426 VanDerWaalsContact C-NH1 3.35Å; A422-R426 WeakPolarHBondContact O-CD 3.39Å; A422-R426 PolarHBondContact O-N 2.87Å; A422-R426 PolarHBondContact O-NH1 3.37Å
423A92.6Very high93.6Very high0 Ų046.1 Ų46.10%020%0.199CC..Hα-helixtrans-61.7-44.1177.500000111.7L374 F393 L419 D420 R425 R426 F427L374-A423 HydrophobicContact CB-CB 3.91Å; L374-A423 HydrophobicContact CD1-CB 3.86Å; L374-A423 HydrophobicContact CG-CB 4.44Å; F393-A423 HydrophobicContact CE1-CB 4.14Å; F393-A423 HydrophobicContact CZ-CB 4.15Å; L419-A423 HydrophobicContact CD2-CB 4.44Å; D420-A423 PolarHBondContact O-N 3.18Å; A423-R425 VanDerWaalsContact C-N 3.26Å; A423-R425 PolarHBondContact O-N 3.29Å; A423-R426 PolarHBondContact O-N 3.1Å; A423-R426 VanDerWaalsContact O-N 3.08Å; A423-F427 WeakPolarHBondContact O-CD2 3.41Å; A423-F427 PolarHBondContact O-N 3.06Å
424R92.3Very high93.5Very high37 Ų3748.1 Ų48.114%0.1421%0.212CC..Hα-helixtrans-55.8-39.8176.5-72.7-175.3-71.8146.61.8111.9L419 D420 E421 A422 R426 F427 R430 Y539L419-R424 HydrophobicContact CB-CG 4.49Å; D420-R424 PolarHBondContact O-N 2.91Å; D420-R424 VanDerWaalsContact O-N 3.1Å; E421-R424 VanDerWaalsContact CD-NH2 3.33Å; E421-R424 VanDerWaalsContact CG-NH2 3.25Å; E421-R424 PolarHBondContact O-N 2.89Å; E421-R424 IonicContact OE1-CZ 3.86Å; E421-R424 IonicContact OE1-NH2 2.99Å; E421-R424 PolarHBondContact OE1-NH2 3.34Å; A422-R424 PolarHBondContact O-N 2.92Å; R424-R426 PolarHBondContact O-N 3.34Å; R424-F427 VanDerWaalsContact O-O 3.06Å; R424-R430 PolarHBondContact O-NH2 3.4Å; R424-Y539 PolarHBondContact NH1-OH 3.32Å; R424-Y539 VanDerWaalsContact NH1-OH 3.14Å
425R92.6Very high93.4Very high169 Ų16947.5 Ų47.564%0.63821%0.208SC*.Hα-helixtrans-65-33.3178-70176.8-168.6175.86.9113.8E421 A422 A423E421-R425 WeakPolarHBondContact O-CG 3.38Å; E421-R425 PolarHBondContact O-N 2.96Å; E421-R425 IonicContact OE2-NH2 3.42Å; E421-R425 PolarHBondContact OE2-NH2 3.39Å; A422-R425 PolarHBondContact O-N 2.74Å; A423-R425 VanDerWaalsContact C-N 3.26Å; A423-R425 PolarHBondContact O-N 3.29Å
426R92.8Very high93.3Very high62 Ų6242.9 Ų42.923%0.23419%0.193CC..Hα-helixtrans-84.8-36.5-176.2-75.477.5-177.4172.9-3.1112.2F393 M396 E397 A422 A423 R424 T428F393-R426 HydrophobicContact CD1-CG 4.4Å; M396-R426 HydrophobicContact CE-CB 3.83Å; M396-R426 HydrophobicContact SD-CB 4.08Å; E397-R426 IonicContact OE1-CZ 3.89Å; E397-R426 VanDerWaalsContact OE1-CZ 3.31Å; E397-R426 IonicContact OE1-NE 3.09Å; E397-R426 PolarHBondContact OE1-NE 3.27Å; E397-R426 IonicContact OE1-NH2 2.7Å; E397-R426 PolarHBondContact OE1-NH2 2.57Å; A422-R426 VanDerWaalsContact C-NH1 3.35Å; A422-R426 WeakPolarHBondContact O-CD 3.39Å; A422-R426 PolarHBondContact O-N 2.87Å; A422-R426 PolarHBondContact O-NH1 3.37Å; A423-R426 PolarHBondContact O-N 3.1Å; A423-R426 VanDerWaalsContact O-N 3.08Å; R424-R426 PolarHBondContact O-N 3.34Å; R426-T428 PolarHBondContact O-N 2.66Å; R426-T428 VanDerWaalsContact O-N 3.13Å
427F94.2Very high93Very high1 Ų147.4 Ų47.40%0.00422%0.218CC..  trans-81.585.8169.1-65.8-67.2000109.8G304 V305 L306 L374 M396 V409 A423 R424 R430G304-F427 CarbonylContact O-C 3.46Å; V305-F427 WeakPolarHBondContact O-CD1 3.44Å; L306-F427 HydrophobicContact CB-CB 3.81Å; L306-F427 HydrophobicContact CB-CD1 4.32Å; L306-F427 HydrophobicContact CB-CG 4.03Å; L306-F427 HydrophobicContact CD1-CD2 4.36Å; L306-F427 HydrophobicContact CD1-CG 4.48Å; L374-F427 HydrophobicContact CD1-CE2 3.74Å; L374-F427 HydrophobicContact CD1-CZ 4.4Å; M396-F427 HydrophobicContact CE-CD1 4.26Å; M396-F427 HydrophobicContact CE-CE1 3.94Å; M396-F427 HydrophobicContact CE-CZ 4.18Å; M396-F427 HydrophobicContact SD-CZ 4.32Å; V409-F427 HydrophobicContact CG1-CE1 4.1Å; V409-F427 HydrophobicContact CG1-CZ 4.45Å; A423-F427 WeakPolarHBondContact O-CD2 3.41Å; A423-F427 PolarHBondContact O-N 3.06Å; R424-F427 VanDerWaalsContact O-O 3.06Å; F427-R430 PolarHBondContact O-NE 3.42Å; F427-R430 PolarHBondContact O-NH2 2.75Å
428T91.9Very high92.6Very high70 Ų7046.2 Ų46.243%0.42922%0.217SC..  trans-71.7-34.8-172.551.90000113.2S302 G304 R426S302-T428 WeakPolarHBondContact CB-OG1 3.47Å; G304-T428 PolarHBondContact O-N 3.47Å; G304-T428 VanDerWaalsContact O-N 3.15Å; R426-T428 PolarHBondContact O-N 2.66Å; R426-T428 VanDerWaalsContact O-N 3.13Å
429R93.1Very high92.2Very high96 Ų9650 Ų5036%0.36224%0.235SC..EExtended strand (participates in β ladder)trans-102.6120.8175.9-58-64.1-172.9-168.40.9109I284 V305 L306I284-R429 HydrophobicContact CD1-CB 3.86Å; I284-R429 HydrophobicContact CD1-CG 3.93Å; V305-R429 CarbonylContact C-O 3.49Å; V305-R429 WeakPolarHBondContact CA-O 3.44Å; V305-R429 HydrophobicContact CG2-CB 4.25Å; L306-R429 PolarHBondContact N-O 3.49Å
430R95.4Very high92Very high52 Ų5250 Ų5020%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-119.6116.9177.2-48.7104.5-169.6168.48.4109.6L306 F308 R424 F427 W535 Y539 F541L306-R430 HydrophobicContact CB-CB 4.19Å; L306-R430 HydrophobicContact CB-CG 3.94Å; L306-R430 HydrophobicContact CD2-CB 4.35Å; L306-R430 HydrophobicContact CD2-CG 4.02Å; L306-R430 CarbonylContact O-C 3.58Å; L306-R430 VanDerWaalsContact O-CA 3.31Å; L306-R430 WeakPolarHBondContact O-CA 3.18Å; F308-R430 HydrophobicContact CD1-CB 4.18Å; F308-R430 HydrophobicContact CE1-CB 3.92Å; R424-R430 PolarHBondContact O-NH2 3.4Å; F427-R430 PolarHBondContact O-NE 3.42Å; F427-R430 PolarHBondContact O-NH2 2.75Å; R430-W535 HydrophobicContact CB-CH2 4.21Å; R430-W535 HydrophobicContact CB-CZ3 4.08Å; R430-W535 HydrophobicContact CG-CH2 4.17Å; R430-Y539 WeakPolarHBondContact CD-O 3.49Å; R430-Y539 PolarHBondContact NH1-O 3.3Å; R430-F541 WeakPolarHBondContact O-CB 3.33Å; R430-F541 PolarHBondContact O-N 3.48Å
431L95.1Very high92Very high4 Ų449.8 Ų49.82%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-107.4122.7-174.5-61.9172.1000109.7V277 A280 I281 I284 V305 L306 L307 F308 F541V277-L431 HydrophobicContact CG1-CB 4.44Å; V277-L431 HydrophobicContact CG1-CD1 4.38Å; A280-L431 HydrophobicContact CB-CD2 4.29Å; I281-L431 HydrophobicContact CD1-CD1 3.92Å; I281-L431 HydrophobicContact CG1-CD1 3.36Å; I284-L431 HydrophobicContact CD1-CD1 4.28Å; V305-L431 HydrophobicContact CG1-CD1 4.04Å; V305-L431 HydrophobicContact CG1-CG 4.48Å; L306-L431 PolarHBondContact O-N 3.5Å; L307-L431 HydrophobicContact CD2-CB 3.99Å; L307-L431 HydrophobicContact CD2-CD1 3.96Å; F308-L431 VanDerWaalsContact CD1-O 3.26Å; F308-L431 WeakPolarHBondContact CD1-O 3.32Å; F308-L431 VanDerWaalsContact CE1-C 3.41Å; F308-L431 PolarHBondContact N-O 3.41Å; L431-F541 HydrophobicContact CD2-CB 4.3Å; L431-F541 HydrophobicContact CD2-CD1 3.75Å
432Y95.8Very high91.6Very high27 Ų2745.8 Ų45.811%0.10622%0.215CC..EExtended strand (participates in β ladder)trans-77.7127.2173.1178.9-134.9000110.3F308 P434 Y532 E533 N536F308-Y432 AromaticContact CD2-CD2 3.95Å; F308-Y432 HydrophobicContact CD2-CD2 3.95Å; F308-Y432 AromaticContact CE2-CD2 3.57Å; F308-Y432 HydrophobicContact CE2-CD2 3.57Å; F308-Y432 HydrophobicContact CE2-CG 4.02Å; F308-Y432 VanDerWaalsContact CZ-CB 3.5Å; F308-Y432 HydrophobicContact CZ-CD2 4.19Å; F308-Y432 HydrophobicContact CZ-CG 4.2Å; F308-Y432 CarbonylContact O-C 3.57Å; F308-Y432 WeakPolarHBondContact O-CA 3.48Å; Y432-P434 HydrophobicContact CD1-CB 4.26Å; Y432-P434 HydrophobicContact CE1-CB 3.63Å; Y432-P434 HydrophobicContact CE1-CG 4.4Å; Y432-P434 VanDerWaalsContact O-CD 3.27Å; Y432-P434 WeakPolarHBondContact O-CD 3.43Å; Y432-Y532 HydrophobicContact CE2-CD1 4.5Å; Y432-Y532 HydrophobicContact CE2-CG 4.14Å; Y432-E533 HydrophobicContact CE1-CG 4.49Å; Y432-N536 WeakPolarHBondContact CB-OD1 3.23Å; Y432-N536 HydrophobicContact CG-CB 4.34Å
433I95.5Very high91.3Very high0 Ų047.1 Ų47.10%022%0.22CC..  trans-107.892.9174.7-48.5-54000108.1L274 V277 L307 F308 T313 K315 I318L274-I433 HydrophobicContact CD1-CG2 3.85Å; L274-I433 HydrophobicContact CD2-CG2 4.48Å; V277-I433 HydrophobicContact CG1-CD1 3.65Å; L307-I433 HydrophobicContact CB-CG1 4.4Å; L307-I433 HydrophobicContact CD2-CD1 4.45Å; F308-I433 PolarHBondContact O-N 3.49Å; T313-I433 WeakPolarHBondContact OG1-CG2 3.44Å; T313-I433 PolarHBondContact OG1-O 3.05Å; K315-I433 HydrophobicContact CG-CB 4.22Å; K315-I433 HydrophobicContact CG-CG1 3.99Å; I318-I433 HydrophobicContact CD1-CD1 3.78Å; I318-I433 HydrophobicContact CD1-CG1 4.21Å; I318-I433 HydrophobicContact CD1-CG2 4.03Å
434P93.9Very high91.1Very high42 Ų4248.6 Ų48.627%0.27323%0.227SC..PPolyproline II helixtrans-70.3173.4-177.829.2-36.9000112.6L274 T313 Y432L274-P434 HydrophobicContact CD2-CG 3.84Å; T313-P434 WeakPolarHBondContact CG2-O 3.5Å; Y432-P434 HydrophobicContact CD1-CB 4.26Å; Y432-P434 HydrophobicContact CE1-CB 3.63Å; Y432-P434 HydrophobicContact CE1-CG 4.4Å; Y432-P434 VanDerWaalsContact O-CD 3.27Å; Y432-P434 WeakPolarHBondContact O-CD 3.43Å
