A0A5K4F5R5_SCHMA Loading...

GOLD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5R5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 536 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
1M55.9Low73.5Confident213 Ų213128.8 Ų128.8100%1.04961%0.608SS**  0-101.40-53.8-32.7-164.200110.8R3 L4M1-R3 PolarHBondContact O-N 2.91Å; M1-L4 PolarHBondContact O-N 2.98Å
2G71.6Confident73.5Confident58 Ų58126.8 Ų126.860%0.59860%0.603SS**Hα-helixtrans-39.3-48.2-163.500000118.7L4 W5 W6G2-L4 PolarHBondContact O-N 3.13Å; G2-L4 VanDerWaalsContact O-N 3.17Å; G2-W5 WeakPolarHBondContact O-CB 3.49Å; G2-W5 PolarHBondContact O-N 3.17Å; G2-W5 VanDerWaalsContact O-N 3.13Å; G2-W6 PolarHBondContact O-N 3.14Å; G2-W6 VanDerWaalsContact O-N 3.14Å
3R72.8Confident73.7Confident230 Ų230124.4 Ų124.487%0.86859%0.594SS**Hα-helixtrans-60.8-24179.6-74.9-168.9177.6-167.9-1.4115.1M1 I7M1-R3 PolarHBondContact O-N 2.91Å; R3-I7 WeakPolarHBondContact O-CD1 3.16Å; R3-I7 WeakPolarHBondContact O-CG1 3.5Å
4L71.5Confident73.4Confident115 Ų115122.7 Ų122.760%0.60259%0.589SS**Hα-helixtrans-81.4-34.1176.8-164.173.3000111.8M1 G2 I7 L8M1-L4 PolarHBondContact O-N 2.98Å; G2-L4 PolarHBondContact O-N 3.13Å; G2-L4 VanDerWaalsContact O-N 3.17Å; L4-I7 PolarHBondContact O-N 3.16Å; L4-L8 PolarHBondContact O-N 2.86Å
5W74.6Confident72.9Confident188 Ų188118.5 Ų118.571%0.71257%0.574SS**Hα-helixtrans-63.2-47.9173.8-122.254.2000110.4G2 I7 L8 D9G2-W5 WeakPolarHBondContact O-CB 3.49Å; G2-W5 PolarHBondContact O-N 3.17Å; G2-W5 VanDerWaalsContact O-N 3.13Å; W5-I7 PolarHBondContact O-N 3.37Å; W5-I7 VanDerWaalsContact O-N 3.16Å; W5-L8 CarbonylContact O-C 3.6Å; W5-L8 WeakPolarHBondContact O-CA 3.18Å; W5-L8 WeakPolarHBondContact O-CB 3.47Å; W5-L8 PolarHBondContact O-N 3.2Å; W5-D9 PolarHBondContact O-N 2.95Å
6W77.8Confident72.4Confident176 Ų176117.7 Ų117.767%0.66758%0.579SS**Hα-helixtrans-59.2-30.7177.5-164.771.8000113.7G2 L10G2-W6 PolarHBondContact O-N 3.14Å; G2-W6 VanDerWaalsContact O-N 3.14Å; W6-L10 HydrophobicContact CH2-CD2 4.47Å; W6-L10 HydrophobicContact CZ3-CD2 4.31Å; W6-L10 WeakPolarHBondContact O-CB 3.47Å; W6-L10 PolarHBondContact O-N 3.07Å
7I79.4Confident71.6Confident93 Ų93117.9 Ų117.948%0.47758%0.583SS.*Hα-helixtrans-72.7-37.7174.2-67.5165.7000111.2R3 L4 W5 F11R3-I7 WeakPolarHBondContact O-CD1 3.16Å; R3-I7 WeakPolarHBondContact O-CG1 3.5Å; L4-I7 PolarHBondContact O-N 3.16Å; W5-I7 PolarHBondContact O-N 3.37Å; W5-I7 VanDerWaalsContact O-N 3.16Å; I7-F11 WeakPolarHBondContact O-CB 3.37Å; I7-F11 PolarHBondContact O-N 3.22Å
8L74.5Confident70.4Confident94 Ų94116.9 Ų116.949%0.49259%0.588SS.*Hα-helixtrans-70.4-42.2176-72.6165.8000111.9L4 W5 F11 L12L4-L8 PolarHBondContact O-N 2.86Å; W5-L8 CarbonylContact O-C 3.6Å; W5-L8 WeakPolarHBondContact O-CA 3.18Å; W5-L8 WeakPolarHBondContact O-CB 3.47Å; W5-L8 PolarHBondContact O-N 3.2Å; L8-F11 PolarHBondContact O-N 3.43Å; L8-L12 PolarHBondContact O-N 2.97Å
9D77.2Confident69.2Low64 Ų64119.6 Ų119.634%0.34260%0.598SS.*Hα-helixtrans-59.8-47171.9-70.7-40.8000110.7W5 F11 L12 I13W5-D9 PolarHBondContact O-N 2.95Å; D9-F11 VanDerWaalsContact C-N 3.31Å; D9-F11 PolarHBondContact O-N 3.14Å; D9-L12 PolarHBondContact O-N 2.84Å; D9-I13 WeakPolarHBondContact O-CB 3.41Å; D9-I13 WeakPolarHBondContact O-CD1 3.21Å; D9-I13 WeakPolarHBondContact O-CG1 3.47Å; D9-I13 PolarHBondContact O-N 2.94Å
10L78.2Confident68Low75 Ų75118.1 Ų118.139%0.39360%0.597SS.*Hα-helixtrans-62.1-38.3176.9-169.769.6000111.8W6 I13 L14W6-L10 HydrophobicContact CH2-CD2 4.47Å; W6-L10 HydrophobicContact CZ3-CD2 4.31Å; W6-L10 WeakPolarHBondContact O-CB 3.47Å; W6-L10 PolarHBondContact O-N 3.07Å; L10-I13 PolarHBondContact O-N 3.19Å; L10-L14 HydrophobicContact CD1-CD1 4.17Å; L10-L14 HydrophobicContact CG-CD1 4.07Å; L10-L14 WeakPolarHBondContact O-CD1 3.33Å; L10-L14 PolarHBondContact O-N 2.91Å
11F74.7Confident66.8Low111 Ų111117.1 Ų117.149%0.48760%0.601SS.*Hα-helixtrans-66.4-43.2175.2-124.4-86.8000112.3I7 L8 D9 I13 L14 T15 L498I7-F11 WeakPolarHBondContact O-CB 3.37Å; I7-F11 PolarHBondContact O-N 3.22Å; L8-F11 PolarHBondContact O-N 3.43Å; D9-F11 VanDerWaalsContact C-N 3.31Å; D9-F11 PolarHBondContact O-N 3.14Å; F11-I13 VanDerWaalsContact C-N 3.34Å; F11-L14 PolarHBondContact O-N 3.17Å; F11-T15 HydrophobicContact CD1-CG2 4.32Å; F11-T15 WeakPolarHBondContact O-CG2 3.33Å; F11-T15 PolarHBondContact O-N 2.94Å; F11-T15 PolarHBondContact O-OG1 3.43Å; F11-L498 HydrophobicContact CE1-CD1 4.15Å; F11-L498 HydrophobicContact CE1-CD2 4.13Å
12L74.2Confident66.2Low105 Ų105112.8 Ų112.855%0.5559%0.587SS.*Hα-helixtrans-61.8-41.5173.7-86.1163.6000111.8L8 D9 T15 V16L8-L12 PolarHBondContact O-N 2.97Å; D9-L12 PolarHBondContact O-N 2.84Å; L12-T15 PolarHBondContact O-N 2.93Å; L12-T15 PolarHBondContact O-OG1 2.83Å; L12-V16 WeakPolarHBondContact O-CB 3.17Å; L12-V16 VanDerWaalsContact O-CG2 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.45Å; L12-V16 PolarHBondContact O-N 3.3Å
13I75.5Confident64.8Low95 Ų95116.8 Ų116.849%0.48760%0.595SS.*Hα-helixtrans-61.9-44.2175.2-71.7164.4000110.2D9 L10 F11 N17D9-I13 WeakPolarHBondContact O-CB 3.41Å; D9-I13 WeakPolarHBondContact O-CD1 3.21Å; D9-I13 WeakPolarHBondContact O-CG1 3.47Å; D9-I13 PolarHBondContact O-N 2.94Å; L10-I13 PolarHBondContact O-N 3.19Å; F11-I13 VanDerWaalsContact C-N 3.34Å; I13-N17 VanDerWaalsContact O-CB 3.3Å; I13-N17 WeakPolarHBondContact O-CB 3.35Å; I13-N17 PolarHBondContact O-N 3.26Å; I13-N17 PolarHBondContact O-ND2 3.38Å
14L69.7Low63Low101 Ų101111.3 Ų111.353%0.52959%0.591SS.*Hα-helixtrans-65.9-44.5175.3-93.281.4000112.5L10 F11 V16 N17 C18L10-L14 HydrophobicContact CD1-CD1 4.17Å; L10-L14 HydrophobicContact CG-CD1 4.07Å; L10-L14 WeakPolarHBondContact O-CD1 3.33Å; L10-L14 PolarHBondContact O-N 2.91Å; F11-L14 PolarHBondContact O-N 3.17Å; L14-V16 VanDerWaalsContact C-N 3.31Å; L14-V16 PolarHBondContact O-N 3.04Å; L14-N17 PolarHBondContact O-N 2.9Å; L14-C18 VanDerWaalsContact O-CB 3.27Å; L14-C18 WeakPolarHBondContact O-CB 3.4Å; L14-C18 PolarHBondContact O-N 3.4Å; L14-C18 PolarHBondContact O-SG 3.28Å; L14-C18 VanDerWaalsContact O-SG 3.33Å
15T65.9Low61.4Low59 Ų59115 Ų11536%0.36260%0.597SS.*Hα-helixtrans-70-26.4-178.355.30000113.5F11 L12 L498F11-T15 HydrophobicContact CD1-CG2 4.32Å; F11-T15 WeakPolarHBondContact O-CG2 3.33Å; F11-T15 PolarHBondContact O-N 2.94Å; F11-T15 PolarHBondContact O-OG1 3.43Å; L12-T15 PolarHBondContact O-N 2.93Å; L12-T15 PolarHBondContact O-OG1 2.83Å; T15-L498 HydrophobicContact CG2-CD2 4.09Å
16V65.6Low59.6Low106 Ų106115.2 Ų115.264%0.64261%0.606SS**Hα-helixtrans-86-33.7175.9175.10000112.4L12 L14L12-V16 WeakPolarHBondContact O-CB 3.17Å; L12-V16 VanDerWaalsContact O-CG2 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.45Å; L12-V16 PolarHBondContact O-N 3.3Å; L14-V16 VanDerWaalsContact C-N 3.31Å; L14-V16 PolarHBondContact O-N 3.04Å
17N58.6Low57.6Low122 Ų122114.6 Ų114.665%0.65261%0.605SS**Hα-helixtrans-84.6-14.7177.7-71.3-86.3000113.7I13 L14 Q19I13-N17 VanDerWaalsContact O-CB 3.3Å; I13-N17 WeakPolarHBondContact O-CB 3.35Å; I13-N17 PolarHBondContact O-N 3.26Å; I13-N17 PolarHBondContact O-ND2 3.38Å; L14-N17 PolarHBondContact O-N 2.9Å; N17-Q19 PolarHBondContact O-N 3.19Å
18C49.9Very low55.8Low100 Ų100115.1 Ų115.168%0.67661%0.614SS**  trans-75.248.6167.9-77.70000113L14L14-C18 VanDerWaalsContact O-CB 3.27Å; L14-C18 WeakPolarHBondContact O-CB 3.4Å; L14-C18 PolarHBondContact O-N 3.4Å; L14-C18 PolarHBondContact O-SG 3.28Å; L14-C18 VanDerWaalsContact O-SG 3.33Å
19Q47.7Very low54.1Low167 Ų167116.5 Ų116.578%0.7862%0.622SS**  trans-65.4130.7148.9-95.5-158-28.300107.7N17 S21N17-Q19 PolarHBondContact O-N 3.19Å; Q19-S21 PolarHBondContact O-N 3.21Å; Q19-S21 VanDerWaalsContact O-N 3.14Å
20P45.3Very low52.4Low89 Ų89118.5 Ų118.558%0.57864%0.637SS**  trans-63.4118.6165.427.9-31.6000107.2V22P20-V22 PolarHBondContact O-N 3.16Å
21S41.2Very low50.6Low98 Ų98119 Ų11969%0.68565%0.652SS**  trans-62102.9178.7580000109.3Q19 N23Q19-S21 PolarHBondContact O-N 3.21Å; Q19-S21 VanDerWaalsContact O-N 3.14Å; S21-N23 PolarHBondContact O-N 3.08Å
22V44.6Very low48.8Very low123 Ų123120.8 Ų120.875%0.74566%0.662SS**  trans-66.5103.5169.6-176.40000105.8P20 S24P20-V22 PolarHBondContact O-N 3.16Å; V22-S24 PolarHBondContact O-N 3.45Å
23N42.1Very low47.1Very low142 Ų142118.8 Ų118.876%0.75966%0.66SS**  trans-66.992.6168.1-85.5-8000107S21 R25S21-N23 PolarHBondContact O-N 3.08Å; N23-R25 PolarHBondContact O-N 2.61Å
24S35.2Very low45.5Very low114 Ų114118.9 Ų118.980%0.79767%0.665SS**  trans-64.674.6169.6-60.90000109.5V22 E26V22-S24 PolarHBondContact O-N 3.45Å; S24-E26 PolarHBondContact O-N 3.18Å
25R38.1Very low44Very low192 Ų192118.2 Ų118.273%0.72567%0.669SS**  trans-76.4113166.5-160.8173.8-164.3162.63.8106.1N23 Y27N23-R25 PolarHBondContact O-N 2.61Å; R25-Y27 HydrophobicContact CB-CE2 4.26Å; R25-Y27 HydrophobicContact CG-CE2 4.48Å; R25-Y27 VanDerWaalsContact O-CD2 3.28Å; R25-Y27 WeakPolarHBondContact O-CD2 3.48Å; R25-Y27 PolarHBondContact O-N 3.03Å
26E35.5Very low42.7Very low194 Ų194118.5 Ų118.591%0.90768%0.684SS**  trans-66.8100.2-171.6-159.6163.3106.700110.3S24S24-E26 PolarHBondContact O-N 3.18Å
27Y36.2Very low41.5Very low163 Ų163121.1 Ų121.164%0.63969%0.689SS**  trans-95.5134.2170.9-77.1-79.3000109.2R25R25-Y27 HydrophobicContact CB-CE2 4.26Å; R25-Y27 HydrophobicContact CG-CE2 4.48Å; R25-Y27 VanDerWaalsContact O-CD2 3.28Å; R25-Y27 WeakPolarHBondContact O-CD2 3.48Å; R25-Y27 PolarHBondContact O-N 3.03Å
28P42.2Very low40.4Very low103 Ų103122.6 Ų122.667%0.66969%0.689SS**  trans-69.2134.8-176.127.3-34.2000111.7T30P28-T30 PolarHBondContact O-N 3.04Å
29N37.4Very low39.9Very low123 Ų123125.2 Ų125.266%0.65869%0.694SS**  trans-75.457.7-177.9-70.7-43.3000113.6A31 Q32 A33N29-A31 VanDerWaalsContact C-N 3.26Å; N29-A31 PolarHBondContact O-N 3.14Å; N29-Q32 PolarHBondContact O-N 3.02Å; N29-A33 PolarHBondContact O-N 2.89Å
30T42.8Very low39.4Very low106 Ų106126 Ų12665%0.6570%0.697SS**Hα-helixtrans-61.7-31.2176.840.90000113P28 Q32P28-T30 PolarHBondContact O-N 3.04Å; T30-Q32 PolarHBondContact O-N 3.5Å
31A39.4Very low38.9Very low86 Ų86130.4 Ų130.471%0.71171%0.71SS**Hα-helixtrans-64.1-38.7178.400000113.8N29N29-A31 VanDerWaalsContact C-N 3.26Å; N29-A31 PolarHBondContact O-N 3.14Å
32Q37.9Very low38.4Very low149 Ų149134.5 Ų134.570%0.69672%0.718SS**Hα-helixtrans-83.1-29.2-177.6-71.4-172.3-29.900113.1N29 T30 G36N29-Q32 PolarHBondContact O-N 3.02Å; T30-Q32 PolarHBondContact O-N 3.5Å; Q32-G36 PolarHBondContact O-N 2.79Å
33A37.7Very low37.9Very low62 Ų62134.4 Ų134.451%0.51272%0.718SS.*Hα-helixtrans-64.2-40.7179.900000112.9N29N29-A33 PolarHBondContact O-N 2.89Å
34V41.3Very low37.5Very low98 Ų98135.3 Ų135.359%0.59472%0.723SS**Hα-helixtrans-73.5-42.6-176.4-179.60000111.8G36 Q37 F38V34-G36 VanDerWaalsContact C-N 3.3Å; V34-G36 PolarHBondContact O-N 3.48Å; V34-Q37 PolarHBondContact O-N 2.97Å; V34-F38 PolarHBondContact O-N 3.33Å
35S39.2Very low37.3Very low87 Ų87134.5 Ų134.561%0.60872%0.723SS**Hα-helixtrans-62.8-35.7-178-166.70000112.6Q37S35-Q37 PolarHBondContact O-N 2.97Å
36G38.2Very low37.3Very low65 Ų65133.3 Ų133.367%0.6773%0.731SS**Hα-helixtrans-72.8-19.717800000115.6Q32 V34Q32-G36 PolarHBondContact O-N 2.79Å; V34-G36 VanDerWaalsContact C-N 3.3Å; V34-G36 PolarHBondContact O-N 3.48Å
37Q40.2Very low37.5Very low160 Ų160130.3 Ų130.375%0.74873%0.726SS**Hα-helixtrans-98.1-20.9-177.1-70.5-172.1-39.500114V34 S35V34-Q37 PolarHBondContact O-N 2.97Å; S35-Q37 PolarHBondContact O-N 2.97Å
38F35.5Very low37.4Very low153 Ų153128.6 Ų128.667%0.67174%0.735SS**Hα-helixtrans-77.8-25.1-173.7-146.1-104.2000114V34 H40V34-F38 PolarHBondContact O-N 3.33Å; F38-H40 PolarHBondContact O-N 3.4Å
39M39.1Very low36.9Very low155 Ų155131.9 Ų131.976%0.76475%0.745SS**THydrogen-bonded Turntrans-81.713.9-174.5-60-66.7-85.100114.7
40H38Very low37Very low183 Ų183134.8 Ų134.885%0.84776%0.755SS**THydrogen-bonded Turntrans-129.517.8-177.6-92.918.3000114.4F38F38-H40 PolarHBondContact O-N 3.4Å
41Q34.3Very low36.5Very low182 Ų182136.5 Ų136.585%0.8576%0.76SS**  trans-117.517.6173-160.3136.936.100114.3
42E32.1Very low36.3Very low184 Ų184140.3 Ų140.386%0.8677%0.767SS**  trans-100.182.7165.3-77-164.386.300111.4
43T33.7Very low36Very low121 Ų121140.7 Ų140.774%0.74277%0.774SS**  trans-165.1152.2156.9-0.30000109.7
44N33.6Very low35.9Very low162 Ų162141.9 Ų141.987%0.86678%0.784SS**  trans70.867.7175-48.3-33.6000116.9
45A31.4Very low35.5Very low96 Ų96146.3 Ų146.379%0.79380%0.798SS**  trans-143.331.8166.500000114.2
46N37.5Very low35.2Very low168 Ų168147.2 Ų147.290%0.89880%0.804SS**  trans-115.881.2179.8-82.9-4.9000112.2
47T39.4Very low34.8Very low131 Ų131149.7 Ų149.780%0.80481%0.807SS**  trans-144.8139.8164.139.30000109.8
48P34.6Very low34.4Very low127 Ų127152.7 Ų152.783%0.82581%0.813SS**  trans-77.4167.5-176.733.1-36.2000113.2
49I32.7Very low34Very low171 Ų171150.5 Ų150.588%0.87782%0.816SS**  trans-80.1135.8-179.6-60163.8000110.3
50E38.2Very low33.7Very low185 Ų185148.2 Ų148.286%0.86482%0.816SS**  trans-136.2153.5162.1-164.6166-170.400109.5
51N33.1Very low33.3Very low142 Ų142144.9 Ų144.976%0.75981%0.813SS**  trans-67.8145.8-170.9-63.6-55.8000113.2
52L35.6Very low33.3Very low165 Ų165142.3 Ų142.386%0.86481%0.809SS**  trans-158.1121.8132.1-142.469.8000113
53D29.8Very low33.3Very low158 Ų158139.1 Ų139.185%0.84580%0.802SS**  trans-73.2125.2165.1-60.8-77.8000110.3
54A36.4Very low33.3Very low86 Ų86138.5 Ų138.571%0.71180%0.802SS**  trans-152.7107171.100000111.7S56A54-S56 PolarHBondContact O-N 3.24Å
55H33.9Very low33.2Very low191 Ų191137.7 Ų137.788%0.88480%0.798SS**  trans-63.9122.5168.6-77.6-102.1000110.6
56S32.1Very low33.4Very low107 Ų107141.1 Ų141.175%0.74880%0.803SS**  trans-107.579.9170.249.50000111.3A54 Y58A54-S56 PolarHBondContact O-N 3.24Å; S56-Y58 PolarHBondContact O-N 3.17Å; S56-Y58 VanDerWaalsContact O-N 3.1Å
57T29.9Very low33.4Very low117 Ų117140.4 Ų140.472%0.71880%0.8SS**  trans-65.1106.4173.3-57.30000110.7S59T57-S59 PolarHBondContact O-N 3.39Å
58Y32Very low33Very low223 Ų223142.8 Ų142.888%0.87580%0.801SS**  trans-9680173.2-125.8-83.3000111.3S56S56-Y58 PolarHBondContact O-N 3.17Å; S56-Y58 VanDerWaalsContact O-N 3.1Å
59S27.1Very low33Very low107 Ų107144.4 Ų144.475%0.74880%0.801SS**  trans-75.1127.5163.7-63.60000109.7T57T57-S59 PolarHBondContact O-N 3.39Å
60S32.7Very low33.1Very low107 Ų107141.4 Ų141.475%0.74880%0.796SS**  trans-131.3112.5164.7-162.60000108.8
61S29Very low32.6Very low112 Ų112141 Ų14178%0.78379%0.793SS**  trans-89.2132.6-179.548.70000110
62V34.2Very low32.9Very low129 Ų129140.1 Ų140.178%0.78280%0.795SS**  trans-119.7113.2164.4-179.80000107.3
63V31.4Very low32.8Very low117 Ų117138.9 Ų138.971%0.70980%0.795SS**  trans-88.2132.7168.3175.30000107.7
64S34.7Very low33Very low107 Ų107134.7 Ų134.775%0.74879%0.789SS**  trans-133.9124.6158.6-70.20000107.8
65D32.5Very low33.1Very low145 Ų145141.2 Ų141.278%0.77580%0.801SS**  trans-72.5140.8169.4-57.8-77.2000110.1
66D34.7Very low33Very low168 Ų168141.1 Ų141.190%0.89880%0.798SS**  trans-129.7111.9162.4-118.6-39.2000109
67N36.6Very low33.3Very low154 Ų154141.6 Ų141.682%0.82480%0.799SS**  trans-100122-167.5-133-22.8000110.1I69N67-I69 PolarHBondContact O-N 2.88Å
68H31.4Very low33.5Very low180 Ų180140.3 Ų140.383%0.83380%0.795SS**  trans-59.6127.9171.6-91.8-89.3000111
69I34.4Very low33.5Very low161 Ų161140 Ų14083%0.82679%0.793SS**  trans-164.7124143.2-100.7146.3000112.4N67N67-I69 PolarHBondContact O-N 2.88Å
70S35.2Very low34Very low109 Ų109143.2 Ų143.276%0.76280%0.801SS**  trans22.4127.2151.4-47.70000124.4
71H28.1Very low33.8Very low175 Ų175143.9 Ų143.981%0.8180%0.797SS**  trans-26.7157.7137.8-78.3-59.5000116.6
72P38.6Very low34.1Very low124 Ų124143.8 Ų143.881%0.80580%0.796SS**  -151.9-167.352.743.3-21.1000119
73T34.1Very low34.2Very low140 Ų140142 Ų14286%0.85979%0.789SS**  trans-81.4158.2-171.145.50000115.9
74G34.7Very low34.2Very low70 Ų70144 Ų14472%0.72279%0.79SS**  trans-177.792.7170.200000121
75K37.3Very low34.2Very low222 Ų222147.2 Ų147.297%0.96580%0.798SS**  trans73.3159.7145.4-57.7178.9-178.1176.40121
76K32.1Very low34.2Very low190 Ų190147.8 Ų147.883%0.82680%0.796SS**  trans-144.1139.5-173.2-176.4-173.3-173.1-179.90109.2
77P38.8Very low34.2Very low116 Ų116148.5 Ų148.575%0.75379%0.794SS**  -143.4139.812528.3-10.2000111.7
78S34.7Very low34.2Very low91 Ų91145.3 Ų145.364%0.63679%0.789SS**  cis90.9116.843.677.20000115.8
79Y31.8Very low34.1Very low216 Ų216142.1 Ų142.185%0.84779%0.787SS**  trans71.7124157.5-99-94.1000121.4
80L37.2Very low34.5Very low174 Ų174139.4 Ų139.491%0.91178%0.779SS**  -163162.1115.8-104.8165.6000110.8
81D29.1Very low34.3Very low122 Ų122145 Ų14565%0.65278%0.784SS**  trans-141.3150-170.5168.338.1000110.4
82S34.6Very low34.6Very low109 Ų109141.2 Ų141.276%0.76278%0.777SS**  trans-174.496.7161.4-810000114.6
83S35.7Very low34.5Very low91 Ų91144.4 Ų144.464%0.63678%0.781SS**  52.6121.8118.6-48.10000123.8
84H32.1Very low34.4Very low161 Ų161144.9 Ų144.975%0.74578%0.778SS**  trans52.5129.5130.9-76.8-85.2000123.9
85L34.4Very low34.5Very low173 Ų173147.3 Ų147.391%0.90678%0.782SS**  -158.7151.7120.2-111.7155000111.9
86H33.3Very low34.2Very low158 Ų158141.8 Ų141.873%0.73177%0.771SS**  trans-108.4156.1174.5-83.8-137.6000109.8
87E34.6Very low34.2Very low182 Ų182137.6 Ų137.685%0.8577%0.766SS**  trans-158.8142.1139.2-160.357112.900114.5
88A36.1Very low33.9Very low88 Ų88140.9 Ų140.973%0.72777%0.768SS**  trans39.4152.9158.100000125.8
89S30.2Very low33.9Very low113 Ų113142.3 Ų142.379%0.7977%0.773SS**  trans-123.9-159.3172.8-153.60000107.5
90P41.7Very low33.6Very low103 Ų103135.6 Ų135.667%0.66977%0.77SS**  cis-144.5-166.3-3.743.2-21.8000117.2
91R32.3Very low33.4Very low227 Ų227135.8 Ų135.886%0.85777%0.766SS**  trans91.999.9143.5-93.2-173.6169142.6-1.6122.8
92S32.9Very low33.4Very low96 Ų96135.3 Ų135.367%0.67177%0.772SS**  53.4123.2116.465.90000122.7
93Q37Very low33.4Very low191 Ų191136.7 Ų136.789%0.89377%0.77SS**  -155.5168.1126.5-113.516813.800111.9
94D33.1Very low33.2Very low149 Ų149139.8 Ų139.880%0.79777%0.774SS**  trans-90.7162.6-154.2-69.6-79.2000116.9
95P35.1Very low33.1Very low121 Ų121142 Ų14279%0.78678%0.778SS**  trans-90.1148.6-175.735.2-35.6000114.4
