A0A087X824_POEFO Loading...

Family with sequence similarity 8 member A1b

AlphaFold DB , UniProt , Accession A0A087X824, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 332 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
1M37.7Very low44.1Very low249 Ų249169.7 Ų169.7100%1.22790%0.902SS**  0121.60-67176.9-176.300106.4
2A40.8Very low44.4Very low84 Ų84167.1 Ų167.169%0.69489%0.888SS**  cis-164.2159.2-2.500000107.1
3D41.2Very low44.7Very low158 Ų158170.2 Ų170.285%0.84589%0.889SS**  trans74.596.2152.3-54.3-19.1000121.1
4R44.3Very low44.7Very low255 Ų255175.1 Ų175.196%0.96289%0.89SS**  trans-146.888.3145.9-116.2-173.8-179.5-176.10.9109.4
5E45.8Very low44.8Very low182 Ų182175.2 Ų175.285%0.8588%0.882SS**  trans-147.8150.5167.8-131.1176.2178.900109.4
6N45Very low44.9Very low153 Ų153172.4 Ų172.482%0.81887%0.87SS**  trans101.277.3179.4-55.7-45.6000117.2
7T46.8Very low45.1Very low151 Ų151171.8 Ų171.893%0.92686%0.861SS**  trans-157.4100.8137.7-27.30000110.3
8A37.3Very low45.6Very low104 Ų104167.2 Ų167.286%0.8685%0.845SS**  trans168.785150.200000110.6
9M48.6Very low46Very low191 Ų191165.9 Ų165.994%0.94183%0.833SS**  trans-147.177.2164.9-165.8-171.2-95.500109.8
10E48.2Very low46.4Very low191 Ų191162.5 Ų162.589%0.89382%0.821SS**  trans-165.559.4159.1-145.6-175.5159.800114.6
11V49.3Very low47.1Very low149 Ų149161.5 Ų161.590%0.90381%0.813SS**  trans-146.981.3163.8-174.90000109.5
12D48.3Very low48.4Very low138 Ų138156.3 Ų156.374%0.73879%0.786SS**SBendtrans-172.650.9143.9-154.216.8000114.4
13K47.4Very low49.3Very low207 Ų207155.7 Ų155.790%0.977%0.774SS**SBendtrans-119.61.8176.9-97.1-174.3179.8177.70115.9
14R45.1Very low50.5Low239 Ų239155.1 Ų155.190%0.90276%0.764SS**SBendtrans-102.4-8.6-176.1-82.1-167.9-174.8-158.23.6116.2
15K46.4Very low51.6Low177 Ų177146 Ų14677%0.7774%0.743SS**SBendtrans-92.3-15.8-178.1-84.1-176.9175178.60116.1
16N46.6Very low52.3Low130 Ų130143.2 Ų143.270%0.69573%0.733SS**SBendtrans-93.6-2.2-177.7-82.6-6.1000115.7V20N16-V20 WeakPolarHBondContact O-CG2 3.44Å
17K47.8Very low53Low163 Ų163141.1 Ų141.171%0.70972%0.722SS**Hα-helixtrans-69.1-42-178.7-119.1-178.7178.8-166.80115.6F19K17-F19 PolarHBondContact O-N 3.01Å
18P54.6Low53.8Low88 Ų88138.8 Ų138.857%0.57170%0.703SS**Hα-helixtrans-74.5-26.7-174.526.4-31000113.3Q22P18-Q22 PolarHBondContact O-N 3.05Å
19F51.9Low54.9Low143 Ų143138 Ų13863%0.62769%0.685SS**Hα-helixtrans-75-37.3-179.4-164.3-101.5000112.2K17 Q22 V23K17-F19 PolarHBondContact O-N 3.01Å; F19-Q22 PolarHBondContact O-N 2.93Å; F19-V23 HydrophobicContact CD1-CG2 4.15Å; F19-V23 HydrophobicContact CE1-CG2 3.95Å; F19-V23 HydrophobicContact CZ-CG2 4.43Å; F19-V23 VanDerWaalsContact O-CG2 3.32Å; F19-V23 WeakPolarHBondContact O-CG2 3.24Å; F19-V23 PolarHBondContact O-N 3.01Å
20V55.7Low55.2Low97 Ų97132.7 Ų132.759%0.58866%0.663SS**Hα-helixtrans-69.6-35.4-179.8176.60000111.8N16 K24N16-V20 WeakPolarHBondContact O-CG2 3.44Å; V20-K24 WeakPolarHBondContact O-CB 3.5Å; V20-K24 PolarHBondContact O-N 2.76Å; V20-K24 VanDerWaalsContact O-N 3.09Å
21E61.4Low55.5Low142 Ų142127.5 Ų127.566%0.66464%0.644SS**Hα-helixtrans-70.7-35.8174.8-75.5-172.3171.200112.5K24 A25E21-K24 PolarHBondContact O-N 3.04Å; E21-A25 WeakPolarHBondContact O-CB 3.36Å; E21-A25 PolarHBondContact O-N 3.01Å
22Q63.1Low55.6Low141 Ų141126.5 Ų126.566%0.65963%0.629SS**Hα-helixtrans-65-42.3174.5-111.7177.717.100112.4P18 F19 K24 L26P18-Q22 PolarHBondContact O-N 3.05Å; F19-Q22 PolarHBondContact O-N 2.93Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-L26 WeakPolarHBondContact O-CB 3.45Å; Q22-L26 PolarHBondContact O-N 2.69Å; Q22-L26 VanDerWaalsContact O-N 3.14Å
23V61.6Low55.6Low71 Ų71129 Ų12943%0.4363%0.628SS.*Hα-helixtrans-67-36.7177.5173.40000111.1F19 L26 L27F19-V23 HydrophobicContact CD1-CG2 4.15Å; F19-V23 HydrophobicContact CE1-CG2 3.95Å; F19-V23 HydrophobicContact CZ-CG2 4.43Å; F19-V23 VanDerWaalsContact O-CG2 3.32Å; F19-V23 WeakPolarHBondContact O-CG2 3.24Å; F19-V23 PolarHBondContact O-N 3.01Å; V23-L26 PolarHBondContact O-N 2.75Å; V23-L27 PolarHBondContact O-N 3.13Å
24K65.6Low55.4Low146 Ų146123.8 Ų123.864%0.63561%0.614SS**Hα-helixtrans-68.9-42.2178.2-161.9176.9-177.5-171.90112.3V20 E21 Q22 L26 L27 D28V20-K24 WeakPolarHBondContact O-CB 3.5Å; V20-K24 PolarHBondContact O-N 2.76Å; V20-K24 VanDerWaalsContact O-N 3.09Å; E21-K24 PolarHBondContact O-N 3.04Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 3.16Å; K24-L27 PolarHBondContact O-N 3.23Å; K24-D28 PolarHBondContact O-N 3.07Å; K24-D28 VanDerWaalsContact O-N 3.09Å
25A66.8Low55.3Low64 Ų64118.6 Ų118.653%0.52961%0.605SS.*Hα-helixtrans-63.6-34.1175.400000112.6E21 D29E21-A25 WeakPolarHBondContact O-CB 3.36Å; E21-A25 PolarHBondContact O-N 3.01Å; A25-D29 PolarHBondContact O-N 2.69Å
26L60.1Low55Low123 Ų123118.7 Ų118.764%0.64461%0.605SS**Hα-helixtrans-76.1-31.7178.5-152.3138.2000112.1Q22 V23 K24 V30Q22-L26 WeakPolarHBondContact O-CB 3.45Å; Q22-L26 PolarHBondContact O-N 2.69Å; Q22-L26 VanDerWaalsContact O-N 3.14Å; V23-L26 PolarHBondContact O-N 2.75Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 3.16Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 2.84Å
27L61Low54.8Low109 Ų109123.4 Ų123.457%0.57161%0.613SS**Hα-helixtrans-67.9-39.4172.1-122.485.6000112.2V23 K24 V30 T31V23-L27 PolarHBondContact O-N 3.13Å; K24-L27 PolarHBondContact O-N 3.23Å; L27-V30 PolarHBondContact O-N 2.7Å; L27-T31 WeakPolarHBondContact O-CB 3.38Å; L27-T31 PolarHBondContact O-N 2.88Å; L27-T31 PolarHBondContact O-OG1 3Å
28D63.6Low54.9Low101 Ų101124.5 Ų124.554%0.5462%0.618SS.*Hα-helixtrans-69.6-35.6-179.2-72.7-22000112K24 T31 H32K24-D28 PolarHBondContact O-N 3.07Å; K24-D28 VanDerWaalsContact O-N 3.09Å; D28-T31 PolarHBondContact O-N 3.23Å; D28-H32 WeakPolarHBondContact O-CB 3.47Å; D28-H32 PolarHBondContact O-N 2.94Å
29D59.1Low54.1Low88 Ų88126.1 Ų126.147%0.47163%0.631SS.*Hα-helixtrans-67.3-39.1174.8-171.464.6000112.5A25 R33A25-D29 PolarHBondContact O-N 2.69Å; D29-R33 PolarHBondContact O-N 3.5Å; D29-R33 VanDerWaalsContact O-N 3.11Å; D29-R33 IonicContact OD2-NE 3.86Å
30V56.1Low54.6Low79 Ų79124.7 Ų124.748%0.47964%0.636SS.*Hα-helixtrans-69-37.7176.8172.80000111.3L26 L27 R33 T34L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 2.84Å; L27-V30 PolarHBondContact O-N 2.7Å; V30-R33 PolarHBondContact O-N 2.84Å; V30-T34 PolarHBondContact O-N 2.93Å; V30-T34 PolarHBondContact O-OG1 3.33Å
31T53.7Low53.7Low83 Ų83128.8 Ų128.851%0.50965%0.649SS.*Hα-helixtrans-68.9-40.2179.1-47.90000110.9L27 D28 R33 T34 D35L27-T31 WeakPolarHBondContact O-CB 3.38Å; L27-T31 PolarHBondContact O-N 2.88Å; L27-T31 PolarHBondContact O-OG1 3Å; D28-T31 PolarHBondContact O-N 3.23Å; T31-R33 PolarHBondContact O-N 3.14Å; T31-T34 PolarHBondContact O-N 3.16Å; T31-D35 PolarHBondContact O-N 3.49Å
32H51.4Low52.9Low127 Ų127127.2 Ų127.259%0.58865%0.651SS**Hα-helixtrans-69.8-29.7177.1-165.2-93.2000113.4D28 T34D28-H32 WeakPolarHBondContact O-CB 3.47Å; D28-H32 PolarHBondContact O-N 2.94Å; H32-T34 VanDerWaalsContact C-N 3.34Å
33R48.3Very low52.2Low190 Ų190129.9 Ų129.972%0.71766%0.66SS**Hα-helixtrans-71-28170.8-79.6-172.8-177.8-171.10.4113.4D29 V30 T31D29-R33 PolarHBondContact O-N 3.5Å; D29-R33 VanDerWaalsContact O-N 3.11Å; D29-R33 IonicContact OD2-NE 3.86Å; V30-R33 PolarHBondContact O-N 2.84Å; T31-R33 PolarHBondContact O-N 3.14Å
34T44.7Very low51.3Low98 Ų98133.3 Ų133.360%0.60168%0.676SS**Hα-helixtrans-79.3-32.2-177.8-50.60000111.5V30 T31 H32V30-T34 PolarHBondContact O-N 2.93Å; V30-T34 PolarHBondContact O-OG1 3.33Å; T31-T34 PolarHBondContact O-N 3.16Å; H32-T34 VanDerWaalsContact C-N 3.34Å
35D41.5Very low50.3Low131 Ų131135 Ų13570%0.70168%0.684SS**Hα-helixtrans-78.2-25.8-179.3-127.8-5.1000113.6T31 R37T31-D35 PolarHBondContact O-N 3.49Å; D35-R37 PolarHBondContact O-N 3.42Å; D35-R37 VanDerWaalsContact O-N 3.13Å
36K40.5Very low49.4Very low178 Ų178136 Ų13677%0.77469%0.687SS**THydrogen-bonded Turntrans-70.1-3174.2-96.3-169.2178.1-176.10114.8
37R42.1Very low49Very low230 Ų230135.1 Ų135.187%0.86869%0.686SS**THydrogen-bonded Turntrans-100.415.3-179.5-147.4-178-168.6-170.54.2114.4D35D35-R37 PolarHBondContact O-N 3.42Å; D35-R37 VanDerWaalsContact O-N 3.13Å
38K50.4Low48.7Very low186 Ų186136.6 Ų136.681%0.80969%0.69SS**  trans-129.388.3173.8-78.2-175.6178.4176.50112.1
39S37.5Very low48.3Very low122 Ų122135.1 Ų135.185%0.85369%0.688SS**  trans-153153.5148.4-134.60000110.5
40P61.8Low48.1Very low112 Ų112134 Ų13473%0.72769%0.686SS**  trans-100.9160.8-139.738-36.8000115.6
41E37.3Very low48.9Very low183 Ų183133 Ų13386%0.85568%0.683SS**  trans136156.6147.6-78.3-168.714800113.9
42P44.6Very low49.9Very low109 Ų109132.8 Ų132.871%0.70868%0.682SS**  cis-124.2158.4-4332.9-16.8000112.9
43K47.9Very low51.3Low197 Ų197130.9 Ų130.986%0.85768%0.679SS**  trans15.1103153.2-62.7174.5-178.6175.80117.6
44N43.8Very low52.8Low143 Ų143126.7 Ų126.777%0.76567%0.667SS**  trans-170-4.4146.2-96.9-13.5000114.6
45K43.8Very low54.4Low182 Ų182129.3 Ų129.379%0.79167%0.667SS**Hα-helixtrans-80.1-14.5-178-73-174.3175.1-177.50115.9S49K45-S49 PolarHBondContact O-N 2.77Å; K45-S49 PolarHBondContact O-OG 2.94Å
46S48.6Very low56.4Low86 Ų86126.3 Ų126.360%0.60166%0.656SS**Hα-helixtrans-75.1-26.2-176.157.50000113.5S49 C50S46-S49 PolarHBondContact O-OG 3.05Å; S46-C50 VanDerWaalsContact O-CB 3.26Å; S46-C50 WeakPolarHBondContact O-CB 3.33Å; S46-C50 PolarHBondContact O-N 3.31Å
47V51.7Low58.7Low104 Ų104124 Ų12463%0.6365%0.647SS**Hα-helixtrans-77.9-37.1-177.7-178.90000111.1S51V47-S51 PolarHBondContact O-N 3.31Å; V47-S51 PolarHBondContact O-OG 2.66Å