435L93.4Very high90.8Very high29 Ų2947 Ų4715%0.15222%0.221CC..PPolyproline II helixtrans-59.7147.4164.2-67.9-179.1000110.8P310 T313 N437 V524 I529P310-L435 HydrophobicContact CB-CD2 4.17Å; P310-L435 HydrophobicContact CG-CD2 4.33Å; P310-L435 HydrophobicContact CG-CG 4.39Å; T313-L435 HydrophobicContact CG2-CD2 4.03Å; L435-N437 PolarHBondContact O-N 2.82Å; L435-V524 HydrophobicContact CD1-CG1 4.35Å; L435-V524 HydrophobicContact CD2-CB 4.44Å; L435-V524 HydrophobicContact CD2-CG1 4.4Å; L435-V524 HydrophobicContact CD2-CG2 4.14Å; L435-I529 HydrophobicContact CD1-CD1 3.48Å; L435-I529 VanDerWaalsContact CD1-CD1 3.48Å; L435-I529 HydrophobicContact CD1-CG1 4.36Å; L435-I529 HydrophobicContact CG-CD1 4.42Å
436P91.5Very high90.4Very high17 Ų1741 Ų4111%0.1121%0.206CC..PPolyproline II helixtrans-62.7133.2-17926.5-34.7000110.5A440 R441 I444 Y474P436-A440 HydrophobicContact CB-CB 3.81Å; P436-R441 HydrophobicContact CB-CG 3.82Å; P436-R441 HydrophobicContact CG-CG 3.69Å; P436-R441 PolarHBondContact O-NH1 3.22Å; P436-I444 HydrophobicContact CB-CD1 4.26Å; P436-Y474 WeakPolarHBondContact CD-O 3.37Å
437N88.6Confident90Very high96 Ų9641.5 Ų41.551%0.51321%0.207SC..  trans-68.4174.1171.369.97.9000111L435 Q439 A440 R441L435-N437 PolarHBondContact O-N 2.82Å; N437-Q439 VanDerWaalsContact C-N 3.29Å; N437-Q439 PolarHBondContact O-N 2.87Å; N437-Q439 PolarHBondContact OD1-N 2.81Å; N437-A440 PolarHBondContact O-N 2.83Å; N437-A440 WeakPolarHBondContact OD1-CB 3.39Å; N437-A440 PolarHBondContact OD1-N 2.77Å; N437-R441 WeakPolarHBondContact O-CG 3.47Å; N437-R441 PolarHBondContact O-N 3.22Å
438L85.1Confident89.5Confident59 Ų5944 Ų4431%0.30922%0.22SC..Hα-helixtrans-55.3-45.4-177.6178.962000112.5A440 R441 A442 N468L438-A440 PolarHBondContact O-N 3.16Å; L438-R441 PolarHBondContact O-N 2.87Å; L438-A442 PolarHBondContact O-N 3.48Å; L438-N468 HydrophobicContact CD1-CB 4.46Å; L438-N468 WeakPolarHBondContact CD1-OD1 3.3Å; L438-N468 VanDerWaalsContact CD2-OD1 3.24Å; L438-N468 WeakPolarHBondContact CD2-OD1 3.19Å
439Q85.8Confident89Confident137 Ų13741.5 Ų41.564%0.6420%0.204SC*.Hα-helixtrans-63.7-42.5179.8-170.162.219.900112N437 A442 D443N437-Q439 VanDerWaalsContact C-N 3.29Å; N437-Q439 PolarHBondContact O-N 2.87Å; N437-Q439 PolarHBondContact OD1-N 2.81Å; Q439-A442 PolarHBondContact O-N 3.48Å; Q439-D443 WeakPolarHBondContact O-CB 3.24Å; Q439-D443 PolarHBondContact O-N 3.25Å
440A89.1Confident88.3Confident3 Ų343.5 Ų43.53%0.02522%0.218CC..Hα-helixtrans-64.7-39.4177.200000111.5A272 P436 N437 L438 D443 I444A272-A440 HydrophobicContact CB-CB 4.32Å; P436-A440 HydrophobicContact CB-CB 3.81Å; N437-A440 PolarHBondContact O-N 2.83Å; N437-A440 WeakPolarHBondContact OD1-CB 3.39Å; N437-A440 PolarHBondContact OD1-N 2.77Å; L438-A440 PolarHBondContact O-N 3.16Å; A440-D443 PolarHBondContact O-N 3.28Å; A440-I444 WeakPolarHBondContact O-CG1 3.4Å; A440-I444 PolarHBondContact O-N 3.06Å
441R88.7Confident87Confident30 Ų3046.5 Ų46.511%0.11324%0.238CC..Hα-helixtrans-63.5-44.8174.8-68.4-170.4-64.1-103.210.6111.8P436 N437 L438 D443 I444 I445 V479P436-R441 HydrophobicContact CB-CG 3.82Å; P436-R441 HydrophobicContact CG-CG 3.69Å; P436-R441 PolarHBondContact O-NH1 3.22Å; N437-R441 WeakPolarHBondContact O-CG 3.47Å; N437-R441 PolarHBondContact O-N 3.22Å; L438-R441 PolarHBondContact O-N 2.87Å; R441-D443 VanDerWaalsContact C-N 3.29Å; R441-D443 PolarHBondContact O-N 2.69Å; R441-I444 PolarHBondContact O-N 3.14Å; R441-I445 VanDerWaalsContact O-CG1 3.29Å; R441-I445 WeakPolarHBondContact O-CG1 3.48Å; R441-I445 PolarHBondContact O-N 3.08Å; R441-V479 HydrophobicContact CG-CG2 4.13Å
442A84.1Confident85.6Confident11 Ų1151.2 Ų51.29%0.09126%0.263CS..Hα-helixtrans-60.1-41.5175.700000111.9L438 Q439 I445 S446 I460 A462L438-A442 PolarHBondContact O-N 3.48Å; Q439-A442 PolarHBondContact O-N 3.48Å; A442-I445 PolarHBondContact O-N 3.16Å; A442-S446 VanDerWaalsContact O-CB 3.31Å; A442-S446 WeakPolarHBondContact O-CB 3.42Å; A442-S446 PolarHBondContact O-N 3.42Å; A442-I460 HydrophobicContact CB-CG2 4.48Å; A442-A462 HydrophobicContact CB-CB 3.82Å
443D86.4Confident83.7Confident48 Ų4854.3 Ų54.326%0.25729%0.294SS..Hα-helixtrans-65-44.1177.1-16820.9000111.9A272 Q439 A440 R441 I445 S446 R447A272-D443 HydrophobicContact CB-CB 4.28Å; Q439-D443 WeakPolarHBondContact O-CB 3.24Å; Q439-D443 PolarHBondContact O-N 3.25Å; A440-D443 PolarHBondContact O-N 3.28Å; R441-D443 VanDerWaalsContact C-N 3.29Å; R441-D443 PolarHBondContact O-N 2.69Å; D443-I445 PolarHBondContact O-N 3.49Å; D443-S446 PolarHBondContact O-N 2.95Å; D443-R447 WeakPolarHBondContact O-CB 3Å; D443-R447 VanDerWaalsContact O-CG 3.24Å; D443-R447 WeakPolarHBondContact O-CG 3.45Å; D443-R447 PolarHBondContact O-N 3.45Å; D443-R447 IonicContact OD1-CZ 2.93Å; D443-R447 IonicContact OD1-NE 2.82Å; D443-R447 PolarHBondContact OD1-NE 3.12Å; D443-R447 IonicContact OD1-NH2 3.51Å; D443-R447 PolarHBondContact OD1-NH2 3.48Å; D443-R447 IonicContact OD2-CZ 3.03Å; D443-R447 IonicContact OD2-NE 3.48Å; D443-R447 PolarHBondContact OD2-NE 3.44Å; D443-R447 IonicContact OD2-NH1 3.23Å; D443-R447 IonicContact OD2-NH2 2.66Å; D443-R447 PolarHBondContact OD2-NH2 2.71Å
444I88.2Confident81.9Confident30 Ų3058.5 Ų58.515%0.15431%0.314CS..Hα-helixtrans-56.5-51.2173.4-67.4163.7000110.5A272 P436 A440 R441 S446 R447 L448 V479A272-I444 HydrophobicContact CB-CD1 4.05Å; A272-I444 HydrophobicContact CB-CG1 3.42Å; A272-I444 VanDerWaalsContact CB-CG1 3.42Å; P436-I444 HydrophobicContact CB-CD1 4.26Å; A440-I444 WeakPolarHBondContact O-CG1 3.4Å; A440-I444 PolarHBondContact O-N 3.06Å; R441-I444 PolarHBondContact O-N 3.14Å; I444-S446 PolarHBondContact O-N 3.38Å; I444-R447 PolarHBondContact O-N 2.67Å; I444-L448 HydrophobicContact CG2-CD1 3.71Å; I444-L448 HydrophobicContact CG2-CG 4.31Å; I444-L448 WeakPolarHBondContact O-CB 3.21Å; I444-L448 VanDerWaalsContact O-CG 3.28Å; I444-L448 WeakPolarHBondContact O-CG 3.33Å; I444-L448 PolarHBondContact O-N 2.87Å; I444-V479 HydrophobicContact CB-CG1 4.25Å; I444-V479 HydrophobicContact CG2-CB 4.28Å; I444-V479 HydrophobicContact CG2-CG1 3.73Å
445I85.3Confident80.2Confident4 Ų458.5 Ų58.52%0.02131%0.313CS..Hα-helixtrans-60.2-48-179.8-66.5166.3000110.2R441 A442 D443 R447 L448 L449 W471 V479 F513R441-I445 VanDerWaalsContact O-CG1 3.29Å; R441-I445 WeakPolarHBondContact O-CG1 3.48Å; R441-I445 PolarHBondContact O-N 3.08Å; A442-I445 PolarHBondContact O-N 3.16Å; D443-I445 PolarHBondContact O-N 3.49Å; I445-R447 VanDerWaalsContact C-N 3.35Å; I445-R447 PolarHBondContact O-N 3.11Å; I445-L448 PolarHBondContact O-N 3.48Å; I445-L449 HydrophobicContact CG2-CD1 3.67Å; I445-L449 HydrophobicContact CG2-CG 4.21Å; I445-L449 WeakPolarHBondContact O-CB 3.5Å; I445-L449 VanDerWaalsContact O-CG 3.25Å; I445-L449 WeakPolarHBondContact O-CG 3.4Å; I445-L449 PolarHBondContact O-N 3.29Å; I445-W471 HydrophobicContact CD1-CH2 4.05Å; I445-W471 HydrophobicContact CD1-CZ2 3.87Å; I445-V479 HydrophobicContact CD1-CG1 4.16Å; I445-V479 HydrophobicContact CG1-CG1 3.55Å; I445-F513 HydrophobicContact CG2-CZ 4.43Å
446S83.6Confident78.2Confident44 Ų4467.9 Ų67.931%0.30835%0.347SS..Hα-helixtrans-56.8-47.7180-175.20000111.7A442 D443 I444 L449 H450A442-S446 VanDerWaalsContact O-CB 3.31Å; A442-S446 WeakPolarHBondContact O-CB 3.42Å; A442-S446 PolarHBondContact O-N 3.42Å; D443-S446 PolarHBondContact O-N 2.95Å; I444-S446 PolarHBondContact O-N 3.38Å; S446-L449 PolarHBondContact O-N 3.07Å; S446-H450 VanDerWaalsContact O-CB 3.27Å; S446-H450 WeakPolarHBondContact O-CB 3.45Å; S446-H450 PolarHBondContact O-N 3.01Å
447R84.2Confident76.3Confident71 Ų7175.9 Ų75.927%0.26838%0.382SS..Hα-helixtrans-66-43.7179.8-68169.3-170.3-161.4-9.4112.5D269 D270 D443 I444 I445 L449 H450 N451D269-R447 PolarHBondContact O-NH1 3.1Å; D269-R447 PolarHBondContact O-NH2 2.96Å; D270-R447 PolarHBondContact O-NH1 3.03Å; D443-R447 WeakPolarHBondContact O-CB 3Å; D443-R447 VanDerWaalsContact O-CG 3.24Å; D443-R447 WeakPolarHBondContact O-CG 3.45Å; D443-R447 PolarHBondContact O-N 3.45Å; D443-R447 IonicContact OD1-CZ 2.93Å; D443-R447 IonicContact OD1-NE 2.82Å; D443-R447 PolarHBondContact OD1-NE 3.12Å; D443-R447 IonicContact OD1-NH2 3.51Å; D443-R447 PolarHBondContact OD1-NH2 3.48Å; D443-R447 IonicContact OD2-CZ 3.03Å; D443-R447 IonicContact OD2-NE 3.48Å; D443-R447 PolarHBondContact OD2-NE 3.44Å; D443-R447 IonicContact OD2-NH1 3.23Å; D443-R447 IonicContact OD2-NH2 2.66Å; D443-R447 PolarHBondContact OD2-NH2 2.71Å; I444-R447 PolarHBondContact O-N 2.67Å; I445-R447 VanDerWaalsContact C-N 3.35Å; I445-R447 PolarHBondContact O-N 3.11Å; R447-L449 VanDerWaalsContact C-N 3.31Å; R447-L449 PolarHBondContact O-N 3.35Å; R447-H450 PolarHBondContact O-N 3.45Å; R447-N451 WeakPolarHBondContact O-CB 3.39Å; R447-N451 VanDerWaalsContact O-CG 3.31Å; R447-N451 PolarHBondContact O-N 3.49Å
448L85.1Confident74.6Confident54 Ų5472.7 Ų72.728%0.28337%0.365SS..Hα-helixtrans-64.8-36.5178.4-71.8176.1000112.1I444 I445 N452 A480 C483I444-L448 HydrophobicContact CG2-CD1 3.71Å; I444-L448 HydrophobicContact CG2-CG 4.31Å; I444-L448 WeakPolarHBondContact O-CB 3.21Å; I444-L448 VanDerWaalsContact O-CG 3.28Å; I444-L448 WeakPolarHBondContact O-CG 3.33Å; I444-L448 PolarHBondContact O-N 2.87Å; I445-L448 PolarHBondContact O-N 3.48Å; L448-N452 PolarHBondContact O-ND2 3.16Å; L448-A480 HydrophobicContact CD1-CB 3.8Å; L448-C483 HydrophobicContact CB-CB 4.46Å; L448-C483 HydrophobicContact CD1-CB 4.02Å