96S32.6Very low33.1Very low106 Ų106139.4 Ų139.474%0.74177%0.769SS**  trans-158.8134.4166.362.20000114.7
97S31.2Very low32.9Very low103 Ų103140.4 Ų140.472%0.7277%0.774SS**  trans68.7158.6158.680.70000117
98F32.7Very low32.8Very low184 Ų184135.4 Ų135.481%0.80777%0.77SS**  cis-126142.46.9-120.9-96.9000112
99V33.6Very low32.4Very low121 Ų121138.2 Ų138.273%0.73377%0.773SS**  trans22.6127.4144.4-178.80000119.4
100G26.8Very low32.6Very low76 Ų76138.6 Ų138.678%0.78478%0.775SS**  trans-91.2151.1159.400000112.4
101E32.6Very low32.2Very low177 Ų177142.1 Ų142.183%0.82778%0.78SS**  trans-121.2110.9-179.6-166.5170.5155.300110.8I103E101-I103 PolarHBondContact O-N 3.29Å
102S29.8Very low32.3Very low112 Ų112139.2 Ų139.278%0.78378%0.776SS**  trans-86.697.9178.156.90000110.5Q104S102-Q104 PolarHBondContact O-N 2.95Å
103I34.4Very low32.4Very low139 Ų139140.1 Ų140.171%0.71378%0.782SS**  trans-71.2101175.5-59.5-178.5000109.2E101E101-I103 PolarHBondContact O-N 3.29Å
104Q30.5Very low32.2Very low156 Ų156139 Ų13973%0.72978%0.777SS**  trans-90.4117.9-176.7-173.5177.213.300110.4S102 T106S102-Q104 PolarHBondContact O-N 2.95Å; Q104-T106 PolarHBondContact O-N 2.89Å
105Y31.1Very low32.1Very low208 Ų208137.8 Ų137.882%0.81678%0.777SS**  trans-69.788.6176.7-70.4-85.3000111.9H107Y105-H107 PolarHBondContact O-N 3.35Å
106T33.4Very low32.1Very low118 Ų118141.1 Ų141.172%0.72478%0.782SS**  trans-80102.2175.152.70000111.5Q104 G108Q104-T106 PolarHBondContact O-N 2.89Å; T106-G108 PolarHBondContact O-N 2.9Å
107H30.1Very low32Very low179 Ų179144.2 Ų144.283%0.82978%0.782SS**  trans-66.396.4170.5-77.2-98.6000111.4Y105 L109Y105-H107 PolarHBondContact O-N 3.35Å; H107-L109 PolarHBondContact O-N 3.27Å
108G31.7Very low32.3Very low76 Ų76147 Ų14778%0.78479%0.789SS**  trans-83.595.3175.600000112.7T106T106-G108 PolarHBondContact O-N 2.9Å
109L27.9Very low32.1Very low148 Ų148144.9 Ų144.978%0.77579%0.786SS**  trans-67.5129.5167.3-112.276.6000110.5H107H107-L109 PolarHBondContact O-N 3.27Å
110S34.2Very low32.1Very low120 Ų120147.5 Ų147.584%0.83979%0.794SS**  trans-121.5145.8155-168.20000109.4
111K32.6Very low32.1Very low178 Ų178154.7 Ų154.777%0.77480%0.798SS**  trans-119.3163.2-173-71.4-178.6175.5179.30111.1
112H34.8Very low32.1Very low165 Ų165154.1 Ų154.176%0.76480%0.798SS**  trans93.288.1144.6-137.2-62.7000119.4E114H112-E114 IonicContact CE1-OE2 3.97Å
113S34.9Very low32.1Very low116 Ų116153.8 Ų153.881%0.81180%0.796SS**  trans-154.7141.2136.656.80000109.7
114E32.8Very low31.8Very low168 Ų168151.8 Ų151.879%0.78580%0.795SS**PPolyproline II helixtrans-86.3154-164.9-71.4158.678.600115.2H112H112-E114 IonicContact CE1-OE2 3.97Å
115P30.9Very low32Very low122 Ų122152.5 Ų152.579%0.79280%0.798SS**PPolyproline II helixtrans-88123.2171.533.9-31.2000111.8
116Q36.2Very low32.2Very low191 Ų191149.6 Ų149.689%0.89380%0.796SS**PPolyproline II helixtrans-82.4120.5173.1-160.1174.338.300111
117K30.5Very low32Very low171 Ų171149.2 Ų149.274%0.74380%0.798SS**PPolyproline II helixtrans-63.1142.6173-71.6171176.1167.50111.1
118N36.2Very low32.3Very low162 Ų162146.7 Ų146.787%0.86680%0.795SS**  trans-138.6118.4142.2-99.6-36.3000109.5
119N29.2Very low32.3Very low139 Ų139147.8 Ų147.874%0.74379%0.791SS**  trans-94.2127.1177.2-66.8-18.6000109.1
120I33.3Very low32.6Very low177 Ų177147 Ų14791%0.90879%0.788SS**  trans-124.5126.1151.3-60.6-176.7000107.5
121R27.5Very low32.5Very low227 Ų227148 Ų14886%0.85779%0.788SS**  trans-127.7132.2-179170.5-161.7-74.4-162.6-4.1106.6
122I31.2Very low32.4Very low164 Ų164143 Ų14384%0.84178%0.78SS**  trans163.3139.4162-89.9147.7000105.6
123S31.2Very low32.3Very low105 Ų105143.7 Ų143.773%0.73478%0.781SS**  cis-155161.7-35.658.70000107.6
124S28.7Very low32.4Very low98 Ų98144.5 Ų144.569%0.68577%0.772SS**  trans-70.6-175.8166.9-48.20000111.5
125H33.6Very low32.6Very low170 Ų170143.8 Ų143.879%0.78777%0.768SS**  trans87.3137.6-177.2-63.5-87.6000114.2
126D35.1Very low32.7Very low148 Ų148144 Ų14479%0.79176%0.763SS**  cis-136.8172.210.4-95.6-42.9000114.5
127S30.3Very low33.2Very low109 Ų109139.7 Ų139.776%0.76275%0.751SS**  trans-135.8114-17859.40000113.6
128V35.3Very low33.4Very low127 Ų127138.8 Ų138.877%0.7775%0.754SS**  trans-148.8118.9173.3-171.60000105.9
129S31.2Very low33.5Very low99 Ų99137.1 Ų137.169%0.69275%0.75SS**  cis81.9149.248.9-162.20000114.5
130N35.6Very low33.6Very low132 Ų132140.6 Ų140.671%0.70675%0.754SS**  trans82.5120171.1-51.3-14.1000114.7
131V31.4Very low33.7Very low140 Ų140138.6 Ų138.685%0.84874%0.744SS**  91.2137.256.2157.20000112.4
132A31.2Very low34.1Very low73 Ų73134.4 Ų134.460%0.60374%0.738SS**  cis-174163.5-24.900000110.8
133K32.4Very low34.3Very low180 Ų180134.1 Ų134.178%0.78373%0.733SS**  trans65.4166.5161.8-56.4162.9164.8-171.70116
134H36.9Very low34.6Very low132 Ų132134.9 Ų134.961%0.61173%0.734SS**  cis-158.5153.419.7-111.1-68.2000111.7
135H36.1Very low34.9Very low153 Ų153139.1 Ų139.171%0.70874%0.742SS**  trans56158147.6-68.7-50.2000121.5
136N34.6Very low35Very low128 Ų128134.6 Ų134.668%0.68474%0.742SS**  cis-154.8163.9-8.4-130.320.6000111.6
137P45Very low35Very low100 Ų100132.8 Ų132.865%0.64974%0.741SS**  trans-101.2170.1168.639.5-33.3000113.7
138N35.8Very low35.3Very low151 Ų151133.6 Ų133.681%0.80774%0.737SS**  trans172.3171.1143.1-95.4-15.9000115.9
139V37Very low35.5Very low128 Ų128134.9 Ų134.978%0.77673%0.734SS**  trans81.3113.5165.4-158.10000115.3
140Y31.3Very low35.6Very low212 Ų212136.9 Ų136.983%0.83174%0.737SS**  71.1147.860-91.9-101.5000114.7
141I36.6Very low35.7Very low135 Ų135135.8 Ų135.869%0.69274%0.74SS**  cis-104.2-1309.1-31.7-179.9000111.5
142D36.3Very low35.7Very low139 Ų139134 Ų13474%0.74373%0.734SS**  cis-156.2176.63.1-139.8-49.9000111.6
143E34.2Very low35.9Very low157 Ų157137.9 Ų137.973%0.73474%0.743SS**  trans-114.1159.4-167.8-57.4-173.2137.700114.5
144T38.3Very low36.1Very low122 Ų122135.3 Ų135.375%0.74874%0.741SS**  178.7143.974.833.20000115.2
145H35.7Very low35.8Very low186 Ų186135.9 Ų135.986%0.86175%0.749SS**  trans23.8132.2145.5-73-93.5000124.4
146G35.3Very low35.9Very low76 Ų76137.5 Ų137.578%0.78476%0.757SS**  trans179.2146155.900000112.6
147S34.4Very low35.8Very low109 Ų109137.9 Ų137.976%0.76276%0.759SS**  trans-170.2169.4-177.1-164.80000115.6
148N36.6Very low35.3Very low126 Ų126141 Ų14167%0.67476%0.764SS**  trans102.5143.7152.6-62.5-1.4000121.5
149H38.8Very low35.3Very low154 Ų154139 Ų13971%0.71375%0.754SS**  trans76.4123.2167.1-58.9-47.7000118.2
150D34.4Very low35.2Very low142 Ų142140 Ų14076%0.75975%0.75SS**  71.9135.254.7-60.3-51.2000111.9
151S36.9Very low35.4Very low109 Ų109136.8 Ų136.876%0.76275%0.753SS**  cis-157.7152.77.540.30000107.6
152S32.7Very low35.2Very low103 Ų103133.6 Ų133.672%0.7275%0.753SS**  87.3136.452-156.40000115.8
153I33.9Very low35.5Very low154 Ų154133 Ų13379%0.7976%0.757SS**  trans69.3139.2173.9-24.4-176000112.8
154V36.3Very low35.5Very low125 Ų125130.9 Ų130.976%0.75876%0.76SS**  cis-153.614847.2170.50000113.1
155N31.3Very low35.6Very low144 Ų144132.6 Ų132.677%0.7776%0.759SS**  trans-91.7155.5169.8-50.9-32.9000111.9
156Q38.1Very low35.6Very low188 Ų188130.1 Ų130.188%0.87975%0.752SS**  trans-166.8143.9134.5-115.71650.600115.1
157D32Very low35.7Very low135 Ų135131.6 Ų131.672%0.72275%0.745SS**  trans-75.4161169.7-48.9-99000112.6
158H36.2Very low35.7Very low165 Ų165136.4 Ų136.476%0.76475%0.748SS**  175134.1109-99.7-81.4000114.7
159D34.7Very low35.8Very low109 Ų109136.3 Ų136.358%0.58375%0.752SS**  trans57.9113.3136.4-70.7-28.8000126
160Q35.4Very low35.4Very low149 Ų149133 Ų13370%0.69675%0.747SS**  72.9151.3114.4-65.7179.155.600123.8
161T34.8Very low35.5Very low145 Ų145135.2 Ų135.289%0.8976%0.755SS**  trans65.1143.5164.249.10000118.4
162G32.4Very low35.4Very low68 Ų68137.8 Ų137.870%0.70175%0.754SS**  cis-169.9168.4-3.200000112.2
163P42.8Very low35.5Very low128 Ų128142.9 Ų142.983%0.83176%0.764SS**  trans-107.1156.6-158.339.2-35.3000116.8
164S35.4Very low35.3Very low112 Ų112143.9 Ų143.978%0.78376%0.762SS**  trans-177.8150.3162.6-87.40000109.8
165H38.9Very low35.2Very low158 Ų158143 Ų14373%0.73176%0.757SS**  cis-165.5-176.3-18.3-142.4-104000108
166D37Very low35.3Very low133 Ų133141.7 Ų141.771%0.71176%0.755SS**  trans71.4148.9152.8-68.8-8.5000121.3
167V37.4Very low35.2Very low108 Ų108140.3 Ų140.366%0.65575%0.748SS**  cis-167.4140.5-28.1113.70000111
168Y34.4Very low35.2Very low209 Ų209140.8 Ų140.882%0.8275%0.751SS**  trans61.5162.1158.1-82.9-133.3000119.3
169T36.9Very low35Very low124 Ų124137.4 Ų137.476%0.76175%0.751SS**  cis-139.2155.83.6-31.50000112.3
170S30.6Very low35Very low86 Ų86140.8 Ų140.860%0.60176%0.763SS**  trans-77.6157.2166.1171.30000113.4
171M37Very low35Very low188 Ų188141.4 Ų141.493%0.92677%0.766SS**  trans-152.2118.6147.3-110.3-63.4-151.300111.4
172H35.3Very low34.9Very low162 Ų162141.9 Ų141.975%0.7576%0.762SS**  trans-82.3148.8176.4-83.2-94.1000112.7
173K34.6Very low35.4Very low211 Ų211144 Ų14492%0.91776%0.763SS**  -144.7155.7128.8-141.5164.8-175.5175.60112.1
174K29.6Very low35.1Very low174 Ų174143.7 Ų143.776%0.75776%0.761SS**  trans-135.8161.7-162.4-177.8-170.4173.8-178.50109.6
175T33.9Very low35.1Very low107 Ų107142.6 Ų142.666%0.65676%0.759SS**  trans71.8151.7162.518.30000114.8
176T34.5Very low35.7Very low116 Ų116141 Ų14171%0.71276%0.762SS**  cis-153.7134.913.8-16.20000112
177H34.4Very low35.6Very low160 Ų160141.9 Ų141.974%0.74177%0.767SS**  trans56.3153.3133.2-93.5-105.9000125.9
178N33.9Very low35.6Very low145 Ų145144.6 Ų144.678%0.77578%0.778SS**  trans83.7118.6152-681.4000119.9
179A31.1Very low35.7Very low94 Ų94139.7 Ų139.778%0.77777%0.772SS**  trans-75.9158.516200000111.5
180Q35Very low35.4Very low179 Ų179141.6 Ų141.684%0.83678%0.776SS**  trans-170.9163.4139.5-109166.6-1300113.5
181Q34.9Very low35.9Very low162 Ų162145.5 Ų145.576%0.75779%0.785SS**  trans65.1123.1158.7-106.464.1-13.600122.3
182I32.5Very low35.6Very low156 Ų156142.8 Ų142.880%0.877%0.774SS**PPolyproline II helixtrans-72.1137.9156.3-60.6155.3000109.4
183P43.1Very low35.7Very low111 Ų111142.5 Ų142.572%0.72178%0.775SS**PPolyproline II helixtrans-88.8138.8161.933.7-30.5000111.6
184P36.9Very low35.8Very low123 Ų123137.1 Ų137.180%0.79976%0.764SS**PPolyproline II helixtrans-85.8164-177.235.1-36.5000113.8
185A35.7Very low36Very low88 Ų88140.2 Ų140.273%0.72777%0.771SS**PPolyproline II helixtrans-78147.8173.500000112.8
186P50.2Low36.1Very low125 Ų125138.5 Ų138.581%0.81278%0.775SS**PPolyproline II helixtrans-88.7119.2169.333.2-30.1000111.6
187N36.8Very low36.2Very low152 Ų152141.4 Ų141.481%0.81378%0.78SS**PPolyproline II helixtrans-73.7144.8161.5-66.3-42.7000109.9
188N36.2Very low36.4Very low164 Ų164142.4 Ų142.488%0.87779%0.785SS**  trans-162.6159.2139.7-104.2-14.1000111.5
189P37.2Very low36.6Very low106 Ų106140.2 Ų140.269%0.68878%0.779SS**  trans-106.8167.9-13939.3-38.1000116.5
190L30.7Very low36.7Very low164 Ų164141.2 Ų141.286%0.85978%0.78SS**  trans-45.4136.8164.1-170.477.8000112.6
191H40Very low36.9Very low168 Ų168138.9 Ų138.978%0.77878%0.78SS**  trans-134.5110.4163.4-124-61.6000110.5
192D31.6Very low36.9Very low132 Ų132134.9 Ų134.971%0.70678%0.783SS**  trans-87.4133.4165.2172.719.2000109
193M37Very low37Very low156 Ų156131.1 Ų131.177%0.76878%0.783SS**  trans-166.2111.3147.2-116.8-179.9-7100114.2
194S37.5Very low36.8Very low97 Ų97134.9 Ų134.968%0.67879%0.791SS**  trans43.3106.4131.1-70.20000121.8
195R33Very low36.7Very low239 Ų239134.1 Ų134.190%0.90279%0.788SS**  61.598.5106.8-163.9-174.2-156.51566.7119.8
196G35.6Very low36.7Very low72 Ų72138.6 Ų138.674%0.74279%0.793SS**  trans171.5109.9156.600000109.7
197Q37.4Very low36Very low176 Ų176139.9 Ų139.982%0.82279%0.793SS**  cis93.4121.639.9-165.3170.65.800113.2
198Q38.7Very low35.9Very low182 Ų182142.1 Ų142.185%0.8580%0.796SS**  trans82.3151.3178.4-75.4-166.9-115.300119.8
199P37.9Very low35.8Very low99 Ų99141.3 Ų141.364%0.64379%0.789SS**  trans-140.7172.2-144.143.3-24.6000118.2
200S33.8Very low35.5Very low114 Ų114147.4 Ų147.480%0.79780%0.8SS**  trans66169.1148.7-72.90000119.3
201P39Very low35.8Very low130 Ų130146.8 Ų146.884%0.84479%0.79SS**  cis-126.7171.8-25.433.2-17.3000113.2
202G35.3Very low35.3Very low79 Ų79145.8 Ų145.881%0.81479%0.791SS**  trans167.590.2159.700000120.7
203G34.1Very low35.4Very low77 Ų77147.6 Ų147.679%0.79480%0.799SS**  trans91.415313700000120.7
204Q38.8Very low35.4Very low190 Ų190146 Ų14689%0.88880%0.798SS**  trans63.688166.9-56.9-175.912.400114.6
205S34Very low35Very low106 Ų106148.7 Ų148.774%0.74180%0.804SS**  cis73.59246.2-43.20000114
206H36.8Very low34.9Very low182 Ų182144.1 Ų144.184%0.84380%0.797SS**  trans-145.797.6157.2-111.1-80.5000108.9
207D33.8Very low34.6Very low152 Ų152145.5 Ų145.581%0.81380%0.795SS**  trans-75.4139.1171.4-78.1-61.3000110.8
208F36.4Very low34.3Very low200 Ų200147.6 Ų147.688%0.87780%0.795SS**  trans-130.9127.9149.8-99.3-84.3000108.2Y210F208-Y210 PolarHBondContact O-N 3.33Å
209M32.5Very low34Very low147 Ų147147.5 Ų147.572%0.72480%0.8SS**  trans-66.1129.1-168.8-66.6-16776.500112.6K211M209-K211 HydrophobicContact CE-CB 4.04Å; M209-K211 HydrophobicContact CE-CD 3.89Å; M209-K211 HydrophobicContact CE-CG 3.94Å; M209-K211 HydrophobicContact SD-CD 4.38Å
210Y31.7Very low33.8Very low233 Ų233148 Ų14891%0.91481%0.806SS**  trans-79.1134.7134.2-121.1-98.5000107.7F208F208-Y210 PolarHBondContact O-N 3.33Å
211K36.3Very low33.6Very low152 Ų152151.3 Ų151.366%0.66181%0.808SS**  trans-132142.9176.6-165172.5-175.1175.90109.8M209 I213M209-K211 HydrophobicContact CE-CB 4.04Å; M209-K211 HydrophobicContact CE-CD 3.89Å; M209-K211 HydrophobicContact CE-CG 3.94Å; M209-K211 HydrophobicContact SD-CD 4.38Å; K211-I213 PolarHBondContact O-N 3.5Å
212D31.1Very low33.1Very low147 Ų147148.8 Ų148.879%0.78681%0.807SS**  trans-59.1130.3-169.5-45.2-95.5000112.7
213I33.1Very low32.9Very low170 Ų170153.4 Ų153.487%0.87281%0.807SS**  trans-116.2109.4155.5-60.2-174.7000106.7K211K211-I213 PolarHBondContact O-N 3.5Å
214V36.4Very low33Very low123 Ų123155.8 Ų155.875%0.74581%0.806SS**  trans-70.4152.8177.2174.50000109.9D216V214-D216 PolarHBondContact O-N 3.01Å
215L29.5Very low32.8Very low153 Ų153152.8 Ų152.880%0.80180%0.803SS**  trans-35.7128.2167.6-104.665.2000113.5
216D30.7Very low32.7Very low142 Ų142150.9 Ų150.976%0.75980%0.8SS**  trans-132.7136.4139-164-2.5000109.4V214V214-D216 PolarHBondContact O-N 3.01Å
217S30.3Very low32.5Very low101 Ų101146.8 Ų146.871%0.70680%0.797SS**  trans-108.452.1-164.4-62.90000111.7
218R29.6Very low32.3Very low220 Ų220150 Ų15083%0.8380%0.798SS**  trans-146.577.3-176.8-85.8170.1-169.2-106.6-2.3114.1
219L33.6Very low32.4Very low181 Ų181147.1 Ų147.195%0.94879%0.79SS**  trans-148.294.4152.6-14679000111.5
220S32Very low32.5Very low109 Ų109146.3 Ų146.376%0.76279%0.789SS**  trans-93.7158.2174.3-65.80000111.4
221Q29.8Very low32.7Very low183 Ų183144 Ų14486%0.85579%0.786SS**  trans68.566163.5-65.4174.9-3100117.4
222G29.9Very low32.9Very low78 Ų78142.1 Ų142.180%0.80479%0.79SS**  trans-94.290.2147.200000110.4V224G222-V224 PolarHBondContact O-N 3.29Å
223Q30.5Very low33Very low175 Ų175140.6 Ų140.682%0.81879%0.788SS**  trans-86.494.1-174.3-174.896.10.900111.6
224V36.4Very low32.9Very low128 Ų128138.4 Ų138.478%0.77678%0.783SS**  trans-81.1135.7168.7-175.20000109.7G222 G226G222-V224 PolarHBondContact O-N 3.29Å; V224-G226 PolarHBondContact O-N 2.89Å
225P34.1Very low32.7Very low126 Ų126139.4 Ų139.482%0.81878%0.784SS**  trans-70.982.3-178.4-20.634.6000114.2A227P225-A227 PolarHBondContact O-N 3.43Å
226G32.3Very low32.7Very low66 Ų66142.3 Ų142.368%0.6879%0.786SS**  trans-68116.6169.300000111.6V224 R228V224-G226 PolarHBondContact O-N 2.89Å; G226-R228 PolarHBondContact O-N 3.45Å; G226-R228 VanDerWaalsContact O-N 3.11Å
227A33.6Very low32.7Very low96 Ų96145.9 Ų145.979%0.79380%0.795SS**  trans-66107.3177.900000111.1P225 I229P225-A227 PolarHBondContact O-N 3.43Å; A227-I229 PolarHBondContact O-N 3.01Å
228R29.4Very low32.8Very low221 Ų221149.4 Ų149.483%0.83480%0.8SS**  trans-73.795.2172.4-74.1-168.3-177.1-170.73.1110.6G226 N230G226-R228 PolarHBondContact O-N 3.45Å; G226-R228 VanDerWaalsContact O-N 3.11Å; R228-N230 PolarHBondContact O-N 2.91Å
229I36.7Very low32.9Very low138 Ų138146.3 Ų146.371%0.70880%0.8SS**  trans-75.5112.5159-57.3-179.7000107.1A227 Q231A227-I229 PolarHBondContact O-N 3.01Å; I229-Q231 PolarHBondContact O-N 2.95Å
230N36.5Very low32.8Very low131 Ų131141.4 Ų141.470%0.70179%0.793SS**  trans-77.8114.7178.9-59.5-61000109.6R228 P232R228-N230 PolarHBondContact O-N 2.91Å; N230-P232 WeakPolarHBondContact O-CD 3.36Å
231Q35.8Very low32.8Very low183 Ų183144.8 Ų144.886%0.85580%0.801SS**PPolyproline II helixtrans-65.9124.4159.2-74.2-179.8-29.500108.4I229I229-Q231 PolarHBondContact O-N 2.95Å
232P38.7Very low32.8Very low114 Ų114143.6 Ų143.674%0.7480%0.801SS**PPolyproline II helixtrans-68.8143.2173.629.2-33.5000109.8N230 T234N230-P232 WeakPolarHBondContact O-CD 3.36Å; P232-T234 PolarHBondContact O-N 3.47Å
233P33.2Very low32.8Very low115 Ų115145.6 Ų145.675%0.74780%0.802SS**PPolyproline II helixtrans-69.7133.3179.528.7-34.2000110.9
234T32.5Very low32.8Very low123 Ų123146.3 Ų146.376%0.75581%0.808SS**SBendtrans-56.9148.1166.850.60000111.1P232P232-T234 PolarHBondContact O-N 3.47Å
235N32.5Very low32.6Very low144 Ų144147 Ų14777%0.7781%0.812SS**  trans100.752.1175.1-50.9-48.8000118.4
236Y29.3Very low32.4Very low215 Ų215145.4 Ų145.484%0.84380%0.804SS**  trans-142.363.6161.4-88-68.5000114.7
237F30.2Very low32.6Very low217 Ų217149.4 Ų149.495%0.95281%0.81SS**  trans-145.395.1156.1-92.2-68.4000111.5
238H33.2Very low32.5Very low174 Ų174152.7 Ų152.781%0.80681%0.808SS**  trans-151.1129.8162.5-136-70.4000109.3
239N31.7Very low32.8Very low156 Ų156149.9 Ų149.983%0.83481%0.81SS**SBendtrans70.4123.5178.2-40.9-27.1000114.5
240G31.2Very low32.7Very low77 Ų77148.6 Ų148.679%0.79481%0.81SS**  trans146.91.8174.700000117.4D242G240-D242 PolarHBondContact O-N 3.14Å
241L31.1Very low32.5Very low181 Ų181150.9 Ų150.995%0.94882%0.817SS**  trans-99.139.6-176.8-146.898.2000114.1
242D30.1Very low32.5Very low158 Ų158149.8 Ų149.885%0.84582%0.816SS**SBendtrans-128.8148.6169.7-88-59000108.9G240G240-D242 PolarHBondContact O-N 3.14Å