48E53.7Low60.7Low140 Ų140120.2 Ų120.265%0.65464%0.637SS**Hα-helixtrans-78.8-33.5-177.6-152.2169.7-148.500112.6S51 T52E48-S51 PolarHBondContact O-OG 2.95Å; E48-T52 PolarHBondContact O-N 3.34Å; E48-T52 VanDerWaalsContact O-N 3.15Å; E48-T52 PolarHBondContact O-OG1 2.94Å
49S55Low62.3Low69 Ų69114.6 Ų114.648%0.48362%0.616SS.*Hα-helixtrans-69.8-36.9170.962.40000112K45 S46 V53K45-S49 PolarHBondContact O-N 2.77Å; K45-S49 PolarHBondContact O-OG 2.94Å; S46-S49 PolarHBondContact O-OG 3.05Å; S49-V53 VanDerWaalsContact O-CG2 3.24Å; S49-V53 WeakPolarHBondContact O-CG2 3.1Å; S49-V53 PolarHBondContact O-N 3.1Å; S49-V53 VanDerWaalsContact O-N 3.11Å
50C55.7Low64.6Low66 Ų66115.8 Ų115.845%0.44661%0.608SS.*Hα-helixtrans-67.5-41.7177.8-161.10000111.2S46 V53 E54S46-C50 VanDerWaalsContact O-CB 3.26Å; S46-C50 WeakPolarHBondContact O-CB 3.33Å; S46-C50 PolarHBondContact O-N 3.31Å; C50-V53 PolarHBondContact O-N 3.44Å; C50-E54 WeakPolarHBondContact O-CB 3.34Å; C50-E54 WeakPolarHBondContact O-CG 3.31Å; C50-E54 PolarHBondContact O-N 2.78Å
51S73.3Confident65.8Low58 Ų58113.1 Ų113.141%0.40660%0.595SS.*Hα-helixtrans-68.5-34.8177.966.10000113.2V47 E48 Y55V47-S51 PolarHBondContact O-N 3.31Å; V47-S51 PolarHBondContact O-OG 2.66Å; E48-S51 PolarHBondContact O-OG 2.95Å; S51-Y55 VanDerWaalsContact O-CB 3.28Å; S51-Y55 WeakPolarHBondContact O-CB 3.42Å; S51-Y55 PolarHBondContact O-N 2.87Å
52T73.7Confident68.2Low78 Ų78112.1 Ų112.148%0.47958%0.584SS.*Hα-helixtrans-70.1-40.9177.3-51.20000111.3E48 Y55 C56E48-T52 PolarHBondContact O-N 3.34Å; E48-T52 VanDerWaalsContact O-N 3.15Å; E48-T52 PolarHBondContact O-OG1 2.94Å; T52-Y55 PolarHBondContact O-N 2.81Å; T52-C56 WeakPolarHBondContact O-CB 3.46Å; T52-C56 PolarHBondContact O-N 3.23Å; T52-C56 PolarHBondContact O-SG 2.9Å; T52-C56 VanDerWaalsContact O-SG 3.34Å
53V81.4Confident70Confident87 Ų87112.5 Ų112.553%0.52758%0.578SS.*Hα-helixtrans-66-44.9175.7173.10000110.7S49 C50 Y55 C56 E57S49-V53 VanDerWaalsContact O-CG2 3.24Å; S49-V53 WeakPolarHBondContact O-CG2 3.1Å; S49-V53 PolarHBondContact O-N 3.1Å; S49-V53 VanDerWaalsContact O-N 3.11Å; C50-V53 PolarHBondContact O-N 3.44Å; V53-Y55 VanDerWaalsContact C-N 3.29Å; V53-Y55 PolarHBondContact O-N 3.49Å; V53-C56 PolarHBondContact O-N 2.69Å; V53-E57 WeakPolarHBondContact O-CG 3.45Å; V53-E57 PolarHBondContact O-N 2.97Å
54E79.7Confident71.4Confident101 Ų101111.3 Ų111.347%0.47257%0.568SS.*Hα-helixtrans-62-35.7174.6-77.6179.1-172.100112.7C50 K58C50-E54 WeakPolarHBondContact O-CB 3.34Å; C50-E54 WeakPolarHBondContact O-CG 3.31Å; C50-E54 PolarHBondContact O-N 2.78Å; E54-K58 WeakPolarHBondContact O-CB 3.25Å; E54-K58 WeakPolarHBondContact O-CG 3.29Å; E54-K58 PolarHBondContact O-N 3.41Å
55Y78.3Confident72.9Confident153 Ų153111 Ų11160%0.656%0.562SS**Hα-helixtrans-66.5-46.1174.2177.7-96.7000111.4S51 T52 V53 E57 K58 L59S51-Y55 VanDerWaalsContact O-CB 3.28Å; S51-Y55 WeakPolarHBondContact O-CB 3.42Å; S51-Y55 PolarHBondContact O-N 2.87Å; T52-Y55 PolarHBondContact O-N 2.81Å; V53-Y55 VanDerWaalsContact C-N 3.29Å; V53-Y55 PolarHBondContact O-N 3.49Å; Y55-E57 PolarHBondContact O-N 2.89Å; Y55-K58 PolarHBondContact O-N 2.94Å; Y55-L59 HydrophobicContact CE1-CD2 4.16Å; Y55-L59 VanDerWaalsContact O-CB 3.28Å; Y55-L59 WeakPolarHBondContact O-CB 3.08Å; Y55-L59 PolarHBondContact O-N 3.47Å
56C84.1Confident74.4Confident69 Ų69109.5 Ų109.547%0.46655%0.552SS.*Hα-helixtrans-62.4-41.1177-73.20000112.1T52 V53 L59 Q60T52-C56 WeakPolarHBondContact O-CB 3.46Å; T52-C56 PolarHBondContact O-N 3.23Å; T52-C56 PolarHBondContact O-SG 2.9Å; T52-C56 VanDerWaalsContact O-SG 3.34Å; V53-C56 PolarHBondContact O-N 2.69Å; C56-L59 PolarHBondContact O-N 3.08Å; C56-Q60 VanDerWaalsContact O-CB 3.27Å; C56-Q60 WeakPolarHBondContact O-CB 3.36Å; C56-Q60 PolarHBondContact O-N 3.31Å
57E87.7Confident75.5Confident128 Ų128112.4 Ų112.460%0.59855%0.551SS**Hα-helixtrans-64.7-43.1175.6-75.3-169.4154.800112V53 Y55 Q60 A61V53-E57 WeakPolarHBondContact O-CG 3.45Å; V53-E57 PolarHBondContact O-N 2.97Å; Y55-E57 PolarHBondContact O-N 2.89Å; E57-Q60 PolarHBondContact O-N 2.9Å; E57-A61 WeakPolarHBondContact O-CB 3.31Å; E57-A61 PolarHBondContact O-N 2.96Å
58K85.5Confident76.3Confident151 Ų151110 Ų11066%0.65754%0.537SS*.Hα-helixtrans-65.7-38.6175.5-78.2178.5-179.9168.80112.3E54 Y55 W62E54-K58 WeakPolarHBondContact O-CB 3.25Å; E54-K58 WeakPolarHBondContact O-CG 3.29Å; E54-K58 PolarHBondContact O-N 3.41Å; Y55-K58 PolarHBondContact O-N 2.94Å; K58-W62 VanDerWaalsContact O-CB 3.32Å; K58-W62 WeakPolarHBondContact O-CB 3.47Å; K58-W62 PolarHBondContact O-N 3.01Å
59L84.3Confident77.1Confident69 Ų69105.2 Ų105.236%0.36153%0.525SS..Hα-helixtrans-67.3-43177-175.166.2000111.1Y55 C56 W62 M63Y55-L59 HydrophobicContact CE1-CD2 4.16Å; Y55-L59 VanDerWaalsContact O-CB 3.28Å; Y55-L59 WeakPolarHBondContact O-CB 3.08Å; Y55-L59 PolarHBondContact O-N 3.47Å; C56-L59 PolarHBondContact O-N 3.08Å; L59-W62 HydrophobicContact CD1-CE3 4.38Å; L59-W62 PolarHBondContact O-N 2.84Å; L59-M63 WeakPolarHBondContact O-CB 3.32Å; L59-M63 WeakPolarHBondContact O-CG 3.42Å; L59-M63 PolarHBondContact O-N 2.97Å
60Q85.1Confident77.5Confident147 Ų147107.6 Ų107.669%0.68752%0.524SS*.Hα-helixtrans-63.9-43.2176.1-177175.9-33.800111.5C56 E57 M63 W64C56-Q60 VanDerWaalsContact O-CB 3.27Å; C56-Q60 WeakPolarHBondContact O-CB 3.36Å; C56-Q60 PolarHBondContact O-N 3.31Å; E57-Q60 PolarHBondContact O-N 2.9Å; Q60-M63 PolarHBondContact O-N 3.4Å; Q60-W64 WeakPolarHBondContact O-CB 3.31Å; Q60-W64 PolarHBondContact O-N 3.29Å
61A85.8Confident77.7Confident56 Ų56107.4 Ų107.446%0.46352%0.521SS..Hα-helixtrans-62.4-42174.300000111.8E57 W64 Q65E57-A61 WeakPolarHBondContact O-CB 3.31Å; E57-A61 PolarHBondContact O-N 2.96Å; A61-W64 PolarHBondContact O-N 3.29Å; A61-Q65 WeakPolarHBondContact O-CG 3.28Å; A61-Q65 PolarHBondContact O-N 2.69Å
62W89.3Confident76.8Confident161 Ų161109.1 Ų109.161%0.6153%0.526SS*.Hα-helixtrans-65.9-43.3176.6-177.982.3000112.5K58 L59 W64 Q65 Y66K58-W62 VanDerWaalsContact O-CB 3.32Å; K58-W62 WeakPolarHBondContact O-CB 3.47Å; K58-W62 PolarHBondContact O-N 3.01Å; L59-W62 HydrophobicContact CD1-CE3 4.38Å; L59-W62 PolarHBondContact O-N 2.84Å; W62-W64 VanDerWaalsContact C-N 3.29Å; W62-W64 PolarHBondContact O-N 2.89Å; W62-Q65 PolarHBondContact O-N 3Å; W62-Y66 WeakPolarHBondContact O-CB 3.26Å; W62-Y66 PolarHBondContact O-N 2.93Å
63M82.5Confident75.7Confident117 Ų117113.9 Ų113.958%0.57654%0.535SS*.Hα-helixtrans-59.9-40.3173.9-80.7179.959.400111.7L59 Q60 Y66 Y67L59-M63 WeakPolarHBondContact O-CB 3.32Å; L59-M63 WeakPolarHBondContact O-CG 3.42Å; L59-M63 PolarHBondContact O-N 2.97Å; Q60-M63 PolarHBondContact O-N 3.4Å; M63-Y66 PolarHBondContact O-N 3.16Å; M63-Y67 VanDerWaalsContact O-CB 3.32Å; M63-Y67 WeakPolarHBondContact O-CB 3.47Å; M63-Y67 PolarHBondContact O-N 3.43Å
64W76.9Confident74.3Confident172 Ų172114 Ų11465%0.65253%0.53SS*.Hα-helixtrans-66.3-41.2177.1-168-106.6000111.8Q60 A61 W62 Y67 T68Q60-W64 WeakPolarHBondContact O-CB 3.31Å; Q60-W64 PolarHBondContact O-N 3.29Å; A61-W64 PolarHBondContact O-N 3.29Å; W62-W64 VanDerWaalsContact C-N 3.29Å; W62-W64 PolarHBondContact O-N 2.89Å; W64-Y67 PolarHBondContact O-N 3.29Å; W64-T68 HydrophobicContact CD2-CG2 4.43Å; W64-T68 HydrophobicContact CZ2-CG2 4.42Å; W64-T68 WeakPolarHBondContact O-CB 3.4Å; W64-T68 WeakPolarHBondContact O-CG2 3.48Å; W64-T68 PolarHBondContact O-N 3.47Å; W64-T68 PolarHBondContact O-OG1 3.5Å
65Q75.4Confident72.8Confident137 Ų137112 Ų11264%0.6453%0.527SS*.Hα-helixtrans-65-38.4174.9-69.7-78.8-29.900111.8A61 W62 T68 G69A61-Q65 WeakPolarHBondContact O-CG 3.28Å; A61-Q65 PolarHBondContact O-N 2.69Å; W62-Q65 PolarHBondContact O-N 3Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.28Å; Q65-T68 PolarHBondContact O-OG1 3Å; Q65-G69 PolarHBondContact O-N 2.82Å
66Y74.1Confident71.3Confident151 Ų151112.7 Ų112.759%0.59253%0.528SS*.Hα-helixtrans-69.3-44.6176.8-176.9-97.9000111.8W62 M63 G69 Y70W62-Y66 WeakPolarHBondContact O-CB 3.26Å; W62-Y66 PolarHBondContact O-N 2.93Å; M63-Y66 PolarHBondContact O-N 3.16Å; Y66-G69 PolarHBondContact O-N 3.41Å; Y66-Y70 VanDerWaalsContact O-CB 3.31Å; Y66-Y70 WeakPolarHBondContact O-CB 3.36Å; Y66-Y70 PolarHBondContact O-N 2.9Å
67Y71.9Confident69.7Low146 Ų146114.4 Ų114.457%0.57353%0.532SS*.Hα-helixtrans-66-46.3177.7-171.9-97.2000111.6M63 W64 G69 Y70 V71M63-Y67 VanDerWaalsContact O-CB 3.32Å; M63-Y67 WeakPolarHBondContact O-CB 3.47Å; M63-Y67 PolarHBondContact O-N 3.43Å; W64-Y67 PolarHBondContact O-N 3.29Å; Y67-G69 VanDerWaalsContact C-N 3.33Å; Y67-G69 PolarHBondContact O-N 2.95Å; Y67-Y70 PolarHBondContact O-N 3.18Å; Y67-V71 HydrophobicContact CD1-CG2 4.13Å; Y67-V71 HydrophobicContact CE1-CG2 3.84Å; Y67-V71 WeakPolarHBondContact O-CB 3.21Å; Y67-V71 VanDerWaalsContact O-CG2 3.24Å; Y67-V71 WeakPolarHBondContact O-CG2 3.43Å; Y67-V71 PolarHBondContact O-N 2.96Å
68T69.5Low67.7Low55 Ų55114.2 Ų114.234%0.33754%0.535SS..Hα-helixtrans-64.9-37.9175.850.80000111.6W64 Q65 N72W64-T68 HydrophobicContact CD2-CG2 4.43Å; W64-T68 HydrophobicContact CZ2-CG2 4.42Å; W64-T68 WeakPolarHBondContact O-CB 3.4Å; W64-T68 WeakPolarHBondContact O-CG2 3.48Å; W64-T68 PolarHBondContact O-N 3.47Å; W64-T68 PolarHBondContact O-OG1 3.5Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.28Å; Q65-T68 PolarHBondContact O-OG1 3Å; T68-N72 WeakPolarHBondContact O-CB 3.43Å; T68-N72 PolarHBondContact O-N 3.08Å