449L80.6Confident73Confident17 Ų1774.9 Ų74.99%0.08938%0.383CS..Hα-helixtrans-74.8-41.4177.2-69.4179.8000112.1I445 S446 R447 N451 N452 V455 L458 I508 F513I445-L449 HydrophobicContact CG2-CD1 3.67Å; I445-L449 HydrophobicContact CG2-CG 4.21Å; I445-L449 WeakPolarHBondContact O-CB 3.5Å; I445-L449 VanDerWaalsContact O-CG 3.25Å; I445-L449 WeakPolarHBondContact O-CG 3.4Å; I445-L449 PolarHBondContact O-N 3.29Å; S446-L449 PolarHBondContact O-N 3.07Å; R447-L449 VanDerWaalsContact C-N 3.31Å; R447-L449 PolarHBondContact O-N 3.35Å; L449-N451 PolarHBondContact O-N 3.02Å; L449-N452 PolarHBondContact O-N 2.99Å; L449-V455 HydrophobicContact CB-CG2 3.97Å; L449-V455 HydrophobicContact CD1-CG2 4.26Å; L449-V455 HydrophobicContact CD2-CG2 3.77Å; L449-V455 HydrophobicContact CG-CG2 4.2Å; L449-L458 HydrophobicContact CD1-CD1 3.79Å; L449-I508 HydrophobicContact CD2-CD1 4.05Å; L449-F513 HydrophobicContact CD1-CE2 4.29Å; L449-F513 HydrophobicContact CD1-CZ 4.06Å; L449-F513 HydrophobicContact CD2-CE2 4.36Å; L449-F513 HydrophobicContact CD2-CZ 4.02Å; L449-F513 HydrophobicContact CG-CZ 4.43Å
450H78.2Confident71.5Confident139 Ų13971.8 Ų71.864%0.64437%0.37SS*.Hα-helixtrans-64.9-39.3-179.8-169.8-78.9000112.2S446 R447 N452S446-H450 VanDerWaalsContact O-CB 3.27Å; S446-H450 WeakPolarHBondContact O-CB 3.45Å; S446-H450 PolarHBondContact O-N 3.01Å; R447-H450 PolarHBondContact O-N 3.45Å; H450-N452 PolarHBondContact O-N 3.12Å
451N69.1Low69.8Low115 Ų11572.8 Ų72.862%0.61537%0.374SS*.Hα-helixtrans-68.4-19.8-179.8-74.3-10.6000113.8R447 L449R447-N451 WeakPolarHBondContact O-CB 3.39Å; R447-N451 VanDerWaalsContact O-CG 3.31Å; R447-N451 PolarHBondContact O-N 3.49Å; L449-N451 PolarHBondContact O-N 3.02Å
452N64.4Low67.8Low103 Ų10372.8 Ų72.855%0.55138%0.38SS*.THydrogen-bonded Turntrans-101.61.1-174.6-71-44.8000114L448 L449 H450 M454L448-N452 PolarHBondContact O-ND2 3.16Å; L449-N452 PolarHBondContact O-N 2.99Å; H450-N452 PolarHBondContact O-N 3.12Å; N452-M454 VanDerWaalsContact O-CG 3.26Å; N452-M454 WeakPolarHBondContact O-CG 3.38Å; N452-M454 PolarHBondContact O-N 3.06Å
453A57.6Low66.1Low91 Ų9179.5 Ų79.575%0.75242%0.415SS*.  trans54.57.1178.100000116.6V455A453-V455 VanDerWaalsContact C-N 3.35Å; A453-V455 PolarHBondContact O-N 2.99Å
454M57.9Low64.2Low89 Ų8979.2 Ų79.244%0.43842%0.416SS..  trans-91.518-173-66.8-52.6157.900114.5N452 I508N452-M454 VanDerWaalsContact O-CG 3.26Å; N452-M454 WeakPolarHBondContact O-CG 3.38Å; N452-M454 PolarHBondContact O-N 3.06Å; M454-I508 HydrophobicContact CB-CD1 4.1Å; M454-I508 HydrophobicContact CB-CG1 4.31Å; M454-I508 PolarHBondContact O-N 2.98Å
455V58Low62.2Low41 Ų4182.4 Ų82.425%0.24844%0.439CS..  trans-135.9110.9-174.4-178.50000111.6L449 A453 L458 I508L449-V455 HydrophobicContact CB-CG2 3.97Å; L449-V455 HydrophobicContact CD1-CG2 4.26Å; L449-V455 HydrophobicContact CD2-CG2 3.77Å; L449-V455 HydrophobicContact CG-CG2 4.2Å; A453-V455 VanDerWaalsContact C-N 3.35Å; A453-V455 PolarHBondContact O-N 2.99Å; V455-L458 HydrophobicContact CB-CD1 4.4Å; V455-L458 HydrophobicContact CG1-CB 3.65Å; V455-L458 HydrophobicContact CG1-CD1 3.63Å; V455-L458 HydrophobicContact CG1-CG 3.58Å; V455-L458 VanDerWaalsContact CG1-N 3.31Å; V455-L458 HydrophobicContact CG2-CD1 3.8Å; V455-I508 HydrophobicContact CG2-CB 4.44Å; V455-I508 HydrophobicContact CG2-CD1 4.42Å
456R50.8Low60.2Low227 Ų22788 Ų8886%0.85747%0.468SS*.SBendtrans-89105.1157.5-70.2-174.9177.8-179.21.3107.4
457H50.8Low58.8Low185 Ų18586.1 Ų86.186%0.85646%0.455SS*.  trans46.869.1171.3-62.8-76.9000115.6P459H457-P459 WeakPolarHBondContact O-CD 3.43Å
458L54.3Low57.5Low28 Ų2885.3 Ų85.315%0.14746%0.456CS..  trans-73.2122.6155.8-82.6163.9000107.4L449 V455 I460 I508 F513L449-L458 HydrophobicContact CD1-CD1 3.79Å; V455-L458 HydrophobicContact CB-CD1 4.4Å; V455-L458 HydrophobicContact CG1-CB 3.65Å; V455-L458 HydrophobicContact CG1-CD1 3.63Å; V455-L458 HydrophobicContact CG1-CG 3.58Å; V455-L458 VanDerWaalsContact CG1-N 3.31Å; V455-L458 HydrophobicContact CG2-CD1 3.8Å; L458-I460 VanDerWaalsContact C-N 3.28Å; L458-I460 PolarHBondContact O-N 3.43Å; L458-I508 HydrophobicContact CD1-CB 4.39Å; L458-I508 HydrophobicContact CD1-CG2 4.4Å; L458-F513 HydrophobicContact CD1-CD2 4.47Å; L458-F513 HydrophobicContact CD1-CE2 3.85Å
459P51.5Low56.4Low105 Ų10589.9 Ų89.968%0.68248%0.476SS*.  trans-59.9102.2161.924.6-29.2000106.1H457 F461H457-P459 WeakPolarHBondContact O-CD 3.43Å; P459-F461 PolarHBondContact O-N 3.33Å
460I52.8Low55.9Low72 Ų7292.4 Ų92.437%0.36949%0.492SS..  trans-54.3127.9-176.3-59.9166.7000106.2A442 L458 A462A442-I460 HydrophobicContact CB-CG2 4.48Å; L458-I460 VanDerWaalsContact C-N 3.28Å; L458-I460 PolarHBondContact O-N 3.43Å; I460-A462 HydrophobicContact CG2-CB 4.07Å; I460-A462 PolarHBondContact O-N 2.99Å
461F53.7Low55.9Low25 Ų2586 Ų8611%0.1146%0.462CS..G310 helixtrans-50-3.8179.2-77.4-77.8000115.5P459 N463 C464 A467 E510 F513P459-F461 PolarHBondContact O-N 3.33Å; F461-N463 PolarHBondContact O-N 3.19Å; F461-C464 HydrophobicContact CD1-CB 4.4Å; F461-C464 PolarHBondContact O-N 2.9Å; F461-C464 VanDerWaalsContact O-N 3.12Å; F461-A467 HydrophobicContact CB-CB 3.74Å; F461-A467 HydrophobicContact CD1-CB 3.65Å; F461-A467 HydrophobicContact CG-CB 4.08Å; F461-E510 HydrophobicContact CE1-CG 3.75Å; F461-E510 HydrophobicContact CE2-CG 4.34Å; F461-E510 HydrophobicContact CZ-CG 3.45Å; F461-E510 VanDerWaalsContact CZ-CG 3.45Å; F461-F513 HydrophobicContact CE2-CB 3.61Å; F461-F513 HydrophobicContact CE2-CD1 4.09Å; F461-F513 AromaticContact CE2-CD2 3.99Å; F461-F513 HydrophobicContact CE2-CD2 3.99Å; F461-F513 AromaticContact CE2-CG 3.63Å; F461-F513 HydrophobicContact CE2-CG 3.63Å; F461-F513 HydrophobicContact CZ-CB 3.68Å; F461-F513 HydrophobicContact CZ-CG 4.23Å
462A48.3Very low56.5Low30 Ų3085.2 Ų85.225%0.24846%0.457CS..G310 helixtrans-46.6-34.2175.500000113.6A442 I460A442-A462 HydrophobicContact CB-CB 3.82Å; I460-A462 HydrophobicContact CG2-CB 4.07Å; I460-A462 PolarHBondContact O-N 2.99Å
463N47.9Very low57.5Low152 Ų15280.6 Ų80.681%0.81343%0.433SS*.G310 helixtrans-109.15.4-176.8-66.9-17.7000114.7F461 P465F461-N463 PolarHBondContact O-N 3.19Å; N463-P465 WeakPolarHBondContact O-CD 3.28Å
464C46.8Very low59.1Low42 Ų4276.8 Ų76.828%0.28440%0.4SS..  trans-92.7114.8179.4-173.80000110.4F461 L466 A467 N468F461-C464 HydrophobicContact CD1-CB 4.4Å; F461-C464 PolarHBondContact O-N 2.9Å; F461-C464 VanDerWaalsContact O-N 3.12Å; C464-L466 PolarHBondContact O-N 3.39Å; C464-L466 VanDerWaalsContact O-N 3.12Å; C464-A467 HydrophobicContact CB-CB 4.14Å; C464-A467 VanDerWaalsContact O-CB 3.31Å; C464-A467 WeakPolarHBondContact O-CB 3.5Å; C464-A467 PolarHBondContact O-N 3.05Å; C464-N468 PolarHBondContact O-N 3.4Å; C464-N468 PolarHBondContact O-OD1 3.15Å
465P45.2Very low60.8Low97 Ų9772.7 Ų72.763%0.6338%0.38SS*.Hα-helixtrans-56.6-31178.1-22.832.6000112.9N463 N468N463-P465 WeakPolarHBondContact O-CD 3.28Å; P465-N468 WeakPolarHBondContact O-CB 2.99Å; P465-N468 PolarHBondContact O-N 3.43Å
466L42.8Very low62.4Low120 Ų12071.5 Ų71.563%0.62838%0.376SS*.Hα-helixtrans-67.1-34.9176.7-119.277.9000112.3C464 N468 V470C464-L466 PolarHBondContact O-N 3.39Å; C464-L466 VanDerWaalsContact O-N 3.12Å; L466-N468 VanDerWaalsContact C-N 3.3Å; L466-N468 PolarHBondContact O-N 2.98Å; L466-V470 WeakPolarHBondContact O-CG2 3.31Å; L466-V470 PolarHBondContact O-N 3.22Å
467A54.3Low64.4Low5 Ų563 Ų634%0.04135%0.354CS..Hα-helixtrans-62.9-43.3174.600000110.2F461 C464 Q469 V470 W471F461-A467 HydrophobicContact CB-CB 3.74Å; F461-A467 HydrophobicContact CD1-CB 3.65Å; F461-A467 HydrophobicContact CG-CB 4.08Å; C464-A467 HydrophobicContact CB-CB 4.14Å; C464-A467 VanDerWaalsContact O-CB 3.31Å; C464-A467 WeakPolarHBondContact O-CB 3.5Å; C464-A467 PolarHBondContact O-N 3.05Å; A467-Q469 PolarHBondContact O-N 3.31Å; A467-Q469 VanDerWaalsContact O-N 3.11Å; A467-V470 PolarHBondContact O-N 3Å; A467-W471 PolarHBondContact O-N 2.7Å; A467-W471 VanDerWaalsContact O-N 3.1Å
468N57.9Low66.4Low55 Ų5554.6 Ų54.629%0.29432%0.315SS..Hα-helixtrans-56-36.9-173.8-62-9.3000113.2L438 C464 P465 L466 I472L438-N468 HydrophobicContact CD1-CB 4.46Å; L438-N468 WeakPolarHBondContact CD1-OD1 3.3Å; L438-N468 VanDerWaalsContact CD2-OD1 3.24Å; L438-N468 WeakPolarHBondContact CD2-OD1 3.19Å; C464-N468 PolarHBondContact O-N 3.4Å; C464-N468 PolarHBondContact O-OD1 3.15Å; P465-N468 WeakPolarHBondContact O-CB 2.99Å; P465-N468 PolarHBondContact O-N 3.43Å; L466-N468 VanDerWaalsContact C-N 3.3Å; L466-N468 PolarHBondContact O-N 2.98Å; N468-I472 WeakPolarHBondContact O-CG1 3.27Å
469Q62.1Low68.2Low149 Ų14953.2 Ų53.270%0.69631%0.308SS*.Hα-helixtrans-80.2-35.8178-68.1-177.4-11.500112.9A467 W471 I472A467-Q469 PolarHBondContact O-N 3.31Å; A467-Q469 VanDerWaalsContact O-N 3.11Å; Q469-W471 VanDerWaalsContact C-N 3.35Å; Q469-W471 PolarHBondContact O-N 3.11Å; Q469-I472 WeakPolarHBondContact O-CG1 3.48Å