243S30.5Very low32.1Very low119 Ų119149.4 Ų149.483%0.83282%0.816SS**  trans67.973.2-178.6-175.30000117.1
244M30.6Very low32.4Very low191 Ų191152.6 Ų152.694%0.94182%0.821SS**  trans-150.490.1139-111.4171.3-166.300111.3
245V31.3Very low32.4Very low143 Ų143155.7 Ų155.787%0.86782%0.819SS**  trans-133.6143.1170.5170.30000106.8
246S30.5Very low32.6Very low92 Ų92160.3 Ų160.364%0.64383%0.825SS**  trans70.8125.7-166.7-159.10000111.8
247N35.7Very low33Very low149 Ų149156.9 Ų156.980%0.79782%0.817SS**  -141.1159.659.7-70.4-32.4000114.8
248H32.5Very low33Very low165 Ų165155.4 Ų155.476%0.76481%0.811SS**  trans-77157.1163.4-86-103.6000111.1
249D34.6Very low33.2Very low163 Ų163156 Ų15687%0.87281%0.813SS**  -171.1139.4114.2-90.6-26.8000111.1
250P34.7Very low33.3Very low110 Ų110152.2 Ų152.271%0.71480%0.804SS**  trans-128.3105.1179.437.2-20000114.2
251E32.6Very low33.5Very low179 Ų179155.9 Ų155.984%0.83681%0.805SS**  trans-155.7127.6162.6-132.1-165120.300113.7
252L36.7Very low33.9Very low161 Ų161157 Ų15784%0.84380%0.802SS**  -167.7142.1111.1-154.271000109.6
253S29.8Very low34.1Very low105 Ų105157 Ų15773%0.73480%0.797SS**  trans-147.1128.517570.60000113.7
254E38.2Very low34.6Very low183 Ų183156.1 Ų156.186%0.85579%0.789SS**  trans-132.8110.6159.2-73.9-161.381.700108
255R32.7Very low34.6Very low187 Ų187156.2 Ų156.271%0.70678%0.778SS**  92.6100.457.9178.9-174.1-91.1-144.50.1112
256R36.6Very low34.9Very low241 Ų241159.3 Ų159.391%0.90978%0.781SS**  trans-166.577.1150.3-103.9-174.1-74172.1-3.2106.5
257H38.5Very low35.3Very low143 Ų143164.3 Ų164.366%0.66279%0.785SS**  99.9135.879.1-87.8-32.9000112.5
258F29.3Very low35.4Very low187 Ų187163.5 Ų163.582%0.8278%0.781SS**  trans-84.7152.9-171-84.1-120.1000112.3
259H39.1Very low35.9Very low185 Ų185161 Ų16186%0.85678%0.78SS**  -172.4170.794.6-103.4-79.4000112
260A33.2Very low36.2Very low77 Ų77160 Ų16064%0.63677%0.774SS**  trans-125.3-175.7-163.800000113.8
261D35.9Very low36.4Very low154 Ų154161.8 Ų161.882%0.82477%0.773SS**  trans102.1137159.4-59.9-29.1000120.3
262K38.8Very low36.8Very low205 Ų205158.8 Ų158.889%0.89176%0.763SS**  trans91.491.2163.1-60.4178.7-175.1173.50120.3
263E34.4Very low36.9Very low158 Ų158158 Ų15874%0.73877%0.765SS**  trans-60.3-179.6139-118.8-149.691.200111.9
264P41.1Very low37.3Very low100 Ų100156.1 Ų156.165%0.64976%0.762SS**  cis-143.8169.221.541.9-21.6000120.5
265R31.4Very low37.3Very low193 Ų193153.6 Ų153.673%0.72877%0.765SS**  trans35.4131.6145.5-68.7-168.7-75.2179.4-8.4124.7
266F37.3Very low37.2Very low208 Ų208155.8 Ų155.891%0.91277%0.773SS**  -130.5118.1125.8-83.3-101.3000106.7
267R38.5Very low37.2Very low197 Ų197148.6 Ų148.674%0.74376%0.76SS**  59.4105.970.9-101.5-176.6162.7178.7-1.8113.2
268D38.3Very low37.1Very low133 Ų133148.4 Ų148.471%0.71176%0.759SS**  cis111.4158.249.3-86.8-7.4000108.2
269P42.9Very low37.3Very low113 Ų113150.2 Ų150.273%0.73476%0.761SS**  cis-143.3-171.2-36.341.5-23.8000114.2
270N39.9Very low37Very low141 Ų141150.2 Ų150.275%0.75476%0.761SS**  trans75.1138.9159.2-13221.4000116.3
271E40Very low37.1Very low148 Ų148153.7 Ų153.769%0.69277%0.774SS**  cis-152.1156.438.4-96.7-165.615300116.5
272N40Very low37Very low115 Ų115149.3 Ų149.362%0.61577%0.766SS**  trans70.9120.8144.9-70.2-39.4000124.3
273T40Very low36.8Very low145 Ų145147.6 Ų147.689%0.8977%0.767SS**  trans63.4134.8147.655.40000120.6
274G36.6Very low36.9Very low66 Ų66149.5 Ų149.568%0.6878%0.776SS**  cis162.9158.3-6.600000112.7
275S38.6Very low36.8Very low130 Ų130150.2 Ų150.291%0.90978%0.783SS**  trans82146.7-172.6-49.60000115
276R30.7Very low36.9Very low232 Ų232146 Ų14688%0.87578%0.783SS**  cis-161.7135.7-17.4176.4177.3-171.11702.6110.2
277S37Very low36.8Very low90 Ų90141.7 Ų141.763%0.62978%0.776SS**  trans-52176.6168.661.80000115.1
278Q35.5Very low36.7Very low139 Ų139139.8 Ų139.865%0.6578%0.775SS**  cis-163.8179.919.7-157158.1-30.100111.1
279W34.2Very low36.7Very low225 Ų225140.8 Ų140.885%0.85278%0.78SS**  trans103.660162.6-49.3122.8000118.8
280E32.5Very low36.8Very low186 Ų186145 Ų14587%0.86979%0.787SS**  trans-105.6148140.7-74.6-175.396.700110
281T36.2Very low36.9Very low149 Ų149144.1 Ų144.191%0.91479%0.789SS**  trans147.8128.5141.9-61.20000111.7
282G33.6Very low36.9Very low63 Ų63147.1 Ų147.165%0.64980%0.8SS**  trans104.7105.317200000112.9
283D35.4Very low36.8Very low169 Ų169153.2 Ų153.290%0.90481%0.814SS**  cis-150.3160.937.1-85.1-31.8000113.6
284Q34.5Very low36.7Very low198 Ų198149.9 Ų149.993%0.92580%0.797SS**  trans-104.7120.4173.6-64.5179.23.500111.2
285S40.7Very low37Very low115 Ų115158.3 Ų158.380%0.80481%0.808SS**  trans-148.6131.4164.567.50000111.8
286S32.9Very low37.4Very low103 Ų103162.2 Ų162.272%0.7280%0.803SS**  trans-61.8137.7-169.3-173.30000114.8H288S286-H288 PolarHBondContact O-N 2.93Å
287P35.4Very low38Very low118 Ų118158.6 Ų158.677%0.76680%0.801SS**  trans-9293.5175.635.4-31.9000112.4
288H35.7Very low38.1Very low158 Ų158159 Ų15973%0.73180%0.8SS**  trans-132.2149.9162.5-94.3-95.9000111.2S286S286-H288 PolarHBondContact O-N 2.93Å
289D38.4Very low38.2Very low153 Ų153156 Ų15682%0.81879%0.794SS**  trans48.284169.1-61.9-40.9000118.8
290K44.9Very low38.8Very low201 Ų201150.8 Ų150.887%0.87479%0.792SS**  trans-129.8132.1144.9-70.1-174.4179.5169.80110.1
291P43.1Very low39.3Very low124 Ų124147.9 Ų147.981%0.80578%0.779SS**PPolyproline II helixtrans-73.4149.9-168.828.8-35.7000113R293P291-R293 PolarHBondContact O-N 3.41Å
292K39.5Very low39.6Very low210 Ų210149.2 Ų149.291%0.91377%0.768SS**PPolyproline II helixtrans-56.6123174.1-68.2179.6178.41770110.2
293R38.6Very low39.8Very low243 Ų243153.2 Ų153.292%0.91777%0.769SS**PPolyproline II helixtrans-63.1149170-78.1-174.3171.4-177.5-3110.4P291P291-R293 PolarHBondContact O-N 3.41Å
294S37.1Very low40.1Very low76 Ų76150.3 Ų150.353%0.53175%0.754SS.*PPolyproline II helixtrans-65.5142-174.5-159.30000111.9R296S294-R296 PolarHBondContact O-N 2.9Å
295R43.6Very low40.5Very low243 Ų243145.6 Ų145.692%0.91773%0.734SS**THydrogen-bonded Turntrans-78.148.5-179.6-163.8-176.8-174.11691.5111.7
296R46.3Very low40.8Very low212 Ų212146.6 Ų146.680%0.873%0.726SS**THydrogen-bonded Turntrans-128.5-7.9-171.2-104.8-173.5-87.7176.9-9.9115.9S294S294-R296 PolarHBondContact O-N 2.9Å
297D42.7Very low41.5Very low156 Ų156147.1 Ų147.183%0.83472%0.72SS**  trans-106.933.6179.1-58.8-49.3000112.8
298T40.4Very low42.6Very low99 Ų99145.8 Ų145.861%0.60770%0.702SS**SBendtrans-91.9129.7169.5-52.80000109.1Y302T298-Y302 HydrophobicContact CG2-CD2 4.41Å
299S36.5Very low43.7Very low74 Ų74142.5 Ų142.552%0.51770%0.697SS.*  trans-53.8142.2175.2-178.50000111.7E301 Y302S299-E301 PolarHBondContact O-N 2.93Å; S299-Y302 PolarHBondContact O-N 2.9Å
300S46.8Very low44.9Very low116 Ų116136.8 Ų136.881%0.81167%0.667SS**G310 helixtrans-66.8-1.6-18060.70000114.2Y302S300-Y302 PolarHBondContact O-N 3.27Å
301E43.3Very low45.5Very low126 Ų126131.4 Ų131.459%0.58965%0.652SS**G310 helixtrans-71.5-8.3173-153179.415700113.8S299S299-E301 PolarHBondContact O-N 2.93Å
302Y41.2Very low45.9Very low176 Ų176126.8 Ų126.869%0.6962%0.622SS**G310 helixtrans-113.111.7-177.5-67.5-84.8000114.5T298 S299 S300 L304T298-Y302 HydrophobicContact CG2-CD2 4.41Å; S299-Y302 PolarHBondContact O-N 2.9Å; S300-Y302 PolarHBondContact O-N 3.27Å; Y302-L304 PolarHBondContact O-N 3.24Å
303H38.4Very low46.6Very low147 Ų147126 Ų12668%0.68161%0.614SS**  trans-77.9103.6169.4-147.6-98.9000109.1D305H303-D305 VanDerWaalsContact C-N 3.32Å; H303-D305 IonicContact CE1-OD1 2.73Å; H303-D305 IonicContact CG-OD1 2.89Å; H303-D305 IonicContact ND1-OD1 3.83Å; H303-D305 PolarHBondContact ND1-OD1 3.47Å; H303-D305 PolarHBondContact O-N 2.93Å
304L41.9Very low47.2Very low109 Ų109118.6 Ų118.657%0.57159%0.59SS**  trans-75.986.7172.3-90.4155.6000108.7Y302 E306Y302-L304 PolarHBondContact O-N 3.24Å; L304-E306 PolarHBondContact O-N 3.09Å; L304-E306 VanDerWaalsContact O-N 3.1Å
305D42.5Very low47.6Very low98 Ų98121.5 Ų121.552%0.52460%0.599SS.*  trans-66.1107.5173.2-71.6-23000109.8H303H303-D305 VanDerWaalsContact C-N 3.32Å; H303-D305 IonicContact CE1-OD1 2.73Å; H303-D305 IonicContact CG-OD1 2.89Å; H303-D305 IonicContact ND1-OD1 3.83Å; H303-D305 PolarHBondContact ND1-OD1 3.47Å; H303-D305 PolarHBondContact O-N 2.93Å
306E47.2Very low47.2Very low136 Ų136116 Ų11664%0.63660%0.595SS**  trans62100.9175.3-57-171.6131.100115.6L304 F308L304-E306 PolarHBondContact O-N 3.09Å; L304-E306 VanDerWaalsContact O-N 3.1Å; E306-F308 VanDerWaalsContact C-N 3.26Å; E306-F308 HydrophobicContact CB-CD2 3.84Å; E306-F308 HydrophobicContact CB-CE2 3.34Å; E306-F308 HydrophobicContact CB-CZ 3.82Å; E306-F308 HydrophobicContact CG-CE2 4.3Å; E306-F308 HydrophobicContact CG-CZ 4.44Å; E306-F308 WeakPolarHBondContact O-CD2 3.32Å; E306-F308 PolarHBondContact O-N 2.92Å; E306-F308 WeakPolarHBondContact OE2-CE2 3.48Å; E306-F308 VanDerWaalsContact OE2-CZ 3.25Å; E306-F308 WeakPolarHBondContact OE2-CZ 3.36Å
307I48.3Very low47.1Very low114 Ų114112.1 Ų112.159%0.58559%0.589SS**  trans-7380.4172.3-54.2178.6000109.5S309 F339I307-S309 PolarHBondContact O-N 3.4Å; I307-S309 VanDerWaalsContact O-N 3.14Å; I307-F339 HydrophobicContact CG2-CD2 3.77Å; I307-F339 HydrophobicContact CG2-CE2 4.03Å
308F57.8Low46.8Very low90 Ų90113.8 Ų113.840%0.39559%0.591SS.*EExtended strand (participates in β ladder)trans-71.5104.6171.6-70.7-72.4000110.4E306 Y338 F339E306-F308 VanDerWaalsContact C-N 3.26Å; E306-F308 HydrophobicContact CB-CD2 3.84Å; E306-F308 HydrophobicContact CB-CE2 3.34Å; E306-F308 HydrophobicContact CB-CZ 3.82Å; E306-F308 HydrophobicContact CG-CE2 4.3Å; E306-F308 HydrophobicContact CG-CZ 4.44Å; E306-F308 WeakPolarHBondContact O-CD2 3.32Å; E306-F308 PolarHBondContact O-N 2.92Å; E306-F308 WeakPolarHBondContact OE2-CE2 3.48Å; E306-F308 VanDerWaalsContact OE2-CZ 3.25Å; E306-F308 WeakPolarHBondContact OE2-CZ 3.36Å; F308-Y338 HydrophobicContact CB-CD1 3.51Å; F308-Y338 HydrophobicContact CB-CE1 3.83Å; F308-Y338 HydrophobicContact CD2-CD1 4.29Å; F308-Y338 AromaticContact CD2-CE1 3.74Å; F308-Y338 HydrophobicContact CD2-CE1 3.74Å; F308-Y338 HydrophobicContact CG-CD1 4.13Å; F308-Y338 AromaticContact CG-CE1 3.92Å; F308-Y338 HydrophobicContact CG-CE1 3.92Å; F308-F339 PolarHBondContact O-N 3.47Å
309S58.6Low46.6Very low89 Ų89115.8 Ų115.862%0.62260%0.599SS**EExtended strand (participates in β ladder)trans-82.7121.1165.6-61.50000109.1I307 F339I307-S309 PolarHBondContact O-N 3.4Å; I307-S309 VanDerWaalsContact O-N 3.14Å; S309-F339 WeakPolarHBondContact CA-O 3.28Å
310L64.7Low46.8Very low34 Ų34121.6 Ų121.618%0.17862%0.617CS.*PPolyproline II helixtrans-72.2143.9172.7-67.2172.6000109.7S312 L326 F339 Y340 I398L310-S312 PolarHBondContact O-N 2.98Å; L310-S312 VanDerWaalsContact O-N 3.13Å; L310-L326 HydrophobicContact CD2-CD2 3.33Å; L310-F339 PolarHBondContact N-O 3.42Å; L310-Y340 HydrophobicContact CB-CD2 3.96Å; L310-I398 HydrophobicContact CD1-CD1 4.4Å
311P55.9Low47Very low88 Ų88118.6 Ų118.657%0.57160%0.6SS**PPolyproline II helixtrans-59.8120.3-179.524.3-33.2000110.1V324P311-V324 HydrophobicContact CG-CG1 4.01Å; P311-V324 HydrophobicContact CG-CG2 4.09Å
312S52.6Low48Very low26 Ų26119.2 Ų119.218%0.18261%0.607CS.*  trans-106.7164.6174.9-175.90000109.7L310 E314 K341L310-S312 PolarHBondContact O-N 2.98Å; L310-S312 VanDerWaalsContact O-N 3.13Å; S312-E314 WeakPolarHBondContact CB-OE2 3.47Å; S312-E314 PolarHBondContact O-N 3Å; S312-E314 VanDerWaalsContact OG-CD 3.28Å; S312-E314 PolarHBondContact OG-OE1 2.96Å; S312-E314 PolarHBondContact OG-OE2 3.38Å; S312-K341 PolarHBondContact OG-O 3.39Å; S312-K341 VanDerWaalsContact OG-O 3.07Å
313R53.5Low49.3Very low193 Ų193117.5 Ų117.573%0.72860%0.603SS**THydrogen-bonded Turntrans-76.518.5-165.3177.5164.3167.1146.5-1.2114.3D322 I343R313-D322 IonicContact NH1-OD1 3.86Å; R313-I343 HydrophobicContact CB-CD1 3.83Å; R313-I343 HydrophobicContact CG-CD1 4.03Å
314E52.5Low51.3Low89 Ų89114 Ų11442%0.41659%0.592SS.*THydrogen-bonded Turntrans-83.5-18.5-176.1-7573.1-99.300113.9S312 P316 L393S312-E314 WeakPolarHBondContact CB-OE2 3.47Å; S312-E314 PolarHBondContact O-N 3Å; S312-E314 VanDerWaalsContact OG-CD 3.28Å; S312-E314 PolarHBondContact OG-OE1 2.96Å; S312-E314 PolarHBondContact OG-OE2 3.38Å; E314-P316 WeakPolarHBondContact O-CD 3.35Å; E314-L393 HydrophobicContact CG-CD2 4.39Å; E314-L393 WeakPolarHBondContact OE1-CD2 3.36Å
315D45.8Very low53.2Low137 Ų137112.3 Ų112.373%0.73359%0.59SS**  trans-89.2119.6-179.6-77.9-44.4000112.7I317D315-I317 PolarHBondContact O-N 3.38Å
316P34.3Very low55.4Low128 Ų128111.1 Ų111.183%0.83158%0.583SS**  trans-80.951.9-178.334.7-37.1000112.9E314E314-P316 WeakPolarHBondContact O-CD 3.35Å
317I43.7Very low57.4Low129 Ų129110.1 Ų110.166%0.66259%0.586SS**SBendtrans-125.680.2176.6-51.4-179.4000111.1D315 N319D315-I317 PolarHBondContact O-N 3.38Å; I317-N319 PolarHBondContact O-N 2.86Å
318Q35.9Very low59.3Low191 Ų191107.2 Ų107.289%0.89357%0.573SS**  trans44.848.9140.8-156.7178.54.800117.3
319N37.6Very low60.8Low142 Ų142110.2 Ų110.276%0.75959%0.592SS**  trans-133.9115.5165.2-85.1-67.6000111.5I317 A321I317-N319 PolarHBondContact O-N 2.86Å; N319-A321 PolarHBondContact O-N 2.99Å; N319-A321 VanDerWaalsContact O-N 3.1Å
320Q41.4Very low62.3Low195 Ų195106.8 Ų106.891%0.91157%0.567SS**  trans-85.665.2176.6-172.5177-3.100109.2
321A50.4Low63.4Low53 Ų53107.9 Ų107.944%0.43858%0.576SS.*  trans-119.389.9-177.300000109.8N319 F323N319-A321 PolarHBondContact O-N 2.99Å; N319-A321 VanDerWaalsContact O-N 3.1Å; A321-F323 PolarHBondContact O-N 2.86Å
322D64.3Low64.8Low140 Ų140108.2 Ų108.275%0.74958%0.579SS**SBendtrans-74.62.2173.1-66.9-40.9000112.4R313R313-D322 IonicContact NH1-OD1 3.86Å
323F68.6Low66.2Low139 Ų139108.9 Ų108.961%0.6159%0.589SS**  trans-128.9148.117466.7-87.7000111.2A321A321-F323 PolarHBondContact O-N 2.86Å
324V79Confident67.7Low74 Ų74102.5 Ų102.545%0.44857%0.571SS.*  trans-124.9118.5173.8-179.90000108P311 L326P311-V324 HydrophobicContact CG-CG1 4.01Å; P311-V324 HydrophobicContact CG-CG2 4.09Å; V324-L326 HydrophobicContact CG1-CD2 4.48Å
325S83.5Confident69.5Low73 Ų73101.8 Ų101.851%0.5157%0.567SS.*  trans-112.7138.9178.5-176.30000110.7
326L86.9Confident71.6Confident73 Ų7396.8 Ų96.838%0.38254%0.539SS..  trans-154.2149.8-174.660.197.4000110.8L310 V324 V328L310-L326 HydrophobicContact CD2-CD2 3.33Å; V324-L326 HydrophobicContact CG1-CD2 4.48Å; L326-V328 HydrophobicContact CD1-CB 4.34Å; L326-V328 HydrophobicContact CD1-CG1 3.52Å; L326-V328 HydrophobicContact CD1-CG2 3.96Å
327V89.4Confident74.4Confident116 Ų11691.8 Ų91.870%0.70351%0.507SS*.  trans-116.5125.7172.6178.90000108.1L353V327-L353 HydrophobicContact CG1-CD1 3.95Å; V327-L353 HydrophobicContact CG2-CD1 4.13Å
328V89.4Confident76.7Confident53 Ų5386.6 Ų86.632%0.32148%0.479SS..  trans-127.8147.4-176.9-740000111.1L326 Y338 L400L326-V328 HydrophobicContact CD1-CB 4.34Å; L326-V328 HydrophobicContact CD1-CG1 3.52Å; L326-V328 HydrophobicContact CD1-CG2 3.96Å; V328-Y338 WeakPolarHBondContact CB-OH 3.34Å; V328-Y338 HydrophobicContact CG1-CE1 3.97Å; V328-Y338 WeakPolarHBondContact CG1-OH 3.39Å; V328-Y338 HydrophobicContact CG2-CE2 4.4Å; V328-L400 HydrophobicContact CG2-CD1 3.78Å
329I89.5Confident79.3Confident153 Ų15380 Ų8079%0.78545%0.448SS*.  trans-105.7114.2177-58.8175.2000106.7P331I329-P331 WeakPolarHBondContact O-CD 3.3Å
330V89.9Confident81.7Confident17 Ų1776 Ų7610%0.10342%0.423CS..  trans-101.8107.7176.4-174.60000107.5H336 I360 L400 N402V330-H336 HydrophobicContact CG2-CB 4.49Å; V330-I360 HydrophobicContact CB-CD1 3.92Å; V330-I360 HydrophobicContact CG1-CD1 4.17Å; V330-I360 HydrophobicContact CG2-CD1 3.87Å; V330-L400 HydrophobicContact CG2-CB 3.97Å; V330-L400 HydrophobicContact CG2-CD1 4.04Å; V330-N402 HydrophobicContact CB-CB 4.31Å; V330-N402 HydrophobicContact CG1-CB 3.6Å; V330-N402 PolarHBondContact O-ND2 2.9Å
331P87.7Confident84Confident56 Ų5671.2 Ų71.236%0.36440%0.399SS..  trans-60.4156.9-178.4-22.633.1000113I329 V334 H336 N402I329-P331 WeakPolarHBondContact O-CD 3.3Å; P331-V334 HydrophobicContact CB-CG2 3.84Å; P331-V334 HydrophobicContact CG-CG2 4.04Å; P331-V334 WeakPolarHBondContact O-CG2 3.27Å; P331-H336 WeakPolarHBondContact CD-NE2 3.46Å; P331-N402 WeakPolarHBondContact O-CB 3.47Å; P331-N402 PolarHBondContact O-ND2 3.49Å
332P84.4Confident85.8Confident96 Ų9668.7 Ų68.762%0.62338%0.378SS*.THydrogen-bonded Turntrans-64.7138.7176.427.5-34.6000111.2V334 A405P332-V334 VanDerWaalsContact C-N 3.32Å; P332-V334 PolarHBondContact O-N 3.11Å; P332-A405 HydrophobicContact CB-CB 3.56Å
333G81.8Confident86.7Confident39 Ų3965 Ų6540%0.40236%0.357SS..THydrogen-bonded Turntrans82.22.5176.600000115N402G333-N402 PolarHBondContact N-O 3.23Å
334V85.9Confident87.5Confident59 Ų5962.3 Ų62.336%0.35835%0.353SS..  trans-123.4171.6175.8-54.90000112.3P331 P332 N402P331-V334 HydrophobicContact CB-CG2 3.84Å; P331-V334 HydrophobicContact CG-CG2 4.04Å; P331-V334 WeakPolarHBondContact O-CG2 3.27Å; P332-V334 VanDerWaalsContact C-N 3.32Å; P332-V334 PolarHBondContact O-N 3.11Å; V334-N402 CarbonylContact O-C 3.56Å; V334-N402 WeakPolarHBondContact O-CA 3.37Å; V334-N402 PolarHBondContact O-N 3.12Å
335K89.4Confident88Confident74 Ų7463.1 Ų63.132%0.32235%0.354SS..EExtended strand (participates in β ladder)trans-127.8135.6173.270.6-160.8-178.9-163.30108.3F363 L400 D401K335-F363 HydrophobicContact CD-CZ 4.25Å; K335-L400 CarbonylContact C-O 3.48Å; K335-L400 WeakPolarHBondContact CA-O 3.31Å; K335-L400 WeakPolarHBondContact CB-O 3.35Å; K335-D401 HydrophobicContact CB-CB 4.35Å
336H90.4Very high88.3Confident32 Ų3260.6 Ų60.615%0.14833%0.334CS..EExtended strand (participates in β ladder)trans-112.3138.5174.5-81.6-85000110V330 P331 Y338 C399 L400V330-H336 HydrophobicContact CG2-CB 4.49Å; P331-H336 WeakPolarHBondContact CD-NE2 3.46Å; H336-Y338 HydrophobicContact CB-CE2 4.03Å; H336-C399 CarbonylContact O-C 3.53Å; H336-C399 WeakPolarHBondContact O-CA 3.14Å; H336-L400 PolarHBondContact N-O 3.47Å; H336-L400 PolarHBondContact O-N 2.62Å