69G69.6Low65.8Low39 Ų39109.7 Ų109.740%0.40253%0.526SS..Hα-helixtrans-63.7-41.3171.800000114.1Q65 Y66 Y67 N72 W73Q65-G69 PolarHBondContact O-N 2.82Å; Y66-G69 PolarHBondContact O-N 3.41Å; Y67-G69 VanDerWaalsContact C-N 3.33Å; Y67-G69 PolarHBondContact O-N 2.95Å; G69-N72 PolarHBondContact O-N 2.93Å; G69-W73 PolarHBondContact O-N 2.85Å
70Y64.7Low63.9Low118 Ų118110.4 Ų110.446%0.46354%0.536SS..Hα-helixtrans-66.5-43.2176.7-178.5-95.7000112.1Y66 Y67 N72 W73 Q74Y66-Y70 VanDerWaalsContact O-CB 3.31Å; Y66-Y70 WeakPolarHBondContact O-CB 3.36Å; Y66-Y70 PolarHBondContact O-N 2.9Å; Y67-Y70 PolarHBondContact O-N 3.18Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 3.44Å; Y70-W73 PolarHBondContact O-N 3.35Å; Y70-Q74 HydrophobicContact CD1-CG 4.47Å; Y70-Q74 HydrophobicContact CE1-CG 4.14Å; Y70-Q74 WeakPolarHBondContact O-CG 3.37Å; Y70-Q74 PolarHBondContact O-N 3.01Å; Y70-Q74 PolarHBondContact OH-NE2 3.24Å
71V60.1Low61.7Low63 Ų63108.1 Ų108.138%0.38253%0.533SS..Hα-helixtrans-67.3-33.8175.4175.60000111.1Y67 S75Y67-V71 HydrophobicContact CD1-CG2 4.13Å; Y67-V71 HydrophobicContact CE1-CG2 3.84Å; Y67-V71 WeakPolarHBondContact O-CB 3.21Å; Y67-V71 VanDerWaalsContact O-CG2 3.24Å; Y67-V71 WeakPolarHBondContact O-CG2 3.43Å; Y67-V71 PolarHBondContact O-N 2.96Å; V71-S75 WeakPolarHBondContact O-CB 3.44Å; V71-S75 PolarHBondContact O-N 3.43Å; V71-S75 PolarHBondContact O-OG 3.1Å
72N53Low59.6Low94 Ų94112.9 Ų112.950%0.50355%0.547SS..Hα-helixtrans-71.9-37.4175.5-155.330.8000111.9T68 G69 Y70 S75 W76T68-N72 WeakPolarHBondContact O-CB 3.43Å; T68-N72 PolarHBondContact O-N 3.08Å; G69-N72 PolarHBondContact O-N 2.93Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 3.44Å; N72-S75 PolarHBondContact O-N 3.49Å; N72-W76 VanDerWaalsContact O-CD1 3.28Å; N72-W76 PolarHBondContact O-N 3.38Å
73W51.1Low57.1Low177 Ų177110.3 Ų110.367%0.6755%0.55SS*.Hα-helixtrans-63.8-41.4172.2177-96000112.5G69 Y70 S75 W76 L77G69-W73 PolarHBondContact O-N 2.85Å; Y70-W73 PolarHBondContact O-N 3.35Å; W73-S75 VanDerWaalsContact C-N 3.28Å; W73-S75 PolarHBondContact O-N 2.77Å; W73-W76 PolarHBondContact O-N 3.1Å; W73-L77 HydrophobicContact CD2-CD1 4.5Å; W73-L77 HydrophobicContact CZ2-CD1 4.08Å; W73-L77 PolarHBondContact O-N 2.55Å; W73-L77 VanDerWaalsContact O-N 3.07Å
74Q52.3Low54.8Low91 Ų91110.9 Ų110.943%0.42556%0.559SS.*Hα-helixtrans-60.2-37.9171.1-73-88.4000111.8Y70 L78Y70-Q74 HydrophobicContact CD1-CG 4.47Å; Y70-Q74 HydrophobicContact CE1-CG 4.14Å; Y70-Q74 WeakPolarHBondContact O-CG 3.37Å; Y70-Q74 PolarHBondContact O-N 3.01Å; Y70-Q74 PolarHBondContact OH-NE2 3.24Å; Q74-L78 PolarHBondContact O-N 3.44Å
75S48.1Very low53.1Low58 Ų58108.3 Ų108.341%0.40657%0.565SS.*Hα-helixtrans-73.7-33.9178-59.20000113V71 N72 W73 L78 A79V71-S75 WeakPolarHBondContact O-CB 3.44Å; V71-S75 PolarHBondContact O-N 3.43Å; V71-S75 PolarHBondContact O-OG 3.1Å; N72-S75 PolarHBondContact O-N 3.49Å; W73-S75 VanDerWaalsContact C-N 3.28Å; W73-S75 PolarHBondContact O-N 2.77Å; S75-L78 PolarHBondContact O-N 2.76Å; S75-A79 PolarHBondContact O-N 2.79Å
76W46.8Very low51.2Low167 Ų167107.5 Ų107.563%0.63357%0.571SS**Hα-helixtrans-68.8-35.8173.8-90.266.6000112.4N72 W73 L78 A79 S80N72-W76 VanDerWaalsContact O-CD1 3.28Å; N72-W76 PolarHBondContact O-N 3.38Å; W73-W76 PolarHBondContact O-N 3.1Å; W76-L78 PolarHBondContact O-N 3Å; W76-A79 PolarHBondContact O-N 3.36Å; W76-S80 PolarHBondContact O-N 3.45Å; W76-S80 PolarHBondContact O-OG 3.12Å; W76-S80 VanDerWaalsContact O-OG 3.13Å
77L49.6Very low49.3Very low105 Ų105105.6 Ų105.655%0.5558%0.579SS.*Hα-helixtrans-61.4-33.3171.7-113.699.6000112.5W73W73-L77 HydrophobicContact CD2-CD1 4.5Å; W73-L77 HydrophobicContact CZ2-CD1 4.08Å; W73-L77 PolarHBondContact O-N 2.55Å; W73-L77 VanDerWaalsContact O-N 3.07Å
78L46.7Very low47.5Very low124 Ų124106.6 Ų106.665%0.64959%0.593SS**Hα-helixtrans-75.9-38.6173.7-70.1169.4000111.8Q74 S75 W76 T81Q74-L78 PolarHBondContact O-N 3.44Å; S75-L78 PolarHBondContact O-N 2.76Å; W76-L78 PolarHBondContact O-N 3Å; L78-T81 PolarHBondContact O-N 3.11Å; L78-T81 PolarHBondContact O-OG1 3.31Å
79A45.2Very low45.9Very low57 Ų57113.1 Ų113.147%0.47162%0.62SS.*Hα-helixtrans-68.4-34178.700000113.2S75 W76 T81 M82S75-A79 PolarHBondContact O-N 2.79Å; W76-A79 PolarHBondContact O-N 3.36Å; A79-T81 PolarHBondContact O-N 2.93Å; A79-M82 PolarHBondContact O-N 3.31Å; A79-M82 VanDerWaalsContact O-N 3.14Å
80S44.2Very low44.2Very low83 Ų83116.7 Ų116.758%0.5864%0.636SS**THydrogen-bonded Turntrans-73.6-9.6176.8-57.60000114.2W76 M82W76-S80 PolarHBondContact O-N 3.45Å; W76-S80 PolarHBondContact O-OG 3.12Å; W76-S80 VanDerWaalsContact O-OG 3.13Å; S80-M82 VanDerWaalsContact C-N 3.33Å
81T38.9Very low43Very low100 Ų100116.5 Ų116.561%0.61365%0.649SS**THydrogen-bonded Turntrans-87.6-2.6169.963.70000113.4L78 A79L78-T81 PolarHBondContact O-N 3.11Å; L78-T81 PolarHBondContact O-OG1 3.31Å; A79-T81 PolarHBondContact O-N 2.93Å
82M41.4Very low42Very low156 Ų156119.7 Ų119.777%0.76867%0.674SS**SBendtrans-122.645.1-177-71.7-71.913000112.6A79 S80A79-M82 PolarHBondContact O-N 3.31Å; A79-M82 VanDerWaalsContact O-N 3.14Å; S80-M82 VanDerWaalsContact C-N 3.33Å
83T36.9Very low40.9Very low107 Ų107119 Ų11966%0.65669%0.689SS**  trans-137.580.7164.647.10000111.4
84V34.2Very low40.3Very low129 Ų129117.3 Ų117.378%0.78270%0.699SS**  trans-152.9109.6138-172.80000108.8P86V84-P86 HydrophobicContact CG1-CG 4.35Å
85P40.7Very low39.3Very low118 Ų118118.6 Ų118.677%0.76672%0.718SS**  trans-104.9121.8154.330.7-20.1000109.6
86P36.5Very low38.9Very low119 Ų119122.4 Ų122.477%0.77374%0.739SS**  trans-81.9118.9157.4-7.826.4000108.3V84V84-P86 HydrophobicContact CG1-CG 4.35Å
87C33.3Very low38.1Very low111 Ų111118.9 Ų118.975%0.7575%0.745SS**  trans-38.4146.9167.5-97.40000114.6Q89C87-Q89 PolarHBondContact O-N 3.44Å
88L34.5Very low37.2Very low167 Ų167121.1 Ų121.187%0.87476%0.757SS**  trans-7119.4142.9-70.8153.8000114.9
89Q35.2Very low36.5Very low192 Ų192121.8 Ų121.890%0.89777%0.766SS**PPolyproline II helixtrans-99130.2159.5-78.7-168.9-50.800110.2C87C87-Q89 PolarHBondContact O-N 3.44Å
90P35.2Very low35.9Very low114 Ų114128.1 Ų128.174%0.7478%0.783SS**PPolyproline II helixtrans-80.7161.3156.513.92.1000110.9
91P40Very low35.5Very low115 Ų115129.8 Ų129.875%0.74779%0.786SS**SBendtrans-79.7161.2-176.833.9-32.5000111.6
92S38.2Very low35.3Very low130 Ų130130.8 Ų130.891%0.90979%0.794SS**  trans79.212216848.20000119.3
93G30.3Very low35.3Very low79 Ų79131.7 Ų131.781%0.81480%0.796SS**  trans145.4107.5163.300000114.3
94T38.8Very low35.3Very low142 Ų142133.7 Ų133.787%0.87180%0.803SS**  trans-58.8135.1176.6-430000113.3
95S30.4Very low35.2Very low117 Ų117139.3 Ų139.382%0.81881%0.81SS**  trans-174.2141.6137.8-83.90000113.7
96T39.1Very low35Very low138 Ų138142.4 Ų142.485%0.84782%0.815SS**  trans-59.1139.5175.941.20000115.3
97A30.4Very low34.8Very low94 Ų94144.4 Ų144.478%0.77782%0.819SS**  trans177.7134.813500000114.1
98L30.1Very low34.7Very low151 Ų151143.5 Ų143.579%0.79182%0.819SS**  trans62.893.1154.2-64.1170.3000119.3F100L98-F100 PolarHBondContact O-N 2.88Å
99V33.1Very low34.4Very low139 Ų139140.6 Ų140.684%0.84281%0.813SS**  trans-74.7107.4159.6178.50000108.5
100F33Very low34.4Very low190 Ų190141.7 Ų141.783%0.83382%0.815SS**  trans-83.9111.2160.8-96-91.8000108.1L98L98-F100 PolarHBondContact O-N 2.88Å
101D35.5Very low34.1Very low117 Ų117139.9 Ų139.963%0.62682%0.818SS**  trans-97.2114.9177.2-162.3-13.7000110.1Q103D101-Q103 VanDerWaalsContact C-N 3.3Å; D101-Q103 PolarHBondContact O-N 2.97Å
102P35.3Very low33.6Very low122 Ų122142.7 Ų142.779%0.79283%0.825SS**THydrogen-bonded Turntrans-81.37-174.7-10.728000115.4
103Q40.3Very low33.4Very low175 Ų175142.5 Ų142.582%0.81882%0.821SS**THydrogen-bonded Turntrans-88.6-0-167.2-82.9-164.5-10.700117.8D101D101-Q103 VanDerWaalsContact C-N 3.3Å; D101-Q103 PolarHBondContact O-N 2.97Å
104N36.7Very low33.5Very low149 Ų149147 Ų14780%0.79783%0.825SS**  trans-104.913.8-168.5-15642.2000117.6Q106N104-Q106 PolarHBondContact O-N 3.2Å
105W32.4Very low33.3Very low247 Ų247148 Ų14894%0.93683%0.825SS**SBendtrans-94.419.3-174.3-139.6-46000115.9
106Q36.1Very low33.5Very low183 Ų183148.2 Ų148.286%0.85582%0.823SS**SBendtrans-116.9-4.6-177.9-65.2-174.830.200115.7N104N104-Q106 PolarHBondContact O-N 3.2Å
107N32.7Very low33.2Very low160 Ų160147.1 Ų147.186%0.85682%0.821SS**  trans-122.749.2-178.7-87-7.3000113.8
108A31Very low33.6Very low92 Ų92148.1 Ų148.176%0.7682%0.82SS**  trans-118.387.4167.600000110.4
109S28.7Very low34Very low107 Ų107147.1 Ų147.175%0.74882%0.822SS**SBendtrans-151.6113.2157-79.70000109.6
110F34.9Very low33.8Very low214 Ų214146.5 Ų146.594%0.93982%0.819SS**SBendtrans69.6105.8169.1-63.2-82000119.1
111G28.7Very low33.9Very low77 Ų77143.5 Ų143.579%0.79482%0.816SS**  trans164.9116.2159.900000112.9
112L30.6Very low33.7Very low173 Ų173146.2 Ų146.291%0.90682%0.824SS**  trans-59.4148.1174.7-84.9124.1000112.5
113P33.4Very low33.5Very low126 Ų126145.6 Ų145.682%0.81882%0.823SS**  trans-84119.8-178.931.6-30.1000111.8
114L33.1Very low33.8Very low173 Ų173143 Ų14391%0.90682%0.822SS**  trans-107.5133.5161.2-80.4165.5000109.3
115L33.5Very low33.4Very low164 Ų164141.3 Ų141.386%0.85982%0.821SS**PPolyproline II helixtrans-59.2150.7-174.6-135.882.7000113.2
116P36.2Very low33.3Very low121 Ų121135 Ų13579%0.78682%0.815SS**PPolyproline II helixtrans-89.1134.9172.33.515.9000112.5
117S31.7Very low33.1Very low115 Ų115137.4 Ų137.480%0.80482%0.816SS**PPolyproline II helixtrans-101.6152.3166.9-67.70000111.2
118P39.8Very low32.9Very low115 Ų115134.6 Ų134.675%0.74782%0.815SS**PPolyproline II helixtrans-87.2168.1-168.935.3-35000114.2