470V70.5Confident70Confident70 Ų7049.3 Ų49.342%0.42429%0.285SS..Hα-helixtrans-73.1-29.2-175.3-179.20000112.1L466 A467 Y474 L517L466-V470 WeakPolarHBondContact O-CG2 3.31Å; L466-V470 PolarHBondContact O-N 3.22Å; A467-V470 PolarHBondContact O-N 3Å; V470-Y474 WeakPolarHBondContact O-CE2 3.38Å; V470-L517 HydrophobicContact CG1-CB 4.23Å; V470-L517 HydrophobicContact CG1-CD1 3.75Å; V470-L517 HydrophobicContact CG1-CD2 4.09Å; V470-L517 HydrophobicContact CG1-CG 4.23Å
471W78Confident71.9Confident5 Ų549.5 Ų49.52%0.01928%0.284CS..THydrogen-bonded Turntrans-896.9-179.2-62.4107.6000114.6I445 A467 Q469 G473 Y474 V479 V482 F513 L517I445-W471 HydrophobicContact CD1-CH2 4.05Å; I445-W471 HydrophobicContact CD1-CZ2 3.87Å; A467-W471 PolarHBondContact O-N 2.7Å; A467-W471 VanDerWaalsContact O-N 3.1Å; Q469-W471 VanDerWaalsContact C-N 3.35Å; Q469-W471 PolarHBondContact O-N 3.11Å; W471-G473 PolarHBondContact O-N 3.19Å; W471-Y474 AromaticContact CE3-CD1 3.98Å; W471-Y474 HydrophobicContact CE3-CD1 3.98Å; W471-Y474 HydrophobicContact CE3-CE1 4.49Å; W471-Y474 HydrophobicContact CE3-CG 4.05Å; W471-Y474 HydrophobicContact CZ3-CD1 4.24Å; W471-Y474 PolarHBondContact O-N 2.84Å; W471-V479 HydrophobicContact CE3-CG2 4.08Å; W471-V479 HydrophobicContact CZ3-CB 4.36Å; W471-V479 HydrophobicContact CZ3-CG1 4.24Å; W471-V479 HydrophobicContact CZ3-CG2 4.04Å; W471-V482 HydrophobicContact CH2-CB 3.72Å; W471-V482 HydrophobicContact CH2-CG1 3.35Å; W471-V482 HydrophobicContact CH2-CG2 4.19Å; W471-V482 HydrophobicContact CZ2-CG1 4.24Å; W471-V482 HydrophobicContact CZ3-CB 3.75Å; W471-V482 HydrophobicContact CZ3-CG1 3.84Å; W471-V482 HydrophobicContact CZ3-CG2 3.79Å; W471-F513 HydrophobicContact CH2-CD1 4.46Å; W471-F513 HydrophobicContact CZ2-CD1 4.35Å; W471-L517 HydrophobicContact CD2-CD2 4.09Å; W471-L517 HydrophobicContact CE3-CD2 3.96Å; W471-L517 HydrophobicContact CH2-CD2 3.94Å; W471-L517 HydrophobicContact CZ2-CD1 4.03Å; W471-L517 HydrophobicContact CZ2-CD2 4.01Å; W471-L517 HydrophobicContact CZ2-CG 4.36Å; W471-L517 HydrophobicContact CZ3-CD2 3.89Å
472I80.9Confident73.7Confident98 Ų9848.3 Ų48.350%0.50328%0.279SS..THydrogen-bonded Turntrans-61.3129.7179.8-63.7173.3000109.3N468 Q469 Y474 L526N468-I472 WeakPolarHBondContact O-CG1 3.27Å; Q469-I472 WeakPolarHBondContact O-CG1 3.48Å; I472-Y474 PolarHBondContact O-N 2.88Å; I472-L526 HydrophobicContact CG2-CD1 4.06Å; I472-L526 HydrophobicContact CG2-CD2 4.32Å
473G85.5Confident75.7Confident6 Ų647.3 Ų47.36%0.06227%0.27CS..THydrogen-bonded Turntrans84.8-5.4178.700000115.9W471 S475 S522W471-G473 PolarHBondContact O-N 3.19Å; G473-S475 PolarHBondContact O-N 3.47Å; G473-S522 PolarHBondContact O-OG 3.18Å
474Y90.7Very high77.7Confident12 Ų1243.6 Ų43.65%0.04725%0.245CC..  trans-73.4128.7179.9-78.2-113.7000111.2P436 V470 W471 I472 D478 V482 L517 I520P436-Y474 WeakPolarHBondContact CD-O 3.37Å; V470-Y474 WeakPolarHBondContact O-CE2 3.38Å; W471-Y474 AromaticContact CE3-CD1 3.98Å; W471-Y474 HydrophobicContact CE3-CD1 3.98Å; W471-Y474 HydrophobicContact CE3-CE1 4.49Å; W471-Y474 HydrophobicContact CE3-CG 4.05Å; W471-Y474 HydrophobicContact CZ3-CD1 4.24Å; W471-Y474 PolarHBondContact O-N 2.84Å; I472-Y474 PolarHBondContact O-N 2.88Å; Y474-D478 HydrophobicContact CD1-CB 3.56Å; Y474-D478 HydrophobicContact CE1-CB 4.36Å; Y474-D478 HydrophobicContact CG-CB 4.18Å; Y474-V482 HydrophobicContact CD1-CG2 4.09Å; Y474-V482 HydrophobicContact CE1-CG2 3.66Å; Y474-L517 HydrophobicContact CE1-CD2 4.25Å; Y474-I520 HydrophobicContact CE1-CG2 4.49Å; Y474-I520 PolarHBondContact OH-O 2.66Å
475S93.4Very high79.9Confident2 Ų242.6 Ų42.61%0.01424%0.236CC..  trans-75.1169.2169.971.50000111.6P311 G473 A477 D478 V479P311-S475 WeakPolarHBondContact O-CB 3.33Å; G473-S475 PolarHBondContact O-N 3.47Å; S475-A477 PolarHBondContact O-N 3.32Å; S475-D478 VanDerWaalsContact CB-OD2 3.31Å; S475-D478 WeakPolarHBondContact CB-OD2 3.31Å; S475-D478 PolarHBondContact N-OD2 3.17Å; S475-D478 PolarHBondContact O-N 3.37Å; S475-D478 VanDerWaalsContact O-N 3.16Å; S475-D478 PolarHBondContact OG-N 3.41Å; S475-D478 VanDerWaalsContact OG-N 3.16Å; S475-D478 PolarHBondContact OG-OD2 3.45Å; S475-V479 WeakPolarHBondContact O-CG2 3.29Å; S475-V479 PolarHBondContact O-N 2.93Å
476G92.2Very high81.9Confident17 Ų1738 Ų3818%0.17521%0.206CC..Hα-helixtrans-60.5-35.817500000112.5G312 A480G312-G476 WeakPolarHBondContact O-CA 3.42Å; G312-G476 PolarHBondContact O-N 3.27Å; G476-A480 PolarHBondContact O-N 3.46Å
477A92.9Very high84.1Confident48 Ų4834 Ų3440%0.39719%0.191SC..Hα-helixtrans-66.2-42.3173.300000112.3G312 S475 V479 A480 E481G312-A477 PolarHBondContact O-N 3.44Å; S475-A477 PolarHBondContact O-N 3.32Å; A477-V479 VanDerWaalsContact C-N 3.34Å; A477-V479 PolarHBondContact O-N 3.29Å; A477-A480 PolarHBondContact O-N 2.97Å; A477-E481 PolarHBondContact O-N 3.35Å
478D93.4Very high85.8Confident8 Ų837 Ų374%0.04321%0.206CC..Hα-helixtrans-64.5-40.3177.3-57.6-47.9000111.2Y474 S475 A480 E481 V482 T523Y474-D478 HydrophobicContact CD1-CB 3.56Å; Y474-D478 HydrophobicContact CE1-CB 4.36Å; Y474-D478 HydrophobicContact CG-CB 4.18Å; S475-D478 VanDerWaalsContact CB-OD2 3.31Å; S475-D478 WeakPolarHBondContact CB-OD2 3.31Å; S475-D478 PolarHBondContact N-OD2 3.17Å; S475-D478 PolarHBondContact O-N 3.37Å; S475-D478 VanDerWaalsContact O-N 3.16Å; S475-D478 PolarHBondContact OG-N 3.41Å; S475-D478 VanDerWaalsContact OG-N 3.16Å; S475-D478 PolarHBondContact OG-OD2 3.45Å; D478-A480 VanDerWaalsContact C-N 3.33Å; D478-A480 PolarHBondContact O-N 2.95Å; D478-E481 WeakPolarHBondContact O-CB 3.5Å; D478-E481 PolarHBondContact O-N 2.66Å; D478-V482 WeakPolarHBondContact O-CG2 3.41Å; D478-V482 PolarHBondContact O-N 3.29Å; D478-T523 VanDerWaalsContact OD1-CB 3.28Å; D478-T523 WeakPolarHBondContact OD1-CB 3.26Å; D478-T523 PolarHBondContact OD1-N 3.42Å; D478-T523 PolarHBondContact OD1-OG1 3.46Å; D478-T523 PolarHBondContact OD2-N 2.65Å
479V91Very high87.3Confident0 Ų035.4 Ų35.40%020%0.196CC..Hα-helixtrans-61.5-43.7175.11760000110.9R441 I444 I445 W471 S475 A477 E481 V482 C483R441-V479 HydrophobicContact CG-CG2 4.13Å; I444-V479 HydrophobicContact CB-CG1 4.25Å; I444-V479 HydrophobicContact CG2-CB 4.28Å; I444-V479 HydrophobicContact CG2-CG1 3.73Å; I445-V479 HydrophobicContact CD1-CG1 4.16Å; I445-V479 HydrophobicContact CG1-CG1 3.55Å; W471-V479 HydrophobicContact CE3-CG2 4.08Å; W471-V479 HydrophobicContact CZ3-CB 4.36Å; W471-V479 HydrophobicContact CZ3-CG1 4.24Å; W471-V479 HydrophobicContact CZ3-CG2 4.04Å; S475-V479 WeakPolarHBondContact O-CG2 3.29Å; S475-V479 PolarHBondContact O-N 2.93Å; A477-V479 VanDerWaalsContact C-N 3.34Å; A477-V479 PolarHBondContact O-N 3.29Å; V479-E481 VanDerWaalsContact C-N 3.3Å; V479-E481 PolarHBondContact O-N 2.64Å; V479-V482 PolarHBondContact O-N 3.21Å; V479-C483 PolarHBondContact O-N 3.48Å; V479-C483 PolarHBondContact O-SG 2.93Å; V479-C483 VanDerWaalsContact O-SG 3.41Å
480A90.8Very high88.5Confident23 Ų2328.5 Ų28.519%0.1916%0.164CC..Hα-helixtrans-63.1-37175.600000112.5L448 G476 A477 D478 C483 R484L448-A480 HydrophobicContact CD1-CB 3.8Å; G476-A480 PolarHBondContact O-N 3.46Å; A477-A480 PolarHBondContact O-N 2.97Å; D478-A480 VanDerWaalsContact C-N 3.33Å; D478-A480 PolarHBondContact O-N 2.95Å; A480-C483 PolarHBondContact O-N 3.25Å; A480-R484 PolarHBondContact O-N 3.31Å
481E92.8Very high89.4Confident76 Ų7628.3 Ų28.336%0.35516%0.16SC..Hα-helixtrans-63.1-46.2173.5-167.865.4-125.100111.9A477 D478 V479 C483 R484 E485 I520A477-E481 PolarHBondContact O-N 3.35Å; D478-E481 WeakPolarHBondContact O-CB 3.5Å; D478-E481 PolarHBondContact O-N 2.66Å; V479-E481 VanDerWaalsContact C-N 3.3Å; V479-E481 PolarHBondContact O-N 2.64Å; E481-C483 VanDerWaalsContact C-N 3.33Å; E481-C483 PolarHBondContact O-N 2.8Å; E481-R484 PolarHBondContact O-N 3.03Å; E481-R484 IonicContact OE1-NH1 3.87Å; E481-R484 PolarHBondContact OE1-NH1 3.41Å; E481-R484 IonicContact OE2-CZ 3.55Å; E481-R484 IonicContact OE2-NH1 2.81Å; E481-R484 PolarHBondContact OE2-NH1 3.43Å; E481-E485 WeakPolarHBondContact O-CB 3.31Å; E481-E485 PolarHBondContact O-N 2.91Å; E481-I520 HydrophobicContact CB-CG2 4.19Å; E481-I520 HydrophobicContact CG-CD1 3.83Å; E481-I520 HydrophobicContact CG-CG1 4.12Å; E481-I520 HydrophobicContact CG-CG2 3.95Å