337C92.8Very high88.5Confident24 Ų2460.5 Ų60.516%0.16233%0.334CS..EExtended strand (participates in β ladder)trans-123.5131.1-176.2-65.30000111I398 C399C337-I398 WeakPolarHBondContact CA-O 3.47Å; C337-C399 HydrophobicContact CB-CB 4.14Å; C337-C399 WeakPolarHBondContact CB-SG 3.48Å; C337-C399 WeakPolarHBondContact SG-CB 3.19Å; C337-C399 CovalentContact SG-SG 2.04Å; C337-C399 PolarHBondContact SG-SG 3.1Å
338Y91.4Very high88.6Confident19 Ų1955.9 Ų55.98%0.07531%0.306CS..EExtended strand (participates in β ladder)trans-112.5136.2-179.2-58.3-86.8000109.1F308 V328 H336 I398 L400F308-Y338 HydrophobicContact CB-CD1 3.51Å; F308-Y338 HydrophobicContact CB-CE1 3.83Å; F308-Y338 HydrophobicContact CD2-CD1 4.29Å; F308-Y338 AromaticContact CD2-CE1 3.74Å; F308-Y338 HydrophobicContact CD2-CE1 3.74Å; F308-Y338 HydrophobicContact CG-CD1 4.13Å; F308-Y338 AromaticContact CG-CE1 3.92Å; F308-Y338 HydrophobicContact CG-CE1 3.92Å; V328-Y338 WeakPolarHBondContact CB-OH 3.34Å; V328-Y338 HydrophobicContact CG1-CE1 3.97Å; V328-Y338 WeakPolarHBondContact CG1-OH 3.39Å; V328-Y338 HydrophobicContact CG2-CE2 4.4Å; H336-Y338 HydrophobicContact CB-CE2 4.03Å; Y338-I398 PolarHBondContact N-O 3.17Å; Y338-I398 PolarHBondContact O-N 3.02Å; Y338-L400 HydrophobicContact CE2-CD1 4.28Å
339F91Very high88.6Confident53 Ų5357.5 Ų57.523%0.23231%0.31CS..EExtended strand (participates in β ladder)trans-103.6128.4-177.1-67.2-86.9000111.1I307 F308 S309 L310 P395 Y396 A397I307-F339 HydrophobicContact CG2-CD2 3.77Å; I307-F339 HydrophobicContact CG2-CE2 4.03Å; F308-F339 PolarHBondContact O-N 3.47Å; S309-F339 WeakPolarHBondContact CA-O 3.28Å; L310-F339 PolarHBondContact N-O 3.42Å; F339-P395 HydrophobicContact CB-CB 4.48Å; F339-P395 HydrophobicContact CD1-CB 4.25Å; F339-Y396 WeakPolarHBondContact CA-O 3.38Å; F339-A397 HydrophobicContact CD1-CB 4.02Å; F339-A397 HydrophobicContact CE1-CB 3.72Å; F339-A397 HydrophobicContact CZ-CB 4.39Å
340Y89.3Confident88.7Confident58 Ų5851.5 Ų51.523%0.22728%0.278CS..EExtended strand (participates in β ladder)trans-129.2144.4179.9-177.2-121.8000111.3L310 P342 F346 P395 Y396L310-Y340 HydrophobicContact CB-CD2 3.96Å; Y340-P342 VanDerWaalsContact C-CD 3.47Å; Y340-P342 HydrophobicContact CD1-CB 4.21Å; Y340-P342 HydrophobicContact CD1-CG 4.43Å; Y340-P342 HydrophobicContact CE1-CB 3.89Å; Y340-P342 WeakPolarHBondContact O-CD 3.35Å; Y340-F346 HydrophobicContact CD1-CD2 4.09Å; Y340-F346 HydrophobicContact CD1-CE2 4.22Å; Y340-F346 HydrophobicContact CD1-CG 4.25Å; Y340-F346 HydrophobicContact CD1-CZ 4.5Å; Y340-F346 HydrophobicContact CE1-CB 4.13Å; Y340-F346 HydrophobicContact CE1-CD1 4.4Å; Y340-F346 HydrophobicContact CE1-CD2 4.18Å; Y340-F346 AromaticContact CE1-CG 3.99Å; Y340-F346 HydrophobicContact CE1-CG 3.99Å; Y340-P395 CarbonylContact O-C 3.52Å; Y340-P395 WeakPolarHBondContact O-CA 3.44Å; Y340-Y396 PolarHBondContact N-O 2.8Å; Y340-Y396 PolarHBondContact O-N 2.66Å
341K89.7Confident88.8Confident94 Ų9453 Ų5341%0.40928%0.284SS..  trans-114.972.6-174.8-66.6179.8-176.2173.50112S312 I343 P395S312-K341 PolarHBondContact OG-O 3.39Å; S312-K341 VanDerWaalsContact OG-O 3.07Å; K341-I343 PolarHBondContact O-N 2.94Å; K341-P395 HydrophobicContact CG-CB 4.31Å
342P86.7Confident88.9Confident0 Ų051.8 Ų51.80%028%0.275CS..  trans-61.6134.9-174.525.5-35.7000113.6Y340 T344 F346 V387 R392 L393 Y396Y340-P342 VanDerWaalsContact C-CD 3.47Å; Y340-P342 HydrophobicContact CD1-CB 4.21Å; Y340-P342 HydrophobicContact CD1-CG 4.43Å; Y340-P342 HydrophobicContact CE1-CB 3.89Å; Y340-P342 WeakPolarHBondContact O-CD 3.35Å; P342-T344 VanDerWaalsContact CB-O 3.31Å; P342-T344 WeakPolarHBondContact CB-O 3.27Å; P342-F346 HydrophobicContact CB-CD1 3.61Å; P342-F346 HydrophobicContact CB-CE1 3.97Å; P342-F346 HydrophobicContact CB-CG 4.44Å; P342-F346 HydrophobicContact CG-CD1 3.91Å; P342-F346 HydrophobicContact CG-CE1 3.71Å; P342-V387 HydrophobicContact CB-CG1 4.4Å; P342-V387 HydrophobicContact CB-CG2 3.91Å; P342-V387 HydrophobicContact CG-CG1 4.16Å; P342-V387 HydrophobicContact CG-CG2 3.83Å; P342-R392 WeakPolarHBondContact O-CA 3.28Å; P342-L393 PolarHBondContact O-N 3.41Å; P342-Y396 HydrophobicContact CG-CD2 3.49Å; P342-Y396 VanDerWaalsContact CG-CD2 3.49Å; P342-Y396 HydrophobicContact CG-CE2 3.57Å; P342-Y396 HydrophobicContact CG-CG 4.19Å
343I83.6Confident89.1Confident62 Ų6250.5 Ų50.532%0.31826%0.263SS..SBendtrans-84.6-29.7166.3-61.7177.5000110.7R313 K341 R392 L393R313-I343 HydrophobicContact CB-CD1 3.83Å; R313-I343 HydrophobicContact CG-CD1 4.03Å; K341-I343 PolarHBondContact O-N 2.94Å; I343-R392 VanDerWaalsContact O-CD 3.25Å; I343-R392 WeakPolarHBondContact O-CD 3.46Å; I343-R392 WeakPolarHBondContact O-CG 3.5Å; I343-R392 PolarHBondContact O-NE 3.22Å; I343-L393 HydrophobicContact CD1-CD2 4.21Å; I343-L393 HydrophobicContact CG1-CD2 3.7Å; I343-L393 HydrophobicContact CG1-CG 4.36Å
344T86.7Confident89.2Confident84 Ų8454.1 Ų54.152%0.51527%0.268SS..SBendtrans-135.1177-176.3550000110.5P342 V387P342-T344 VanDerWaalsContact CB-O 3.31Å; P342-T344 WeakPolarHBondContact CB-O 3.27Å; T344-V387 WeakPolarHBondContact O-CG2 3.46Å
345N88.6Confident88.9Confident90 Ų9053.7 Ų53.748%0.48128%0.275SS..  trans-51.1145.7165.8-60.67.7000110.4I385 S386 V387N345-I385 VanDerWaalsContact CA-O 3.29Å; N345-I385 WeakPolarHBondContact CA-O 3.41Å; N345-I385 WeakPolarHBondContact CB-O 3.21Å; N345-S386 PolarHBondContact ND2-OG 3.17Å; N345-V387 PolarHBondContact OD1-N 3.1Å
346F90.3Very high88.2Confident21 Ų2154.3 Ų54.39%0.09230%0.302CS..EExtended strand (participates in β ladder)trans-141.8151.7-177.868.9-79.5000111.2Y340 P342 V348 I385 V387 Y396 I398Y340-F346 HydrophobicContact CD1-CD2 4.09Å; Y340-F346 HydrophobicContact CD1-CE2 4.22Å; Y340-F346 HydrophobicContact CD1-CG 4.25Å; Y340-F346 HydrophobicContact CD1-CZ 4.5Å; Y340-F346 HydrophobicContact CE1-CB 4.13Å; Y340-F346 HydrophobicContact CE1-CD1 4.4Å; Y340-F346 HydrophobicContact CE1-CD2 4.18Å; Y340-F346 AromaticContact CE1-CG 3.99Å; Y340-F346 HydrophobicContact CE1-CG 3.99Å; P342-F346 HydrophobicContact CB-CD1 3.61Å; P342-F346 HydrophobicContact CB-CE1 3.97Å; P342-F346 HydrophobicContact CB-CG 4.44Å; P342-F346 HydrophobicContact CG-CD1 3.91Å; P342-F346 HydrophobicContact CG-CE1 3.71Å; F346-V348 HydrophobicContact CD2-CG2 3.8Å; F346-V348 HydrophobicContact CE2-CG2 3.56Å; F346-I385 HydrophobicContact CD1-CB 4.06Å; F346-I385 HydrophobicContact CD1-CG2 4.23Å; F346-I385 HydrophobicContact CE1-CB 3.67Å; F346-I385 HydrophobicContact CE1-CG1 4.31Å; F346-I385 HydrophobicContact CE1-CG2 3.52Å; F346-I385 HydrophobicContact CE2-CB 4.32Å; F346-I385 HydrophobicContact CE2-CG1 4.2Å; F346-I385 HydrophobicContact CZ-CB 3.82Å; F346-I385 HydrophobicContact CZ-CG1 3.93Å; F346-I385 HydrophobicContact CZ-CG2 3.89Å; F346-I385 PolarHBondContact N-O 2.97Å; F346-I385 VanDerWaalsContact N-O 3.11Å; F346-I385 PolarHBondContact O-N 3Å; F346-V387 HydrophobicContact CD1-CG2 3.65Å; F346-V387 HydrophobicContact CE1-CG2 3.7Å; F346-Y396 HydrophobicContact CE1-CD1 4Å; F346-Y396 HydrophobicContact CE1-CE1 4.22Å; F346-Y396 HydrophobicContact CE1-CG 4.29Å; F346-Y396 AromaticContact CZ-CD1 3.96Å; F346-Y396 HydrophobicContact CZ-CD1 3.96Å; F346-Y396 HydrophobicContact CZ-CG 4.24Å; F346-I398 HydrophobicContact CE2-CD1 4.06Å
347D90.5Very high87.7Confident71 Ų7160 Ų6038%0.3833%0.329SS..EExtended strand (participates in β ladder)trans-106.7139.4176.4-69.2-65.8000109.9S384D347-S384 VanDerWaalsContact OD1-CA 3.3Å; D347-S384 WeakPolarHBondContact OD1-CA 3.12Å; D347-S384 WeakPolarHBondContact OD1-CB 3.39Å; D347-S384 PolarHBondContact OD1-OG 3.34Å
348V90.6Very high87.3Confident19 Ų1962.4 Ų62.412%0.11534%0.339CS..EExtended strand (participates in β ladder)trans-115.8116.1172.2-175.70000108.5F346 I362 I364 Q382 V383 I398F346-V348 HydrophobicContact CD2-CG2 3.8Å; F346-V348 HydrophobicContact CE2-CG2 3.56Å; V348-I362 HydrophobicContact CG1-CD1 3.89Å; V348-I364 HydrophobicContact CB-CD1 4.19Å; V348-I364 HydrophobicContact CG2-CD1 3.85Å; V348-Q382 CarbonylContact O-C 3.57Å; V348-Q382 WeakPolarHBondContact O-CA 3.37Å; V348-V383 PolarHBondContact N-O 2.99Å; V348-V383 PolarHBondContact O-N 3.29Å; V348-I398 HydrophobicContact CG1-CG2 4.14Å; V348-I398 HydrophobicContact CG2-CD1 3.91Å
349E90.5Very high87.1Confident86 Ų8662.9 Ų62.940%0.40234%0.343SS..EExtended strand (participates in β ladder)trans-115.6133.9175-173.9171.4-175.100108.5H465E349-H465 IonicContact OE2-CE1 3.53Å; E349-H465 IonicContact OE2-ND1 2.87Å; E349-H465 PolarHBondContact OE2-ND1 3.45Å
350Y90.8Very high87Confident27 Ų2761.3 Ų61.311%0.10634%0.337CS..EExtended strand (participates in β ladder)trans-139.2155.4175.773.4-86.1000111.6I360 I362 D380 S381Y350-I360 HydrophobicContact CD2-CG2 3.9Å; Y350-I360 HydrophobicContact CE2-CG2 3.66Å; Y350-I362 HydrophobicContact CD1-CD1 3.87Å; Y350-I362 HydrophobicContact CD1-CG2 4.3Å; Y350-I362 HydrophobicContact CE1-CB 3.95Å; Y350-I362 HydrophobicContact CE1-CD1 4.09Å; Y350-I362 HydrophobicContact CE1-CG2 3.42Å; Y350-I362 VanDerWaalsContact CE1-CG2 3.42Å; Y350-D380 WeakPolarHBondContact O-CA 3.28Å; Y350-S381 WeakPolarHBondContact CD1-O 3.46Å; Y350-S381 VanDerWaalsContact CE1-CB 3.42Å; Y350-S381 PolarHBondContact N-O 2.88Å; Y350-S381 VanDerWaalsContact N-O 3.14Å; Y350-S381 PolarHBondContact O-N 3.04Å
351Q91.5Very high87Confident48 Ų4858.7 Ų58.722%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-145.9129.8177.6-175.3172.8-6.200109.6L353 S379 D380 N472Q351-L353 PolarHBondContact O-N 2.93Å; Q351-S379 CarbonylContact C-O 3.14Å; Q351-S379 WeakPolarHBondContact CA-O 3.26Å; Q351-D380 HydrophobicContact CG-CB 4.5Å; Q351-N472 PolarHBondContact OE1-ND2 3.41Å
352V90.3Very high87Confident31 Ų3154.3 Ų54.319%0.18831%0.309CS..  trans-78.6109.6178.7-177.40000109.4L358 I360 S379V352-L358 HydrophobicContact CG1-CB 4.42Å; V352-L358 HydrophobicContact CG1-CD2 4.32Å; V352-I360 HydrophobicContact CG2-CB 3.97Å; V352-I360 HydrophobicContact CG2-CG2 3.54Å; V352-S379 PolarHBondContact N-O 3.21Å
353L88.8Confident87.2Confident69 Ų6955.4 Ų55.436%0.36131%0.313SS..  trans-78.2-38.6-176.4-59.3-179.5000113.3V327 Q351V327-L353 HydrophobicContact CG1-CD1 3.95Å; V327-L353 HydrophobicContact CG2-CD1 4.13Å; Q351-L353 PolarHBondContact O-N 2.93Å
354K84.3Confident87.6Confident116 Ų11652.5 Ų52.550%0.50430%0.298SS..SBendtrans-154.1152.5-179.6-69.7-163.3175.5-123.70112.1E483K354-E483 IonicContact NZ-OE1 3.91Å; K354-E483 PolarHBondContact NZ-OE1 2.92Å
355G79.5Confident87.8Confident50 Ų5053.7 Ų53.752%0.51529%0.293SS..SBendtrans110.2151.7164.400000115.6H357 L358G355-H357 PolarHBondContact O-N 2.88Å; G355-L358 WeakPolarHBondContact O-CA 3.34Å; G355-L358 PolarHBondContact O-N 2.98Å
356G74.3Confident87.9Confident86 Ų8650.5 Ų50.589%0.88728%0.277SS*.THydrogen-bonded Turntrans58.6-131.2171.100000114.2L358G356-L358 VanDerWaalsContact C-N 3.29Å
357H81.2Confident88Confident153 Ų15351.5 Ų51.571%0.70829%0.285SS*.THydrogen-bonded Turntrans-93.418.1171-67.3-80.7000112.5G355 D359G355-H357 PolarHBondContact O-N 2.88Å; H357-D359 VanDerWaalsContact C-N 3.29Å; H357-D359 WeakPolarHBondContact CB-OD1 3.38Å; H357-D359 PolarHBondContact O-N 3.29Å
358L84.6Confident87.9Confident73 Ų7355.3 Ų55.338%0.38230%0.3SS..SBendtrans56.539.3-171.4-59173.4000113V352 G355 G356 S379V352-L358 HydrophobicContact CG1-CB 4.42Å; V352-L358 HydrophobicContact CG1-CD2 4.32Å; G355-L358 WeakPolarHBondContact O-CA 3.34Å; G355-L358 PolarHBondContact O-N 2.98Å; G356-L358 VanDerWaalsContact C-N 3.29Å; L358-S379 WeakPolarHBondContact O-CA 3.44Å
359D86.7Confident87.7Confident29 Ų2956 Ų5616%0.15531%0.312CS..  trans-131.8141.3-179.365.8-27.6000113.1H357 P377 L378 K404H357-D359 VanDerWaalsContact C-N 3.29Å; H357-D359 WeakPolarHBondContact CB-OD1 3.38Å; H357-D359 PolarHBondContact O-N 3.29Å; D359-P377 HydrophobicContact CB-CB 3.96Å; D359-P377 WeakPolarHBondContact OD2-CB 3.3Å; D359-L378 WeakPolarHBondContact CA-O 3.34Å; D359-K404 WeakPolarHBondContact OD2-CD 3.39Å; D359-K404 WeakPolarHBondContact OD2-CE 3.31Å; D359-K404 IonicContact OD2-NZ 2.62Å; D359-K404 PolarHBondContact OD2-NZ 3.34Å
360I88.4Confident87.5Confident20 Ų2057.7 Ų57.710%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-143139.1174-159.3166000110.6V330 Y350 V352 P377 L378 L400 D401 N402V330-I360 HydrophobicContact CB-CD1 3.92Å; V330-I360 HydrophobicContact CG1-CD1 4.17Å; V330-I360 HydrophobicContact CG2-CD1 3.87Å; Y350-I360 HydrophobicContact CD2-CG2 3.9Å; Y350-I360 HydrophobicContact CE2-CG2 3.66Å; V352-I360 HydrophobicContact CG2-CB 3.97Å; V352-I360 HydrophobicContact CG2-CG2 3.54Å; I360-P377 WeakPolarHBondContact O-CA 3.37Å; I360-L378 PolarHBondContact N-O 3.34Å; I360-L378 PolarHBondContact O-N 2.76Å; I360-L378 VanDerWaalsContact O-N 3.15Å; I360-L400 HydrophobicContact CD1-CB 3.9Å; I360-L400 HydrophobicContact CG1-CB 4.49Å; I360-D401 WeakPolarHBondContact CG1-O 3.33Å; I360-N402 HydrophobicContact CD1-CB 4.41Å; I360-N402 HydrophobicContact CG1-CB 4.5Å
361G88.7Confident87.3Confident3 Ų357.7 Ų57.73%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-75.7147.9173.800000110.6L400 D401G361-L400 WeakPolarHBondContact O-CA 3.48Å; G361-D401 PolarHBondContact N-O 2.59Å; G361-D401 PolarHBondContact O-N 2.97Å
362I90.7Very high87Confident3 Ų358.9 Ų58.92%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-125.7137.1167.1-169.8167.2000110.1V348 Y350 I364 R375 I398 C399 L400V348-I362 HydrophobicContact CG1-CD1 3.89Å; Y350-I362 HydrophobicContact CD1-CD1 3.87Å; Y350-I362 HydrophobicContact CD1-CG2 4.3Å; Y350-I362 HydrophobicContact CE1-CB 3.95Å; Y350-I362 HydrophobicContact CE1-CD1 4.09Å; Y350-I362 HydrophobicContact CE1-CG2 3.42Å; Y350-I362 VanDerWaalsContact CE1-CG2 3.42Å; I362-I364 HydrophobicContact CG1-CG1 4.47Å; I362-R375 HydrophobicContact CG2-CB 3.69Å; I362-R375 HydrophobicContact CG2-CG 3.75Å; I362-R375 PolarHBondContact O-N 3.41Å; I362-I398 HydrophobicContact CD1-CG2 4.12Å; I362-C399 WeakPolarHBondContact CA-O 3.34Å; I362-L400 HydrophobicContact CB-CD2 4.36Å; I362-L400 HydrophobicContact CD1-CD2 4.07Å; I362-L400 HydrophobicContact CG1-CD2 4.15Å
363F90.1Very high86.8Confident22 Ų2259 Ų5910%0.09633%0.331CS..EExtended strand (participates in β ladder)trans-136.2138.6165.663.8-88.9000110.7K335 R365 T373 I374 C399 D401K335-F363 HydrophobicContact CD-CZ 4.25Å; F363-R365 HydrophobicContact CD2-CG 4.34Å; F363-T373 CarbonylContact C-O 3.58Å; F363-T373 VanDerWaalsContact CA-O 3.26Å; F363-T373 WeakPolarHBondContact CA-O 3.09Å; F363-I374 HydrophobicContact CB-CB 4.49Å; F363-I374 HydrophobicContact CB-CG1 4.13Å; F363-I374 HydrophobicContact CB-CG2 4.41Å; F363-C399 HydrophobicContact CD1-CB 3.98Å; F363-C399 HydrophobicContact CD2-CB 3.77Å; F363-C399 HydrophobicContact CE1-CB 3.6Å; F363-C399 HydrophobicContact CE2-CB 3.37Å; F363-C399 WeakPolarHBondContact CE2-SG 3.47Å; F363-C399 HydrophobicContact CG-CB 4.06Å; F363-C399 HydrophobicContact CZ-CB 3.27Å; F363-C399 PolarHBondContact N-O 2.85Å; F363-C399 WeakPolarHBondContact O-CB 3.41Å; F363-C399 PolarHBondContact O-N 3.16Å; F363-D401 HydrophobicContact CD1-CB 4.38Å; F363-D401 HydrophobicContact CE1-CB 4.14Å
364I92.2Very high86.7Confident1 Ų159.9 Ų59.91%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-116.4128.6-179.4-60.4175.2000107.9V348 I362 P371 I372 T373 V383 I385 A397 I398V348-I364 HydrophobicContact CB-CD1 4.19Å; V348-I364 HydrophobicContact CG2-CD1 3.85Å; I362-I364 HydrophobicContact CG1-CG1 4.47Å; I364-P371 CarbonylContact O-C 3.58Å; I364-P371 WeakPolarHBondContact O-CA 3.41Å; I364-I372 PolarHBondContact O-N 2.9Å; I364-T373 PolarHBondContact N-O 3.32Å; I364-T373 PolarHBondContact O-N 3.04Å; I364-V383 HydrophobicContact CD1-CB 4.27Å; I364-V383 HydrophobicContact CD1-CG1 3.97Å; I364-I385 HydrophobicContact CD1-CD1 4.08Å; I364-I385 HydrophobicContact CD1-CG1 4.05Å; I364-I385 HydrophobicContact CG2-CD1 4.29Å; I364-I385 HydrophobicContact CG2-CG1 4.44Å; I364-A397 WeakPolarHBondContact CA-O 3.38Å; I364-I398 HydrophobicContact CG1-CG1 4.46Å; I364-I398 HydrophobicContact CG1-CG2 4.33Å
365R91.8Very high86.7Confident109 Ų10959.2 Ų59.241%0.41133%0.329SS..EExtended strand (participates in β ladder)trans-110.2146.7174.7-64.5175177.3-163.3-5.4111.5F363 G369 E370 P371 Y396 A397F363-R365 HydrophobicContact CD2-CG 4.34Å; R365-G369 WeakPolarHBondContact CD-O 3.49Å; R365-E370 VanDerWaalsContact CA-O 3.23Å; R365-E370 WeakPolarHBondContact CA-O 3.31Å; R365-P371 HydrophobicContact CG-CB 4.48Å; R365-Y396 WeakPolarHBondContact O-CA 3.46Å; R365-A397 HydrophobicContact CB-CB 4.35Å; R365-A397 PolarHBondContact N-O 2.74Å; R365-A397 PolarHBondContact O-N 2.89Å
366D90.9Very high86.9Confident24 Ų2460 Ų6013%0.12833%0.325CS..  trans-75.3177.7170.674.411.2000111.9E368 G369 E370 I372 F391D366-E368 VanDerWaalsContact C-N 3.27Å; D366-E368 PolarHBondContact O-N 3.44Å; D366-E368 WeakPolarHBondContact OD1-CA 3.34Å; D366-E368 PolarHBondContact OD1-N 3.32Å; D366-G369 PolarHBondContact O-N 3.42Å; D366-G369 PolarHBondContact OD1-N 2.81Å; D366-E370 PolarHBondContact N-O 2.96Å; D366-E370 PolarHBondContact OD1-N 3.01Å; D366-I372 HydrophobicContact CB-CD1 3.66Å; D366-I372 HydrophobicContact CB-CG1 3.88Å; D366-F391 HydrophobicContact CB-CD2 4.38Å; D366-F391 HydrophobicContact CB-CE2 3.87Å; D366-F391 HydrophobicContact CB-CZ 4.35Å
367P91.1Very high87.4Confident41 Ų4156.7 Ų56.727%0.26629%0.288SS..SBendtrans-68.5-15.9176.6-2235.1000115.8F391 M394 Y396P367-F391 HydrophobicContact CB-CD1 4.2Å; P367-F391 HydrophobicContact CB-CE1 4.34Å; P367-F391 HydrophobicContact CG-CB 4.11Å; P367-F391 HydrophobicContact CG-CD1 3.83Å; P367-F391 HydrophobicContact CG-CE1 4.33Å; P367-F391 HydrophobicContact CG-CG 3.96Å; P367-M394 HydrophobicContact CB-CB 3.72Å; P367-M394 HydrophobicContact CB-SD 4.07Å; P367-M394 HydrophobicContact CG-CB 3.44Å; P367-M394 VanDerWaalsContact CG-CB 3.44Å; P367-M394 HydrophobicContact CG-CG 4.48Å; P367-M394 HydrophobicContact CG-SD 4.35Å; P367-Y396 HydrophobicContact CG-CD2 3.97Å; P367-Y396 HydrophobicContact CG-CE2 3.82Å
368E89.6Confident87.7Confident151 Ų15152.5 Ų52.571%0.70627%0.271SS*.SBendtrans-84.6-21.5174-75173-160.800111.3D366 F391D366-E368 VanDerWaalsContact C-N 3.27Å; D366-E368 PolarHBondContact O-N 3.44Å; D366-E368 WeakPolarHBondContact OD1-CA 3.34Å; D366-E368 PolarHBondContact OD1-N 3.32Å; E368-F391 HydrophobicContact CB-CZ 4.35Å; E368-F391 HydrophobicContact CG-CE1 3.83Å; E368-F391 HydrophobicContact CG-CZ 3.84Å; E368-F391 WeakPolarHBondContact OE1-CE1 3.35Å; E368-F391 WeakPolarHBondContact OE1-CZ 3.28Å