119P38.5Very low32.8Very low130 Ų130133.6 Ų133.684%0.84481%0.813SS**PPolyproline II helixtrans-84.5145-174.433.9-32.8000112.7
120T28.8Very low32.8Very low127 Ų127137.9 Ų137.978%0.77982%0.822SS**  trans-108.1128.4174.4-45.40000110.8
121V35.3Very low32.5Very low126 Ų126132.5 Ų132.576%0.76482%0.816SS**  trans-70137.8173.1171.60000110.4
122H30.4Very low32.5Very low174 Ų174133.8 Ų133.881%0.80682%0.82SS**  trans-159.2140.4145-82.8-59.9000113.2
123S31.1Very low32.5Very low110 Ų110132.8 Ų132.877%0.76982%0.821SS**  trans-140.9171.1154.8-740000105.4
124P46.1Very low32.3Very low121 Ų121130.3 Ų130.379%0.78682%0.817SS**  cis-140.8176.11.838.4-18000116.8
125S28.7Very low32.1Very low113 Ų113126.8 Ų126.879%0.7981%0.814SS**  trans77.7142.2138.4-159.10000124.9
126S31.2Very low32.5Very low113 Ų113124.9 Ų124.979%0.7981%0.811SS**  trans106.1138.9156.775.90000116
127R31.5Very low32.2Very low235 Ų235123.7 Ų123.789%0.88781%0.811SS**  cis-176.8140.5-10.5174.5-179.8-171170.52.9107.1
128A27.5Very low32.3Very low101 Ų101123.4 Ų123.484%0.83582%0.816SS**  trans52147.1155.300000120.3
129G28.4Very low32.1Very low70 Ų70122.4 Ų122.472%0.72282%0.817SS**  cis173.3-177.9600000109.9
130Q30.4Very low31.8Very low198 Ų198124.9 Ų124.993%0.92582%0.818SS**  trans100.197.5166.3-71.2173.3-7.900120.9
131A27.9Very low31.9Very low100 Ų100127.2 Ų127.283%0.82682%0.82SS**  19133.9129.600000122.2
132A28.6Very low31.9Very low105 Ų105129.6 Ų129.687%0.86882%0.822SS**  175.7159.6100.800000113.3
133V31.1Very low32.1Very low152 Ų152129.6 Ų129.692%0.92182%0.823SS**  trans-74148.8-168.3172.30000114.5
134G27.9Very low32.2Very low73 Ų73133 Ų13375%0.75383%0.827SS**  trans156.9105.115600000115.7
135A29.2Very low31.7Very low100 Ų100134.6 Ų134.683%0.82682%0.823SS**  trans-91.5175.9164.400000110.1
136P42.2Very low32Very low123 Ų123137.1 Ų137.180%0.79982%0.823SS**  cis-128.1158.6-8.437.5-21000113.1
137A29.5Very low32.2Very low96 Ų96140.4 Ų140.479%0.79383%0.826SS**  trans-14486.6161.400000110A139A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.44Å
138A34.7Very low32.5Very low110 Ų110140 Ų14091%0.90982%0.824SS**  trans-63.991.4164.100000109.2
139A34.8Very low32.9Very low93 Ų93141.9 Ų141.977%0.76982%0.82SS**  trans-155.412.9171.500000115A137A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.44Å
140Q31.8Very low33.1Very low183 Ų183147.5 Ų147.586%0.85583%0.827SS**SBendtrans-135.514.9-174.6-134.1175.1-8.700116.1
141Q32.5Very low33.4Very low176 Ų176141.3 Ų141.382%0.82282%0.817SS**SBendtrans-98.90.2176.1-99.9177.4-1600115.2
142Q34.7Very low33.8Very low175 Ų175143.3 Ų143.382%0.81881%0.813SS**SBendtrans-89.3-3.9179.7-97.4176.9-17.600115.6
143Q34.1Very low34.3Very low174 Ų174143 Ų14381%0.81381%0.811SS**SBendtrans-102.5-5.6178.4-95.2176.1-13.200115.5
144Q33.5Very low34.9Very low183 Ų183143 Ų14386%0.85580%0.801SS**SBendtrans-106.2-1.8177.9-117.3171.319.800115
145Q35.5Very low36.1Very low153 Ų153149.4 Ų149.472%0.71580%0.802SS**SBendtrans-112.7-5.4179.6-144.6147.5-0.700114.1
146Q34.4Very low37.6Very low166 Ų166151.9 Ų151.978%0.77680%0.797SS**SBendtrans-93.60.3174.7-114.4170.15.800114.6
147Q35.2Very low38.9Very low182 Ų182147.3 Ų147.385%0.8577%0.772SS**SBendtrans-100.11.8172.5-98.2176.9-2.100114.1
148R38.5Very low41.4Very low228 Ų228148.4 Ų148.486%0.8676%0.755SS**SBendtrans-104.9-6.3-178.8-128.6-178.2-158.3167.26.3115.8
149D35.2Very low43.8Very low140 Ų140148.2 Ų148.275%0.74974%0.736SS**SBendtrans-129.96.4-173.7-85.8-47.6000116.2
150H33.3Very low46.2Very low188 Ų188145 Ų14587%0.8770%0.704SS**SBendtrans-120.189.8175.6-99.1-127.9000111.6
151G36.8Very low48.8Very low68 Ų68137.9 Ų137.970%0.70167%0.674SS**  trans151.31.4168.400000116.6A153G151-A153 PolarHBondContact O-N 2.78Å
152N35.7Very low51.3Low141 Ų141130 Ų13075%0.75464%0.637SS**  trans-77.531.8-179.1-140.84.6000113.9Q154N152-Q154 PolarHBondContact O-N 2.84Å
153A40.7Very low53.7Low99 Ų99121.6 Ų121.682%0.81860%0.598SS**  trans-78.262.3151.800000107.3G151 R155G151-A153 PolarHBondContact O-N 2.78Å; A153-R155 PolarHBondContact O-N 3.24Å
154Q43.5Very low56.1Low152 Ų152115.6 Ų115.671%0.7158%0.576SS**  trans-48.7114.3-178-172141.7-82.900108.5N152 Q156N152-Q154 PolarHBondContact O-N 2.84Å; Q154-Q156 VanDerWaalsContact C-N 3.33Å; Q154-Q156 WeakPolarHBondContact O-CA 3.1Å; Q154-Q156 PolarHBondContact O-N 2.94Å
155R52.3Low58.3Low208 Ų208108.9 Ų108.979%0.78555%0.548SS*.  trans-36.7100.2166.9-74.1177.5171175.1-2.8107.8A153 G157 V276A153-R155 PolarHBondContact O-N 3.24Å; R155-G157 PolarHBondContact O-N 2.88Å; R155-V276 HydrophobicContact CB-CG1 3.9Å; R155-V276 HydrophobicContact CB-CG2 4.37Å; R155-V276 HydrophobicContact CG-CG1 4.23Å
156Q60.5Low60.5Low152 Ų152107.5 Ų107.571%0.7155%0.545SS*.  trans-77.169.7-171.6-144.5-179.159.600107.6Q154Q154-Q156 VanDerWaalsContact C-N 3.33Å; Q154-Q156 WeakPolarHBondContact O-CA 3.1Å; Q154-Q156 PolarHBondContact O-N 2.94Å
157G70.3Confident62.9Low26 Ų26102.8 Ų102.827%0.26852%0.522SS..  trans-71.7133.7178.400000109R155 V275R155-G157 PolarHBondContact O-N 2.88Å; G157-V275 VanDerWaalsContact CA-O 3.24Å; G157-V275 WeakPolarHBondContact CA-O 3.43Å
158R81.8Confident65.3Low120 Ų12095.1 Ų95.145%0.45349%0.486SS..EExtended strand (participates in β ladder)trans-109.2134170.8-67.4-178.6-170.6161.83.2109Y160 V275 A278R158-Y160 HydrophobicContact CB-CD2 4.16Å; R158-Y160 HydrophobicContact CB-CE2 3.53Å; R158-Y160 WeakPolarHBondContact CD-OH 3.49Å; R158-Y160 WeakPolarHBondContact O-CD2 3.43Å; R158-Y160 PolarHBondContact O-N 2.84Å; R158-V275 PolarHBondContact N-O 3.18Å; R158-V275 PolarHBondContact O-N 2.81Å; R158-A278 HydrophobicContact CB-CB 3.61Å; R158-A278 HydrophobicContact CG-CB 3.78Å
159E85.6Confident67.5Low106 Ų10686.5 Ų86.550%0.49546%0.457SS..EExtended strand (participates in β ladder)trans-73.4127.3171.3-67.4-175.7-168.600109.7V273 L274E159-V273 WeakPolarHBondContact CA-O 3.46Å; E159-L274 HydrophobicContact CG-CD1 4.03Å
160Y84.9Confident69.8Low25 Ų2584.9 Ų84.910%0.09845%0.446CS..EExtended strand (participates in β ladder)trans-127.9149.6173.4-69.3-75.5000110.9R158 V260 R272 V273 V275 A278 V326R158-Y160 HydrophobicContact CB-CD2 4.16Å; R158-Y160 HydrophobicContact CB-CE2 3.53Å; R158-Y160 WeakPolarHBondContact CD-OH 3.49Å; R158-Y160 WeakPolarHBondContact O-CD2 3.43Å; R158-Y160 PolarHBondContact O-N 2.84Å; Y160-V260 HydrophobicContact CE2-CG2 4.34Å; Y160-R272 CarbonylContact O-C 3.59Å; Y160-R272 VanDerWaalsContact O-CA 3.32Å; Y160-R272 WeakPolarHBondContact O-CA 3.03Å; Y160-V273 PolarHBondContact N-O 3.4Å; Y160-V273 PolarHBondContact O-N 3.47Å; Y160-V275 HydrophobicContact CD2-CB 3.94Å; Y160-V275 HydrophobicContact CD2-CG2 3.83Å; Y160-V275 HydrophobicContact CE2-CB 4.28Å; Y160-A278 HydrophobicContact CE2-CB 3.62Å; Y160-V326 VanDerWaalsContact CB-CG1 3.42Å; Y160-V326 HydrophobicContact CD1-CB 3.75Å; Y160-V326 HydrophobicContact CD1-CG1 4.13Å; Y160-V326 HydrophobicContact CD1-CG2 3.79Å; Y160-V326 HydrophobicContact CD2-CB 4.34Å; Y160-V326 HydrophobicContact CD2-CG1 3.81Å; Y160-V326 HydrophobicContact CE1-CB 4.48Å; Y160-V326 HydrophobicContact CE1-CG2 4.02Å; Y160-V326 HydrophobicContact CG-CB 3.67Å; Y160-V326 HydrophobicContact CG-CG1 3.53Å; Y160-V326 HydrophobicContact CG-CG2 4.05Å
161S86.1Confident72.4Confident33 Ų3376 Ų7623%0.23140%0.404CS..EExtended strand (participates in β ladder)trans-82.7129.1167.8-177.20000109.9N271 K327S161-N271 VanDerWaalsContact CA-O 3.26Å; S161-N271 WeakPolarHBondContact CA-O 3.18Å; S161-N271 PolarHBondContact OG-O 2.69Å; S161-K327 PolarHBondContact O-N 3.11Å; S161-K327 VanDerWaalsContact O-N 3.08Å
162I85.8Confident74.7Confident10 Ų1074.6 Ų74.65%0.05138%0.38CS..PPolyproline II helixtrans-73.8127.4175.2-51.3170.6000108.3L267 N271 V273 H312 N313I162-L267 HydrophobicContact CD1-CD1 4.47Å; I162-N271 PolarHBondContact N-O 3.18Å; I162-N271 VanDerWaalsContact N-O 3.11Å; I162-V273 HydrophobicContact CD1-CB 4.29Å; I162-V273 HydrophobicContact CD1-CG1 3.32Å; I162-V273 HydrophobicContact CD1-CG2 4.03Å; I162-V273 HydrophobicContact CG1-CB 4.25Å; I162-V273 HydrophobicContact CG1-CG1 3.81Å; I162-V273 HydrophobicContact CG1-CG2 3.5Å; I162-H312 WeakPolarHBondContact CD1-O 3.5Å; I162-N313 HydrophobicContact CG2-CB 3.88Å
163P85.1Confident77Confident0 Ų071.5 Ų71.50%036%0.362CS..PPolyproline II helixtrans-69.5147.5172.829.6-34.1000111.4Q167 R168 L257 V325 K327P163-Q167 HydrophobicContact CB-CB 4.27Å; P163-R168 HydrophobicContact CB-CG 4.43Å; P163-R168 HydrophobicContact CG-CG 4.11Å; P163-L257 HydrophobicContact CB-CD1 4.35Å; P163-L257 HydrophobicContact CB-CD2 3.54Å; P163-L257 HydrophobicContact CG-CD2 4.03Å; P163-V325 WeakPolarHBondContact CD-O 3.44Å; P163-V325 HydrophobicContact CG-CB 4.4Å; P163-V325 HydrophobicContact CG-CG1 4.03Å; P163-K327 HydrophobicContact CB-CG 4.16Å
164S83.3Confident79.3Confident48 Ų4868.7 Ų68.734%0.33634%0.335SS..PPolyproline II helixtrans-67.3155.9176.261.90000110.8L166 Q167 R168S164-L166 PolarHBondContact O-N 3.06Å; S164-Q167 WeakPolarHBondContact O-CB 3.32Å; S164-Q167 PolarHBondContact O-N 3.31Å; S164-Q167 VanDerWaalsContact OG-CG 3.31Å; S164-Q167 WeakPolarHBondContact OG-CG 3.24Å; S164-Q167 PolarHBondContact OG-N 3.43Å; S164-R168 PolarHBondContact O-N 2.86Å