482V90.9Very high90Very high0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-61.1-43176.3177.90000110.9W471 Y474 D478 V479 R484 E485 A486 F513 A516 L517 I520W471-V482 HydrophobicContact CH2-CB 3.72Å; W471-V482 HydrophobicContact CH2-CG1 3.35Å; W471-V482 HydrophobicContact CH2-CG2 4.19Å; W471-V482 HydrophobicContact CZ2-CG1 4.24Å; W471-V482 HydrophobicContact CZ3-CB 3.75Å; W471-V482 HydrophobicContact CZ3-CG1 3.84Å; W471-V482 HydrophobicContact CZ3-CG2 3.79Å; Y474-V482 HydrophobicContact CD1-CG2 4.09Å; Y474-V482 HydrophobicContact CE1-CG2 3.66Å; D478-V482 WeakPolarHBondContact O-CG2 3.41Å; D478-V482 PolarHBondContact O-N 3.29Å; V479-V482 PolarHBondContact O-N 3.21Å; V482-R484 VanDerWaalsContact C-N 3.35Å; V482-R484 PolarHBondContact O-N 3.44Å; V482-E485 PolarHBondContact O-N 2.91Å; V482-A486 VanDerWaalsContact O-CB 3.25Å; V482-A486 WeakPolarHBondContact O-CB 3.28Å; V482-A486 PolarHBondContact O-N 2.94Å; V482-F513 HydrophobicContact CG1-CD1 4.14Å; V482-A516 HydrophobicContact CG1-CB 3.94Å; V482-L517 HydrophobicContact CG1-CD2 3.9Å; V482-L517 HydrophobicContact CG1-CG 3.98Å; V482-L517 HydrophobicContact CG2-CD2 4.02Å; V482-I520 HydrophobicContact CG2-CB 3.85Å; V482-I520 HydrophobicContact CG2-CG1 4.48Å; V482-I520 HydrophobicContact CG2-CG2 3.78Å
483C89.1Confident90.2Very high8 Ų835 Ų355%0.05418%0.182CC..Hα-helixtrans-61.2-41.9176.2-72.80000112.3L448 V479 A480 E481 A486 A487L448-C483 HydrophobicContact CB-CB 4.46Å; L448-C483 HydrophobicContact CD1-CB 4.02Å; V479-C483 PolarHBondContact O-N 3.48Å; V479-C483 PolarHBondContact O-SG 2.93Å; V479-C483 VanDerWaalsContact O-SG 3.41Å; A480-C483 PolarHBondContact O-N 3.25Å; E481-C483 VanDerWaalsContact C-N 3.33Å; E481-C483 PolarHBondContact O-N 2.8Å; C483-A486 PolarHBondContact O-N 3.33Å; C483-A487 WeakPolarHBondContact O-CB 3.48Å; C483-A487 PolarHBondContact O-N 3.04Å
484R91Very high90.4Very high75 Ų7536.3 Ų36.328%0.28319%0.188SC..Hα-helixtrans-65.7-44.8176.8-170-172.9-49.893.315.9111.5Y186 A480 E481 V482 A486 A487 L488Y186-R484 VanDerWaalsContact OH-CZ 3.24Å; Y186-R484 PolarHBondContact OH-NE 2.75Å; Y186-R484 PolarHBondContact OH-NH2 2.97Å; A480-R484 PolarHBondContact O-N 3.31Å; E481-R484 PolarHBondContact O-N 3.03Å; E481-R484 IonicContact OE1-NH1 3.87Å; E481-R484 PolarHBondContact OE1-NH1 3.41Å; E481-R484 IonicContact OE2-CZ 3.55Å; E481-R484 IonicContact OE2-NH1 2.81Å; E481-R484 PolarHBondContact OE2-NH1 3.43Å; V482-R484 VanDerWaalsContact C-N 3.35Å; V482-R484 PolarHBondContact O-N 3.44Å; R484-A486 VanDerWaalsContact C-N 3.33Å; R484-A486 PolarHBondContact O-N 3.46Å; R484-A487 WeakPolarHBondContact O-CB 3.34Å; R484-A487 PolarHBondContact O-N 2.8Å; R484-L488 WeakPolarHBondContact O-CG 3.24Å; R484-L488 PolarHBondContact O-N 3.05Å
485E91.9Very high90Very high20 Ų2040.9 Ų40.99%0.09323%0.228CC..Hα-helixtrans-64.1-40178.3-177.465-172.900111E481 V482 A487 L488 F489 R492 A516 R519 I520E481-E485 WeakPolarHBondContact O-CB 3.31Å; E481-E485 PolarHBondContact O-N 2.91Å; V482-E485 PolarHBondContact O-N 2.91Å; E485-A487 VanDerWaalsContact C-N 3.35Å; E485-A487 PolarHBondContact O-N 3.48Å; E485-L488 PolarHBondContact O-N 2.99Å; E485-F489 HydrophobicContact CG-CE2 4.05Å; E485-F489 WeakPolarHBondContact O-CD2 3.48Å; E485-R492 IonicContact OE1-CZ 2.75Å; E485-R492 VanDerWaalsContact OE1-CZ 3.23Å; E485-R492 IonicContact OE1-NH1 3.29Å; E485-R492 PolarHBondContact OE1-NH1 2.98Å; E485-R492 IonicContact OE1-NH2 2.65Å; E485-R492 PolarHBondContact OE1-NH2 3.4Å; E485-R492 IonicContact OE2-CZ 3.84Å; E485-R492 IonicContact OE2-NH1 2.94Å; E485-R492 PolarHBondContact OE2-NH1 2.98Å; E485-R492 IonicContact OE2-NH2 2.8Å; E485-R492 PolarHBondContact OE2-NH2 2.68Å; E485-A516 HydrophobicContact CB-CB 4.02Å; E485-A516 HydrophobicContact CG-CB 3.86Å; E485-R519 WeakPolarHBondContact OE1-CD 3.5Å; E485-R519 IonicContact OE1-CZ 2.91Å; E485-R519 IonicContact OE1-NE 3.99Å; E485-R519 IonicContact OE1-NH1 3.52Å; E485-R519 PolarHBondContact OE1-NH1 2.78Å; E485-I520 HydrophobicContact CB-CD1 4.42Å; E485-I520 HydrophobicContact CB-CG1 3.97Å; E485-I520 HydrophobicContact CG-CD1 4.33Å; E485-I520 HydrophobicContact CG-CG1 3.99Å
486A88.4Confident89.5Confident0 Ų047.4 Ų47.40%026%0.258CS..Hα-helixtrans-60.6-41.5172.700000112V482 C483 R484 L488 F489 P490 I508 F513 A516V482-A486 VanDerWaalsContact O-CB 3.25Å; V482-A486 WeakPolarHBondContact O-CB 3.28Å; V482-A486 PolarHBondContact O-N 2.94Å; C483-A486 PolarHBondContact O-N 3.33Å; R484-A486 VanDerWaalsContact C-N 3.33Å; R484-A486 PolarHBondContact O-N 3.46Å; A486-L488 PolarHBondContact O-N 3.42Å; A486-F489 PolarHBondContact O-N 2.91Å; A486-P490 WeakPolarHBondContact O-CD 3.42Å; A486-I508 HydrophobicContact CB-CG2 4.24Å; A486-F513 HydrophobicContact CB-CD1 3.89Å; A486-F513 HydrophobicContact CB-CD2 3.97Å; A486-F513 HydrophobicContact CB-CE1 3.91Å; A486-F513 HydrophobicContact CB-CE2 4Å; A486-F513 HydrophobicContact CB-CG 3.92Å; A486-F513 HydrophobicContact CB-CZ 3.97Å; A486-A516 HydrophobicContact CB-CB 4Å
487A88.3Confident89.1Confident38 Ų3850 Ų5031%0.31427%0.271SS..Hα-helixtrans-65.1-24.1177.500000113.8C483 R484 E485 I508C483-A487 WeakPolarHBondContact O-CB 3.48Å; C483-A487 PolarHBondContact O-N 3.04Å; R484-A487 WeakPolarHBondContact O-CB 3.34Å; R484-A487 PolarHBondContact O-N 2.8Å; E485-A487 VanDerWaalsContact C-N 3.35Å; E485-A487 PolarHBondContact O-N 3.48Å; A487-I508 HydrophobicContact CB-CD1 3.66Å; A487-I508 HydrophobicContact CB-CG1 4.5Å
488L90.3Very high88.8Confident68 Ų6857.5 Ų57.536%0.35630%0.297SS..Hα-helixtrans-82.7-18.5177.1-67.4174.5000113.5R484 E485 A486 I491 R492R484-L488 WeakPolarHBondContact O-CG 3.24Å; R484-L488 PolarHBondContact O-N 3.05Å; E485-L488 PolarHBondContact O-N 2.99Å; A486-L488 PolarHBondContact O-N 3.42Å; L488-I491 HydrophobicContact CD2-CD1 4.37Å; L488-I491 PolarHBondContact O-N 3.44Å; L488-R492 VanDerWaalsContact O-CG 3.3Å; L488-R492 WeakPolarHBondContact O-CG 3.31Å; L488-R492 PolarHBondContact O-N 3.12Å
489F89.3Confident88.4Confident21 Ų2161 Ų619%0.09232%0.322CS..Hα-helixtrans-64-42-177.4-87.5-82.4000114.6E485 A486 I491 R492 K493 D512 S515 A516E485-F489 HydrophobicContact CG-CE2 4.05Å; E485-F489 WeakPolarHBondContact O-CD2 3.48Å; A486-F489 PolarHBondContact O-N 2.91Å; F489-I491 VanDerWaalsContact C-N 3.25Å; F489-I491 PolarHBondContact O-N 3.31Å; F489-R492 PolarHBondContact O-N 3.4Å; F489-K493 WeakPolarHBondContact O-CG 3.44Å; F489-K493 PolarHBondContact O-N 3.02Å; F489-D512 HydrophobicContact CB-CB 3.71Å; F489-D512 VanDerWaalsContact CB-OD1 3.31Å; F489-D512 WeakPolarHBondContact CB-OD1 3.27Å; F489-D512 HydrophobicContact CD2-CB 4.42Å; F489-D512 HydrophobicContact CG-CB 4.25Å; F489-S515 VanDerWaalsContact CZ-C 3.5Å; F489-A516 HydrophobicContact CD2-CB 4.38Å; F489-A516 HydrophobicContact CE2-CB 3.88Å
490P87.6Confident88.1Confident3 Ų363 Ų632%0.01933%0.333CS..Hα-helixtrans-55.8-42.1173-28.136000112.5A486 R492 K493 V505 P506 I508A486-P490 WeakPolarHBondContact O-CD 3.42Å; P490-R492 PolarHBondContact O-N 3.35Å; P490-K493 PolarHBondContact O-N 3.35Å; P490-V505 HydrophobicContact CB-CG1 4.5Å; P490-P506 HydrophobicContact CB-CB 4.3Å; P490-P506 VanDerWaalsContact CB-O 3.23Å; P490-P506 WeakPolarHBondContact CB-O 3.32Å; P490-I508 HydrophobicContact CG-CG1 4.33Å
491I89.3Confident87.8Confident66 Ų6666.9 Ų66.934%0.33835%0.35SS..Hα-helixtrans-64-42178-58.1175.8000111L488 F489 K493 I494 V497 V505L488-I491 HydrophobicContact CD2-CD1 4.37Å; L488-I491 PolarHBondContact O-N 3.44Å; F489-I491 VanDerWaalsContact C-N 3.25Å; F489-I491 PolarHBondContact O-N 3.31Å; I491-K493 PolarHBondContact O-N 3.34Å; I491-I494 PolarHBondContact O-N 3.08Å; I491-I494 VanDerWaalsContact O-N 3.12Å; I491-V497 HydrophobicContact CG2-CG1 3.97Å; I491-V497 HydrophobicContact CG2-CG2 4Å; I491-V505 HydrophobicContact CG1-CG1 4.39Å
492R89.6Confident87.4Confident108 Ų10868.9 Ų68.941%0.40837%0.367SS..Hα-helixtrans-66.8-16.5179.3-69.9166.3-177.3161.3-3.1114.4E485 L488 F489 P490E485-R492 IonicContact OE1-CZ 2.75Å; E485-R492 VanDerWaalsContact OE1-CZ 3.23Å; E485-R492 IonicContact OE1-NH1 3.29Å; E485-R492 PolarHBondContact OE1-NH1 2.98Å; E485-R492 IonicContact OE1-NH2 2.65Å; E485-R492 PolarHBondContact OE1-NH2 3.4Å; E485-R492 IonicContact OE2-CZ 3.84Å; E485-R492 IonicContact OE2-NH1 2.94Å; E485-R492 PolarHBondContact OE2-NH1 2.98Å; E485-R492 IonicContact OE2-NH2 2.8Å; E485-R492 PolarHBondContact OE2-NH2 2.68Å; L488-R492 VanDerWaalsContact O-CG 3.3Å; L488-R492 WeakPolarHBondContact O-CG 3.31Å; L488-R492 PolarHBondContact O-N 3.12Å; F489-R492 PolarHBondContact O-N 3.4Å; P490-R492 PolarHBondContact O-N 3.35Å
493K86.9Confident87Confident136 Ų13678 Ų7859%0.59141%0.41SS*.THydrogen-bonded Turntrans-85.8-15.7176.4-69.7166.4176.1168.80112.4F489 P490 I491 D512F489-K493 WeakPolarHBondContact O-CG 3.44Å; F489-K493 PolarHBondContact O-N 3.02Å; P490-K493 PolarHBondContact O-N 3.35Å; I491-K493 PolarHBondContact O-N 3.34Å; K493-D512 IonicContact NZ-OD1 3.89Å; K493-D512 PolarHBondContact NZ-OD1 3.21Å; K493-D512 IonicContact NZ-OD2 3.95Å
494I87.9Confident86.8Confident34 Ų3483.1 Ų83.117%0.17443%0.433CS..  trans-85.7125.7179.8-63.6159.8000108.5I491 V497 I500I491-I494 PolarHBondContact O-N 3.08Å; I491-I494 VanDerWaalsContact O-N 3.12Å; I494-V497 HydrophobicContact CB-CG2 4.07Å; I494-V497 HydrophobicContact CG2-CG2 4.05Å; I494-I500 HydrophobicContact CD1-CD1 3.47Å; I494-I500 VanDerWaalsContact CD1-CD1 3.47Å; I494-I500 HydrophobicContact CG1-CD1 4.04Å; I494-I500 HydrophobicContact CG2-CD1 4.08Å
495A83Confident86.4Confident107 Ų10781.6 Ų81.688%0.88443%0.432SS*.SBendtrans-72.9-39.8-179.600000112.5