369G85.7Confident87.8Confident34 Ų3451.8 Ų51.835%0.35127%0.272SS..SBendtrans111.6-1.5174.900000114.1R365 D366R365-G369 WeakPolarHBondContact CD-O 3.49Å; D366-G369 PolarHBondContact O-N 3.42Å; D366-G369 PolarHBondContact OD1-N 2.81Å
370E86.5Confident87.9Confident122 Ų12253.5 Ų53.557%0.5728%0.281SS*.  trans-78.6142.6-177.5-71.5-61.6153.800111.5R365 D366 I372R365-E370 VanDerWaalsContact CA-O 3.23Å; R365-E370 WeakPolarHBondContact CA-O 3.31Å; D366-E370 PolarHBondContact N-O 2.96Å; D366-E370 PolarHBondContact OD1-N 3.01Å; E370-I372 PolarHBondContact O-N 3.37Å
371P85.5Confident87.8Confident27 Ų2753.8 Ų53.818%0.17529%0.285CS..EExtended strand (participates in β ladder)trans-83.597.4-174.533.3-33.6000112.1I364 R365 T373 I374 L425I364-P371 CarbonylContact O-C 3.58Å; I364-P371 WeakPolarHBondContact O-CA 3.41Å; R365-P371 HydrophobicContact CG-CB 4.48Å; P371-T373 PolarHBondContact O-N 2.82Å; P371-I374 HydrophobicContact CB-CD1 4.02Å; P371-I374 HydrophobicContact CB-CG1 3.99Å; P371-I374 HydrophobicContact CG-CD1 4.23Å; P371-L425 HydrophobicContact CG-CD1 3.88Å; P371-L425 HydrophobicContact CG-CD2 4.23Å
372I87Confident87.8Confident72 Ų7258.3 Ų58.337%0.36931%0.305SS..EExtended strand (participates in β ladder)trans-58.4-37176-57.2159.1000111.8I364 D366 E370 I385 Y396I364-I372 PolarHBondContact O-N 2.9Å; D366-I372 HydrophobicContact CB-CD1 3.66Å; D366-I372 HydrophobicContact CB-CG1 3.88Å; E370-I372 PolarHBondContact O-N 3.37Å; I372-I385 HydrophobicContact CB-CD1 4.47Å; I372-I385 HydrophobicContact CD1-CG2 4.28Å; I372-I385 HydrophobicContact CG2-CD1 3.89Å; I372-Y396 HydrophobicContact CD1-CD1 3.73Å; I372-Y396 HydrophobicContact CD1-CE1 3.4Å; I372-Y396 VanDerWaalsContact CD1-CE1 3.4Å
373T84.9Confident87.8Confident34 Ų3458.4 Ų58.421%0.20931%0.306CS..EExtended strand (participates in β ladder)trans-149.9135.7179.6-65.90000110.6F363 I364 P371 R375 V383F363-T373 CarbonylContact C-O 3.58Å; F363-T373 VanDerWaalsContact CA-O 3.26Å; F363-T373 WeakPolarHBondContact CA-O 3.09Å; I364-T373 PolarHBondContact N-O 3.32Å; I364-T373 PolarHBondContact O-N 3.04Å; P371-T373 PolarHBondContact O-N 2.82Å; T373-R375 HydrophobicContact CG2-CG 4.22Å; T373-V383 HydrophobicContact CG2-CG1 3.76Å; T373-V383 HydrophobicContact CG2-CG2 4.15Å
374I86.2Confident87.8Confident87 Ų8761.2 Ų61.245%0.44633%0.328SS..EExtended strand (participates in β ladder)trans-124.7130.4170.2-53.6175.9000106.6F363 P371 L425F363-I374 HydrophobicContact CB-CB 4.49Å; F363-I374 HydrophobicContact CB-CG1 4.13Å; F363-I374 HydrophobicContact CB-CG2 4.41Å; P371-I374 HydrophobicContact CB-CD1 4.02Å; P371-I374 HydrophobicContact CB-CG1 3.99Å; P371-I374 HydrophobicContact CG-CD1 4.23Å; I374-L425 HydrophobicContact CD1-CD1 4.23Å
375R84.9Confident87.7Confident102 Ų10261.4 Ų61.439%0.38533%0.329SS..EExtended strand (participates in β ladder)trans-116.8141.5169.9-59.5-62.6-159.9171.26.6109.4I362 T373 L378 V383I362-R375 HydrophobicContact CG2-CB 3.69Å; I362-R375 HydrophobicContact CG2-CG 3.75Å; I362-R375 PolarHBondContact O-N 3.41Å; T373-R375 HydrophobicContact CG2-CG 4.22Å; R375-L378 HydrophobicContact CB-CD1 4.43Å; R375-V383 HydrophobicContact CG-CG2 4.15Å
376P83.3Confident87.6Confident66 Ų6660.5 Ų60.543%0.42934%0.339SS..EExtended strand (participates in β ladder)trans-64.7165.3169.532.1-36.4000110.3L378 W411P376-L378 HydrophobicContact CG-CD1 4.48Å; P376-L378 WeakPolarHBondContact O-CG 3.45Å; P376-L378 PolarHBondContact O-N 3.1Å; P376-W411 HydrophobicContact CB-CE3 4.11Å
377P86.1Confident87.5Confident17 Ų1759.5 Ų59.511%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-56.8122177.1-27.636.9000113.2D359 I360 K404 W411D359-P377 HydrophobicContact CB-CB 3.96Å; D359-P377 WeakPolarHBondContact OD2-CB 3.3Å; I360-P377 WeakPolarHBondContact O-CA 3.37Å; P377-K404 HydrophobicContact CB-CD 4Å; P377-K404 HydrophobicContact CG-CD 3.99Å; P377-W411 HydrophobicContact CG-CD2 4.21Å; P377-W411 HydrophobicContact CG-CH2 4.48Å; P377-W411 HydrophobicContact CG-CZ2 3.84Å
378L87.2Confident87.3Confident65 Ų6559.2 Ų59.234%0.3433%0.333SS..EExtended strand (participates in β ladder)trans-138.3159.5-175.5-74.3160.9000110.7D359 I360 R375 P376D359-L378 WeakPolarHBondContact CA-O 3.34Å; I360-L378 PolarHBondContact N-O 3.34Å; I360-L378 PolarHBondContact O-N 2.76Å; I360-L378 VanDerWaalsContact O-N 3.15Å; R375-L378 HydrophobicContact CB-CD1 4.43Å; P376-L378 HydrophobicContact CG-CD1 4.48Å; P376-L378 WeakPolarHBondContact O-CG 3.45Å; P376-L378 PolarHBondContact O-N 3.1Å
379S87Confident87.1Confident58 Ų5859 Ų5941%0.40633%0.329SS..SBendtrans-73.3-40.9175.247.30000113.5Q351 V352 L358Q351-S379 CarbonylContact C-O 3.14Å; Q351-S379 WeakPolarHBondContact CA-O 3.26Å; V352-S379 PolarHBondContact N-O 3.21Å; L358-S379 WeakPolarHBondContact O-CA 3.44Å
380D88.5Confident87.2Confident65 Ų6562.9 Ų62.935%0.34833%0.334SS..EExtended strand (participates in β ladder)trans-150.2140.1-176.457.3-53.4000109.7Y350 Q351 R469Y350-D380 WeakPolarHBondContact O-CA 3.28Å; Q351-D380 HydrophobicContact CG-CB 4.5Å; D380-R469 IonicContact OD2-NH2 2.9Å; D380-R469 PolarHBondContact OD2-NH2 3.47Å
381S86.2Confident87.2Confident26 Ų2657.5 Ų57.518%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-160.5154.5172.5-141.90000113.2Y350Y350-S381 WeakPolarHBondContact CD1-O 3.46Å; Y350-S381 VanDerWaalsContact CE1-CB 3.42Å; Y350-S381 PolarHBondContact N-O 2.88Å; Y350-S381 VanDerWaalsContact N-O 3.14Å; Y350-S381 PolarHBondContact O-N 3.04Å
382Q89.5Confident87.1Confident98 Ų9861.4 Ų61.446%0.45832%0.32SS..EExtended strand (participates in β ladder)trans-112.8137.8172.1-177.1-175.6-0.200109.6V348V348-Q382 CarbonylContact O-C 3.57Å; V348-Q382 WeakPolarHBondContact O-CA 3.37Å
383V88.9Confident87Confident6 Ų662.6 Ų62.64%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-134.4114.1172.7-177.50000109.7V348 I364 T373 R375 I385V348-V383 PolarHBondContact N-O 2.99Å; V348-V383 PolarHBondContact O-N 3.29Å; I364-V383 HydrophobicContact CD1-CB 4.27Å; I364-V383 HydrophobicContact CD1-CG1 3.97Å; T373-V383 HydrophobicContact CG2-CG1 3.76Å; T373-V383 HydrophobicContact CG2-CG2 4.15Å; R375-V383 HydrophobicContact CG-CG2 4.15Å; V383-I385 HydrophobicContact CG1-CD1 3.72Å; V383-I385 HydrophobicContact CG1-CG1 4.27Å
384S90.3Very high87.1Confident80 Ų8065 Ų6556%0.55934%0.336SS*.EExtended strand (participates in β ladder)trans-89.7124.8173.9-55.60000110.6D347D347-S384 VanDerWaalsContact OD1-CA 3.3Å; D347-S384 WeakPolarHBondContact OD1-CA 3.12Å; D347-S384 WeakPolarHBondContact OD1-CB 3.39Å; D347-S384 PolarHBondContact OD1-OG 3.34Å
385I89.9Confident87.2Confident5 Ų563.8 Ų63.83%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-110.7118.2-179.7-58.4-63.6000110.1N345 F346 I364 I372 V383 V387 Y396N345-I385 VanDerWaalsContact CA-O 3.29Å; N345-I385 WeakPolarHBondContact CA-O 3.41Å; N345-I385 WeakPolarHBondContact CB-O 3.21Å; F346-I385 HydrophobicContact CD1-CB 4.06Å; F346-I385 HydrophobicContact CD1-CG2 4.23Å; F346-I385 HydrophobicContact CE1-CB 3.67Å; F346-I385 HydrophobicContact CE1-CG1 4.31Å; F346-I385 HydrophobicContact CE1-CG2 3.52Å; F346-I385 HydrophobicContact CE2-CB 4.32Å; F346-I385 HydrophobicContact CE2-CG1 4.2Å; F346-I385 HydrophobicContact CZ-CB 3.82Å; F346-I385 HydrophobicContact CZ-CG1 3.93Å; F346-I385 HydrophobicContact CZ-CG2 3.89Å; F346-I385 PolarHBondContact N-O 2.97Å; F346-I385 VanDerWaalsContact N-O 3.11Å; F346-I385 PolarHBondContact O-N 3Å; I364-I385 HydrophobicContact CD1-CD1 4.08Å; I364-I385 HydrophobicContact CD1-CG1 4.05Å; I364-I385 HydrophobicContact CG2-CD1 4.29Å; I364-I385 HydrophobicContact CG2-CG1 4.44Å; I372-I385 HydrophobicContact CB-CD1 4.47Å; I372-I385 HydrophobicContact CD1-CG2 4.28Å; I372-I385 HydrophobicContact CG2-CD1 3.89Å; V383-I385 HydrophobicContact CG1-CD1 3.72Å; V383-I385 HydrophobicContact CG1-CG1 4.27Å; I385-V387 HydrophobicContact CG2-CG2 4.2Å; I385-Y396 HydrophobicContact CG2-CD1 4.34Å; I385-Y396 HydrophobicContact CG2-CE1 3.88Å
386S89.9Confident87.6Confident90 Ų9058.9 Ų58.963%0.62932%0.316SS*.  trans-80.9126.9168.6-166.90000109.5N345 P388N345-S386 PolarHBondContact ND2-OG 3.17Å; S386-P388 WeakPolarHBondContact O-CD 3.19Å
387V88.6Confident88Confident4 Ų456.3 Ų56.32%0.02430%0.3CS..  trans-106108.4-172.6173.40000110P342 T344 N345 F346 I385 R392 Y396P342-V387 HydrophobicContact CB-CG1 4.4Å; P342-V387 HydrophobicContact CB-CG2 3.91Å; P342-V387 HydrophobicContact CG-CG1 4.16Å; P342-V387 HydrophobicContact CG-CG2 3.83Å; T344-V387 WeakPolarHBondContact O-CG2 3.46Å; N345-V387 PolarHBondContact OD1-N 3.1Å; F346-V387 HydrophobicContact CD1-CG2 3.65Å; F346-V387 HydrophobicContact CE1-CG2 3.7Å; I385-V387 HydrophobicContact CG2-CG2 4.2Å; V387-R392 HydrophobicContact CG1-CG 3.93Å; V387-Y396 HydrophobicContact CG1-CE2 4.35Å; V387-Y396 HydrophobicContact CG2-CE1 4.42Å
388P88.3Confident88.2Confident35 Ų3556.2 Ų56.223%0.22730%0.299CS..  trans-59148.6177.9-23.233.7000112.2S386 Y390 F391S386-P388 WeakPolarHBondContact O-CD 3.19Å; P388-Y390 HydrophobicContact CB-CD1 3.73Å; P388-Y390 HydrophobicContact CB-CE1 3.26Å; P388-Y390 HydrophobicContact CB-CE2 4.24Å; P388-Y390 HydrophobicContact CB-CG 4.37Å; P388-Y390 HydrophobicContact CG-CE1 4.17Å; P388-Y390 PolarHBondContact O-N 2.8Å; P388-F391 HydrophobicContact CG-CD2 4.07Å; P388-F391 PolarHBondContact O-N 2.85Å
389K85Confident88.5Confident146 Ų14653.3 Ų53.364%0.63528%0.283SS*.THydrogen-bonded Turntrans-54.3-29.5-175.9-69.3-177.8-179.9178.20113.7
390Y86.9Confident88.7Confident115 Ų11551.6 Ų51.645%0.45127%0.27SS..THydrogen-bonded Turntrans-84.4-18.1-179.257.8-90.4000114.6P388 M394P388-Y390 HydrophobicContact CB-CD1 3.73Å; P388-Y390 HydrophobicContact CB-CE1 3.26Å; P388-Y390 HydrophobicContact CB-CE2 4.24Å; P388-Y390 HydrophobicContact CB-CG 4.37Å; P388-Y390 HydrophobicContact CG-CE1 4.17Å; P388-Y390 PolarHBondContact O-N 2.8Å; Y390-M394 VanDerWaalsContact O-CE 3.29Å; Y390-M394 WeakPolarHBondContact O-CE 3.28Å
391F86.4Confident88.8Confident10 Ų1049.3 Ų49.34%0.04426%0.257CS..SBendtrans-97.73.9176.3-73.4-27.1000113.8D366 P367 E368 P388 M394 Y396D366-F391 HydrophobicContact CB-CD2 4.38Å; D366-F391 HydrophobicContact CB-CE2 3.87Å; D366-F391 HydrophobicContact CB-CZ 4.35Å; P367-F391 HydrophobicContact CB-CD1 4.2Å; P367-F391 HydrophobicContact CB-CE1 4.34Å; P367-F391 HydrophobicContact CG-CB 4.11Å; P367-F391 HydrophobicContact CG-CD1 3.83Å; P367-F391 HydrophobicContact CG-CE1 4.33Å; P367-F391 HydrophobicContact CG-CG 3.96Å; E368-F391 HydrophobicContact CB-CZ 4.35Å; E368-F391 HydrophobicContact CG-CE1 3.83Å; E368-F391 HydrophobicContact CG-CZ 3.84Å; E368-F391 WeakPolarHBondContact OE1-CE1 3.35Å; E368-F391 WeakPolarHBondContact OE1-CZ 3.28Å; P388-F391 HydrophobicContact CG-CD2 4.07Å; P388-F391 PolarHBondContact O-N 2.85Å; F391-M394 HydrophobicContact CD1-SD 4.05Å; F391-M394 WeakPolarHBondContact O-CB 3.44Å; F391-M394 PolarHBondContact O-N 3.34Å; F391-Y396 HydrophobicContact CB-CE2 4.01Å; F391-Y396 VanDerWaalsContact CB-OH 3.32Å; F391-Y396 WeakPolarHBondContact CB-OH 3.4Å
392R85.1Confident88.8Confident109 Ų10949.9 Ų49.941%0.41126%0.258SS..THydrogen-bonded Turntrans-64.1143.2175.7-65.5178.2177-163.4-6110.5P342 I343 V387 M394P342-R392 WeakPolarHBondContact O-CA 3.28Å; I343-R392 VanDerWaalsContact O-CD 3.25Å; I343-R392 WeakPolarHBondContact O-CD 3.46Å; I343-R392 WeakPolarHBondContact O-CG 3.5Å; I343-R392 PolarHBondContact O-NE 3.22Å; V387-R392 HydrophobicContact CG1-CG 3.93Å; R392-M394 PolarHBondContact O-N 3.47Å; R392-M394 VanDerWaalsContact O-N 3.11Å
393L84Confident88.2Confident96 Ų9650.8 Ų50.850%0.50326%0.258SS..THydrogen-bonded Turntrans62.72.4-175.3-61.5162.8000115.3E314 P342 I343E314-L393 HydrophobicContact CG-CD2 4.39Å; E314-L393 WeakPolarHBondContact OE1-CD2 3.36Å; P342-L393 PolarHBondContact O-N 3.41Å; I343-L393 HydrophobicContact CD1-CD2 4.21Å; I343-L393 HydrophobicContact CG1-CD2 3.7Å; I343-L393 HydrophobicContact CG1-CG 4.36Å
394M86.2Confident87Confident84 Ų8455 Ų5541%0.41428%0.276SS..SBendtrans-91.1150.4174.4-61.3-168.8-179.300111.2P367 Y390 F391 R392 Y396P367-M394 HydrophobicContact CB-CB 3.72Å; P367-M394 HydrophobicContact CB-SD 4.07Å; P367-M394 HydrophobicContact CG-CB 3.44Å; P367-M394 VanDerWaalsContact CG-CB 3.44Å; P367-M394 HydrophobicContact CG-CG 4.48Å; P367-M394 HydrophobicContact CG-SD 4.35Å; Y390-M394 VanDerWaalsContact O-CE 3.29Å; Y390-M394 WeakPolarHBondContact O-CE 3.28Å; F391-M394 HydrophobicContact CD1-SD 4.05Å; F391-M394 WeakPolarHBondContact O-CB 3.44Å; F391-M394 PolarHBondContact O-N 3.34Å; R392-M394 PolarHBondContact O-N 3.47Å; R392-M394 VanDerWaalsContact O-N 3.11Å; M394-Y396 PolarHBondContact O-N 3.43Å
395P90Very high84.8Confident62 Ų6253 Ų5340%0.40326%0.264SS..  trans-79.1112.7-174.731.2-34.1000112.5F339 Y340 K341F339-P395 HydrophobicContact CB-CB 4.48Å; F339-P395 HydrophobicContact CD1-CB 4.25Å; Y340-P395 CarbonylContact O-C 3.52Å; Y340-P395 WeakPolarHBondContact O-CA 3.44Å; K341-P395 HydrophobicContact CG-CB 4.31Å
396Y92.2Very high82.4Confident0 Ų060.1 Ų60.10%030%0.302CS..EExtended strand (participates in β ladder)trans-80.5144.7165-75.2-121.4000109F339 Y340 P342 F346 R365 P367 I372 I385 V387 F391 M394F339-Y396 WeakPolarHBondContact CA-O 3.38Å; Y340-Y396 PolarHBondContact N-O 2.8Å; Y340-Y396 PolarHBondContact O-N 2.66Å; P342-Y396 HydrophobicContact CG-CD2 3.49Å; P342-Y396 VanDerWaalsContact CG-CD2 3.49Å; P342-Y396 HydrophobicContact CG-CE2 3.57Å; P342-Y396 HydrophobicContact CG-CG 4.19Å; F346-Y396 HydrophobicContact CE1-CD1 4Å; F346-Y396 HydrophobicContact CE1-CE1 4.22Å; F346-Y396 HydrophobicContact CE1-CG 4.29Å; F346-Y396 AromaticContact CZ-CD1 3.96Å; F346-Y396 HydrophobicContact CZ-CD1 3.96Å; F346-Y396 HydrophobicContact CZ-CG 4.24Å; R365-Y396 WeakPolarHBondContact O-CA 3.46Å; P367-Y396 HydrophobicContact CG-CD2 3.97Å; P367-Y396 HydrophobicContact CG-CE2 3.82Å; I372-Y396 HydrophobicContact CD1-CD1 3.73Å; I372-Y396 HydrophobicContact CD1-CE1 3.4Å; I372-Y396 VanDerWaalsContact CD1-CE1 3.4Å; I385-Y396 HydrophobicContact CG2-CD1 4.34Å; I385-Y396 HydrophobicContact CG2-CE1 3.88Å; V387-Y396 HydrophobicContact CG1-CE2 4.35Å; V387-Y396 HydrophobicContact CG2-CE1 4.42Å; F391-Y396 HydrophobicContact CB-CE2 4.01Å; F391-Y396 VanDerWaalsContact CB-OH 3.32Å; F391-Y396 WeakPolarHBondContact CB-OH 3.4Å; M394-Y396 PolarHBondContact O-N 3.43Å
397A91.3Very high80.1Confident11 Ų1160.4 Ų60.49%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-106.4113.6177.400000110.9F339 I364 R365F339-A397 HydrophobicContact CD1-CB 4.02Å; F339-A397 HydrophobicContact CE1-CB 3.72Å; F339-A397 HydrophobicContact CZ-CB 4.39Å; I364-A397 WeakPolarHBondContact CA-O 3.38Å; R365-A397 HydrophobicContact CB-CB 4.35Å; R365-A397 PolarHBondContact N-O 2.74Å; R365-A397 PolarHBondContact O-N 2.89Å
398I91.8Very high77.9Confident16 Ų1668.1 Ų68.18%0.08235%0.35CS..EExtended strand (participates in β ladder)trans-98108176.8-55.6170.3000107.5L310 C337 Y338 F346 V348 I362 I364L310-I398 HydrophobicContact CD1-CD1 4.4Å; C337-I398 WeakPolarHBondContact CA-O 3.47Å; Y338-I398 PolarHBondContact N-O 3.17Å; Y338-I398 PolarHBondContact O-N 3.02Å; F346-I398 HydrophobicContact CE2-CD1 4.06Å; V348-I398 HydrophobicContact CG1-CG2 4.14Å; V348-I398 HydrophobicContact CG2-CD1 3.91Å; I362-I398 HydrophobicContact CD1-CG2 4.12Å; I364-I398 HydrophobicContact CG1-CG1 4.46Å; I364-I398 HydrophobicContact CG1-CG2 4.33Å
399C92.4Very high76Confident3 Ų370.9 Ų70.92%0.0236%0.363CS..EExtended strand (participates in β ladder)trans-112.2128.1-173.8-62.20000112.4H336 C337 I362 F363H336-C399 CarbonylContact O-C 3.53Å; H336-C399 WeakPolarHBondContact O-CA 3.14Å; C337-C399 HydrophobicContact CB-CB 4.14Å; C337-C399 WeakPolarHBondContact CB-SG 3.48Å; C337-C399 WeakPolarHBondContact SG-CB 3.19Å; C337-C399 CovalentContact SG-SG 2.04Å; C337-C399 PolarHBondContact SG-SG 3.1Å; I362-C399 WeakPolarHBondContact CA-O 3.34Å; F363-C399 HydrophobicContact CD1-CB 3.98Å; F363-C399 HydrophobicContact CD2-CB 3.77Å; F363-C399 HydrophobicContact CE1-CB 3.6Å; F363-C399 HydrophobicContact CE2-CB 3.37Å; F363-C399 WeakPolarHBondContact CE2-SG 3.47Å; F363-C399 HydrophobicContact CG-CB 4.06Å; F363-C399 HydrophobicContact CZ-CB 3.27Å; F363-C399 PolarHBondContact N-O 2.85Å; F363-C399 WeakPolarHBondContact O-CB 3.41Å; F363-C399 PolarHBondContact O-N 3.16Å
400L91.8Very high74.3Confident23 Ų2368 Ų6812%0.1235%0.354CS..EExtended strand (participates in β ladder)trans-99.2129.8172.3-60.6178000109.4V328 V330 K335 H336 Y338 I360 G361 I362V328-L400 HydrophobicContact CG2-CD1 3.78Å; V330-L400 HydrophobicContact CG2-CB 3.97Å; V330-L400 HydrophobicContact CG2-CD1 4.04Å; K335-L400 CarbonylContact C-O 3.48Å; K335-L400 WeakPolarHBondContact CA-O 3.31Å; K335-L400 WeakPolarHBondContact CB-O 3.35Å; H336-L400 PolarHBondContact N-O 3.47Å; H336-L400 PolarHBondContact O-N 2.62Å; Y338-L400 HydrophobicContact CE2-CD1 4.28Å; I360-L400 HydrophobicContact CD1-CB 3.9Å; I360-L400 HydrophobicContact CG1-CB 4.49Å; G361-L400 WeakPolarHBondContact O-CA 3.48Å; I362-L400 HydrophobicContact CB-CD2 4.36Å; I362-L400 HydrophobicContact CD1-CD2 4.07Å; I362-L400 HydrophobicContact CG1-CD2 4.15Å
401D89.8Confident72.6Confident16 Ų1667.1 Ų67.19%0.08635%0.35CS..EExtended strand (participates in β ladder)trans-120.4108.8-169.4-158.8-23.7000112K335 I360 G361 F363 R403K335-D401 HydrophobicContact CB-CB 4.35Å; I360-D401 WeakPolarHBondContact CG1-O 3.33Å; G361-D401 PolarHBondContact N-O 2.59Å; G361-D401 PolarHBondContact O-N 2.97Å; F363-D401 HydrophobicContact CD1-CB 4.38Å; F363-D401 HydrophobicContact CE1-CB 4.14Å; D401-R403 WeakPolarHBondContact OD1-CB 3.43Å; D401-R403 WeakPolarHBondContact OD1-CG 3.44Å; D401-R403 IonicContact OD1-CZ 3.3Å; D401-R403 PolarHBondContact OD1-N 3.44Å; D401-R403 IonicContact OD1-NE 3.09Å; D401-R403 PolarHBondContact OD1-NE 3.34Å; D401-R403 IonicContact OD1-NH2 2.68Å; D401-R403 IonicContact OD2-CZ 2.69Å; D401-R403 VanDerWaalsContact OD2-CZ 3.3Å; D401-R403 IonicContact OD2-NE 3.95Å; D401-R403 PolarHBondContact OD2-NE 3.39Å; D401-R403 VanDerWaalsContact OD2-NE 3.09Å; D401-R403 IonicContact OD2-NH2 3.86Å; D401-R403 PolarHBondContact OD2-NH2 2.84Å