165P80.1Confident81.4Confident42 Ų4261.7 Ų61.727%0.27330%0.302SS..Hα-helixtrans-48.7-45.2174-34.439.9000113.8Q167 R168 L169 F309P165-Q167 VanDerWaalsContact C-N 3.35Å; P165-Q167 PolarHBondContact O-N 3.11Å; P165-R168 WeakPolarHBondContact O-CB 3.43Å; P165-R168 PolarHBondContact O-N 3.28Å; P165-L169 PolarHBondContact O-N 3.02Å; P165-F309 HydrophobicContact CB-CD2 4.43Å; P165-F309 HydrophobicContact CB-CE1 4.4Å; P165-F309 HydrophobicContact CB-CE2 3.48Å; P165-F309 VanDerWaalsContact CB-CE2 3.48Å; P165-F309 HydrophobicContact CB-CZ 3.46Å; P165-F309 VanDerWaalsContact CB-CZ 3.46Å; P165-F309 HydrophobicContact CG-CD2 4.25Å; P165-F309 HydrophobicContact CG-CE1 4.32Å; P165-F309 HydrophobicContact CG-CE2 3.72Å; P165-F309 HydrophobicContact CG-CZ 3.77Å
166L81.3Confident83Confident124 Ų12457.6 Ų57.665%0.64929%0.29SS*.Hα-helixtrans-63.7-37.8179.5-65.1176.7000112.4S164 R168 L169 M170S164-L166 PolarHBondContact O-N 3.06Å; L166-R168 VanDerWaalsContact C-N 3.29Å; L166-R168 PolarHBondContact O-N 3.38Å; L166-L169 PolarHBondContact O-N 3.01Å; L166-M170 WeakPolarHBondContact O-CB 3.12Å; L166-M170 VanDerWaalsContact O-CG 3.24Å; L166-M170 WeakPolarHBondContact O-CG 3.49Å; L166-M170 PolarHBondContact O-N 3.16Å
167Q85.2Confident84.3Confident66 Ų6655.3 Ų55.331%0.30828%0.278SS..Hα-helixtrans-64.8-36.3176.4-75.1176.3-23.100111.9P163 S164 P165 A171 I255P163-Q167 HydrophobicContact CB-CB 4.27Å; S164-Q167 WeakPolarHBondContact O-CB 3.32Å; S164-Q167 PolarHBondContact O-N 3.31Å; S164-Q167 VanDerWaalsContact OG-CG 3.31Å; S164-Q167 WeakPolarHBondContact OG-CG 3.24Å; S164-Q167 PolarHBondContact OG-N 3.43Å; P165-Q167 VanDerWaalsContact C-N 3.35Å; P165-Q167 PolarHBondContact O-N 3.11Å; Q167-A171 WeakPolarHBondContact O-CB 3.22Å; Q167-A171 PolarHBondContact O-N 2.69Å; Q167-A171 VanDerWaalsContact O-N 3.12Å; Q167-I255 HydrophobicContact CB-CG2 4.41Å
168R86.5Confident85.2Confident21 Ų2156.4 Ų56.48%0.07928%0.277CS..Hα-helixtrans-69.7-43175-65.5-174.9179.516710.9111.6P163 S164 P165 L166 A171 E172 L257 N313P163-R168 HydrophobicContact CB-CG 4.43Å; P163-R168 HydrophobicContact CG-CG 4.11Å; S164-R168 PolarHBondContact O-N 2.86Å; P165-R168 WeakPolarHBondContact O-CB 3.43Å; P165-R168 PolarHBondContact O-N 3.28Å; L166-R168 VanDerWaalsContact C-N 3.29Å; L166-R168 PolarHBondContact O-N 3.38Å; R168-A171 PolarHBondContact O-N 3.27Å; R168-E172 PolarHBondContact O-N 3Å; R168-L257 HydrophobicContact CG-CD1 4.38Å; R168-N313 PolarHBondContact NH1-O 3.09Å; R168-N313 PolarHBondContact NH2-O 3.36Å
169L82.9Confident85.4Confident48 Ų4852.6 Ų52.625%0.25127%0.266SS..Hα-helixtrans-59.6-50.1175.9-179.163.2000110.9P165 L166 A171 E172 M173 L307P165-L169 PolarHBondContact O-N 3.02Å; L166-L169 PolarHBondContact O-N 3.01Å; L169-A171 PolarHBondContact O-N 3.26Å; L169-E172 PolarHBondContact O-N 3.48Å; L169-E172 VanDerWaalsContact O-N 3.16Å; L169-M173 HydrophobicContact CD1-CG 4.42Å; L169-M173 HydrophobicContact CG-CG 4.39Å; L169-M173 WeakPolarHBondContact O-CG 3.45Å; L169-M173 PolarHBondContact O-N 3.48Å; L169-L307 HydrophobicContact CB-CD2 4.38Å
170M84.4Confident85.3Confident106 Ų10652.7 Ų52.752%0.52226%0.264SS..Hα-helixtrans-58.1-38.6178-72.6-60.3-61.300111.7L166 E172 M173 V174 I255L166-M170 WeakPolarHBondContact O-CB 3.12Å; L166-M170 VanDerWaalsContact O-CG 3.24Å; L166-M170 WeakPolarHBondContact O-CG 3.49Å; L166-M170 PolarHBondContact O-N 3.16Å; M170-E172 VanDerWaalsContact C-N 3.34Å; M170-M173 PolarHBondContact O-N 3.24Å; M170-V174 VanDerWaalsContact O-CG2 3.29Å; M170-V174 WeakPolarHBondContact O-CG2 3.46Å; M170-V174 PolarHBondContact O-N 3.06Å; M170-I255 HydrophobicContact CB-CD1 3.42Å; M170-I255 VanDerWaalsContact CB-CD1 3.42Å
171A88.8Confident85.5Confident0 Ų057.7 Ų57.70%029%0.287CS..Hα-helixtrans-66.7-42.3-179.600000110.7Q167 R168 L169 V174 D175 K252 I255 L257Q167-A171 WeakPolarHBondContact O-CB 3.22Å; Q167-A171 PolarHBondContact O-N 2.69Å; Q167-A171 VanDerWaalsContact O-N 3.12Å; R168-A171 PolarHBondContact O-N 3.27Å; L169-A171 PolarHBondContact O-N 3.26Å; A171-V174 PolarHBondContact O-N 3.23Å; A171-D175 PolarHBondContact O-N 3.12Å; A171-K252 HydrophobicContact CB-CB 4.47Å; A171-K252 HydrophobicContact CB-CG 3.83Å; A171-I255 HydrophobicContact CB-CB 4.24Å; A171-I255 HydrophobicContact CB-CD1 3.82Å; A171-I255 HydrophobicContact CB-CG1 4.2Å; A171-L257 HydrophobicContact CB-CD1 3.99Å
172E85Confident85.5Confident39 Ų3960 Ų6018%0.18230%0.296CS..Hα-helixtrans-66.8-38.1176.2-15967.2-15600111.9R168 L169 M170 D175 F176 K293R168-E172 PolarHBondContact O-N 3Å; L169-E172 PolarHBondContact O-N 3.48Å; L169-E172 VanDerWaalsContact O-N 3.16Å; M170-E172 VanDerWaalsContact C-N 3.34Å; E172-D175 PolarHBondContact O-N 3.18Å; E172-F176 WeakPolarHBondContact O-CB 3.18Å; E172-F176 PolarHBondContact O-N 3.06Å; E172-K293 WeakPolarHBondContact OE1-CE 3.46Å; E172-K293 IonicContact OE1-NZ 2.75Å; E172-K293 PolarHBondContact OE1-NZ 2.82Å; E172-K293 WeakPolarHBondContact OE2-CE 3.43Å; E172-K293 IonicContact OE2-NZ 2.99Å; E172-K293 PolarHBondContact OE2-NZ 2.85Å
173M83.4Confident85.4Confident76 Ų7664.1 Ų64.137%0.37431%0.313SS..Hα-helixtrans-62.2-42.8173.7-71.8-58.2-6100111.4L169 M170 F176 F177L169-M173 HydrophobicContact CD1-CG 4.42Å; L169-M173 HydrophobicContact CG-CG 4.39Å; L169-M173 WeakPolarHBondContact O-CG 3.45Å; L169-M173 PolarHBondContact O-N 3.48Å; M170-M173 PolarHBondContact O-N 3.24Å; M173-F176 WeakPolarHBondContact O-CB 3.45Å; M173-F176 PolarHBondContact O-N 2.94Å; M173-F177 HydrophobicContact CE-CE2 3.95Å; M173-F177 HydrophobicContact CE-CZ 4.18Å; M173-F177 WeakPolarHBondContact O-CD2 3.16Å; M173-F177 PolarHBondContact O-N 3.25Å
174V88.6Confident85.3Confident41 Ų4165.4 Ų65.425%0.24832%0.324CS..Hα-helixtrans-64.2-44.7175.51740000110.8M170 A171 F176 F177 I178 L254M170-V174 VanDerWaalsContact O-CG2 3.29Å; M170-V174 WeakPolarHBondContact O-CG2 3.46Å; M170-V174 PolarHBondContact O-N 3.06Å; A171-V174 PolarHBondContact O-N 3.23Å; V174-F176 VanDerWaalsContact C-N 3.29Å; V174-F176 PolarHBondContact O-N 3.42Å; V174-F177 PolarHBondContact O-N 3.04Å; V174-I178 HydrophobicContact CG1-CD1 3.76Å; V174-I178 HydrophobicContact CG1-CG1 4.37Å; V174-I178 VanDerWaalsContact O-CG1 3.28Å; V174-I178 WeakPolarHBondContact O-CG1 3.43Å; V174-I178 PolarHBondContact O-N 3.27Å; V174-L254 HydrophobicContact CG1-CD1 3.7Å
175D88.6Confident85.4Confident5 Ų567 Ų673%0.02733%0.332CS..Hα-helixtrans-58.9-41174.4-84.4-43.3000111.9A171 E172 I178 L179 T249 G251 K252A171-D175 PolarHBondContact O-N 3.12Å; E172-D175 PolarHBondContact O-N 3.18Å; D175-I178 PolarHBondContact O-N 3.49Å; D175-L179 WeakPolarHBondContact O-CB 3.49Å; D175-L179 WeakPolarHBondContact O-CG 3.28Å; D175-L179 PolarHBondContact O-N 3Å; D175-T249 WeakPolarHBondContact OD1-CB 3.3Å; D175-T249 WeakPolarHBondContact OD2-CB 3.48Å; D175-T249 PolarHBondContact OD2-OG1 3.42Å; D175-G251 VanDerWaalsContact CG-N 3.33Å; D175-G251 WeakPolarHBondContact OD1-CA 3.27Å; D175-G251 PolarHBondContact OD1-N 2.9Å; D175-K252 PolarHBondContact OD2-N 2.92Å
176F85.6Confident85.6Confident122 Ų12269.3 Ų69.354%0.53534%0.341SS..Hα-helixtrans-61.4-47.5175.2174.3-99.2000111.9E172 M173 V174 L179 F180E172-F176 WeakPolarHBondContact O-CB 3.18Å; E172-F176 PolarHBondContact O-N 3.06Å; M173-F176 WeakPolarHBondContact O-CB 3.45Å; M173-F176 PolarHBondContact O-N 2.94Å; V174-F176 VanDerWaalsContact C-N 3.29Å; V174-F176 PolarHBondContact O-N 3.42Å; F176-L179 PolarHBondContact O-N 3.39Å; F176-F180 WeakPolarHBondContact O-CB 3.21Å; F176-F180 PolarHBondContact O-N 2.99Å
177F86.2Confident85.6Confident103 Ų10367.2 Ų67.245%0.45233%0.33SS..Hα-helixtrans-62.8-44.1177.1-74.4-61.6000112.1M173 V174 F180 F181M173-F177 HydrophobicContact CE-CE2 3.95Å; M173-F177 HydrophobicContact CE-CZ 4.18Å; M173-F177 WeakPolarHBondContact O-CD2 3.16Å; M173-F177 PolarHBondContact O-N 3.25Å; V174-F177 PolarHBondContact O-N 3.04Å; F177-F180 WeakPolarHBondContact O-CB 3.25Å; F177-F180 PolarHBondContact O-N 3.47Å; F177-F181 HydrophobicContact CB-CE2 4.42Å; F177-F181 WeakPolarHBondContact O-CD2 3.28Å; F177-F181 PolarHBondContact O-N 2.63Å
178I89.2Confident85.4Confident49 Ų4968.7 Ų68.725%0.25134%0.339SS..Hα-helixtrans-59.5-51.2177.9-69.1168.1000110.2V174 D175 F180 F181 I182 P250 L254V174-I178 HydrophobicContact CG1-CD1 3.76Å; V174-I178 HydrophobicContact CG1-CG1 4.37Å; V174-I178 VanDerWaalsContact O-CG1 3.28Å; V174-I178 WeakPolarHBondContact O-CG1 3.43Å; V174-I178 PolarHBondContact O-N 3.27Å; D175-I178 PolarHBondContact O-N 3.49Å; I178-F180 VanDerWaalsContact C-N 3.3Å; I178-F180 PolarHBondContact O-N 3.26Å; I178-F181 PolarHBondContact O-N 3.33Å; I178-I182 HydrophobicContact CG2-CD1 3.77Å; I178-I182 VanDerWaalsContact O-CG1 3.3Å; I178-I182 WeakPolarHBondContact O-CG1 3.27Å; I178-I182 PolarHBondContact O-N 3.35Å; I178-P250 HydrophobicContact CD1-CB 3.94Å; I178-L254 HydrophobicContact CD1-CD1 4.03Å
179L86.7Confident85.1Confident41 Ų4170.2 Ų70.222%0.21535%0.353CS..Hα-helixtrans-64.3-35.4178.9-72.1175.5000112.2D175 F176 I182 K183 V234 Y237D175-L179 WeakPolarHBondContact O-CB 3.49Å; D175-L179 WeakPolarHBondContact O-CG 3.28Å; D175-L179 PolarHBondContact O-N 3Å; F176-L179 PolarHBondContact O-N 3.39Å; L179-I182 PolarHBondContact O-N 3.49Å; L179-K183 VanDerWaalsContact O-CB 3.23Å; L179-K183 WeakPolarHBondContact O-CB 3.19Å; L179-K183 PolarHBondContact O-N 3.18Å; L179-V234 HydrophobicContact CD1-CG1 4.06Å; L179-Y237 HydrophobicContact CD1-CD1 4.1Å; L179-Y237 HydrophobicContact CD1-CE1 3.92Å; L179-Y237 HydrophobicContact CD2-CD1 3.88Å; L179-Y237 HydrophobicContact CD2-CD2 4.25Å; L179-Y237 HydrophobicContact CD2-CE1 3.72Å; L179-Y237 HydrophobicContact CD2-CE2 4.09Å; L179-Y237 HydrophobicContact CD2-CG 4.1Å; L179-Y237 HydrophobicContact CG-CD1 4.47Å; L179-Y237 HydrophobicContact CG-CE1 4.05Å