496E83.7Confident86.1Confident139 Ų13983.7 Ų83.765%0.6545%0.447SS*.  trans-117.678.5-177.8-65.6179.8-168.700110.3E498 S499E496-E498 PolarHBondContact O-N 2.84Å; E496-S499 WeakPolarHBondContact CB-OG 3.35Å; E496-S499 PolarHBondContact O-OG 3.33Å; E496-S499 PolarHBondContact OE2-OG 3.4Å
497V84Confident85.9Confident73 Ų7387.2 Ų87.244%0.44247%0.47SS..THydrogen-bonded Turntrans-67.3-19.7-179.6-178.90000112I491 I494I491-V497 HydrophobicContact CG2-CG1 3.97Å; I491-V497 HydrophobicContact CG2-CG2 4Å; I494-V497 HydrophobicContact CB-CG2 4.07Å; I494-V497 HydrophobicContact CG2-CG2 4.05Å
498E86.1Confident85.7Confident204 Ų20486.1 Ų86.195%0.95346%0.459SS*.THydrogen-bonded Turntrans-73.7-27.2-178-63.1-176.917800113.8E496E496-E498 PolarHBondContact O-N 2.84Å
499S84.1Confident85.3Confident82 Ų8284.8 Ų84.857%0.57346%0.456SS*.SBendtrans-103.8-4.5-17356.10000114.1E496E496-S499 WeakPolarHBondContact CB-OG 3.35Å; E496-S499 PolarHBondContact O-OG 3.33Å; E496-S499 PolarHBondContact OE2-OG 3.4Å
500I85.6Confident84.9Confident42 Ų4287.3 Ų87.322%0.21547%0.467CS..  trans-85.1134.8-172.6-161.1174.6000112.3I494 Q504 V505I494-I500 HydrophobicContact CD1-CD1 3.47Å; I494-I500 VanDerWaalsContact CD1-CD1 3.47Å; I494-I500 HydrophobicContact CG1-CD1 4.04Å; I494-I500 HydrophobicContact CG2-CD1 4.08Å; I500-Q504 HydrophobicContact CD1-CB 3.82Å; I500-Q504 HydrophobicContact CG1-CB 3.6Å; I500-V505 HydrophobicContact CD1-CG2 4.46Å; I500-V505 HydrophobicContact CG2-CG2 4.48Å
501D84.6Confident84.8Confident104 Ų10492 Ų9256%0.55649%0.492SS*.  trans-72.4147.6169.6-66.7-45.9000110.9E503 Q504D501-E503 PolarHBondContact O-N 2.95Å; D501-E503 VanDerWaalsContact O-N 3.09Å; D501-Q504 HydrophobicContact CB-CG 4.2Å; D501-Q504 WeakPolarHBondContact O-CB 3.41Å; D501-Q504 PolarHBondContact O-N 3.41Å; D501-Q504 PolarHBondContact OD2-NE2 2.83Å
502V84Confident84.7Confident118 Ų11889 Ų8972%0.71548%0.477SS*.G310 helixtrans-55-34.2-179.2-179.80000112.2Q504 V505V502-Q504 VanDerWaalsContact C-N 3.28Å; V502-Q504 PolarHBondContact O-N 3.21Å; V502-V505 PolarHBondContact O-N 3.38Å
503E82.9Confident84.5Confident191 Ų19183.9 Ų83.989%0.89346%0.458SS*.G310 helixtrans-70.7-21.9179.9-59.3-172.8172.300113.7D501D501-E503 PolarHBondContact O-N 2.95Å; D501-E503 VanDerWaalsContact O-N 3.09Å
504Q83.4Confident84.5Confident117 Ų11781.8 Ų81.855%0.54745%0.449SS..G310 helixtrans-87.3-8.3-179.5-61.7176.312.800112.3I500 D501 V502 P506I500-Q504 HydrophobicContact CD1-CB 3.82Å; I500-Q504 HydrophobicContact CG1-CB 3.6Å; D501-Q504 HydrophobicContact CB-CG 4.2Å; D501-Q504 WeakPolarHBondContact O-CB 3.41Å; D501-Q504 PolarHBondContact O-N 3.41Å; D501-Q504 PolarHBondContact OD2-NE2 2.83Å; V502-Q504 VanDerWaalsContact C-N 3.28Å; V502-Q504 PolarHBondContact O-N 3.21Å; Q504-P506 WeakPolarHBondContact O-CD 3.06Å
505V84.5Confident84.5Confident43 Ų4382.4 Ų82.426%0.26146%0.456SS..SBendtrans-67.1121.5176.5-1790000109.3P490 I491 I500 V502P490-V505 HydrophobicContact CB-CG1 4.5Å; I491-V505 HydrophobicContact CG1-CG1 4.39Å; I500-V505 HydrophobicContact CD1-CG2 4.46Å; I500-V505 HydrophobicContact CG2-CG2 4.48Å; V502-V505 PolarHBondContact O-N 3.38Å
506P84.3Confident84.8Confident63 Ų6377.3 Ų77.341%0.40941%0.414SS..PPolyproline II helixtrans-61.6144.6-179.3-22.332.5000111.9P490 Q504P490-P506 HydrophobicContact CB-CB 4.3Å; P490-P506 VanDerWaalsContact CB-O 3.23Å; P490-P506 WeakPolarHBondContact CB-O 3.32Å; Q504-P506 WeakPolarHBondContact O-CD 3.06Å
507P84Confident85Confident75 Ų7571.6 Ų71.649%0.48739%0.388SS..PPolyproline II helixtrans-66.6158.4174.329.7-35.1000111.1S509P507-S509 PolarHBondContact O-N 3.31Å
508I83.9Confident85.2Confident14 Ų1472.2 Ų72.27%0.07240%0.395CS..PPolyproline II helixtrans-67.7129.8178.6-53.1170.7000109.5L449 M454 V455 L458 A486 A487 P490 D512 F513L449-I508 HydrophobicContact CD2-CD1 4.05Å; M454-I508 HydrophobicContact CB-CD1 4.1Å; M454-I508 HydrophobicContact CB-CG1 4.31Å; M454-I508 PolarHBondContact O-N 2.98Å; V455-I508 HydrophobicContact CG2-CB 4.44Å; V455-I508 HydrophobicContact CG2-CD1 4.42Å; L458-I508 HydrophobicContact CD1-CB 4.39Å; L458-I508 HydrophobicContact CD1-CG2 4.4Å; A486-I508 HydrophobicContact CB-CG2 4.24Å; A487-I508 HydrophobicContact CB-CD1 3.66Å; A487-I508 HydrophobicContact CB-CG1 4.5Å; P490-I508 HydrophobicContact CG-CG1 4.33Å; I508-D512 HydrophobicContact CG2-CB 4.15Å; I508-F513 HydrophobicContact CG2-CD2 4Å; I508-F513 HydrophobicContact CG2-CE2 3.68Å
509S82.1Confident85.4Confident41 Ų4169 Ų6929%0.28737%0.374SS..  trans-105.8164.4178.672.90000112.9P507 N511 D512 F513P507-S509 PolarHBondContact O-N 3.31Å; S509-N511 PolarHBondContact O-N 3.02Å; S509-D512 WeakPolarHBondContact CA-OD2 3.25Å; S509-D512 WeakPolarHBondContact CB-OD2 3.43Å; S509-D512 PolarHBondContact N-OD2 3.42Å; S509-D512 WeakPolarHBondContact O-CB 3.35Å; S509-D512 PolarHBondContact O-N 2.85Å; S509-D512 VanDerWaalsContact O-N 3.09Å; S509-D512 PolarHBondContact OG-N 2.86Å; S509-D512 PolarHBondContact OG-OD2 2.59Å; S509-F513 PolarHBondContact O-N 2.79Å
510E81.8Confident85.6Confident73 Ų7366.6 Ų66.634%0.34135%0.354SS..Hα-helixtrans-59.9-33.9175.1-165.5-164.714000112.2F461 D512 F513 K514F461-E510 HydrophobicContact CE1-CG 3.75Å; F461-E510 HydrophobicContact CE2-CG 4.34Å; F461-E510 HydrophobicContact CZ-CG 3.45Å; F461-E510 VanDerWaalsContact CZ-CG 3.45Å; E510-D512 PolarHBondContact O-N 3.47Å; E510-F513 WeakPolarHBondContact O-CB 3.44Å; E510-F513 PolarHBondContact O-N 3.29Å; E510-K514 PolarHBondContact O-N 3.43Å; E510-K514 WeakPolarHBondContact OE1-CE 3.39Å; E510-K514 IonicContact OE1-NZ 2.99Å; E510-K514 PolarHBondContact OE1-NZ 3.46Å
511N85.5Confident85.8Confident102 Ų10272.2 Ų72.255%0.54537%0.372SS..Hα-helixtrans-67.3-28177.8-74.2-18.7000112.4S509 K514 S515S509-N511 PolarHBondContact O-N 3.02Å; N511-K514 PolarHBondContact O-N 3.38Å; N511-S515 WeakPolarHBondContact O-CB 3.34Å; N511-S515 PolarHBondContact O-N 3.48Å; N511-S515 PolarHBondContact O-OG 3.47Å
512D87Confident86Confident3 Ų369 Ų692%0.01636%0.359CS..Hα-helixtrans-69.1-39.3174.5-59.8-41.3000110.6F489 K493 I508 S509 E510 S515 A516F489-D512 HydrophobicContact CB-CB 3.71Å; F489-D512 VanDerWaalsContact CB-OD1 3.31Å; F489-D512 WeakPolarHBondContact CB-OD1 3.27Å; F489-D512 HydrophobicContact CD2-CB 4.42Å; F489-D512 HydrophobicContact CG-CB 4.25Å; K493-D512 IonicContact NZ-OD1 3.89Å; K493-D512 PolarHBondContact NZ-OD1 3.21Å; K493-D512 IonicContact NZ-OD2 3.95Å; I508-D512 HydrophobicContact CG2-CB 4.15Å; S509-D512 WeakPolarHBondContact CA-OD2 3.25Å; S509-D512 WeakPolarHBondContact CB-OD2 3.43Å; S509-D512 PolarHBondContact N-OD2 3.42Å; S509-D512 WeakPolarHBondContact O-CB 3.35Å; S509-D512 PolarHBondContact O-N 2.85Å; S509-D512 VanDerWaalsContact O-N 3.09Å; S509-D512 PolarHBondContact OG-N 2.86Å; S509-D512 PolarHBondContact OG-OD2 2.59Å; E510-D512 PolarHBondContact O-N 3.47Å; D512-S515 PolarHBondContact O-N 3.47Å; D512-A516 WeakPolarHBondContact O-CB 3.37Å; D512-A516 PolarHBondContact O-N 2.99Å
513F85.9Confident86.3Confident0 Ų068.5 Ų68.50%036%0.356CS..Hα-helixtrans-64.6-43.3172-86-85.2000112.8I445 L449 L458 F461 W471 V482 A486 I508 S509 E510 S515 A516 L517I445-F513 HydrophobicContact CG2-CZ 4.43Å; L449-F513 HydrophobicContact CD1-CE2 4.29Å; L449-F513 HydrophobicContact CD1-CZ 4.06Å; L449-F513 HydrophobicContact CD2-CE2 4.36Å; L449-F513 HydrophobicContact CD2-CZ 4.02Å; L449-F513 HydrophobicContact CG-CZ 4.43Å; L458-F513 HydrophobicContact CD1-CD2 4.47Å; L458-F513 HydrophobicContact CD1-CE2 3.85Å; F461-F513 HydrophobicContact CE2-CB 3.61Å; F461-F513 HydrophobicContact CE2-CD1 4.09Å; F461-F513 AromaticContact CE2-CD2 3.99Å; F461-F513 HydrophobicContact CE2-CD2 3.99Å; F461-F513 AromaticContact CE2-CG 3.63Å; F461-F513 HydrophobicContact CE2-CG 3.63Å; F461-F513 HydrophobicContact CZ-CB 3.68Å; F461-F513 HydrophobicContact CZ-CG 4.23Å; W471-F513 HydrophobicContact CH2-CD1 4.46Å; W471-F513 HydrophobicContact CZ2-CD1 4.35Å; V482-F513 HydrophobicContact CG1-CD1 4.14Å; A486-F513 HydrophobicContact CB-CD1 3.89Å; A486-F513 HydrophobicContact CB-CD2 3.97Å; A486-F513 HydrophobicContact CB-CE1 3.91Å; A486-F513 HydrophobicContact CB-CE2 4Å; A486-F513 HydrophobicContact CB-CG 3.92Å; A486-F513 HydrophobicContact CB-CZ 3.97Å; I508-F513 HydrophobicContact CG2-CD2 4Å; I508-F513 HydrophobicContact CG2-CE2 3.68Å; S509-F513 PolarHBondContact O-N 2.79Å; E510-F513 WeakPolarHBondContact O-CB 3.44Å; E510-F513 PolarHBondContact O-N 3.29Å; F513-S515 VanDerWaalsContact C-N 3.26Å; F513-S515 PolarHBondContact O-N 3.37Å; F513-A516 PolarHBondContact O-N 2.93Å; F513-L517 WeakPolarHBondContact O-CB 3.44Å; F513-L517 VanDerWaalsContact O-CG 3.31Å; F513-L517 WeakPolarHBondContact O-CG 3.25Å; F513-L517 PolarHBondContact O-N 3.2Å