402N87.2Confident71.2Confident39 Ų3974 Ų7421%0.20939%0.388CS..  trans-107.828176.8-164.34.3000111.6V330 P331 G333 V334 I360 K404V330-N402 HydrophobicContact CB-CB 4.31Å; V330-N402 HydrophobicContact CG1-CB 3.6Å; V330-N402 PolarHBondContact O-ND2 2.9Å; P331-N402 WeakPolarHBondContact O-CB 3.47Å; P331-N402 PolarHBondContact O-ND2 3.49Å; G333-N402 PolarHBondContact N-O 3.23Å; V334-N402 CarbonylContact O-C 3.56Å; V334-N402 WeakPolarHBondContact O-CA 3.37Å; V334-N402 PolarHBondContact O-N 3.12Å; I360-N402 HydrophobicContact CD1-CB 4.41Å; I360-N402 HydrophobicContact CG1-CB 4.5Å; N402-K404 PolarHBondContact O-N 3.49Å; N402-K404 VanDerWaalsContact O-N 3.12Å
403R76.8Confident69.7Low116 Ų11674.5 Ų74.544%0.43840%0.398SS..THydrogen-bonded Turntrans-75.215.3172.7-63.5179.9-64.1154.75.1114D401 A405D401-R403 WeakPolarHBondContact OD1-CB 3.43Å; D401-R403 WeakPolarHBondContact OD1-CG 3.44Å; D401-R403 IonicContact OD1-CZ 3.3Å; D401-R403 PolarHBondContact OD1-N 3.44Å; D401-R403 IonicContact OD1-NE 3.09Å; D401-R403 PolarHBondContact OD1-NE 3.34Å; D401-R403 IonicContact OD1-NH2 2.68Å; D401-R403 IonicContact OD2-CZ 2.69Å; D401-R403 VanDerWaalsContact OD2-CZ 3.3Å; D401-R403 IonicContact OD2-NE 3.95Å; D401-R403 PolarHBondContact OD2-NE 3.39Å; D401-R403 VanDerWaalsContact OD2-NE 3.09Å; D401-R403 IonicContact OD2-NH2 3.86Å; D401-R403 PolarHBondContact OD2-NH2 2.84Å; R403-A405 VanDerWaalsContact C-N 3.3Å
404K62.9Low68.6Low96 Ų9672 Ų7242%0.41739%0.388SS..THydrogen-bonded Turntrans-79.5-12.8171.9-150.9178.2-170.2171.10112.8D359 P377 N402D359-K404 WeakPolarHBondContact OD2-CD 3.39Å; D359-K404 WeakPolarHBondContact OD2-CE 3.31Å; D359-K404 IonicContact OD2-NZ 2.62Å; D359-K404 PolarHBondContact OD2-NZ 3.34Å; P377-K404 HydrophobicContact CB-CD 4Å; P377-K404 HydrophobicContact CG-CD 3.99Å; N402-K404 PolarHBondContact O-N 3.49Å; N402-K404 VanDerWaalsContact O-N 3.12Å
405A43.6Very low67.7Low37 Ų3770.7 Ų70.731%0.30639%0.387SS..SBendtrans-84.7118.617100000111.2P332 R403P332-A405 HydrophobicContact CB-CB 3.56Å; R403-A405 VanDerWaalsContact C-N 3.3Å
406N40.7Very low66.7Low155 Ų15573.1 Ų73.183%0.82939%0.393SS*.SBendtrans68.8142.2-173.1-65.3-26000116.2
407A41.3Very low65.5Low95 Ų9579.8 Ų79.879%0.78543%0.428SS*.SBendtrans68.162.6171.700000118.8L409A407-L409 VanDerWaalsContact C-N 3.31Å; A407-L409 PolarHBondContact O-N 3.04Å
408N42.1Very low64.1Low166 Ų16682.9 Ų82.989%0.88844%0.441SS*.  trans55.922.8135.3-156.245.8000119.4N410N408-N410 PolarHBondContact O-N 2.9Å; N408-N410 VanDerWaalsContact O-N 3.1Å
409L49.5Very low62.9Low93 Ų9389.2 Ų89.249%0.48746%0.463SS..  trans-76.797.6173.7-158.878.2000109.9A407 W411A407-L409 VanDerWaalsContact C-N 3.31Å; A407-L409 PolarHBondContact O-N 3.04Å; L409-W411 HydrophobicContact CD2-CH2 4.4Å; L409-W411 HydrophobicContact CD2-CZ2 3.81Å; L409-W411 VanDerWaalsContact O-CD1 3.28Å; L409-W411 PolarHBondContact O-N 3.45Å; L409-W411 VanDerWaalsContact O-N 3.1Å
410N48.9Very low61.8Low85 Ų8594 Ų9446%0.45549%0.485SS..  trans-77.694.5-180-173.99.8000111.1N408 D412 N413N408-N410 PolarHBondContact O-N 2.9Å; N408-N410 VanDerWaalsContact O-N 3.1Å; N410-D412 PolarHBondContact O-N 3.24Å; N410-D412 WeakPolarHBondContact OD1-CB 3.45Å; N410-D412 PolarHBondContact OD1-N 2.89Å; N410-D412 VanDerWaalsContact OD1-N 3.1Å; N410-N413 WeakPolarHBondContact ND2-CB 3.36Å; N410-N413 CarbonylContact O-C 3.56Å; N410-N413 PolarHBondContact O-N 3.5Å
411W50Low60.5Low98 Ų9895.2 Ų95.237%0.37150%0.499SS..THydrogen-bonded Turntrans-58.9-23.6176.2-67.890.3000113.8P376 P377 L409 N413P376-W411 HydrophobicContact CB-CE3 4.11Å; P377-W411 HydrophobicContact CG-CD2 4.21Å; P377-W411 HydrophobicContact CG-CH2 4.48Å; P377-W411 HydrophobicContact CG-CZ2 3.84Å; L409-W411 HydrophobicContact CD2-CH2 4.4Å; L409-W411 HydrophobicContact CD2-CZ2 3.81Å; L409-W411 VanDerWaalsContact O-CD1 3.28Å; L409-W411 PolarHBondContact O-N 3.45Å; L409-W411 VanDerWaalsContact O-N 3.1Å; W411-N413 VanDerWaalsContact C-N 3.31Å
412D57.5Low59.3Low155 Ų15598.8 Ų98.883%0.82952%0.517SS*.THydrogen-bonded Turntrans-81.2-11.6176.8-53.6-47000112.7N410N410-D412 PolarHBondContact O-N 3.24Å; N410-D412 WeakPolarHBondContact OD1-CB 3.45Å; N410-D412 PolarHBondContact OD1-N 2.89Å; N410-D412 VanDerWaalsContact OD1-N 3.1Å
413N54.9Low58.4Low118 Ų118101.2 Ų101.263%0.63153%0.527SS*.SBendtrans-144.872.6175.4-169.1101.8000110.9N410 W411N410-N413 WeakPolarHBondContact ND2-CB 3.36Å; N410-N413 CarbonylContact O-C 3.56Å; N410-N413 PolarHBondContact O-N 3.5Å; W411-N413 VanDerWaalsContact C-N 3.31Å
414P60.9Low57.9Low43 Ų43100.4 Ų100.428%0.27954%0.535SS..  trans-58.6152172.524.2-34.4000112E418 R419P414-E418 HydrophobicContact CB-CB 4.1Å; P414-R419 HydrophobicContact CB-CG 4.19Å; P414-R419 HydrophobicContact CG-CG 3.75Å
415S66.1Low57.7Low57 Ų5799.1 Ų99.140%0.39953%0.533SS..  trans-66.8159176.970.40000111.8L417 E418 R419S415-L417 PolarHBondContact O-N 3.45Å; S415-E418 WeakPolarHBondContact CB-OE2 3.2Å; S415-E418 PolarHBondContact N-OE2 3.04Å; S415-E418 PolarHBondContact O-N 2.95Å; S415-E418 VanDerWaalsContact OG-CD 3.31Å; S415-E418 WeakPolarHBondContact OG-CG 3.4Å; S415-E418 PolarHBondContact OG-OE2 2.94Å; S415-R419 WeakPolarHBondContact O-CG 3.37Å; S415-R419 PolarHBondContact O-N 3.37Å
416E69.2Low58.3Low113 Ų113106.5 Ų106.553%0.52855%0.552SS.*Hα-helixtrans-57.4-34-178.2-175.455.7-152.600112.7Q420E416-Q420 VanDerWaalsContact O-CG 3.28Å; E416-Q420 WeakPolarHBondContact O-CG 3.13Å; E416-Q420 PolarHBondContact O-N 3.04Å; E416-Q420 PolarHBondContact OE1-NE2 3.31Å
417L67.5Low59.2Low140 Ų140104 Ų10473%0.73354%0.539SS*.Hα-helixtrans-67-41.8175.7-159.387.7000112.1S415 Q420 A421S415-L417 PolarHBondContact O-N 3.45Å; L417-Q420 PolarHBondContact O-N 2.86Å; L417-A421 PolarHBondContact O-N 2.9Å
418E61.6Low59.7Low77 Ų77103.5 Ų103.536%0.3652%0.523SS..Hα-helixtrans-70.7-38.1178.1-67.8163.3124.900111.3P414 S415 Q420 A421 I422P414-E418 HydrophobicContact CB-CB 4.1Å; S415-E418 WeakPolarHBondContact CB-OE2 3.2Å; S415-E418 PolarHBondContact N-OE2 3.04Å; S415-E418 PolarHBondContact O-N 2.95Å; S415-E418 VanDerWaalsContact OG-CD 3.31Å; S415-E418 WeakPolarHBondContact OG-CG 3.4Å; S415-E418 PolarHBondContact OG-OE2 2.94Å; E418-Q420 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 3.4Å; E418-A421 PolarHBondContact O-N 3.05Å; E418-I422 WeakPolarHBondContact O-CD1 3.48Å; E418-I422 VanDerWaalsContact O-CG1 3.28Å; E418-I422 WeakPolarHBondContact O-CG1 3.5Å; E418-I422 PolarHBondContact O-N 2.92Å
419R66.3Low60Low148 Ų148100 Ų10056%0.55851%0.51SS*.Hα-helixtrans-59.9-44.9172.5-70.3-173.770.8-171.31.3111.5P414 S415 I422 E423P414-R419 HydrophobicContact CB-CG 4.19Å; P414-R419 HydrophobicContact CG-CG 3.75Å; S415-R419 WeakPolarHBondContact O-CG 3.37Å; S415-R419 PolarHBondContact O-N 3.37Å; R419-I422 PolarHBondContact O-N 2.69Å; R419-E423 VanDerWaalsContact O-CB 3.31Å; R419-E423 WeakPolarHBondContact O-CB 3.4Å; R419-E423 PolarHBondContact O-N 3.24Å
420Q69Low60Low104 Ų104100 Ų10049%0.48651%0.51SS..Hα-helixtrans-64.3-40177.5-72.3174.419.200111.7E416 L417 E418 E423 T424E416-Q420 VanDerWaalsContact O-CG 3.28Å; E416-Q420 WeakPolarHBondContact O-CG 3.13Å; E416-Q420 PolarHBondContact O-N 3.04Å; E416-Q420 PolarHBondContact OE1-NE2 3.31Å; L417-Q420 PolarHBondContact O-N 2.86Å; E418-Q420 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 3.4Å; Q420-E423 PolarHBondContact O-N 2.68Å; Q420-T424 WeakPolarHBondContact O-CG2 3.38Å; Q420-T424 PolarHBondContact O-N 3.09Å; Q420-T424 PolarHBondContact O-OG1 2.88Å; Q420-T424 VanDerWaalsContact O-OG1 3.09Å
421A65Low60Low49 Ų49101.5 Ų101.541%0.40552%0.522SS..Hα-helixtrans-64.5-41.1174.600000113.3L417 E418 E423 T424 L425L417-A421 PolarHBondContact O-N 2.9Å; E418-A421 PolarHBondContact O-N 3.05Å; A421-E423 VanDerWaalsContact C-N 3.34Å; A421-T424 PolarHBondContact O-OG1 3.48Å; A421-T424 VanDerWaalsContact O-OG1 3.13Å; A421-L425 WeakPolarHBondContact O-CD1 3.32Å; A421-L425 WeakPolarHBondContact O-CG 3.4Å; A421-L425 PolarHBondContact O-N 3.07Å
422I64.6Low59.8Low90 Ų90103.6 Ų103.646%0.46254%0.54SS..Hα-helixtrans-65.4-39.4176-68.7163.6000110.8E418 R419 R426E418-I422 WeakPolarHBondContact O-CD1 3.48Å; E418-I422 VanDerWaalsContact O-CG1 3.28Å; E418-I422 WeakPolarHBondContact O-CG1 3.5Å; E418-I422 PolarHBondContact O-N 2.92Å; R419-I422 PolarHBondContact O-N 2.69Å; I422-R426 WeakPolarHBondContact O-CB 3.47Å; I422-R426 PolarHBondContact O-N 2.99Å
423E68.2Low59.2Low90 Ų90100 Ų10042%0.42153%0.527SS..Hα-helixtrans-80.1-29.2-175.7-16359.1-157.500113.1R419 Q420 A421 R426 N427R419-E423 VanDerWaalsContact O-CB 3.31Å; R419-E423 WeakPolarHBondContact O-CB 3.4Å; R419-E423 PolarHBondContact O-N 3.24Å; Q420-E423 PolarHBondContact O-N 2.68Å; A421-E423 VanDerWaalsContact C-N 3.34Å; E423-R426 PolarHBondContact O-N 3Å; E423-R426 WeakPolarHBondContact OE2-CD 3.48Å; E423-N427 VanDerWaalsContact CD-ND2 3.32Å; E423-N427 WeakPolarHBondContact CG-ND2 3.46Å; E423-N427 WeakPolarHBondContact O-CB 2.88Å; E423-N427 PolarHBondContact O-N 3.33Å; E423-N427 VanDerWaalsContact O-N 3.12Å; E423-N427 PolarHBondContact O-ND2 2.84Å; E423-N427 PolarHBondContact OE1-ND2 2.76Å
424T65.8Low58.7Low99 Ų99100 Ų10061%0.60752%0.523SS*.Hα-helixtrans-70.2-38.1169.752.30000112.1Q420 A421 N428Q420-T424 WeakPolarHBondContact O-CG2 3.38Å; Q420-T424 PolarHBondContact O-N 3.09Å; Q420-T424 PolarHBondContact O-OG1 2.88Å; Q420-T424 VanDerWaalsContact O-OG1 3.09Å; A421-T424 PolarHBondContact O-OG1 3.48Å; A421-T424 VanDerWaalsContact O-OG1 3.13Å; T424-N428 PolarHBondContact O-N 3.12Å
425L58.4Low58Low70 Ų70102.2 Ų102.237%0.36655%0.545SS..Hα-helixtrans-62.8-44171.1-74.4165.5000111.5P371 I374 A421 N427P371-L425 HydrophobicContact CG-CD1 3.88Å; P371-L425 HydrophobicContact CG-CD2 4.23Å; I374-L425 HydrophobicContact CD1-CD1 4.23Å; A421-L425 WeakPolarHBondContact O-CD1 3.32Å; A421-L425 WeakPolarHBondContact O-CG 3.4Å; A421-L425 PolarHBondContact O-N 3.07Å; L425-N427 VanDerWaalsContact C-N 3.33Å; L425-N427 PolarHBondContact O-N 3.49Å
426R57.2Low57Low191 Ų191108.6 Ų108.672%0.72157%0.569SS**Hα-helixtrans-60.6-39178.8-171.5-176.3-168.8114.67.4113.3I422 E423I422-R426 WeakPolarHBondContact O-CB 3.47Å; I422-R426 PolarHBondContact O-N 2.99Å; E423-R426 PolarHBondContact O-N 3Å; E423-R426 WeakPolarHBondContact OE2-CD 3.48Å
427N59.9Low55.8Low103 Ų103108.1 Ų108.155%0.55158%0.584SS**THydrogen-bonded Turntrans-97.58.2-171.7-67.8-55.9000114.4E423 L425 P429E423-N427 VanDerWaalsContact CD-ND2 3.32Å; E423-N427 WeakPolarHBondContact CG-ND2 3.46Å; E423-N427 WeakPolarHBondContact O-CB 2.88Å; E423-N427 PolarHBondContact O-N 3.33Å; E423-N427 VanDerWaalsContact O-N 3.12Å; E423-N427 PolarHBondContact O-ND2 2.84Å; E423-N427 PolarHBondContact OE1-ND2 2.76Å; L425-N427 VanDerWaalsContact C-N 3.33Å; L425-N427 PolarHBondContact O-N 3.49Å; N427-P429 VanDerWaalsContact O-CD 3.27Å; N427-P429 WeakPolarHBondContact O-CD 3.18Å
428N50Low54.4Low84 Ų84104.7 Ų104.745%0.44958%0.576SS.*  trans-76.6111.1174.9-170.8-14.7000110.5T424 L430T424-N428 PolarHBondContact O-N 3.12Å; N428-L430 PolarHBondContact O-N 3.5Å; N428-L430 VanDerWaalsContact O-N 3.11Å; N428-L430 WeakPolarHBondContact OD1-CB 3.22Å; N428-L430 PolarHBondContact OD1-N 2.84Å
429P48.8Very low53.4Low93 Ų93106.6 Ų106.660%0.60460%0.598SS**THydrogen-bonded Turntrans-70.3-11-170.829.6-36.3000114.2N427 V431 N432 S433N427-P429 VanDerWaalsContact O-CD 3.27Å; N427-P429 WeakPolarHBondContact O-CD 3.18Å; P429-V431 PolarHBondContact O-N 3.41Å; P429-N432 PolarHBondContact O-N 3.01Å; P429-S433 PolarHBondContact O-N 3.3Å; P429-S433 PolarHBondContact O-OG 2.74Å
430L49.7Very low52.5Low94 Ų94104.2 Ų104.249%0.49261%0.61SS.*Hα-helixtrans-57.8-34.6-175.6-153.674.5000113.1N428 N432N428-L430 PolarHBondContact O-N 3.5Å; N428-L430 VanDerWaalsContact O-N 3.11Å; N428-L430 WeakPolarHBondContact OD1-CB 3.22Å; N428-L430 PolarHBondContact OD1-N 2.84Å; L430-N432 VanDerWaalsContact C-N 3.3Å; L430-N432 PolarHBondContact O-N 2.83Å
431V50.2Low51.6Low116 Ų116107.8 Ų107.870%0.70363%0.626SS**Hα-helixtrans-64.2-32.9-178-178.40000112.4P429P429-V431 PolarHBondContact O-N 3.41Å
432N44.6Very low50.7Low141 Ų141113.7 Ų113.775%0.75465%0.645SS**Hα-helixtrans-100-20.6-173.2-65.9-29.7000113.6P429 L430P429-N432 PolarHBondContact O-N 3.01Å; L430-N432 VanDerWaalsContact C-N 3.3Å; L430-N432 PolarHBondContact O-N 2.83Å
433S46.2Very low50.1Low79 Ų79111.1 Ų111.155%0.55264%0.638SS**Hα-helixtrans-91-21.8-172.555.30000115.1P429 A435P429-S433 PolarHBondContact O-N 3.3Å; P429-S433 PolarHBondContact O-OG 2.74Å; S433-A435 VanDerWaalsContact C-N 3.31Å; S433-A435 PolarHBondContact O-N 3.41Å
434Q42.5Very low49.6Very low119 Ų119113.2 Ų113.256%0.55665%0.647SS**THydrogen-bonded Turntrans-87.28.6-168.2-160.1158-1.600114.9
435A46.4Very low49.1Very low90 Ų90115 Ų11574%0.74465%0.653SS**THydrogen-bonded Turntrans-91-10.8-17100000116.3S433S433-A435 VanDerWaalsContact C-N 3.31Å; S433-A435 PolarHBondContact O-N 3.41Å
436Q45.1Very low49Very low191 Ų191116.4 Ų116.489%0.89366%0.66SS**SBendtrans-114.72.8-161.8-71.8-175.1-2100117
437A44.6Very low49.2Very low102 Ų102111 Ų11184%0.84365%0.646SS**SBendtrans-122.226.6-160.600000116.7
438A39.1Very low49.1Very low69 Ų69111.5 Ų111.557%0.5764%0.643SS**SBendtrans-14118.8-157.200000120.2
439S40.1Very low49.6Very low117 Ų117112.6 Ų112.682%0.81865%0.648SS**  trans-165.2104.2168.352.80000114.1
440A46.3Very low50.4Low98 Ų98113.2 Ų113.281%0.8164%0.644SS**  trans-160.286.8170.800000112.1
441E50.5Low51.2Low178 Ų178111.2 Ų111.283%0.83264%0.641SS**SBendtrans-166.8-24.8159.5-129.3-175.2122.900116.4
442H47.5Very low51.7Low174 Ų174112.2 Ų112.281%0.80664%0.638SS**SBendtrans-13224.9-168.8-82.833.7000114.3
443A51.7Low52.7Low36 Ų36108.8 Ų108.830%0.29862%0.619SS.*  trans-107.6-29-157.500000115.4N445 I446 D447A443-N445 PolarHBondContact O-N 2.96Å; A443-I446 PolarHBondContact O-N 3Å; A443-D447 VanDerWaalsContact C-CG 3.5Å; A443-D447 WeakPolarHBondContact CB-OD1 3.27Å; A443-D447 WeakPolarHBondContact CB-OD2 3.38Å; A443-D447 VanDerWaalsContact O-CG 3.24Å; A443-D447 PolarHBondContact O-N 3.09Å
444E57.4Low53.9Low133 Ų133110 Ų11062%0.62162%0.619SS**Hα-helixtrans-54.4-34.6-156.6-154.3-153.2131.500117.6D447 K448E444-D447 PolarHBondContact N-OD2 3.13Å; E444-K448 WeakPolarHBondContact O-CD 3.43Å; E444-K448 VanDerWaalsContact O-CE 3.27Å; E444-K448 WeakPolarHBondContact O-CE 3.42Å; E444-K448 WeakPolarHBondContact O-CG 3.47Å; E444-K448 IonicContact OE1-NZ 2.64Å; E444-K448 PolarHBondContact OE1-NZ 3.03Å
445N55.1Low55.4Low136 Ų136109.3 Ų109.373%0.72762%0.619SS**Hα-helixtrans-90-17.8178.7-90.2-7.6000113.9A443A443-N445 PolarHBondContact O-N 2.96Å
446I57Low56.4Low101 Ų101109.8 Ų109.852%0.51861%0.608SS.*Hα-helixtrans-88.5-37.9173.1-65.9175.2000109.3A443 K448 L449 M450A443-I446 PolarHBondContact O-N 3Å; I446-K448 VanDerWaalsContact C-N 3.29Å; I446-K448 PolarHBondContact O-N 2.92Å; I446-L449 PolarHBondContact O-N 3.37Å; I446-M450 HydrophobicContact CG2-CE 3.58Å; I446-M450 HydrophobicContact CG2-CG 3.84Å; I446-M450 HydrophobicContact CG2-SD 3.64Å; I446-M450 PolarHBondContact O-N 3.24Å
447D59.9Low58Low78 Ų78105.7 Ų105.742%0.41759%0.588SS.*Hα-helixtrans-52.8-42.7176-68.5-26000112.9A443 E444 L449 M450 A451A443-D447 VanDerWaalsContact C-CG 3.5Å; A443-D447 WeakPolarHBondContact CB-OD1 3.27Å; A443-D447 WeakPolarHBondContact CB-OD2 3.38Å; A443-D447 VanDerWaalsContact O-CG 3.24Å; A443-D447 PolarHBondContact O-N 3.09Å; E444-D447 PolarHBondContact N-OD2 3.13Å; D447-L449 PolarHBondContact O-N 2.98Å; D447-M450 PolarHBondContact O-N 3.07Å; D447-A451 WeakPolarHBondContact O-CB 3.49Å; D447-A451 PolarHBondContact O-N 3.15Å
448K58.2Low59.4Low112 Ų112102.6 Ų102.649%0.48757%0.566SS.*Hα-helixtrans-64.9-25.5-178.8-68.2164.7-167.2163.30112.7E444 I446 Q452E444-K448 WeakPolarHBondContact O-CD 3.43Å; E444-K448 VanDerWaalsContact O-CE 3.27Å; E444-K448 WeakPolarHBondContact O-CE 3.42Å; E444-K448 WeakPolarHBondContact O-CG 3.47Å; E444-K448 IonicContact OE1-NZ 2.64Å; E444-K448 PolarHBondContact OE1-NZ 3.03Å; I446-K448 VanDerWaalsContact C-N 3.29Å; I446-K448 PolarHBondContact O-N 2.92Å; K448-Q452 WeakPolarHBondContact O-CG 3.49Å
449L60.2Low60.8Low107 Ų107107.2 Ų107.256%0.5657%0.568SS**Hα-helixtrans-93.1-37.8174.8-174.3143.9000111.7I446 D447 Q452 L453I446-L449 PolarHBondContact O-N 3.37Å; D447-L449 PolarHBondContact O-N 2.98Å; L449-Q452 PolarHBondContact O-N 2.83Å; L449-L453 HydrophobicContact CD2-CD1 3.67Å; L449-L453 HydrophobicContact CD2-CG 4.43Å; L449-L453 WeakPolarHBondContact O-CG 3.08Å; L449-L453 PolarHBondContact O-N 3.21Å
450M66Low62.2Low106 Ų106105.6 Ų105.652%0.52255%0.55SS.*Hα-helixtrans-64.3-46.6174.5-76.4-172171.500111.9I446 D447 Q452 L453 D454I446-M450 HydrophobicContact CG2-CE 3.58Å; I446-M450 HydrophobicContact CG2-CG 3.84Å; I446-M450 HydrophobicContact CG2-SD 3.64Å; I446-M450 PolarHBondContact O-N 3.24Å; D447-M450 PolarHBondContact O-N 3.07Å; M450-Q452 VanDerWaalsContact C-N 3.29Å; M450-Q452 PolarHBondContact O-N 2.94Å; M450-L453 CarbonylContact O-C 3.49Å; M450-L453 WeakPolarHBondContact O-CA 3.26Å; M450-L453 WeakPolarHBondContact O-CB 3.38Å; M450-L453 PolarHBondContact O-N 2.85Å; M450-D454 PolarHBondContact O-N 3.23Å
451A67Low63.3Low52 Ų52107.5 Ų107.543%0.4354%0.536SS..Hα-helixtrans-62.2-34.2178.300000113D447 I455D447-A451 WeakPolarHBondContact O-CB 3.49Å; D447-A451 PolarHBondContact O-N 3.15Å; A451-I455 WeakPolarHBondContact O-CD1 3.34Å; A451-I455 VanDerWaalsContact O-CG1 3.3Å; A451-I455 WeakPolarHBondContact O-CG1 3.43Å; A451-I455 PolarHBondContact O-N 3.32Å
452Q60.7Low64.4Low137 Ų137107.4 Ų107.464%0.6453%0.528SS*.Hα-helixtrans-67.9-41.5172.2-72.4-178.53.500111.5K448 L449 M450 L456K448-Q452 WeakPolarHBondContact O-CG 3.49Å; L449-Q452 PolarHBondContact O-N 2.83Å; M450-Q452 VanDerWaalsContact C-N 3.29Å; M450-Q452 PolarHBondContact O-N 2.94Å; Q452-L456 PolarHBondContact O-N 2.73Å