180F84.3Confident85Confident107 Ų10772.3 Ų72.347%0.46936%0.363SS..Hα-helixtrans-62.4-48.4174.6175.7-99.2000111.7F176 F177 I178 K183 A184F176-F180 WeakPolarHBondContact O-CB 3.21Å; F176-F180 PolarHBondContact O-N 2.99Å; F177-F180 WeakPolarHBondContact O-CB 3.25Å; F177-F180 PolarHBondContact O-N 3.47Å; I178-F180 VanDerWaalsContact C-N 3.3Å; I178-F180 PolarHBondContact O-N 3.26Å; F180-K183 PolarHBondContact O-N 2.75Å; F180-A184 WeakPolarHBondContact O-CB 3.23Å; F180-A184 PolarHBondContact O-N 2.67Å
181F88.1Confident84.3Confident130 Ų13069.9 Ų69.957%0.5735%0.351SS*.Hα-helixtrans-65.4-39.6177.6-75.8-62.7000112.5F177 I178 A184 T185F177-F181 HydrophobicContact CB-CE2 4.42Å; F177-F181 WeakPolarHBondContact O-CD2 3.28Å; F177-F181 PolarHBondContact O-N 2.63Å; I178-F181 PolarHBondContact O-N 3.33Å; F181-A184 PolarHBondContact O-N 2.93Å; F181-T185 VanDerWaalsContact O-CB 3.29Å; F181-T185 WeakPolarHBondContact O-CB 3.45Å; F181-T185 PolarHBondContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 3.38Å
182I87.3Confident83.7Confident83 Ų8377 Ų7743%0.42638%0.384SS..Hα-helixtrans-61.2-48.6174.3-68.2167.3000109.9I178 L179 A184 T185 I186I178-I182 HydrophobicContact CG2-CD1 3.77Å; I178-I182 VanDerWaalsContact O-CG1 3.3Å; I178-I182 WeakPolarHBondContact O-CG1 3.27Å; I178-I182 PolarHBondContact O-N 3.35Å; L179-I182 PolarHBondContact O-N 3.49Å; I182-A184 PolarHBondContact O-N 3.23Å; I182-T185 PolarHBondContact O-N 2.85Å; I182-I186 HydrophobicContact CG2-CD1 3.81Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.45Å; I182-I186 PolarHBondContact O-N 3.5Å
183K83.1Confident83.2Confident95 Ų9582.2 Ų82.241%0.41341%0.412SS..Hα-helixtrans-58.4-48.5177.4-177-177.9178.5-175.50111.5L179 F180 T185 I186 I187L179-K183 VanDerWaalsContact O-CB 3.23Å; L179-K183 WeakPolarHBondContact O-CB 3.19Å; L179-K183 PolarHBondContact O-N 3.18Å; F180-K183 PolarHBondContact O-N 2.75Å; K183-T185 VanDerWaalsContact C-N 3.34Å; K183-T185 PolarHBondContact O-N 2.83Å; K183-I186 PolarHBondContact O-N 2.97Å; K183-I187 HydrophobicContact CG-CD1 3.94Å; K183-I187 VanDerWaalsContact O-CG1 3.29Å; K183-I187 WeakPolarHBondContact O-CG1 3.41Å; K183-I187 PolarHBondContact O-N 3.35Å
184A81.9Confident82.5Confident28 Ų2881.7 Ų81.723%0.23142%0.416CS..Hα-helixtrans-61.3-43.2177.900000111.5F180 F181 I182 I186 I187 I188F180-A184 WeakPolarHBondContact O-CB 3.23Å; F180-A184 PolarHBondContact O-N 2.67Å; F181-A184 PolarHBondContact O-N 2.93Å; I182-A184 PolarHBondContact O-N 3.23Å; A184-I186 PolarHBondContact O-N 3.3Å; A184-I187 PolarHBondContact O-N 2.95Å; A184-I188 WeakPolarHBondContact O-CB 3.3Å; A184-I188 WeakPolarHBondContact O-CD1 3.46Å; A184-I188 WeakPolarHBondContact O-CG1 3.28Å; A184-I188 PolarHBondContact O-N 2.98Å
185T85.9Confident81.3Confident82 Ų8282.7 Ų82.750%0.50344%0.435SS..Hα-helixtrans-62.5-42.3177.6-57.40000111.4F181 I182 K183 I188 S189F181-T185 VanDerWaalsContact O-CB 3.29Å; F181-T185 WeakPolarHBondContact O-CB 3.45Å; F181-T185 PolarHBondContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 3.38Å; I182-T185 PolarHBondContact O-N 2.85Å; K183-T185 VanDerWaalsContact C-N 3.34Å; K183-T185 PolarHBondContact O-N 2.83Å; T185-I188 PolarHBondContact O-N 2.87Å; T185-S189 WeakPolarHBondContact O-CB 3.4Å; T185-S189 PolarHBondContact O-N 3.32Å; T185-S189 PolarHBondContact O-OG 2.59Å
186I84.8Confident79.7Confident89 Ų8985.1 Ų85.146%0.45645%0.447SS..Hα-helixtrans-62.4-47.7176.1-68.9166.1000110.4I182 K183 A184 I188 S189 I190I182-I186 HydrophobicContact CG2-CD1 3.81Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.45Å; I182-I186 PolarHBondContact O-N 3.5Å; K183-I186 PolarHBondContact O-N 2.97Å; A184-I186 PolarHBondContact O-N 3.3Å; I186-I188 PolarHBondContact O-N 3.02Å; I186-S189 PolarHBondContact O-N 3.2Å; I186-I190 HydrophobicContact CG2-CD1 3.73Å; I186-I190 HydrophobicContact CG2-CG1 4.41Å; I186-I190 VanDerWaalsContact O-CG1 3.31Å; I186-I190 WeakPolarHBondContact O-CG1 3.31Å; I186-I190 PolarHBondContact O-N 3.06Å
187I80.9Confident78.3Confident80 Ų8088.8 Ų88.841%0.4146%0.463SS..Hα-helixtrans-59.6-48.5178.4-67.6166.1000110.6K183 A184 S189 I190 M191K183-I187 HydrophobicContact CG-CD1 3.94Å; K183-I187 VanDerWaalsContact O-CG1 3.29Å; K183-I187 WeakPolarHBondContact O-CG1 3.41Å; K183-I187 PolarHBondContact O-N 3.35Å; A184-I187 PolarHBondContact O-N 2.95Å; I187-S189 VanDerWaalsContact C-N 3.31Å; I187-S189 PolarHBondContact O-N 3.4Å; I187-I190 PolarHBondContact O-N 3.49Å; I187-M191 WeakPolarHBondContact O-CB 3.49Å; I187-M191 PolarHBondContact O-N 3.21Å
188I81.6Confident76.9Confident98 Ų9888.1 Ų88.150%0.50346%0.464SS..Hα-helixtrans-62.6-39.9177.8-68.1165.6000110.9A184 T185 I186 M191 H192A184-I188 WeakPolarHBondContact O-CB 3.3Å; A184-I188 WeakPolarHBondContact O-CD1 3.46Å; A184-I188 WeakPolarHBondContact O-CG1 3.28Å; A184-I188 PolarHBondContact O-N 2.98Å; T185-I188 PolarHBondContact O-N 2.87Å; I186-I188 PolarHBondContact O-N 3.02Å; I188-M191 PolarHBondContact O-N 3.42Å; I188-H192 WeakPolarHBondContact O-CB 3.33Å; I188-H192 PolarHBondContact O-N 2.83Å
189S80.9Confident75.3Confident52 Ų5290.2 Ų90.236%0.36448%0.479SS..Hα-helixtrans-65.9-44.2178.8-60.80000111.6T185 I186 I187 M191 H192 L193T185-S189 WeakPolarHBondContact O-CB 3.4Å; T185-S189 PolarHBondContact O-N 3.32Å; T185-S189 PolarHBondContact O-OG 2.59Å; I186-S189 PolarHBondContact O-N 3.2Å; I187-S189 VanDerWaalsContact C-N 3.31Å; I187-S189 PolarHBondContact O-N 3.4Å; S189-M191 VanDerWaalsContact C-N 3.35Å; S189-H192 PolarHBondContact O-N 2.85Å; S189-L193 VanDerWaalsContact O-CB 3.31Å; S189-L193 WeakPolarHBondContact O-CB 3.45Å; S189-L193 VanDerWaalsContact O-CG 3.23Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.88Å
190I79.1Confident73.8Confident93 Ų9392.6 Ų92.648%0.47750%0.499SS..Hα-helixtrans-62.8-44.2175.4-67.6166.9000110.2I186 I187 H192 L193 S194I186-I190 HydrophobicContact CG2-CD1 3.73Å; I186-I190 HydrophobicContact CG2-CG1 4.41Å; I186-I190 VanDerWaalsContact O-CG1 3.31Å; I186-I190 WeakPolarHBondContact O-CG1 3.31Å; I186-I190 PolarHBondContact O-N 3.06Å; I187-I190 PolarHBondContact O-N 3.49Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 PolarHBondContact O-N 3.37Å; I190-L193 PolarHBondContact O-N 3.32Å; I190-S194 VanDerWaalsContact O-CB 3.29Å; I190-S194 WeakPolarHBondContact O-CB 3.4Å; I190-S194 PolarHBondContact O-N 2.8Å; I190-S194 PolarHBondContact O-OG 3.46Å
191M71.2Confident72.3Confident54 Ų5494.1 Ų94.127%0.26651%0.505SS..Hα-helixtrans-58.5-44176.1-176.917968.700111.5I187 I188 S189I187-M191 WeakPolarHBondContact O-CB 3.49Å; I187-M191 PolarHBondContact O-N 3.21Å; I188-M191 PolarHBondContact O-N 3.42Å; S189-M191 VanDerWaalsContact C-N 3.35Å
192H74.9Confident70.7Confident151 Ų15191.5 Ų91.570%0.69949%0.494SS*.Hα-helixtrans-70.4-44.1178.8-173.5-83.3000112.8I188 S189 I190 S194 G195I188-H192 WeakPolarHBondContact O-CB 3.33Å; I188-H192 PolarHBondContact O-N 2.83Å; S189-H192 PolarHBondContact O-N 2.85Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 PolarHBondContact O-N 3.37Å; H192-S194 VanDerWaalsContact C-N 3.3Å; H192-S194 PolarHBondContact O-N 3.43Å; H192-G195 PolarHBondContact O-N 3.31Å; H192-G195 VanDerWaalsContact O-N 3.16Å
193L75Confident69.3Low147 Ų14789.3 Ų89.377%0.7749%0.488SS*.Hα-helixtrans-67.8-29179-71.9172.3000112.8S189 I190 G195S189-L193 VanDerWaalsContact O-CB 3.31Å; S189-L193 WeakPolarHBondContact O-CB 3.45Å; S189-L193 VanDerWaalsContact O-CG 3.23Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.88Å; I190-L193 PolarHBondContact O-N 3.32Å; L193-G195 PolarHBondContact O-N 2.67Å
194S68.8Low68Low65 Ų6590.5 Ų90.546%0.45550%0.497SS..THydrogen-bonded Turntrans-73.2-1.5175.1-54.90000112.9I190 H192 I196I190-S194 VanDerWaalsContact O-CB 3.29Å; I190-S194 WeakPolarHBondContact O-CB 3.4Å; I190-S194 PolarHBondContact O-N 2.8Å; I190-S194 PolarHBondContact O-OG 3.46Å; H192-S194 VanDerWaalsContact C-N 3.3Å; H192-S194 PolarHBondContact O-N 3.43Å; S194-I196 PolarHBondContact O-N 3.22Å
195G62.7Low66.8Low62 Ų6294.6 Ų94.664%0.63951%0.511SS*.THydrogen-bonded Turntrans72.512.4172.200000114.6H192 L193 K197H192-G195 PolarHBondContact O-N 3.31Å; H192-G195 VanDerWaalsContact O-N 3.16Å; L193-G195 PolarHBondContact O-N 2.67Å; G195-K197 PolarHBondContact O-N 2.92Å; G195-K197 VanDerWaalsContact O-N 3.13Å
196I56.4Low65.4Low57 Ų5796.4 Ų96.429%0.29251%0.512SS..  trans-88.992.3-175.1-59.6158.5000108.1S194 D198 F202S194-I196 PolarHBondContact O-N 3.22Å; I196-D198 PolarHBondContact O-N 3.47Å; I196-F202 HydrophobicContact CB-CB 4.41Å; I196-F202 HydrophobicContact CB-CD2 4.43Å; I196-F202 HydrophobicContact CD1-CB 4.49Å; I196-F202 HydrophobicContact CD1-CD2 3.03Å; I196-F202 HydrophobicContact CD1-CE2 3.1Å; I196-F202 HydrophobicContact CD1-CG 3.81Å; I196-F202 HydrophobicContact CD1-CZ 3.96Å; I196-F202 HydrophobicContact CG1-CD2 4.2Å; I196-F202 HydrophobicContact CG2-CB 3.71Å; I196-F202 HydrophobicContact CG2-CD2 4.24Å; I196-F202 HydrophobicContact CG2-CG 4.24Å
197K56.4Low64.1Low199 Ų19995.9 Ų95.987%0.86551%0.509SS*.  trans-75.3-14.2-179.9-152.2173-179.3-178.10112.8G195 V199G195-K197 PolarHBondContact O-N 2.92Å; G195-K197 VanDerWaalsContact O-N 3.13Å; K197-V199 PolarHBondContact O-N 2.71Å
198D55.3Low62.7Low89 Ų8995.5 Ų95.548%0.47651%0.511SS..  trans-90.785.8172-71-28.3000109.5I196 S200 K201 F202I196-D198 PolarHBondContact O-N 3.47Å; D198-S200 PolarHBondContact O-N 3.26Å; D198-K201 HydrophobicContact CB-CB 3.98Å; D198-K201 HydrophobicContact CB-CD 4.41Å; D198-K201 HydrophobicContact CB-CG 4.36Å; D198-K201 PolarHBondContact O-N 2.84Å; D198-F202 PolarHBondContact O-N 3.47Å