514K86Confident86.4Confident93 Ų9360.2 Ų60.240%0.40432%0.318SS..Hα-helixtrans-58.3-42.3173.9-71.2174.6-177.3159.10111.2E510 N511 L517 C518E510-K514 PolarHBondContact O-N 3.43Å; E510-K514 WeakPolarHBondContact OE1-CE 3.39Å; E510-K514 IonicContact OE1-NZ 2.99Å; E510-K514 PolarHBondContact OE1-NZ 3.46Å; N511-K514 PolarHBondContact O-N 3.38Å; K514-L517 PolarHBondContact O-N 2.82Å; K514-C518 PolarHBondContact O-N 2.9Å; K514-C518 VanDerWaalsContact O-N 3.08Å; K514-C518 PolarHBondContact O-SG 2.84Å; K514-C518 VanDerWaalsContact O-SG 3.35Å
515S88.7Confident86.5Confident47 Ų4758.5 Ų58.533%0.32932%0.318SS..Hα-helixtrans-68.7-36.5177.9-55.10000112.4F489 N511 D512 F513 C518 R519F489-S515 VanDerWaalsContact CZ-C 3.5Å; N511-S515 WeakPolarHBondContact O-CB 3.34Å; N511-S515 PolarHBondContact O-N 3.48Å; N511-S515 PolarHBondContact O-OG 3.47Å; D512-S515 PolarHBondContact O-N 3.47Å; F513-S515 VanDerWaalsContact C-N 3.26Å; F513-S515 PolarHBondContact O-N 3.37Å; S515-C518 WeakPolarHBondContact O-CB 3.47Å; S515-C518 PolarHBondContact O-N 3.06Å; S515-R519 PolarHBondContact O-N 3.28Å
516A89.7Confident86.5Confident0 Ų060.5 Ų60.50%033%0.327CS..Hα-helixtrans-66.9-43.5174.800000111.9V482 E485 A486 F489 D512 F513 C518 R519 I520V482-A516 HydrophobicContact CG1-CB 3.94Å; E485-A516 HydrophobicContact CB-CB 4.02Å; E485-A516 HydrophobicContact CG-CB 3.86Å; A486-A516 HydrophobicContact CB-CB 4Å; F489-A516 HydrophobicContact CD2-CB 4.38Å; F489-A516 HydrophobicContact CE2-CB 3.88Å; D512-A516 WeakPolarHBondContact O-CB 3.37Å; D512-A516 PolarHBondContact O-N 2.99Å; F513-A516 PolarHBondContact O-N 2.93Å; A516-C518 PolarHBondContact O-N 3.38Å; A516-R519 PolarHBondContact O-N 3.31Å; A516-I520 PolarHBondContact O-N 3.03Å
517L87.6Confident86.4Confident18 Ų1863.7 Ų63.79%0.09434%0.341CS..Hα-helixtrans-62.3-31174.3-72.4164.3000111.9V470 W471 Y474 V482 F513 K514 R519 R521V470-L517 HydrophobicContact CG1-CB 4.23Å; V470-L517 HydrophobicContact CG1-CD1 3.75Å; V470-L517 HydrophobicContact CG1-CD2 4.09Å; V470-L517 HydrophobicContact CG1-CG 4.23Å; W471-L517 HydrophobicContact CD2-CD2 4.09Å; W471-L517 HydrophobicContact CE3-CD2 3.96Å; W471-L517 HydrophobicContact CH2-CD2 3.94Å; W471-L517 HydrophobicContact CZ2-CD1 4.03Å; W471-L517 HydrophobicContact CZ2-CD2 4.01Å; W471-L517 HydrophobicContact CZ2-CG 4.36Å; W471-L517 HydrophobicContact CZ3-CD2 3.89Å; Y474-L517 HydrophobicContact CE1-CD2 4.25Å; V482-L517 HydrophobicContact CG1-CD2 3.9Å; V482-L517 HydrophobicContact CG1-CG 3.98Å; V482-L517 HydrophobicContact CG2-CD2 4.02Å; F513-L517 WeakPolarHBondContact O-CB 3.44Å; F513-L517 VanDerWaalsContact O-CG 3.31Å; F513-L517 WeakPolarHBondContact O-CG 3.25Å; F513-L517 PolarHBondContact O-N 3.2Å; K514-L517 PolarHBondContact O-N 2.82Å; L517-R519 VanDerWaalsContact C-N 3.26Å; L517-R519 PolarHBondContact O-N 2.77Å; L517-R521 PolarHBondContact O-NH1 3.48Å
518C87.2Confident86.5Confident87 Ų8761.2 Ų61.259%0.58833%0.328SS*.Hα-helixtrans-66.8-25.2171.9-740000113.5K514 S515 A516 R521K514-C518 PolarHBondContact O-N 2.9Å; K514-C518 VanDerWaalsContact O-N 3.08Å; K514-C518 PolarHBondContact O-SG 2.84Å; K514-C518 VanDerWaalsContact O-SG 3.35Å; S515-C518 WeakPolarHBondContact O-CB 3.47Å; S515-C518 PolarHBondContact O-N 3.06Å; A516-C518 PolarHBondContact O-N 3.38Å; C518-R521 VanDerWaalsContact C-NH1 3.29Å; C518-R521 PolarHBondContact O-NH1 2.99Å; C518-R521 PolarHBondContact O-NH2 2.75Å
519R89.7Confident86.8Confident137 Ų13761.8 Ų61.852%0.51733%0.331SS..Hα-helixtrans-96.8-42.3-178.5-70.6-177.3173.7-166.4-1.3113.7E485 S515 A516 L517E485-R519 WeakPolarHBondContact OE1-CD 3.5Å; E485-R519 IonicContact OE1-CZ 2.91Å; E485-R519 IonicContact OE1-NE 3.99Å; E485-R519 IonicContact OE1-NH1 3.52Å; E485-R519 PolarHBondContact OE1-NH1 2.78Å; S515-R519 PolarHBondContact O-N 3.28Å; A516-R519 PolarHBondContact O-N 3.31Å; L517-R519 VanDerWaalsContact C-N 3.26Å; L517-R519 PolarHBondContact O-N 2.77Å
520I90.2Very high87.3Confident31 Ų3165 Ų6516%0.15935%0.345CS..PPolyproline II helixtrans-95.7116.2-177.8-53.9-56.6000108.5Y474 E481 V482 E485 A516Y474-I520 HydrophobicContact CE1-CG2 4.49Å; Y474-I520 PolarHBondContact OH-O 2.66Å; E481-I520 HydrophobicContact CB-CG2 4.19Å; E481-I520 HydrophobicContact CG-CD1 3.83Å; E481-I520 HydrophobicContact CG-CG1 4.12Å; E481-I520 HydrophobicContact CG-CG2 3.95Å; V482-I520 HydrophobicContact CG2-CB 3.85Å; V482-I520 HydrophobicContact CG2-CG1 4.48Å; V482-I520 HydrophobicContact CG2-CG2 3.78Å; E485-I520 HydrophobicContact CB-CD1 4.42Å; E485-I520 HydrophobicContact CB-CG1 3.97Å; E485-I520 HydrophobicContact CG-CD1 4.33Å; E485-I520 HydrophobicContact CG-CG1 3.99Å; A516-I520 PolarHBondContact O-N 3.03Å
521R88.4Confident87.8Confident159 Ų15966.8 Ų66.860%0.635%0.353SS*.PPolyproline II helixtrans-96.2158.4172.7-65.4-73.8176.6-85.3-8.1109.5L517 C518L517-R521 PolarHBondContact O-NH1 3.48Å; C518-R521 VanDerWaalsContact C-NH1 3.29Å; C518-R521 PolarHBondContact O-NH1 2.99Å; C518-R521 PolarHBondContact O-NH2 2.75Å
522S89.7Confident88.3Confident38 Ų3862.9 Ų62.927%0.26633%0.331SS..PPolyproline II helixtrans-59.7138.4172.31730000110.8G473 V524G473-S522 PolarHBondContact O-OG 3.18Å; S522-V524 PolarHBondContact OG-N 3.09Å; S522-V524 PolarHBondContact OG-O 3.22Å
523T89Confident88.5Confident107 Ų10767.6 Ų67.666%0.65635%0.353SS*.SBendtrans-81.7-20.4173.7-54.90000111.9D478D478-T523 VanDerWaalsContact OD1-CB 3.28Å; D478-T523 WeakPolarHBondContact OD1-CB 3.26Å; D478-T523 PolarHBondContact OD1-N 3.42Å; D478-T523 PolarHBondContact OD1-OG1 3.46Å; D478-T523 PolarHBondContact OD2-N 2.65Å
524V86.7Confident89Confident16 Ų1674.8 Ų74.810%0.09738%0.384CS..SBendtrans-96.7124.2-173.4-177.90000110.6P310 P311 L435 S522P310-V524 HydrophobicContact CB-CG1 3.99Å; P310-V524 HydrophobicContact CB-CG2 4.08Å; P310-V524 HydrophobicContact CG-CG1 4.38Å; P311-V524 HydrophobicContact CG-CG2 4.43Å; L435-V524 HydrophobicContact CD1-CG1 4.35Å; L435-V524 HydrophobicContact CD2-CB 4.44Å; L435-V524 HydrophobicContact CD2-CG1 4.4Å; L435-V524 HydrophobicContact CD2-CG2 4.14Å; S522-V524 PolarHBondContact OG-N 3.09Å; S522-V524 PolarHBondContact OG-O 3.22Å
525C84.7Confident89.4Confident82 Ų8271.2 Ų71.255%0.55437%0.369SS*.  trans-72.2126.2170.8-169.80000110.1D527 G528C525-D527 VanDerWaalsContact C-N 3.32Å; C525-D527 PolarHBondContact O-N 3.2Å; C525-G528 PolarHBondContact O-N 3.23Å
526L83.6Confident89.7Confident84 Ų8470.6 Ų70.644%0.4436%0.362SS..G310 helixtrans-63.3-37.6-179.1-67.2177.9000112.2I472 G528 I529I472-L526 HydrophobicContact CG2-CD1 4.06Å; I472-L526 HydrophobicContact CG2-CD2 4.32Å; L526-G528 PolarHBondContact O-N 3.23Å; L526-G528 VanDerWaalsContact O-N 3.15Å; L526-I529 HydrophobicContact CD2-CD1 3.61Å; L526-I529 VanDerWaalsContact O-CB 3.26Å; L526-I529 WeakPolarHBondContact O-CB 3.02Å; L526-I529 WeakPolarHBondContact O-CG1 3.41Å; L526-I529 PolarHBondContact O-N 3.5Å
527D82.3Confident89.9Confident131 Ų13175.6 Ų75.670%0.70140%0.396SS*.G310 helixtrans-61.1-26.2178-56.8-18.3000112.3C525 I529C525-D527 VanDerWaalsContact C-N 3.32Å; C525-D527 PolarHBondContact O-N 3.2Å; D527-I529 VanDerWaalsContact C-N 3.28Å; D527-I529 PolarHBondContact O-N 3.3Å
528G86Confident90.1Very high22 Ų2280.1 Ų80.123%0.22742%0.42CS..G310 helixtrans-75.6-14.2176.200000113.7C525 L526 E531 Y532C525-G528 PolarHBondContact O-N 3.23Å; L526-G528 PolarHBondContact O-N 3.23Å; L526-G528 VanDerWaalsContact O-N 3.15Å; G528-E531 PolarHBondContact O-N 3.43Å; G528-Y532 WeakPolarHBondContact O-CD2 3.14Å; G528-Y532 WeakPolarHBondContact O-CE2 3.31Å
529I91Very high90.4Very high26 Ų2680.2 Ų80.213%0.13341%0.409CS..Hα-helixtrans-67.7-40.8-178.8-61.6173.6000110.6L435 L526 D527 E531 Y532 E533L435-I529 HydrophobicContact CD1-CD1 3.48Å; L435-I529 VanDerWaalsContact CD1-CD1 3.48Å; L435-I529 HydrophobicContact CD1-CG1 4.36Å; L435-I529 HydrophobicContact CG-CD1 4.42Å; L526-I529 HydrophobicContact CD2-CD1 3.61Å; L526-I529 VanDerWaalsContact O-CB 3.26Å; L526-I529 WeakPolarHBondContact O-CB 3.02Å; L526-I529 WeakPolarHBondContact O-CG1 3.41Å; L526-I529 PolarHBondContact O-N 3.5Å; D527-I529 VanDerWaalsContact C-N 3.28Å; D527-I529 PolarHBondContact O-N 3.3Å; I529-E531 PolarHBondContact O-N 3.28Å; I529-Y532 WeakPolarHBondContact O-CB 3.34Å; I529-Y532 PolarHBondContact O-N 3.19Å; I529-E533 HydrophobicContact CG2-CG 4.37Å; I529-E533 PolarHBondContact O-N 3.01Å; I529-E533 VanDerWaalsContact O-N 3.07Å
530D92Very high90.5Very high108 Ų10874.8 Ų74.858%0.57840%0.395SS*.Hα-helixtrans-57.2-34.5179.8-66.6-10.2000112.1E533 K534D530-E533 PolarHBondContact O-N 2.63Å; D530-K534 VanDerWaalsContact O-CB 3.25Å; D530-K534 WeakPolarHBondContact O-CB 3.3Å; D530-K534 PolarHBondContact O-N 2.81Å
531E93.5Very high90.4Very high111 Ų11175.8 Ų75.852%0.51940%0.398SS..Hα-helixtrans-65.5-39.3176.3-62.9-169.316200112W417 G528 I529 W535W417-E531 HydrophobicContact CZ3-CB 4.38Å; G528-E531 PolarHBondContact O-N 3.43Å; I529-E531 PolarHBondContact O-N 3.28Å; E531-W535 WeakPolarHBondContact O-CB 3.35Å; E531-W535 PolarHBondContact O-N 3.32Å