453L66.2Low65.6Low69 Ų69104 Ų10436%0.36152%0.515SS..Hα-helixtrans-66.8-39.7174-75176.1000112.6L449 M450 I455 L456 F457L449-L453 HydrophobicContact CD2-CD1 3.67Å; L449-L453 HydrophobicContact CD2-CG 4.43Å; L449-L453 WeakPolarHBondContact O-CG 3.08Å; L449-L453 PolarHBondContact O-N 3.21Å; M450-L453 CarbonylContact O-C 3.49Å; M450-L453 WeakPolarHBondContact O-CA 3.26Å; M450-L453 WeakPolarHBondContact O-CB 3.38Å; M450-L453 PolarHBondContact O-N 2.85Å; L453-I455 VanDerWaalsContact C-N 3.33Å; L453-I455 PolarHBondContact O-N 3.29Å; L453-L456 CarbonylContact O-C 3.47Å; L453-L456 WeakPolarHBondContact O-CA 3.47Å; L453-L456 WeakPolarHBondContact O-CB 3.38Å; L453-L456 PolarHBondContact O-N 3.27Å; L453-L456 VanDerWaalsContact O-N 3.07Å; L453-F457 HydrophobicContact CB-CD2 4.02Å; L453-F457 HydrophobicContact CB-CE2 3.84Å; L453-F457 HydrophobicContact CD1-CE2 4.48Å; L453-F457 HydrophobicContact CD2-CE2 4.29Å; L453-F457 HydrophobicContact CG-CE2 4.44Å; L453-F457 WeakPolarHBondContact O-CB 3.33Å; L453-F457 WeakPolarHBondContact O-CD2 3.07Å; L453-F457 WeakPolarHBondContact O-CG 3.46Å; L453-F457 PolarHBondContact O-N 3.22Å
454D70Confident66.5Low104 Ų104107.5 Ų107.556%0.55653%0.525SS*.Hα-helixtrans-65.2-35.6179.5-76-35.8000112.1M450 L456 G458M450-D454 PolarHBondContact O-N 3.23Å; D454-L456 VanDerWaalsContact C-N 3.33Å; D454-G458 WeakPolarHBondContact O-CA 3.42Å; D454-G458 PolarHBondContact O-N 3.41Å
455I74.5Confident67.2Low105 Ų105104.1 Ų104.154%0.53851%0.509SS..Hα-helixtrans-66.9-36.9172.2-66.7165.6000110.8A451 L453 R459A451-I455 WeakPolarHBondContact O-CD1 3.34Å; A451-I455 VanDerWaalsContact O-CG1 3.3Å; A451-I455 WeakPolarHBondContact O-CG1 3.43Å; A451-I455 PolarHBondContact O-N 3.32Å; L453-I455 VanDerWaalsContact C-N 3.33Å; L453-I455 PolarHBondContact O-N 3.29Å; I455-R459 VanDerWaalsContact O-CG 3.24Å; I455-R459 WeakPolarHBondContact O-CG 3.33Å; I455-R459 PolarHBondContact O-N 3.05Å
456L68.6Low68Low100 Ų100102.9 Ų102.952%0.52450%0.501SS..Hα-helixtrans-70.5-49.4175.2-90.2155.7000112.1Q452 L453 D454 G458 R459 L460Q452-L456 PolarHBondContact O-N 2.73Å; L453-L456 CarbonylContact O-C 3.47Å; L453-L456 WeakPolarHBondContact O-CA 3.47Å; L453-L456 WeakPolarHBondContact O-CB 3.38Å; L453-L456 PolarHBondContact O-N 3.27Å; L453-L456 VanDerWaalsContact O-N 3.07Å; D454-L456 VanDerWaalsContact C-N 3.33Å; L456-G458 VanDerWaalsContact C-N 3.35Å; L456-G458 PolarHBondContact O-N 3.4Å; L456-R459 WeakPolarHBondContact O-CB 3.45Å; L456-R459 PolarHBondContact O-N 3.46Å; L456-R459 VanDerWaalsContact O-N 3.16Å; L456-L460 WeakPolarHBondContact O-CG 3.49Å; L456-L460 PolarHBondContact O-N 2.89Å
457F77.4Confident68.7Low105 Ų105104.3 Ų104.346%0.46151%0.505SS..Hα-helixtrans-63.2-37.8175.9-70.8-53.3000112L453 R459 L460 R461L453-F457 HydrophobicContact CB-CD2 4.02Å; L453-F457 HydrophobicContact CB-CE2 3.84Å; L453-F457 HydrophobicContact CD1-CE2 4.48Å; L453-F457 HydrophobicContact CD2-CE2 4.29Å; L453-F457 HydrophobicContact CG-CE2 4.44Å; L453-F457 WeakPolarHBondContact O-CB 3.33Å; L453-F457 WeakPolarHBondContact O-CD2 3.07Å; L453-F457 WeakPolarHBondContact O-CG 3.46Å; L453-F457 PolarHBondContact O-N 3.22Å; F457-R459 VanDerWaalsContact C-N 3.31Å; F457-R459 PolarHBondContact O-N 3.36Å; F457-L460 HydrophobicContact CD1-CD1 4.4Å; F457-L460 PolarHBondContact O-N 3.46Å; F457-R461 WeakPolarHBondContact O-CB 3.25Å; F457-R461 PolarHBondContact O-N 3.14Å
458G74.2Confident69.2Low37 Ų37104.5 Ų104.538%0.38150%0.504SS..Hα-helixtrans-64.8-32.3173.500000113.4D454 L456 R462D454-G458 WeakPolarHBondContact O-CA 3.42Å; D454-G458 PolarHBondContact O-N 3.41Å; L456-G458 VanDerWaalsContact C-N 3.35Å; L456-G458 PolarHBondContact O-N 3.4Å; G458-R462 WeakPolarHBondContact O-CB 3.21Å; G458-R462 PolarHBondContact O-N 3.35Å
459R67.7Low69.9Low166 Ų166103.4 Ų103.463%0.62650%0.496SS*.Hα-helixtrans-74.5-46.1171.7-72.6171.1-175.1-150.11.3111.8I455 L456 F457 R462 I463I455-R459 VanDerWaalsContact O-CG 3.24Å; I455-R459 WeakPolarHBondContact O-CG 3.33Å; I455-R459 PolarHBondContact O-N 3.05Å; L456-R459 WeakPolarHBondContact O-CB 3.45Å; L456-R459 PolarHBondContact O-N 3.46Å; L456-R459 VanDerWaalsContact O-N 3.16Å; F457-R459 VanDerWaalsContact C-N 3.31Å; F457-R459 PolarHBondContact O-N 3.36Å; R459-R462 PolarHBondContact O-N 3.27Å; R459-I463 WeakPolarHBondContact O-CG1 3.34Å; R459-I463 PolarHBondContact O-N 3.12Å
460L70.5Confident70.7Confident84 Ų84101.7 Ų101.744%0.4449%0.493SS..Hα-helixtrans-60.9-51.3177.9-72.5167.3000111.4L456 F457 R462 I463 E464L456-L460 WeakPolarHBondContact O-CG 3.49Å; L456-L460 PolarHBondContact O-N 2.89Å; F457-L460 HydrophobicContact CD1-CD1 4.4Å; F457-L460 PolarHBondContact O-N 3.46Å; L460-R462 VanDerWaalsContact C-N 3.27Å; L460-R462 PolarHBondContact O-N 3.27Å; L460-I463 CarbonylContact O-C 3.49Å; L460-I463 WeakPolarHBondContact O-CA 3.46Å; L460-I463 WeakPolarHBondContact O-CB 3.23Å; L460-I463 PolarHBondContact O-N 2.79Å; L460-E464 WeakPolarHBondContact O-CG 3.4Å; L460-E464 PolarHBondContact O-N 3.4Å
461R69.4Low71.4Confident137 Ų13798.9 Ų98.952%0.51748%0.484SS..Hα-helixtrans-55.2-41.5176-172.7175.9-61.3155.56.3111.8F457 E464 H465F457-R461 WeakPolarHBondContact O-CB 3.25Å; F457-R461 PolarHBondContact O-N 3.14Å; R461-E464 PolarHBondContact O-N 3.21Å; R461-H465 PolarHBondContact O-CD2 3.35Å; R461-H465 PolarHBondContact O-N 3Å
462R73.2Confident71.8Confident176 Ų17698.2 Ų98.266%0.66447%0.473SS*.Hα-helixtrans-63.7-38.8174.5179.8174.9-72.4152.8-1112.5G458 R459 L460 M466G458-R462 WeakPolarHBondContact O-CB 3.21Å; G458-R462 PolarHBondContact O-N 3.35Å; R459-R462 PolarHBondContact O-N 3.27Å; L460-R462 VanDerWaalsContact C-N 3.27Å; L460-R462 PolarHBondContact O-N 3.27Å; R462-M466 WeakPolarHBondContact O-CG 3.49Å; R462-M466 PolarHBondContact O-N 2.88Å
463I73.8Confident72.6Confident102 Ų10296.1 Ų96.152%0.52346%0.462SS..Hα-helixtrans-67.7-42.9175.5-66.8162.6000110.3R459 L460 M466 Q467R459-I463 WeakPolarHBondContact O-CG1 3.34Å; R459-I463 PolarHBondContact O-N 3.12Å; L460-I463 CarbonylContact O-C 3.49Å; L460-I463 WeakPolarHBondContact O-CA 3.46Å; L460-I463 WeakPolarHBondContact O-CB 3.23Å; L460-I463 PolarHBondContact O-N 2.79Å; I463-M466 PolarHBondContact O-N 2.97Å; I463-Q467 WeakPolarHBondContact O-CB 3.21Å; I463-Q467 PolarHBondContact O-N 2.84Å
464E69.3Low73.2Confident111 Ų11198.5 Ų98.552%0.51948%0.475SS..Hα-helixtrans-63.7-46179-70.3169.4160.100112.5L460 R461 M466 Q467 Q468L460-E464 WeakPolarHBondContact O-CG 3.4Å; L460-E464 PolarHBondContact O-N 3.4Å; R461-E464 PolarHBondContact O-N 3.21Å; E464-M466 VanDerWaalsContact C-N 3.34Å; E464-M466 PolarHBondContact O-N 2.94Å; E464-Q467 PolarHBondContact O-N 2.04Å; E464-Q468 PolarHBondContact O-N 2.84Å
465H73.3Confident73.7Confident62 Ų6296.9 Ų96.929%0.28747%0.472SS..Hα-helixtrans-58.3-44172-78.8-77.7000111.5E349 R461 Q467 Q468 R469E349-H465 IonicContact OE2-CE1 3.53Å; E349-H465 IonicContact OE2-ND1 2.87Å; E349-H465 PolarHBondContact OE2-ND1 3.45Å; R461-H465 PolarHBondContact O-CD2 3.35Å; R461-H465 PolarHBondContact O-N 3Å; H465-Q467 VanDerWaalsContact C-N 3.35Å; H465-Q467 PolarHBondContact O-N 3.36Å; H465-Q468 PolarHBondContact O-N 3.43Å; H465-R469 WeakPolarHBondContact O-CB 3.39Å; H465-R469 PolarHBondContact O-N 3.3Å
466M70.8Confident73.9Confident110 Ų11092.7 Ų92.754%0.54245%0.453SS..Hα-helixtrans-65.1-38.8178.1-69.5-67.6-179.600112R462 I463 E464 R469 S470R462-M466 WeakPolarHBondContact O-CG 3.49Å; R462-M466 PolarHBondContact O-N 2.88Å; I463-M466 PolarHBondContact O-N 2.97Å; E464-M466 VanDerWaalsContact C-N 3.34Å; E464-M466 PolarHBondContact O-N 2.94Å; M466-R469 PolarHBondContact O-N 2.86Å; M466-S470 PolarHBondContact O-N 3.18Å
467Q71.4Confident74.6Confident131 Ų13192.7 Ų92.761%0.61245%0.454SS*.Hα-helixtrans-67.2-45.6178-172.7170.2-14.400111.5I463 E464 H465 S470 S471I463-Q467 WeakPolarHBondContact O-CB 3.21Å; I463-Q467 PolarHBondContact O-N 2.84Å; E464-Q467 PolarHBondContact O-N 2.04Å; H465-Q467 VanDerWaalsContact C-N 3.35Å; H465-Q467 PolarHBondContact O-N 3.36Å; Q467-S470 PolarHBondContact O-N 3.01Å; Q467-S470 PolarHBondContact O-OG 2.69Å; Q467-S471 PolarHBondContact O-N 3Å
468Q70.1Confident75Confident82 Ų8293.1 Ų93.138%0.38346%0.456SS..Hα-helixtrans-67.1-36174.8-173.258.738.700112.2E464 H465 S470 S471 N472E464-Q468 PolarHBondContact O-N 2.84Å; H465-Q468 PolarHBondContact O-N 3.43Å; Q468-S470 VanDerWaalsContact C-N 3.28Å; Q468-S470 PolarHBondContact O-N 3.28Å; Q468-S471 PolarHBondContact NE2-OG 3.39Å; Q468-S471 PolarHBondContact O-N 2.85Å; Q468-S471 PolarHBondContact O-OG 3.1Å; Q468-N472 PolarHBondContact NE2-OD1 2.87Å; Q468-N472 VanDerWaalsContact O-CG 3.3Å; Q468-N472 PolarHBondContact O-N 3.11Å; Q468-N472 PolarHBondContact O-OD1 3.48Å
469R74.2Confident75.3Confident89 Ų8992 Ų9234%0.33644%0.442SS..Hα-helixtrans-62.6-36.7174.5-168.9171.3-171.3150.213.1111.6D380 H465 M466 F473D380-R469 IonicContact OD2-NH2 2.9Å; D380-R469 PolarHBondContact OD2-NH2 3.47Å; H465-R469 WeakPolarHBondContact O-CB 3.39Å; H465-R469 PolarHBondContact O-N 3.3Å; M466-R469 PolarHBondContact O-N 2.86Å; R469-F473 HydrophobicContact CG-CD2 3.86Å; R469-F473 HydrophobicContact CG-CE2 3.58Å; R469-F473 HydrophobicContact CG-CZ 4.42Å; R469-F473 WeakPolarHBondContact O-CD2 3.42Å; R469-F473 PolarHBondContact O-N 3.03Å
470S76.5Confident75.9Confident71 Ų7188.2 Ų88.250%0.49743%0.434SS..Hα-helixtrans-65.9-39.7176.275.60000113.5M466 Q467 Q468 F473 D474M466-S470 PolarHBondContact O-N 3.18Å; Q467-S470 PolarHBondContact O-N 3.01Å; Q467-S470 PolarHBondContact O-OG 2.69Å; Q468-S470 VanDerWaalsContact C-N 3.28Å; Q468-S470 PolarHBondContact O-N 3.28Å; S470-F473 PolarHBondContact O-N 3.4Å; S470-D474 PolarHBondContact O-N 3.45Å
471S80.3Confident76.4Confident47 Ų4790.1 Ų90.133%0.32944%0.442SS..Hα-helixtrans-74.4-31.3177.861.20000113Q467 Q468 S475Q467-S471 PolarHBondContact O-N 3Å; Q468-S471 PolarHBondContact NE2-OG 3.39Å; Q468-S471 PolarHBondContact O-N 2.85Å; Q468-S471 PolarHBondContact O-OG 3.1Å; S471-S475 WeakPolarHBondContact O-CB 3.12Å; S471-S475 PolarHBondContact O-N 3.32Å; S471-S475 VanDerWaalsContact O-N 3.12Å; S471-S475 PolarHBondContact O-OG 3.36Å
472N74.9Confident77.1Confident38 Ų3888.1 Ų88.120%0.20344%0.438CS..Hα-helixtrans-65.5-41.8168.6-66.4-0.6000111.6Q351 Q468 S475 A476Q351-N472 PolarHBondContact OE1-ND2 3.41Å; Q468-N472 PolarHBondContact NE2-OD1 2.87Å; Q468-N472 VanDerWaalsContact O-CG 3.3Å; Q468-N472 PolarHBondContact O-N 3.11Å; Q468-N472 PolarHBondContact O-OD1 3.48Å; N472-S475 WeakPolarHBondContact O-CB 3.3Å; N472-S475 PolarHBondContact O-N 2.84Å; N472-A476 WeakPolarHBondContact O-CB 3.4Å; N472-A476 PolarHBondContact O-N 3.32Å
473F78.4Confident77.3Confident92 Ų9285 Ų8540%0.40443%0.431SS..Hα-helixtrans-64-47.2176.2-82.1-52000112.3R469 S470 S475 A476 D477R469-F473 HydrophobicContact CG-CD2 3.86Å; R469-F473 HydrophobicContact CG-CE2 3.58Å; R469-F473 HydrophobicContact CG-CZ 4.42Å; R469-F473 WeakPolarHBondContact O-CD2 3.42Å; R469-F473 PolarHBondContact O-N 3.03Å; S470-F473 PolarHBondContact O-N 3.4Å; F473-S475 PolarHBondContact O-N 2.99Å; F473-A476 PolarHBondContact O-N 3.38Å; F473-D477 WeakPolarHBondContact O-CB 3.32Å; F473-D477 PolarHBondContact O-N 2.85Å
474D79.4Confident77.4Confident119 Ų11984.9 Ų84.964%0.63643%0.431SS*.Hα-helixtrans-55.8-39.8174.4-177.954.6000111.7S470 K478S470-D474 PolarHBondContact O-N 3.45Å; D474-K478 WeakPolarHBondContact O-CB 3.45Å; D474-K478 PolarHBondContact O-N 2.84Å
475S80.5Confident77.9Confident70 Ų7084.2 Ų84.249%0.4943%0.431SS..Hα-helixtrans-66.2-38175.1-58.40000113.2S471 N472 F473 S479S471-S475 WeakPolarHBondContact O-CB 3.12Å; S471-S475 PolarHBondContact O-N 3.32Å; S471-S475 VanDerWaalsContact O-N 3.12Å; S471-S475 PolarHBondContact O-OG 3.36Å; N472-S475 WeakPolarHBondContact O-CB 3.3Å; N472-S475 PolarHBondContact O-N 2.84Å; F473-S475 PolarHBondContact O-N 2.99Å; S475-S479 PolarHBondContact O-N 3.22Å
476A78.6Confident78.3Confident18 Ų1888 Ų8815%0.14945%0.449CS..Hα-helixtrans-73.3-49.1178.700000111.8N472 F473 K478 S479 L480N472-A476 WeakPolarHBondContact O-CB 3.4Å; N472-A476 PolarHBondContact O-N 3.32Å; F473-A476 PolarHBondContact O-N 3.38Å; A476-K478 VanDerWaalsContact C-N 3.31Å; A476-K478 PolarHBondContact O-N 3.3Å; A476-S479 WeakPolarHBondContact O-CB 3.29Å; A476-S479 PolarHBondContact O-N 2.97Å; A476-S479 PolarHBondContact O-OG 3.37Å; A476-L480 PolarHBondContact O-N 2.78Å
477D82.6Confident78.7Confident100 Ų10091.7 Ų91.754%0.53546%0.457SS..Hα-helixtrans-60.7-40.9178.2-75.8-12.5000111.3F473 S479 L480 M481F473-D477 WeakPolarHBondContact O-CB 3.32Å; F473-D477 PolarHBondContact O-N 2.85Å; D477-S479 VanDerWaalsContact C-N 3.31Å; D477-S479 PolarHBondContact O-N 2.89Å; D477-L480 PolarHBondContact O-N 3.26Å; D477-M481 WeakPolarHBondContact O-CB 3.17Å; D477-M481 PolarHBondContact O-N 2.92Å
478K85.1Confident79.1Confident114 Ų11490.7 Ų90.750%0.49646%0.455SS..Hα-helixtrans-56.8-44.4171176.2172.6174.2175.50112.2D474 A476 M481 E482D474-K478 WeakPolarHBondContact O-CB 3.45Å; D474-K478 PolarHBondContact O-N 2.84Å; A476-K478 VanDerWaalsContact C-N 3.31Å; A476-K478 PolarHBondContact O-N 3.3Å; K478-M481 PolarHBondContact O-N 3.39Å; K478-E482 WeakPolarHBondContact CE-OE1 3.48Å; K478-E482 HydrophobicContact CG-CG 4.45Å; K478-E482 IonicContact NZ-OE1 3.53Å; K478-E482 WeakPolarHBondContact O-CG 3.33Å; K478-E482 PolarHBondContact O-N 3.05Å
479S81.9Confident79.8Confident13 Ų1389.7 Ų89.79%0.09145%0.454CS..Hα-helixtrans-67.9-36.4-178.680.50000113.1S475 A476 D477 E482 E483S475-S479 PolarHBondContact O-N 3.22Å; A476-S479 WeakPolarHBondContact O-CB 3.29Å; A476-S479 PolarHBondContact O-N 2.97Å; A476-S479 PolarHBondContact O-OG 3.37Å; D477-S479 VanDerWaalsContact C-N 3.31Å; D477-S479 PolarHBondContact O-N 2.89Å; S479-E482 PolarHBondContact O-N 2.84Å; S479-E483 PolarHBondContact O-N 2.95Å
480L80.2Confident80.2Confident87 Ų8789.8 Ų89.846%0.45546%0.464SS..Hα-helixtrans-68.1-35.5172.5-67.2171.6000111.8A476 D477 N484A476-L480 PolarHBondContact O-N 2.78Å; D477-L480 PolarHBondContact O-N 3.26Å; L480-N484 PolarHBondContact O-N 3.14Å; L480-N484 PolarHBondContact O-ND2 3.2Å
481M80.4Confident80.6Confident123 Ų12388.4 Ų88.461%0.60646%0.462SS*.Hα-helixtrans-67.5-43.3173.7-174.2-179.362.800111.7D477 K478 N484 L485D477-M481 WeakPolarHBondContact O-CB 3.17Å; D477-M481 PolarHBondContact O-N 2.92Å; K478-M481 PolarHBondContact O-N 3.39Å; M481-N484 PolarHBondContact O-N 3.38Å; M481-L485 WeakPolarHBondContact O-CB 3.33Å; M481-L485 PolarHBondContact O-N 3.43Å
482E83.5Confident81Confident95 Ų9588.7 Ų88.744%0.44446%0.464SS..Hα-helixtrans-59.9-46.9179.7-76.6172172.600112.2K478 S479 N484 L485 E486K478-E482 WeakPolarHBondContact CE-OE1 3.48Å; K478-E482 HydrophobicContact CG-CG 4.45Å; K478-E482 IonicContact NZ-OE1 3.53Å; K478-E482 WeakPolarHBondContact O-CG 3.33Å; K478-E482 PolarHBondContact O-N 3.05Å; S479-E482 PolarHBondContact O-N 2.84Å; E482-N484 PolarHBondContact O-N 3.47Å; E482-L485 PolarHBondContact O-N 3.25Å; E482-E486 PolarHBondContact O-N 3Å
483E78.5Confident81.6Confident110 Ų11092.3 Ų92.351%0.51448%0.483SS..Hα-helixtrans-66.9-35.7-179.6-70.3174.2-158.100112.8K354 S479K354-E483 IonicContact NZ-OE1 3.91Å; K354-E483 PolarHBondContact NZ-OE1 2.92Å; S479-E483 PolarHBondContact O-N 2.95Å
484N75.7Confident82Confident100 Ų10095 Ų9554%0.53550%0.495SS..Hα-helixtrans-70.5-40.4171.9-80-69.8000111.9L480 M481 E482 I488L480-N484 PolarHBondContact O-N 3.14Å; L480-N484 PolarHBondContact O-ND2 3.2Å; M481-N484 PolarHBondContact O-N 3.38Å; E482-N484 PolarHBondContact O-N 3.47Å; N484-I488 WeakPolarHBondContact O-CB 3.43Å; N484-I488 WeakPolarHBondContact O-CD1 3.42Å; N484-I488 VanDerWaalsContact O-CG1 3.31Å; N484-I488 WeakPolarHBondContact O-CG1 3.41Å; N484-I488 PolarHBondContact O-N 3.24Å
485L79.8Confident82.4Confident97 Ų9794.7 Ų94.751%0.50849%0.489SS..Hα-helixtrans-64.8-44.8-178.9-174.768.7000111.7M481 E482 R487 I488 T489M481-L485 WeakPolarHBondContact O-CB 3.33Å; M481-L485 PolarHBondContact O-N 3.43Å; E482-L485 PolarHBondContact O-N 3.25Å; L485-R487 PolarHBondContact O-N 3.5Å; L485-I488 PolarHBondContact O-N 3.15Å; L485-T489 HydrophobicContact CD1-CG2 3.64Å; L485-T489 HydrophobicContact CG-CG2 3.94Å; L485-T489 VanDerWaalsContact O-CB 3.28Å; L485-T489 WeakPolarHBondContact O-CB 3.36Å; L485-T489 VanDerWaalsContact O-CG2 3.26Å; L485-T489 WeakPolarHBondContact O-CG2 3.41Å; L485-T489 PolarHBondContact O-N 3.19Å; L485-T489 PolarHBondContact O-OG1 2.85Å
486E80.8Confident82.9Confident141 Ų14195.1 Ų95.166%0.65949%0.489SS*.Hα-helixtrans-59.1-46.3179-174.2177.3-177.100111.7E482 T489 T490E482-E486 PolarHBondContact O-N 3Å; E486-T489 PolarHBondContact O-OG1 3.48Å; E486-T490 VanDerWaalsContact O-CB 3.3Å; E486-T490 WeakPolarHBondContact O-CB 3.31Å; E486-T490 PolarHBondContact O-N 2.85Å; E486-T490 PolarHBondContact O-OG1 3.36Å
487R79.6Confident83.5Confident189 Ų18998.3 Ų98.371%0.71351%0.506SS*.Hα-helixtrans-66-42.5179.2-170.1176179.3-169.6-1.3112.5L485 G491L485-R487 PolarHBondContact O-N 3.5Å; R487-G491 PolarHBondContact O-N 2.54Å
488I80Confident83.9Confident110 Ų11095.9 Ų95.956%0.56449%0.493SS*.Hα-helixtrans-73.9-40.5-178.9-69.2163.9000111.8N484 L485 G491 S492N484-I488 WeakPolarHBondContact O-CB 3.43Å; N484-I488 WeakPolarHBondContact O-CD1 3.42Å; N484-I488 VanDerWaalsContact O-CG1 3.31Å; N484-I488 WeakPolarHBondContact O-CG1 3.41Å; N484-I488 PolarHBondContact O-N 3.24Å; L485-I488 PolarHBondContact O-N 3.15Å; I488-G491 PolarHBondContact O-N 2.89Å; I488-S492 PolarHBondContact O-N 3.22Å; I488-S492 PolarHBondContact O-OG 3.31Å
489T84.4Confident84.1Confident61 Ų6196.4 Ų96.437%0.37450%0.499SS..Hα-helixtrans-67.2-40.7177.552.70000111.7L485 E486 G491 S492 L493L485-T489 HydrophobicContact CD1-CG2 3.64Å; L485-T489 HydrophobicContact CG-CG2 3.94Å; L485-T489 VanDerWaalsContact O-CB 3.28Å; L485-T489 WeakPolarHBondContact O-CB 3.36Å; L485-T489 VanDerWaalsContact O-CG2 3.26Å; L485-T489 WeakPolarHBondContact O-CG2 3.41Å; L485-T489 PolarHBondContact O-N 3.19Å; L485-T489 PolarHBondContact O-OG1 2.85Å; E486-T489 PolarHBondContact O-OG1 3.48Å; T489-G491 VanDerWaalsContact C-N 3.34Å; T489-G491 PolarHBondContact O-N 3.11Å; T489-S492 PolarHBondContact O-N 3.3Å; T489-S492 PolarHBondContact O-OG 3.31Å; T489-L493 WeakPolarHBondContact O-CB 3.43Å; T489-L493 PolarHBondContact O-N 3.11Å