199V55.4Low61.3Low93 Ų9396.1 Ų96.156%0.56451%0.511SS*.Hα-helixtrans-46.2-35170-176.60000110.4K197 A203K197-V199 PolarHBondContact O-N 2.71Å; V199-A203 WeakPolarHBondContact O-CB 3.27Å; V199-A203 PolarHBondContact O-N 3.47Å
200S55.9Low59.9Low90 Ų9098.7 Ų98.763%0.62952%0.517SS*.Hα-helixtrans-70.8-30178.2-1750000115.2D198 M204D198-S200 PolarHBondContact O-N 3.26Å; S200-M204 WeakPolarHBondContact O-CB 3.14Å; S200-M204 PolarHBondContact O-N 3.28Å
201K53.3Low58.7Low139 Ų13999.8 Ų99.860%0.60452%0.523SS*.Hα-helixtrans-87.7-34-179.2-88-179.9-179.5164.70112.6D198 H205D198-K201 HydrophobicContact CB-CB 3.98Å; D198-K201 HydrophobicContact CB-CD 4.41Å; D198-K201 HydrophobicContact CB-CG 4.36Å; D198-K201 PolarHBondContact O-N 2.84Å; K201-H205 WeakPolarHBondContact O-CB 3.01Å; K201-H205 PolarHBondContact O-N 3.45Å
202F54.3Low57.6Low76 Ų76101.3 Ų101.333%0.33353%0.532SS..Hα-helixtrans-75.8-41.5172.5-147.1-116000111.4I196 D198 M204 H205 F206I196-F202 HydrophobicContact CB-CB 4.41Å; I196-F202 HydrophobicContact CB-CD2 4.43Å; I196-F202 HydrophobicContact CD1-CB 4.49Å; I196-F202 HydrophobicContact CD1-CD2 3.03Å; I196-F202 HydrophobicContact CD1-CE2 3.1Å; I196-F202 HydrophobicContact CD1-CG 3.81Å; I196-F202 HydrophobicContact CD1-CZ 3.96Å; I196-F202 HydrophobicContact CG1-CD2 4.2Å; I196-F202 HydrophobicContact CG2-CB 3.71Å; I196-F202 HydrophobicContact CG2-CD2 4.24Å; I196-F202 HydrophobicContact CG2-CG 4.24Å; D198-F202 PolarHBondContact O-N 3.47Å; F202-M204 VanDerWaalsContact C-N 3.34Å; F202-H205 PolarHBondContact O-N 2.98Å; F202-F206 WeakPolarHBondContact O-CB 3.29Å; F202-F206 PolarHBondContact O-N 3.5Å
203A58.7Low56.6Low36 Ų36102.6 Ų102.630%0.29854%0.539SS..Hα-helixtrans-60.6-46.4169.100000109.4V199 H205 F206 I207V199-A203 WeakPolarHBondContact O-CB 3.27Å; V199-A203 PolarHBondContact O-N 3.47Å; A203-H205 PolarHBondContact O-N 3.31Å; A203-F206 PolarHBondContact O-N 2.92Å; A203-I207 HydrophobicContact CB-CD1 3.89Å; A203-I207 WeakPolarHBondContact O-CA 3.5Å; A203-I207 WeakPolarHBondContact O-CB 3.39Å; A203-I207 WeakPolarHBondContact O-CD1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.31Å; A203-I207 PolarHBondContact O-N 3.41Å
204M54.9Low55.4Low121 Ų121102.8 Ų102.860%0.59654%0.54SS*.Hα-helixtrans-66.7-33.9177.9-167.9171.610500113.5S200 F202 V208S200-M204 WeakPolarHBondContact O-CB 3.14Å; S200-M204 PolarHBondContact O-N 3.28Å; F202-M204 VanDerWaalsContact C-N 3.34Å; M204-V208 HydrophobicContact CG-CG2 3.85Å; M204-V208 WeakPolarHBondContact O-CA 3.14Å; M204-V208 WeakPolarHBondContact O-CB 3.44Å; M204-V208 WeakPolarHBondContact O-CG2 2.98Å; M204-V208 PolarHBondContact O-N 3.36Å
205H56.3Low54.6Low113 Ų113101.7 Ų101.752%0.52353%0.531SS..Hα-helixtrans-76.1-38.2175.1-169.8-77.9000112.6K201 F202 A203 E209K201-H205 WeakPolarHBondContact O-CB 3.01Å; K201-H205 PolarHBondContact O-N 3.45Å; F202-H205 PolarHBondContact O-N 2.98Å; A203-H205 PolarHBondContact O-N 3.31Å; H205-E209 VanDerWaalsContact CE1-CD 3.41Å; H205-E209 IonicContact CE1-OE1 2.67Å; H205-E209 IonicContact CE1-OE2 3.92Å; H205-E209 PolarHBondContact CE1-OE2 3.27Å; H205-E209 IonicContact ND1-OE2 3.11Å; H205-E209 PolarHBondContact ND1-OE2 3.43Å; H205-E209 VanDerWaalsContact O-CB 3.27Å; H205-E209 WeakPolarHBondContact O-CB 3.26Å; H205-E209 PolarHBondContact O-N 2.94Å
206F56.7Low54.5Low120 Ų120103.2 Ų103.253%0.52653%0.532SS..Hα-helixtrans-70.8-37.8175.8-169.6-92.3000111.1F202 A203 E210F202-F206 WeakPolarHBondContact O-CB 3.29Å; F202-F206 PolarHBondContact O-N 3.5Å; A203-F206 PolarHBondContact O-N 2.92Å; F206-E210 WeakPolarHBondContact O-CB 3.37Å; F206-E210 PolarHBondContact O-N 2.95Å
207I56.5Low54.7Low78 Ų78107.2 Ų107.240%0.455%0.551SS.*Hα-helixtrans-75.8-32.8174.1-65.2167.7000110.8A203 E210 I211A203-I207 HydrophobicContact CB-CD1 3.89Å; A203-I207 WeakPolarHBondContact O-CA 3.5Å; A203-I207 WeakPolarHBondContact O-CB 3.39Å; A203-I207 WeakPolarHBondContact O-CD1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.31Å; A203-I207 PolarHBondContact O-N 3.41Å; I207-E210 CarbonylContact O-C 3.6Å; I207-E210 PolarHBondContact O-N 3.41Å; I207-I211 HydrophobicContact CG2-CD1 3.39Å; I207-I211 HydrophobicContact CG2-CG1 4.06Å; I207-I211 WeakPolarHBondContact O-CA 3.26Å; I207-I211 WeakPolarHBondContact O-CB 3.45Å; I207-I211 WeakPolarHBondContact O-CG1 3.08Å; I207-I211 PolarHBondContact O-N 2.95Å
208V51.7Low55.5Low73 Ų73104 Ų10444%0.44254%0.539SS..Hα-helixtrans-78.3-34.3174.5167.90000111.1M204 E210 I211 D212M204-V208 HydrophobicContact CG-CG2 3.85Å; M204-V208 WeakPolarHBondContact O-CA 3.14Å; M204-V208 WeakPolarHBondContact O-CB 3.44Å; M204-V208 WeakPolarHBondContact O-CG2 2.98Å; M204-V208 PolarHBondContact O-N 3.36Å; V208-E210 PolarHBondContact O-N 3.3Å; V208-I211 CarbonylContact O-C 3.56Å; V208-I211 PolarHBondContact O-N 3.34Å; V208-D212 WeakPolarHBondContact O-CA 3.43Å; V208-D212 WeakPolarHBondContact O-CB 3.23Å; V208-D212 PolarHBondContact O-N 2.99Å
209E53.3Low56Low111 Ų111101.5 Ų101.552%0.51953%0.525SS..SBendtrans-68.3-20.4165.9-90.4-178.5128.400112.6H205H205-E209 VanDerWaalsContact CE1-CD 3.41Å; H205-E209 IonicContact CE1-OE1 2.67Å; H205-E209 IonicContact CE1-OE2 3.92Å; H205-E209 PolarHBondContact CE1-OE2 3.27Å; H205-E209 IonicContact ND1-OE2 3.11Å; H205-E209 PolarHBondContact ND1-OE2 3.43Å; H205-E209 VanDerWaalsContact O-CB 3.27Å; H205-E209 WeakPolarHBondContact O-CB 3.26Å; H205-E209 PolarHBondContact O-N 2.94Å
210E51.7Low56.5Low105 Ų105102.1 Ų102.149%0.49152%0.524SS..SBendtrans-95.1-9.6175.5-164.2169.5-150.700112.2F206 I207 V208F206-E210 WeakPolarHBondContact O-CB 3.37Å; F206-E210 PolarHBondContact O-N 2.95Å; I207-E210 CarbonylContact O-C 3.6Å; I207-E210 PolarHBondContact O-N 3.41Å; V208-E210 PolarHBondContact O-N 3.3Å
211I53.8Low57.2Low117 Ų117103.9 Ų103.960%0.652%0.522SS*.SBendtrans-138.941179.7-45.8174.1000109.7I207 V208I207-I211 HydrophobicContact CG2-CD1 3.39Å; I207-I211 HydrophobicContact CG2-CG1 4.06Å; I207-I211 WeakPolarHBondContact O-CA 3.26Å; I207-I211 WeakPolarHBondContact O-CB 3.45Å; I207-I211 WeakPolarHBondContact O-CG1 3.08Å; I207-I211 PolarHBondContact O-N 2.95Å; V208-I211 CarbonylContact O-C 3.56Å; V208-I211 PolarHBondContact O-N 3.34Å
212D48.2Very low58.2Low86 Ų86102.8 Ų102.846%0.4652%0.518SS..  trans-90.2119.1167.3-158.612.6000107.7V208 D214V208-D212 WeakPolarHBondContact O-CA 3.43Å; V208-D212 WeakPolarHBondContact O-CB 3.23Å; V208-D212 PolarHBondContact O-N 2.99Å; D212-D214 PolarHBondContact O-N 2.88Å; D212-D214 VanDerWaalsContact O-N 3.09Å
213E52.8Low59Low178 Ų178104.3 Ų104.383%0.83253%0.527SS*.THydrogen-bonded Turntrans-78.83.4-158.2-149.2162.5168.200112.8
214D50.8Low59.7Low150 Ų150108.7 Ų108.780%0.80254%0.543SS*.THydrogen-bonded Turntrans-129.33.3-171.7-74.7-44.1000117.2D212D212-D214 PolarHBondContact O-N 2.88Å; D212-D214 VanDerWaalsContact O-N 3.09Å
215T51.8Low60.8Low42 Ų42107.7 Ų107.726%0.25854%0.54SS..  trans-111.745.7-178.7-43.80000113.5M217 E218 E219T215-M217 PolarHBondContact O-N 2.82Å; T215-E218 HydrophobicContact CG2-CB 4.27Å; T215-E219 VanDerWaalsContact CB-OE1 3.28Å; T215-E219 WeakPolarHBondContact CB-OE1 3.3Å; T215-E219 HydrophobicContact CG2-CG 3.81Å; T215-E219 WeakPolarHBondContact O-CB 3.21Å; T215-E219 PolarHBondContact O-N 3.46Å; T215-E219 PolarHBondContact OG1-OE1 2.82Å
216S60Low61.8Low94 Ų94106 Ų10666%0.65754%0.537SS*.THydrogen-bonded Turntrans-61.1-20.1-156.464.50000119.6L220S216-L220 VanDerWaalsContact O-CB 3.24Å; S216-L220 WeakPolarHBondContact O-CB 3.31Å
217M60.8Low62.7Low142 Ų142102.8 Ų102.870%0.753%0.532SS*.THydrogen-bonded Turntrans-106.4-38.7-179.2-70.5-64.5-17100113.6T215 Q221T215-M217 PolarHBondContact O-N 2.82Å; M217-Q221 VanDerWaalsContact O-CB 3.24Å; M217-Q221 WeakPolarHBondContact O-CB 3.06Å; M217-Q221 PolarHBondContact O-N 3.32Å
218E73.6Confident63.8Low131 Ų131102.5 Ų102.561%0.61253%0.531SS*.Hα-helixtrans-76.2-38.2-177.9-67.2166.2-17300111T215 Q221 K222T215-E218 HydrophobicContact CG2-CB 4.27Å; E218-Q221 PolarHBondContact O-N 2.83Å; E218-K222 WeakPolarHBondContact O-CB 3.48Å; E218-K222 WeakPolarHBondContact O-CG 3.29Å; E218-K222 PolarHBondContact O-N 3.31Å
219E65.6Low65.4Low37 Ų37102.4 Ų102.417%0.17353%0.531CS..Hα-helixtrans-72.8-36.9173.7-75.7174.1-170.200112.3T215 Q221 K222 M223T215-E219 VanDerWaalsContact CB-OE1 3.28Å; T215-E219 WeakPolarHBondContact CB-OE1 3.3Å; T215-E219 HydrophobicContact CG2-CG 3.81Å; T215-E219 WeakPolarHBondContact O-CB 3.21Å; T215-E219 PolarHBondContact O-N 3.46Å; T215-E219 PolarHBondContact OG1-OE1 2.82Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 2.93Å; E219-K222 HydrophobicContact CG-CD 4.49Å; E219-K222 PolarHBondContact O-N 2.94Å; E219-M223 WeakPolarHBondContact O-CB 3.29Å; E219-M223 PolarHBondContact O-N 3.36Å
220L65.6Low66.8Low105 Ų105101.5 Ų101.555%0.5552%0.523SS..Hα-helixtrans-60.9-41.6170.6-176.563.3000111.1S216 M223 M224S216-L220 VanDerWaalsContact O-CB 3.24Å; S216-L220 WeakPolarHBondContact O-CB 3.31Å; L220-M223 PolarHBondContact O-N 2.88Å; L220-M224 VanDerWaalsContact O-CB 3.27Å; L220-M224 WeakPolarHBondContact O-CB 3.01Å; L220-M224 PolarHBondContact O-N 3.19Å
221Q71.6Confident68.4Low127 Ų12799.9 Ų99.959%0.59351%0.513SS*.Hα-helixtrans-66.4-39.9174.5-175.9178.8-39.800112M217 E218 E219 M224 L225M217-Q221 VanDerWaalsContact O-CB 3.24Å; M217-Q221 WeakPolarHBondContact O-CB 3.06Å; M217-Q221 PolarHBondContact O-N 3.32Å; E218-Q221 PolarHBondContact O-N 2.83Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 2.93Å; Q221-M224 PolarHBondContact O-N 3.16Å; Q221-L225 VanDerWaalsContact O-CB 3.22Å; Q221-L225 WeakPolarHBondContact O-CB 3.44Å; Q221-L225 PolarHBondContact O-N 2.85Å