532Y94.6Very high89.6Confident21 Ų2173.1 Ų73.18%0.08240%0.4CS..Hα-helixtrans-69.2-41.5176-63.7-80.2000111.8F308 P310 N414 P416 W417 Y432 G528 I529 W535 N536F308-Y532 HydrophobicContact CD2-CD1 4.41Å; P310-Y532 HydrophobicContact CB-CE2 4.47Å; P310-Y532 HydrophobicContact CG-CD2 4.05Å; P310-Y532 HydrophobicContact CG-CE2 3.85Å; N414-Y532 VanDerWaalsContact O-CE1 3.31Å; N414-Y532 WeakPolarHBondContact O-CE1 3.46Å; N414-Y532 PolarHBondContact O-OH 3.31Å; P416-Y532 HydrophobicContact CG-CD1 4.26Å; P416-Y532 HydrophobicContact CG-CE1 4.47Å; W417-Y532 AromaticContact CH2-CE1 3.95Å; W417-Y532 HydrophobicContact CH2-CE1 3.95Å; W417-Y532 HydrophobicContact CH2-CE2 4.42Å; W417-Y532 AromaticContact CH2-CZ 3.82Å; W417-Y532 HydrophobicContact CZ3-CD1 4.01Å; W417-Y532 AromaticContact CZ3-CE1 3.74Å; W417-Y532 HydrophobicContact CZ3-CE1 3.74Å; Y432-Y532 HydrophobicContact CE2-CD1 4.5Å; Y432-Y532 HydrophobicContact CE2-CG 4.14Å; G528-Y532 WeakPolarHBondContact O-CD2 3.14Å; G528-Y532 WeakPolarHBondContact O-CE2 3.31Å; I529-Y532 WeakPolarHBondContact O-CB 3.34Å; I529-Y532 PolarHBondContact O-N 3.19Å; Y532-W535 PolarHBondContact O-N 3.27Å; Y532-N536 VanDerWaalsContact O-CB 3.3Å; Y532-N536 WeakPolarHBondContact O-CB 3.49Å; Y532-N536 PolarHBondContact O-N 3.35Å
533E93Very high88.5Confident102 Ų10274.3 Ų74.348%0.47740%0.401SS..Hα-helixtrans-63.5-46.9177.9-67.8-168.7170.800111Y432 I529 D530 W535 N536 S537Y432-E533 HydrophobicContact CE1-CG 4.49Å; I529-E533 HydrophobicContact CG2-CG 4.37Å; I529-E533 PolarHBondContact O-N 3.01Å; I529-E533 VanDerWaalsContact O-N 3.07Å; D530-E533 PolarHBondContact O-N 2.63Å; E533-W535 VanDerWaalsContact C-N 3.32Å; E533-W535 PolarHBondContact O-N 3.48Å; E533-N536 WeakPolarHBondContact O-CB 3.37Å; E533-N536 PolarHBondContact O-N 3.25Å; E533-N536 VanDerWaalsContact O-N 3.14Å; E533-S537 PolarHBondContact O-N 3.36Å; E533-S537 PolarHBondContact O-OG 3.25Å
534K94.6Very high86.8Confident150 Ų15073.4 Ų73.465%0.65240%0.399SS*.Hα-helixtrans-58.3-43.5174.3-176.1178-179177.80111.9D530 S537 L538D530-K534 VanDerWaalsContact O-CB 3.25Å; D530-K534 WeakPolarHBondContact O-CB 3.3Å; D530-K534 PolarHBondContact O-N 2.81Å; K534-S537 PolarHBondContact O-N 3.2Å; K534-L538 HydrophobicContact CG-CD1 4.45Å; K534-L538 WeakPolarHBondContact O-CG 3.47Å; K534-L538 PolarHBondContact O-N 3.15Å
535W94.7Very high84.9Confident19 Ų1982 Ų827%0.07243%0.43CS..Hα-helixtrans-65.8-39.7176.9-165.399.7000111.8L306 F308 P416 R430 E531 Y532 E533 L538 Y539L306-W535 HydrophobicContact CD2-CH2 3.93Å; F308-W535 HydrophobicContact CD1-CE3 4.24Å; F308-W535 HydrophobicContact CD1-CH2 4.44Å; F308-W535 AromaticContact CD1-CZ3 3.64Å; F308-W535 HydrophobicContact CD1-CZ3 3.64Å; F308-W535 AromaticContact CD2-CE3 3.92Å; F308-W535 HydrophobicContact CD2-CE3 3.92Å; F308-W535 HydrophobicContact CD2-CZ3 4.14Å; F308-W535 AromaticContact CE1-CE3 3.84Å; F308-W535 HydrophobicContact CE1-CE3 3.84Å; F308-W535 HydrophobicContact CE1-CH2 4.48Å; F308-W535 AromaticContact CE1-CZ3 3.38Å; F308-W535 HydrophobicContact CE1-CZ3 3.38Å; F308-W535 HydrophobicContact CE2-CD2 4.49Å; F308-W535 AromaticContact CE2-CE3 3.47Å; F308-W535 HydrophobicContact CE2-CE3 3.47Å; F308-W535 VanDerWaalsContact CE2-CE3 3.47Å; F308-W535 AromaticContact CE2-CZ3 3.89Å; F308-W535 HydrophobicContact CE2-CZ3 3.89Å; F308-W535 HydrophobicContact CG-CE3 4.27Å; F308-W535 HydrophobicContact CG-CZ3 4.01Å; F308-W535 AromaticContact CZ-CE3 3.41Å; F308-W535 HydrophobicContact CZ-CE3 3.41Å; F308-W535 VanDerWaalsContact CZ-CE3 3.41Å; F308-W535 AromaticContact CZ-CZ3 3.49Å; F308-W535 HydrophobicContact CZ-CZ3 3.49Å; F308-W535 VanDerWaalsContact CZ-CZ3 3.49Å; P416-W535 HydrophobicContact CB-CD2 3.77Å; P416-W535 HydrophobicContact CB-CE3 4.07Å; P416-W535 HydrophobicContact CB-CG 4.32Å; P416-W535 HydrophobicContact CB-CH2 4.02Å; P416-W535 HydrophobicContact CB-CZ2 3.71Å; P416-W535 HydrophobicContact CB-CZ3 4.2Å; P416-W535 HydrophobicContact CG-CD2 4.03Å; P416-W535 HydrophobicContact CG-CE3 4.37Å; P416-W535 HydrophobicContact CG-CG 4.16Å; P416-W535 PolarHBondContact O-NE1 3.41Å; R430-W535 HydrophobicContact CB-CH2 4.21Å; R430-W535 HydrophobicContact CB-CZ3 4.08Å; R430-W535 HydrophobicContact CG-CH2 4.17Å; E531-W535 WeakPolarHBondContact O-CB 3.35Å; E531-W535 PolarHBondContact O-N 3.32Å; Y532-W535 PolarHBondContact O-N 3.27Å; E533-W535 VanDerWaalsContact C-N 3.32Å; E533-W535 PolarHBondContact O-N 3.48Å; W535-L538 PolarHBondContact O-N 3.09Å; W535-Y539 AromaticContact CD1-CD2 3.93Å; W535-Y539 AromaticContact CD2-CD2 3.89Å; W535-Y539 HydrophobicContact CD2-CD2 3.89Å; W535-Y539 AromaticContact CE2-CD2 3.61Å; W535-Y539 HydrophobicContact CG-CD2 4.08Å; W535-Y539 HydrophobicContact CZ2-CD2 4.11Å; W535-Y539 HydrophobicContact CZ2-CG 4.31Å; W535-Y539 AromaticContact NE1-CD2 3.65Å; W535-Y539 PolarHBondContact O-N 3.4Å
536N94.7Very high82.8Confident34 Ų3487 Ų8718%0.18245%0.445CS..Hα-helixtrans-63.7-40.7176.2-173.952.6000111.9F308 Y432 Y532 E533 L538 G540F308-N536 HydrophobicContact CE2-CB 4.11Å; F308-N536 HydrophobicContact CZ-CB 3.8Å; Y432-N536 WeakPolarHBondContact CB-OD1 3.23Å; Y432-N536 HydrophobicContact CG-CB 4.34Å; Y532-N536 VanDerWaalsContact O-CB 3.3Å; Y532-N536 WeakPolarHBondContact O-CB 3.49Å; Y532-N536 PolarHBondContact O-N 3.35Å; E533-N536 WeakPolarHBondContact O-CB 3.37Å; E533-N536 PolarHBondContact O-N 3.25Å; E533-N536 VanDerWaalsContact O-N 3.14Å; N536-L538 VanDerWaalsContact C-N 3.26Å; N536-L538 PolarHBondContact O-N 2.93Å; N536-G540 WeakPolarHBondContact O-CA 3.45Å; N536-G540 PolarHBondContact O-N 3.12Å; N536-G540 WeakPolarHBondContact OD1-CA 3.35Å
537S93.9Very high80.2Confident104 Ų10492.3 Ų92.373%0.72748%0.481SS*.Hα-helixtrans-63.3-32174.9-59.20000113E533 K534E533-S537 PolarHBondContact O-N 3.36Å; E533-S537 PolarHBondContact O-OG 3.25Å; K534-S537 PolarHBondContact O-N 3.2Å
538L93.3Very high80.1Confident113 Ų11390.4 Ų90.459%0.59247%0.47SS*.Hα-helixtrans-84.6-38.6-178.6-68.6172.7000113.5K534 W535 N536K534-L538 HydrophobicContact CG-CD1 4.45Å; K534-L538 WeakPolarHBondContact O-CG 3.47Å; K534-L538 PolarHBondContact O-N 3.15Å; W535-L538 PolarHBondContact O-N 3.09Å; N536-L538 VanDerWaalsContact C-N 3.26Å; N536-L538 PolarHBondContact O-N 2.93Å
539Y93.5Very high79.8Confident89 Ų8993.9 Ų93.935%0.34948%0.483SS..Hα-helixtrans-129.7-13.6-168.6-57.4-66.1000114.7R424 R430 W535R424-Y539 PolarHBondContact NH1-OH 3.32Å; R424-Y539 VanDerWaalsContact NH1-OH 3.14Å; R430-Y539 WeakPolarHBondContact CD-O 3.49Å; R430-Y539 PolarHBondContact NH1-O 3.3Å; W535-Y539 AromaticContact CD1-CD2 3.93Å; W535-Y539 AromaticContact CD2-CD2 3.89Å; W535-Y539 HydrophobicContact CD2-CD2 3.89Å; W535-Y539 AromaticContact CE2-CD2 3.61Å; W535-Y539 HydrophobicContact CG-CD2 4.08Å; W535-Y539 HydrophobicContact CZ2-CD2 4.11Å; W535-Y539 HydrophobicContact CZ2-CG 4.31Å; W535-Y539 AromaticContact NE1-CD2 3.65Å; W535-Y539 PolarHBondContact O-N 3.4Å
540G90.3Very high79.2Confident23 Ų2397.7 Ų97.724%0.23750%0.503CS..  trans-68.8158.4-174.100000113.7N536N536-G540 WeakPolarHBondContact O-CA 3.45Å; N536-G540 PolarHBondContact O-N 3.12Å; N536-G540 WeakPolarHBondContact OD1-CA 3.35Å
541F88.1Confident78.5Confident52 Ų5297.1 Ų97.123%0.22850%0.498CS..  trans-94.9105.5170.1-179.7-105.2000108.6A280 I284 R430 L431A280-F541 HydrophobicContact CB-CE1 4.19Å; I284-F541 HydrophobicContact CG2-CE1 4.13Å; I284-F541 HydrophobicContact CG2-CZ 4.26Å; R430-F541 WeakPolarHBondContact O-CB 3.33Å; R430-F541 PolarHBondContact O-N 3.48Å; L431-F541 HydrophobicContact CD2-CB 4.3Å; L431-F541 HydrophobicContact CD2-CD1 3.75Å
542T73.1Confident77.5Confident103 Ų10396.3 Ų96.363%0.63250%0.497SS*.  trans-88.8126.8175-32.50000109.1S544T542-S544 PolarHBondContact O-N 3.28Å; T542-S544 VanDerWaalsContact O-N 3.09Å
543H65Low76.4Confident64 Ų64101.3 Ų101.330%0.29653%0.525SS..  trans-72.7100.1164.9-167.566.4000106.3A280 E283 R545A280-H543 HydrophobicContact CB-CB 4.48Å; E283-H543 IonicContact OE2-CE1 3.77Å; E283-H543 IonicContact OE2-ND1 2.74Å; H543-R545 PolarHBondContact O-N 3.34Å; H543-R545 VanDerWaalsContact O-N 3.07Å
544S53.9Low75.2Confident87 Ų87101.2 Ų101.261%0.60853%0.528SS*.  trans-58.4117.217251.10000107.3T542 Q546T542-S544 PolarHBondContact O-N 3.28Å; T542-S544 VanDerWaalsContact O-N 3.09Å; S544-Q546 PolarHBondContact O-N 3.48Å
545R46.3Very low73.7Confident196 Ų19697.5 Ų97.574%0.7452%0.518SS*.  trans-55.1107.8164.9-71.3-176.9-179175.81.9105.9E276 H543 T547E276-R545 IonicContact OE1-CZ 3.32Å; E276-R545 IonicContact OE1-NE 3.29Å; E276-R545 PolarHBondContact OE1-NE 3.41Å; E276-R545 IonicContact OE1-NH2 2.75Å; E276-R545 PolarHBondContact OE1-NH2 3.33Å; H543-R545 PolarHBondContact O-N 3.34Å; H543-R545 VanDerWaalsContact O-N 3.07Å; R545-T547 PolarHBondContact O-N 3.44Å
546Q41.8Very low72Confident187 Ų187104 Ų10487%0.87456%0.556SS**  trans-60.4113.3165-73-179.3-4.900105.1S544S544-Q546 PolarHBondContact O-N 3.48Å
547T29.7Very low69.9Low196 Ų196110.4 Ų110.4100%1.20259%0.59SS**  trans-58.20171.644.60000111.5R545R545-T547 PolarHBondContact O-N 3.44Å

Retrieved 547 of 547 residues in 806.2 ms (Link to these results)