490T82.1Confident84.7Confident90 Ų90100.7 Ų100.755%0.55252%0.519SS*.Hα-helixtrans-59.7-44.3175.4-59.80000111.6E486 F494E486-T490 VanDerWaalsContact O-CB 3.3Å; E486-T490 WeakPolarHBondContact O-CB 3.31Å; E486-T490 PolarHBondContact O-N 2.85Å; E486-T490 PolarHBondContact O-OG1 3.36Å; T490-F494 PolarHBondContact O-N 2.87Å; T490-F494 VanDerWaalsContact O-N 3.16Å
491G86.3Confident85.2Confident43 Ų4398.7 Ų98.744%0.44352%0.516SS..Hα-helixtrans-65.4-47.5177.100000113.6R487 I488 T489 F494 Q495R487-G491 PolarHBondContact O-N 2.54Å; I488-G491 PolarHBondContact O-N 2.89Å; T489-G491 VanDerWaalsContact C-N 3.34Å; T489-G491 PolarHBondContact O-N 3.11Å; G491-F494 PolarHBondContact O-N 2.85Å; G491-Q495 PolarHBondContact O-N 3.35Å; G491-Q495 VanDerWaalsContact O-N 3.11Å
492S87.5Confident85.8Confident53 Ų5395.5 Ų95.537%0.37150%0.503SS..Hα-helixtrans-71-34.8-179.7610000112.9I488 T489 Q495 V496I488-S492 PolarHBondContact O-N 3.22Å; I488-S492 PolarHBondContact O-OG 3.31Å; T489-S492 PolarHBondContact O-N 3.3Å; T489-S492 PolarHBondContact O-OG 3.31Å; S492-Q495 WeakPolarHBondContact O-CB 3.29Å; S492-Q495 PolarHBondContact O-N 2.81Å; S492-V496 WeakPolarHBondContact O-CG2 3.45Å; S492-V496 PolarHBondContact O-N 3.13Å
493L87.3Confident86.2Confident114 Ų11493.1 Ų93.160%0.59750%0.499SS*.Hα-helixtrans-61.6-44.1172.9-178.862.2000111.4T489 Q495 V496 V497T489-L493 WeakPolarHBondContact O-CB 3.43Å; T489-L493 PolarHBondContact O-N 3.11Å; L493-Q495 VanDerWaalsContact C-N 3.34Å; L493-Q495 PolarHBondContact O-N 2.85Å; L493-V496 PolarHBondContact O-N 3.07Å; L493-V497 WeakPolarHBondContact O-CG2 3.39Å; L493-V497 PolarHBondContact O-N 3.37Å
494F88.7Confident86.7Confident149 Ų14992.1 Ų92.165%0.65450%0.501SS*.Hα-helixtrans-60.7-42.4174.1-177.9-97.3000111.9T490 G491 V497 L498T490-F494 PolarHBondContact O-N 2.87Å; T490-F494 VanDerWaalsContact O-N 3.16Å; G491-F494 PolarHBondContact O-N 2.85Å; F494-V497 PolarHBondContact O-N 3.43Å; F494-L498 WeakPolarHBondContact O-CB 3.09Å; F494-L498 PolarHBondContact O-N 3.35Å
495Q87.9Confident87.3Confident111 Ų11191.7 Ų91.752%0.51950%0.502SS..Hα-helixtrans-62.5-41.9175.4-171.6-176.99.100112.4G491 S492 L493 L498 M499G491-Q495 PolarHBondContact O-N 3.35Å; G491-Q495 VanDerWaalsContact O-N 3.11Å; S492-Q495 WeakPolarHBondContact O-CB 3.29Å; S492-Q495 PolarHBondContact O-N 2.81Å; L493-Q495 VanDerWaalsContact C-N 3.34Å; L493-Q495 PolarHBondContact O-N 2.85Å; Q495-L498 PolarHBondContact O-N 2.93Å; Q495-M499 WeakPolarHBondContact O-CG 3.5Å; Q495-M499 PolarHBondContact O-N 3.33Å
496V89.6Confident87.7Confident80 Ų8092.2 Ų92.249%0.48550%0.502SS..Hα-helixtrans-65.4-44176.8169.30000111.3S492 L493 L498 M499 I500S492-V496 WeakPolarHBondContact O-CG2 3.45Å; S492-V496 PolarHBondContact O-N 3.13Å; L493-V496 PolarHBondContact O-N 3.07Å; V496-L498 VanDerWaalsContact C-N 3.33Å; V496-L498 PolarHBondContact O-N 3.04Å; V496-M499 PolarHBondContact O-N 2.93Å; V496-I500 HydrophobicContact CG1-CD1 3.89Å; V496-I500 WeakPolarHBondContact O-CG1 3.15Å; V496-I500 PolarHBondContact O-N 3.35Å
497V90.9Very high88.2Confident85 Ų8588.4 Ų88.452%0.51549%0.488SS..Hα-helixtrans-60.8-42.8175.1170.20000111.1L493 F494 I500 A501L493-V497 WeakPolarHBondContact O-CG2 3.39Å; L493-V497 PolarHBondContact O-N 3.37Å; F494-V497 PolarHBondContact O-N 3.43Å; V497-I500 PolarHBondContact O-N 2.8Å; V497-A501 WeakPolarHBondContact O-CB 3.46Å; V497-A501 PolarHBondContact O-N 3.33Å
498L91.6Very high88.5Confident48 Ų4880.7 Ų80.725%0.25147%0.467SS..Hα-helixtrans-61.8-43.817517863.8000112F11 T15 F494 Q495 V496 I500 A501 V502F11-L498 HydrophobicContact CE1-CD1 4.15Å; F11-L498 HydrophobicContact CE1-CD2 4.13Å; T15-L498 HydrophobicContact CG2-CD2 4.09Å; F494-L498 WeakPolarHBondContact O-CB 3.09Å; F494-L498 PolarHBondContact O-N 3.35Å; Q495-L498 PolarHBondContact O-N 2.93Å; V496-L498 VanDerWaalsContact C-N 3.33Å; V496-L498 PolarHBondContact O-N 3.04Å; L498-I500 PolarHBondContact O-N 3.25Å; L498-A501 PolarHBondContact O-N 3.43Å; L498-V502 HydrophobicContact CD1-CG2 4.42Å; L498-V502 WeakPolarHBondContact O-CG2 3.25Å; L498-V502 PolarHBondContact O-N 3.25Å
499M90.6Very high88.6Confident126 Ų12680.3 Ų80.362%0.62147%0.466SS*.Hα-helixtrans-62-40.6176.3-77.2-62.5-62.400112.4Q495 V496 V502 A503Q495-M499 WeakPolarHBondContact O-CG 3.5Å; Q495-M499 PolarHBondContact O-N 3.33Å; V496-M499 PolarHBondContact O-N 2.93Å; M499-V502 PolarHBondContact O-N 3.01Å; M499-A503 WeakPolarHBondContact O-CB 3.24Å; M499-A503 PolarHBondContact O-N 3.12Å
500I92.6Very high88.8Confident102 Ų10282.5 Ų82.552%0.52347%0.474SS..Hα-helixtrans-66.5-40.4175.6-66.8165.2000111V496 V497 L498 A503 T504V496-I500 HydrophobicContact CG1-CD1 3.89Å; V496-I500 WeakPolarHBondContact O-CG1 3.15Å; V496-I500 PolarHBondContact O-N 3.35Å; V497-I500 PolarHBondContact O-N 2.8Å; L498-I500 PolarHBondContact O-N 3.25Å; I500-A503 PolarHBondContact O-N 3.11Å; I500-T504 WeakPolarHBondContact O-CG2 3.48Å; I500-T504 PolarHBondContact O-N 3.31Å; I500-T504 PolarHBondContact O-OG1 2.84Å
501A90.6Very high88.9Confident46 Ų4686.8 Ų86.838%0.3848%0.48SS..Hα-helixtrans-62.5-44.1174.600000111.9V497 L498 T504 V505V497-A501 WeakPolarHBondContact O-CB 3.46Å; V497-A501 PolarHBondContact O-N 3.33Å; L498-A501 PolarHBondContact O-N 3.43Å; A501-T504 PolarHBondContact O-OG1 2.92Å; A501-V505 WeakPolarHBondContact O-CG2 3.37Å; A501-V505 PolarHBondContact O-N 2.89Å; A501-V505 VanDerWaalsContact O-N 3.09Å
502V93.3Very high88.4Confident55 Ų5585.8 Ų85.833%0.33347%0.467SS..Hα-helixtrans-63.9-44.7175.5170.90000111.2L498 M499 T504 V505 Q506L498-V502 HydrophobicContact CD1-CG2 4.42Å; L498-V502 WeakPolarHBondContact O-CG2 3.25Å; L498-V502 PolarHBondContact O-N 3.25Å; M499-V502 PolarHBondContact O-N 3.01Å; V502-T504 PolarHBondContact O-N 2.99Å; V502-V505 PolarHBondContact O-N 3.45Å; V502-Q506 HydrophobicContact CG1-CG 4.35Å; V502-Q506 VanDerWaalsContact O-CG 3.31Å; V502-Q506 WeakPolarHBondContact O-CG 3.5Å; V502-Q506 PolarHBondContact O-N 2.67Å
503A91.7Very high87.8Confident45 Ų4590 Ų9037%0.37248%0.484SS..Hα-helixtrans-62.7-42.9178.600000112.6M499 I500 Q506 V507M499-A503 WeakPolarHBondContact O-CB 3.24Å; M499-A503 PolarHBondContact O-N 3.12Å; I500-A503 PolarHBondContact O-N 3.11Å; A503-Q506 PolarHBondContact O-N 3.1Å; A503-V507 WeakPolarHBondContact O-CB 3.41Å; A503-V507 WeakPolarHBondContact O-CG2 3.34Å; A503-V507 PolarHBondContact O-N 3.19Å
504T89.8Confident87.2Confident89 Ų8992.6 Ų92.655%0.54649%0.491SS..Hα-helixtrans-65.6-38176.850.10000112.3I500 A501 V502 G508I500-T504 WeakPolarHBondContact O-CG2 3.48Å; I500-T504 PolarHBondContact O-N 3.31Å; I500-T504 PolarHBondContact O-OG1 2.84Å; A501-T504 PolarHBondContact O-OG1 2.92Å; V502-T504 PolarHBondContact O-N 2.99Å; T504-G508 PolarHBondContact O-N 3.16Å
505V88.2Confident86.1Confident92 Ų9289 Ų8956%0.55848%0.478SS*.Hα-helixtrans-65.2-45.2172.5171.10000111.7A501 V502 G508 L509A501-V505 WeakPolarHBondContact O-CG2 3.37Å; A501-V505 PolarHBondContact O-N 2.89Å; A501-V505 VanDerWaalsContact O-N 3.09Å; V502-V505 PolarHBondContact O-N 3.45Å; V505-G508 PolarHBondContact O-N 3.07Å; V505-L509 HydrophobicContact CG1-CD1 4.02Å; V505-L509 HydrophobicContact CG1-CG 4.41Å; V505-L509 WeakPolarHBondContact O-CG 3.45Å; V505-L509 PolarHBondContact O-N 3.21Å
506Q89.3Confident84.7Confident108 Ų10893.2 Ų93.251%0.50550%0.498SS..Hα-helixtrans-58.7-49.9176.8-74.2174.83.500111.8V502 A503 G508 L509 I510V502-Q506 HydrophobicContact CG1-CG 4.35Å; V502-Q506 VanDerWaalsContact O-CG 3.31Å; V502-Q506 WeakPolarHBondContact O-CG 3.5Å; V502-Q506 PolarHBondContact O-N 2.67Å; A503-Q506 PolarHBondContact O-N 3.1Å; Q506-G508 VanDerWaalsContact C-N 3.31Å; Q506-G508 PolarHBondContact O-N 2.8Å; Q506-L509 PolarHBondContact O-N 2.73Å; Q506-I510 WeakPolarHBondContact O-CG1 3.43Å; Q506-I510 PolarHBondContact O-N 3.1Å
507V90.8Very high83.3Confident60 Ų6098.4 Ų98.436%0.36451%0.514SS..Hα-helixtrans-64.4-36.2178172.80000111.5A503 R511A503-V507 WeakPolarHBondContact O-CB 3.41Å; A503-V507 WeakPolarHBondContact O-CG2 3.34Å; A503-V507 PolarHBondContact O-N 3.19Å; V507-R511 WeakPolarHBondContact O-CB 3.45Å; V507-R511 WeakPolarHBondContact O-CG 3.3Å; V507-R511 PolarHBondContact O-N 3.44Å
508G84.8Confident81.7Confident28 Ų2895.9 Ų95.929%0.28950%0.5SS..Hα-helixtrans-62.8-45.6173.700000113T504 V505 Q506 R511 S512T504-G508 PolarHBondContact O-N 3.16Å; V505-G508 PolarHBondContact O-N 3.07Å; Q506-G508 VanDerWaalsContact C-N 3.31Å; Q506-G508 PolarHBondContact O-N 2.8Å; G508-R511 PolarHBondContact O-N 3.47Å; G508-S512 VanDerWaalsContact O-CB 3.28Å; G508-S512 WeakPolarHBondContact O-CB 3.2Å; G508-S512 PolarHBondContact O-N 3.38Å
509L83.5Confident80.3Confident101 Ų101103.1 Ų103.153%0.52953%0.526SS..Hα-helixtrans-64.5-42.2177-71.6171.7000112.3V505 Q506 S512 L513V505-L509 HydrophobicContact CG1-CD1 4.02Å; V505-L509 HydrophobicContact CG1-CG 4.41Å; V505-L509 WeakPolarHBondContact O-CG 3.45Å; V505-L509 PolarHBondContact O-N 3.21Å; Q506-L509 PolarHBondContact O-N 2.73Å; L509-S512 PolarHBondContact O-N 2.84Å; L509-L513 PolarHBondContact O-N 3.42Å
510I87.3Confident78.9Confident107 Ų107102.7 Ų102.755%0.54952%0.52SS..Hα-helixtrans-63.7-46.6177-66.8165.3000110.5Q506 S512 L513 F514Q506-I510 WeakPolarHBondContact O-CG1 3.43Å; Q506-I510 PolarHBondContact O-N 3.1Å; I510-S512 VanDerWaalsContact C-N 3.35Å; I510-S512 PolarHBondContact O-N 2.94Å; I510-L513 WeakPolarHBondContact O-CB 3.45Å; I510-L513 PolarHBondContact O-N 2.89Å; I510-L513 VanDerWaalsContact O-N 3.16Å; I510-F514 HydrophobicContact CG2-CE2 4.27Å; I510-F514 WeakPolarHBondContact O-CD2 3.15Å
511R84.5Confident77.5Confident180 Ų180105.3 Ų105.368%0.67953%0.525SS*.Hα-helixtrans-63.4-39.8176.6-72.9175.4179.4155.82.8112.2V507 G508 L513 F514 D515V507-R511 WeakPolarHBondContact O-CB 3.45Å; V507-R511 WeakPolarHBondContact O-CG 3.3Å; V507-R511 PolarHBondContact O-N 3.44Å; G508-R511 PolarHBondContact O-N 3.47Å; R511-L513 PolarHBondContact O-N 3Å; R511-F514 PolarHBondContact O-N 3.34Å; R511-D515 PolarHBondContact O-N 3.48Å; R511-D515 VanDerWaalsContact O-N 3.08Å
512S76.8Confident76.3Confident23 Ų23110.6 Ų110.616%0.16154%0.539CS..Hα-helixtrans-64.7-16.3175.5-179.10000114.3G508 L509 I510 F520G508-S512 VanDerWaalsContact O-CB 3.28Å; G508-S512 WeakPolarHBondContact O-CB 3.2Å; G508-S512 PolarHBondContact O-N 3.38Å; L509-S512 PolarHBondContact O-N 2.84Å; I510-S512 VanDerWaalsContact C-N 3.35Å; I510-S512 PolarHBondContact O-N 2.94Å; S512-F520 WeakPolarHBondContact OG-CB 3.41Å
513L73.9Confident75.2Confident141 Ų141114.6 Ų114.674%0.73856%0.558SS**Hα-helixtrans-82.4-25.1176.6-167.8141.5000112.2L509 I510 R511L509-L513 PolarHBondContact O-N 3.42Å; I510-L513 WeakPolarHBondContact O-CB 3.45Å; I510-L513 PolarHBondContact O-N 2.89Å; I510-L513 VanDerWaalsContact O-N 3.16Å; R511-L513 PolarHBondContact O-N 3Å
514F75.4Confident73.9Confident168 Ų168122 Ų12274%0.73758%0.576SS**Hα-helixtrans-94.1-28.6176.1-66.6-73.7000113.5I510 R511 Q516I510-F514 HydrophobicContact CG2-CE2 4.27Å; I510-F514 WeakPolarHBondContact O-CD2 3.15Å; R511-F514 PolarHBondContact O-N 3.34Å; F514-Q516 PolarHBondContact O-N 3.3Å
515D64.1Low72.9Confident73 Ų73122.5 Ų122.539%0.3957%0.571SS.*  trans-87.6102.6176173.231.5000112.7R511 K517 S518R511-D515 PolarHBondContact O-N 3.48Å; R511-D515 VanDerWaalsContact O-N 3.08Å; D515-K517 PolarHBondContact O-N 3.22Å; D515-K517 WeakPolarHBondContact OD1-CB 3.46Å; D515-K517 PolarHBondContact OD1-N 3.28Å; D515-S518 WeakPolarHBondContact O-CB 3.34Å; D515-S518 PolarHBondContact O-N 3.07Å; D515-S518 VanDerWaalsContact O-N 3.14Å; D515-S518 WeakPolarHBondContact OD2-CA 3.39Å; D515-S518 VanDerWaalsContact OD2-CB 3.32Å; D515-S518 WeakPolarHBondContact OD2-CB 3.02Å; D515-S518 PolarHBondContact OD2-N 2.78Å; D515-S518 PolarHBondContact OD2-OG 3.03Å
516Q59.2Low71.6Confident201 Ų201120.8 Ų120.894%0.93957%0.572SS**THydrogen-bonded Turntrans-63.6-5.5174.9-71.5-175.1-28.400114.9F514F514-Q516 PolarHBondContact O-N 3.3Å
517K60.3Low70.2Confident188 Ų188125.7 Ų125.782%0.81759%0.591SS**THydrogen-bonded Turntrans-105.30.3175.6-66.9178.4178.5174.80113.9D515 Y519D515-K517 PolarHBondContact O-N 3.22Å; D515-K517 WeakPolarHBondContact OD1-CB 3.46Å; D515-K517 PolarHBondContact OD1-N 3.28Å; K517-Y519 PolarHBondContact O-N 3.43Å
518S58.1Low68.6Low32 Ų32134 Ų13422%0.22462%0.616CS.*  trans-68.7130.1-176.1-92.40000113.7D515 F520 Y521D515-S518 WeakPolarHBondContact O-CB 3.34Å; D515-S518 PolarHBondContact O-N 3.07Å; D515-S518 VanDerWaalsContact O-N 3.14Å; D515-S518 WeakPolarHBondContact OD2-CA 3.39Å; D515-S518 VanDerWaalsContact OD2-CB 3.32Å; D515-S518 WeakPolarHBondContact OD2-CB 3.02Å; D515-S518 PolarHBondContact OD2-N 2.78Å; D515-S518 PolarHBondContact OD2-OG 3.03Å; S518-F520 PolarHBondContact O-N 2.73Å; S518-Y521 PolarHBondContact O-N 2.87Å; S518-Y521 VanDerWaalsContact O-N 3.14Å
519Y60.7Low67.1Low200 Ų200137.6 Ų137.678%0.78464%0.637SS**Hα-helixtrans-55.8-24.4-179.1-83-95.3000114.3K517 Y521 K522 I523K517-Y519 PolarHBondContact O-N 3.43Å; Y519-Y521 VanDerWaalsContact C-N 3.26Å; Y519-Y521 PolarHBondContact O-N 3.32Å; Y519-K522 WeakPolarHBondContact O-CB 3.43Å; Y519-K522 PolarHBondContact O-N 2.82Å; Y519-I523 PolarHBondContact O-N 3.24Å
520F62.9Low65.7Low117 Ų117141.8 Ų141.851%0.51365%0.654SS.*Hα-helixtrans-61.8-28.2178.2-76.6-84.4000113.6S512 S518 K522 I523 W524S512-F520 WeakPolarHBondContact OG-CB 3.41Å; S518-F520 PolarHBondContact O-N 2.73Å; F520-K522 VanDerWaalsContact C-N 3.31Å; F520-K522 PolarHBondContact O-N 3.06Å; F520-I523 HydrophobicContact CD1-CG2 4.09Å; F520-I523 PolarHBondContact O-N 3.48Å; F520-W524 WeakPolarHBondContact O-CB 3.27Å; F520-W524 PolarHBondContact O-N 3.03Å
521Y61.5Low64Low157 Ų157144.2 Ų144.262%0.61667%0.668SS**Hα-helixtrans-62.5-40.5172-170.2-83.4000111.3S518 Y519 F525S518-Y521 PolarHBondContact O-N 2.87Å; S518-Y521 VanDerWaalsContact O-N 3.14Å; Y519-Y521 VanDerWaalsContact C-N 3.26Å; Y519-Y521 PolarHBondContact O-N 3.32Å; Y521-F525 HydrophobicContact CD1-CB 4.38Å; Y521-F525 HydrophobicContact CD1-CD2 4.27Å; Y521-F525 AromaticContact CD2-CD2 3.51Å; Y521-F525 HydrophobicContact CD2-CD2 3.51Å; Y521-F525 AromaticContact CD2-CE2 3.82Å; Y521-F525 HydrophobicContact CD2-CE2 3.82Å; Y521-F525 HydrophobicContact CE1-CB 4.02Å; Y521-F525 HydrophobicContact CE1-CD2 4.05Å; Y521-F525 HydrophobicContact CE1-CG 4.35Å; Y521-F525 AromaticContact CE2-CD2 3.24Å; Y521-F525 HydrophobicContact CE2-CD2 3.24Å; Y521-F525 AromaticContact CE2-CE2 3.41Å; Y521-F525 HydrophobicContact CE2-CE2 3.41Å; Y521-F525 VanDerWaalsContact CE2-CE2 3.41Å; Y521-F525 HydrophobicContact CE2-CG 4.17Å; Y521-F525 HydrophobicContact CE2-CZ 4.45Å; Y521-F525 HydrophobicContact CG-CD2 4.02Å; Y521-F525 AromaticContact CZ-CD2 3.53Å; Y521-F525 WeakPolarHBondContact O-CB 3.35Å; Y521-F525 PolarHBondContact O-N 3.27Å
522K65.8Low62.4Low158 Ų158143.1 Ų143.169%0.68768%0.675SS**Hα-helixtrans-66.3-35.6174.4-85.8-177.2173.81780112.6Y519 F520 G526Y519-K522 WeakPolarHBondContact O-CB 3.43Å; Y519-K522 PolarHBondContact O-N 2.82Å; F520-K522 VanDerWaalsContact C-N 3.31Å; F520-K522 PolarHBondContact O-N 3.06Å; K522-G526 WeakPolarHBondContact O-CA 3.43Å; K522-G526 PolarHBondContact O-N 3Å; K522-G526 VanDerWaalsContact O-N 3.07Å
523I70Confident61Low139 Ų139150 Ų15071%0.71371%0.71SS**Hα-helixtrans-75.6-34178.4-14171.6000112.5Y519 F520Y519-I523 PolarHBondContact O-N 3.24Å; F520-I523 HydrophobicContact CD1-CG2 4.09Å; F520-I523 PolarHBondContact O-N 3.48Å
524W65.1Low59.7Low200 Ų200147.7 Ų147.776%0.75871%0.711SS**Hα-helixtrans-90.2-37.4-173.6-160.263.9000113.9F520F520-W524 WeakPolarHBondContact O-CB 3.27Å; F520-W524 PolarHBondContact O-N 3.03Å
525F68.1Low58.3Low100 Ų100151.1 Ų151.144%0.43972%0.719SS.*THydrogen-bonded Turntrans-104.6-28.2176.8-72-74000114.2Y521 K527 R528Y521-F525 HydrophobicContact CD1-CB 4.38Å; Y521-F525 HydrophobicContact CD1-CD2 4.27Å; Y521-F525 AromaticContact CD2-CD2 3.51Å; Y521-F525 HydrophobicContact CD2-CD2 3.51Å; Y521-F525 AromaticContact CD2-CE2 3.82Å; Y521-F525 HydrophobicContact CD2-CE2 3.82Å; Y521-F525 HydrophobicContact CE1-CB 4.02Å; Y521-F525 HydrophobicContact CE1-CD2 4.05Å; Y521-F525 HydrophobicContact CE1-CG 4.35Å; Y521-F525 AromaticContact CE2-CD2 3.24Å; Y521-F525 HydrophobicContact CE2-CD2 3.24Å; Y521-F525 AromaticContact CE2-CE2 3.41Å; Y521-F525 HydrophobicContact CE2-CE2 3.41Å; Y521-F525 VanDerWaalsContact CE2-CE2 3.41Å; Y521-F525 HydrophobicContact CE2-CG 4.17Å; Y521-F525 HydrophobicContact CE2-CZ 4.45Å; Y521-F525 HydrophobicContact CG-CD2 4.02Å; Y521-F525 AromaticContact CZ-CD2 3.53Å; Y521-F525 WeakPolarHBondContact O-CB 3.35Å; Y521-F525 PolarHBondContact O-N 3.27Å; F525-K527 PolarHBondContact O-N 2.64Å; F525-R528 PolarHBondContact O-N 2.87Å
526G62Low57.2Low56 Ų56157.3 Ų157.358%0.57777%0.766SS**THydrogen-bonded Turntrans-69.411.6-164.200000117.9K522K522-G526 WeakPolarHBondContact O-CA 3.43Å; K522-G526 PolarHBondContact O-N 3Å; K522-G526 VanDerWaalsContact O-N 3.07Å
527K58.6Low57.1Low210 Ų210155.2 Ų155.291%0.91376%0.757SS**THydrogen-bonded Turntrans-123.35.1173.5-80.1-170.2172.6-176.90115F525F525-K527 PolarHBondContact O-N 2.64Å
528R57.3Low56.9Low235 Ų235153.4 Ų153.489%0.88775%0.754SS**SBendtrans-107.41.3-171.7-152.6168.4-177.3140.45116.6F525F525-R528 PolarHBondContact O-N 2.87Å
529S53.5Low56.9Low103 Ų103160.2 Ų160.272%0.7278%0.783SS**  trans-130.946.7-168.7-164.80000115.6
530Q54.8Low56.7Low189 Ų189157.8 Ų157.888%0.88378%0.783SS**SBendtrans-119.48.9168.1-81-169.1-28.500114.4
531N51.3Low56.3Low158 Ų158160.4 Ų160.485%0.84580%0.8SS**  trans-128.638.6179-80.5-51.7000113.4
532L51.6Low55.9Low158 Ų158160.6 Ų160.683%0.82781%0.812SS**  trans-11974.4158.6-92.587.6000108.9
533N46Very low55.2Low167 Ų167160.8 Ų160.889%0.89382%0.821SS**  trans-14762170.2-122.9-9.4000108.6
534A48.2Very low54.1Low92 Ų92162.5 Ų162.576%0.7683%0.829SS**  trans-147.694.3-173.200000112.3
535R45.3Very low53.2Low241 Ų241159.3 Ų159.391%0.90984%0.835SS**  trans67123.9165.1-70.5-179168.8159.7-2.5119.5
536C41.2Very low51.8Low203 Ų203164.7 Ų164.7100%1.37287%0.872SS**  trans65.40147.3-59.10000117

Retrieved 536 of 536 residues in 574.4 ms (Link to these results)