222K73.8Confident69.9Low117 Ų11797.4 Ų97.451%0.50950%0.5SS..Hα-helixtrans-63.6-44.5175.3-73.6166.7-169.8171.10111.2E218 E219 L225 V226E218-K222 WeakPolarHBondContact O-CB 3.48Å; E218-K222 WeakPolarHBondContact O-CG 3.29Å; E218-K222 PolarHBondContact O-N 3.31Å; E219-K222 HydrophobicContact CG-CD 4.49Å; E219-K222 PolarHBondContact O-N 2.94Å; K222-L225 PolarHBondContact O-N 3.43Å; K222-V226 WeakPolarHBondContact O-CB 3.24Å; K222-V226 VanDerWaalsContact O-CG2 3.3Å; K222-V226 WeakPolarHBondContact O-CG2 3.39Å; K222-V226 PolarHBondContact O-N 3Å
223M70.1Confident71.7Confident108 Ų10898 Ų9853%0.53250%0.503SS..Hα-helixtrans-62.1-45.6175.7-168.1-162.8-16700110.9E219 L220 L225 V226 A227E219-M223 WeakPolarHBondContact O-CB 3.29Å; E219-M223 PolarHBondContact O-N 3.36Å; L220-M223 PolarHBondContact O-N 2.88Å; M223-L225 PolarHBondContact O-N 3.49Å; M223-V226 PolarHBondContact O-N 3.35Å; M223-A227 VanDerWaalsContact O-CB 3.29Å; M223-A227 WeakPolarHBondContact O-CB 3.31Å; M223-A227 PolarHBondContact O-N 2.82Å
224M74.3Confident73.4Confident128 Ų12891.7 Ų91.763%0.63148%0.476SS*.Hα-helixtrans-63.5-40.3176-175.4178.563.800111.9L220 Q221 A227 L228L220-M224 VanDerWaalsContact O-CB 3.27Å; L220-M224 WeakPolarHBondContact O-CB 3.01Å; L220-M224 PolarHBondContact O-N 3.19Å; Q221-M224 PolarHBondContact O-N 3.16Å; M224-A227 PolarHBondContact O-N 3.12Å; M224-L228 VanDerWaalsContact O-CB 3.23Å; M224-L228 WeakPolarHBondContact O-CB 3.23Å; M224-L228 PolarHBondContact O-N 3.41Å
225L78Confident75.2Confident100 Ų10084.8 Ų84.852%0.52444%0.44SS..Hα-helixtrans-65-46.3177.5-17967.3000111Q221 K222 M223 A227 L228 V229Q221-L225 VanDerWaalsContact O-CB 3.22Å; Q221-L225 WeakPolarHBondContact O-CB 3.44Å; Q221-L225 PolarHBondContact O-N 2.85Å; K222-L225 PolarHBondContact O-N 3.43Å; M223-L225 PolarHBondContact O-N 3.49Å; L225-A227 VanDerWaalsContact C-N 3.34Å; L225-L228 WeakPolarHBondContact O-CB 3.37Å; L225-L228 PolarHBondContact O-N 3.5Å; L225-V229 VanDerWaalsContact O-CG2 3.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.41Å
226V77.7Confident77.1Confident76 Ų7688.6 Ų88.646%0.46145%0.453SS..Hα-helixtrans-61.5-45.5176.3170.50000110.3K222 M223 L228 V229 Y230K222-V226 WeakPolarHBondContact O-CB 3.24Å; K222-V226 VanDerWaalsContact O-CG2 3.3Å; K222-V226 WeakPolarHBondContact O-CG2 3.39Å; K222-V226 PolarHBondContact O-N 3Å; M223-V226 PolarHBondContact O-N 3.35Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 3.31Å; V226-V229 PolarHBondContact O-N 3.15Å; V226-Y230 HydrophobicContact CG1-CD2 3.73Å; V226-Y230 HydrophobicContact CG1-CE2 3.46Å; V226-Y230 VanDerWaalsContact CG1-CE2 3.46Å; V226-Y230 WeakPolarHBondContact O-CD2 3.35Å; V226-Y230 PolarHBondContact O-N 3.21Å
227A75.4Confident78.6Confident53 Ų5387 Ų8744%0.43843%0.433SS..Hα-helixtrans-59.4-41.7174.800000112M223 M224 L225 Y230 R231M223-A227 VanDerWaalsContact O-CB 3.29Å; M223-A227 WeakPolarHBondContact O-CB 3.31Å; M223-A227 PolarHBondContact O-N 2.82Å; M224-A227 PolarHBondContact O-N 3.12Å; L225-A227 VanDerWaalsContact C-N 3.34Å; A227-Y230 PolarHBondContact O-N 3.1Å; A227-R231 VanDerWaalsContact O-CG 3.28Å; A227-R231 WeakPolarHBondContact O-CG 3.29Å; A227-R231 PolarHBondContact O-N 3.02Å
228L80.6Confident80Confident72 Ų7280.5 Ų80.538%0.37740%0.401SS..Hα-helixtrans-65.7-43.8176.7-179.465.4000112M224 L225 V226 Y230 R231 I232 F295M224-L228 VanDerWaalsContact O-CB 3.23Å; M224-L228 WeakPolarHBondContact O-CB 3.23Å; M224-L228 PolarHBondContact O-N 3.41Å; L225-L228 WeakPolarHBondContact O-CB 3.37Å; L225-L228 PolarHBondContact O-N 3.5Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 3.31Å; L228-Y230 PolarHBondContact O-N 3.44Å; L228-R231 WeakPolarHBondContact O-CB 3.16Å; L228-R231 PolarHBondContact O-N 2.8Å; L228-R231 VanDerWaalsContact O-N 3.12Å; L228-I232 HydrophobicContact CD1-CD1 4.45Å; L228-I232 HydrophobicContact CG-CD1 4.04Å; L228-I232 WeakPolarHBondContact O-CG1 3.38Å; L228-I232 PolarHBondContact O-N 3.35Å; L228-F295 HydrophobicContact CD1-CE1 3.76Å; L228-F295 HydrophobicContact CD1-CZ 4.15Å
229V83.8Confident80.9Confident72 Ų7275.1 Ų75.144%0.43638%0.376SS..Hα-helixtrans-60.2-46.9176.6168.60000110.3L225 V226 R231 I232 L233L225-V229 VanDerWaalsContact O-CG2 3.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 3.41Å; V226-V229 PolarHBondContact O-N 3.15Å; V229-R231 VanDerWaalsContact C-N 3.28Å; V229-R231 PolarHBondContact O-N 3.34Å; V229-I232 WeakPolarHBondContact O-CB 3.28Å; V229-I232 PolarHBondContact O-N 2.79Å; V229-I232 VanDerWaalsContact O-N 3.17Å; V229-L233 HydrophobicContact CG1-CD1 4.37Å; V229-L233 WeakPolarHBondContact O-CG 2.88Å; V229-L233 PolarHBondContact O-N 3.31Å
230Y82.9Confident82.1Confident91 Ų9177.7 Ų77.736%0.35739%0.394SS..Hα-helixtrans-60.1-38.6174.8-78.3-61.7000112.1V226 A227 L228 L233 V234V226-Y230 HydrophobicContact CG1-CD2 3.73Å; V226-Y230 HydrophobicContact CG1-CE2 3.46Å; V226-Y230 VanDerWaalsContact CG1-CE2 3.46Å; V226-Y230 WeakPolarHBondContact O-CD2 3.35Å; V226-Y230 PolarHBondContact O-N 3.21Å; A227-Y230 PolarHBondContact O-N 3.1Å; L228-Y230 PolarHBondContact O-N 3.44Å; Y230-L233 HydrophobicContact CD1-CD1 4.34Å; Y230-L233 PolarHBondContact O-N 3.21Å; Y230-V234 WeakPolarHBondContact O-CG2 3.39Å; Y230-V234 PolarHBondContact O-N 3.26Å
231R84.8Confident83.3Confident71 Ų7173.3 Ų73.327%0.26837%0.372SS..Hα-helixtrans-64.1-42174.7-73.4-75.2-177.6157.2-0.9112.3A227 L228 V229 L233 V234 C235 N294A227-R231 VanDerWaalsContact O-CG 3.28Å; A227-R231 WeakPolarHBondContact O-CG 3.29Å; A227-R231 PolarHBondContact O-N 3.02Å; L228-R231 WeakPolarHBondContact O-CB 3.16Å; L228-R231 PolarHBondContact O-N 2.8Å; L228-R231 VanDerWaalsContact O-N 3.12Å; V229-R231 VanDerWaalsContact C-N 3.28Å; V229-R231 PolarHBondContact O-N 3.34Å; R231-L233 VanDerWaalsContact C-N 3.34Å; R231-L233 PolarHBondContact O-N 3.12Å; R231-V234 PolarHBondContact O-N 3.45Å; R231-C235 PolarHBondContact O-N 2.87Å; R231-C235 PolarHBondContact O-SG 3.39Å; R231-N294 PolarHBondContact NH1-O 3.43Å
232I85.6Confident84.3Confident66 Ų6667.3 Ų67.334%0.33834%0.344SS..Hα-helixtrans-61.2-43.1175.4-70.3167.4000110.5L228 V229 V234 C235 F236L228-I232 HydrophobicContact CD1-CD1 4.45Å; L228-I232 HydrophobicContact CG-CD1 4.04Å; L228-I232 WeakPolarHBondContact O-CG1 3.38Å; L228-I232 PolarHBondContact O-N 3.35Å; V229-I232 WeakPolarHBondContact O-CB 3.28Å; V229-I232 PolarHBondContact O-N 2.79Å; V229-I232 VanDerWaalsContact O-N 3.17Å; I232-V234 PolarHBondContact O-N 2.92Å; I232-C235 VanDerWaalsContact O-CB 3.31Å; I232-C235 WeakPolarHBondContact O-CB 3.28Å; I232-C235 PolarHBondContact O-N 3.43Å; I232-F236 HydrophobicContact CG2-CD2 3.64Å; I232-F236 HydrophobicContact CG2-CE2 3.35Å; I232-F236 HydrophobicContact CG2-CZ 4.5Å; I232-F236 WeakPolarHBondContact O-CD2 3.49Å; I232-F236 PolarHBondContact O-N 2.93Å
233L87.1Confident85.2Confident99 Ų9968.5 Ų68.552%0.51835%0.345SS..Hα-helixtrans-61.4-42175.9-69.2173.9000112.3V229 Y230 R231 C235 F236 Y237V229-L233 HydrophobicContact CG1-CD1 4.37Å; V229-L233 WeakPolarHBondContact O-CG 2.88Å; V229-L233 PolarHBondContact O-N 3.31Å; Y230-L233 HydrophobicContact CD1-CD1 4.34Å; Y230-L233 PolarHBondContact O-N 3.21Å; R231-L233 VanDerWaalsContact C-N 3.34Å; R231-L233 PolarHBondContact O-N 3.12Å; L233-C235 VanDerWaalsContact C-N 3.33Å; L233-C235 PolarHBondContact O-N 3.49Å; L233-F236 PolarHBondContact O-N 3.16Å; L233-Y237 PolarHBondContact O-N 3.29Å
234V87.3Confident85.9Confident45 Ų4565.9 Ų65.927%0.27335%0.346SS..Hα-helixtrans-63.8-39.2174.9176.10000111.1L179 Y230 R231 I232 Y237 E238 N294L179-V234 HydrophobicContact CD1-CG1 4.06Å; Y230-V234 WeakPolarHBondContact O-CG2 3.39Å; Y230-V234 PolarHBondContact O-N 3.26Å; R231-V234 PolarHBondContact O-N 3.45Å; I232-V234 PolarHBondContact O-N 2.92Å; V234-Y237 WeakPolarHBondContact O-CB 3.31Å; V234-Y237 PolarHBondContact O-N 2.83Å; V234-E238 PolarHBondContact O-N 2.71Å; V234-N294 VanDerWaalsContact CG1-OD1 3.27Å; V234-N294 WeakPolarHBondContact CG1-OD1 3.33Å
235C89.3Confident86.4Confident4 Ų462.8 Ų62.83%0.02734%0.341CS..Hα-helixtrans-58.9-48.5172.5-65.90000111.4R231 I232 L233 Y237 E238 I239 L291 N294R231-C235 PolarHBondContact O-N 2.87Å; R231-C235 PolarHBondContact O-SG 3.39Å; I232-C235 VanDerWaalsContact O-CB 3.31Å; I232-C235 WeakPolarHBondContact O-CB 3.28Å; I232-C235 PolarHBondContact O-N 3.43Å; L233-C235 VanDerWaalsContact C-N 3.33Å; L233-C235 PolarHBondContact O-N 3.49Å; C235-Y237 VanDerWaalsContact C-N 3.34Å; C235-Y237 PolarHBondContact O-N 3.31Å; C235-E238 PolarHBondContact O-N 2.97Å; C235-I239 WeakPolarHBondContact O-CG1 3.31Å; C235-I239 PolarHBondContact O-N 2.96Å; C235-L291 HydrophobicContact CB-CD2 4.1Å; C235-N294 WeakPolarHBondContact SG-CB 3.14Å
236F91Very high86.6Confident123 Ų12359.5 Ų59.554%0.53933%0.332SS..Hα-helixtrans-59.4-44.8177.9-81.6-65.8000112I232 L233 E238 I239 V240I232-F236 HydrophobicContact CG2-CD2 3.64Å; I232-F236 HydrophobicContact CG2-CE2 3.35Å; I232-F236 HydrophobicContact CG2-CZ 4.5Å; I232-F236 WeakPolarHBondContact O-CD2 3.49Å; I232-F236 PolarHBondContact O-N 2.93Å; L233-F236 PolarHBondContact O-N 3.16Å; F236-E238 VanDerWaalsContact C-N 3.34Å; F236-E238 PolarHBondContact O-N 2.85Å; F236-I239 PolarHBondContact O-N 3.48Å; F236-V240 VanDerWaalsContact O-CG2 3.31Å; F236-V240 WeakPolarHBondContact O-CG2 3.22Å; F236-V240 PolarHBondContact O-N 3.37Å
237Y91.5Very high87.1Confident60 Ų6056 Ų5624%0.23531%0.311CS..Hα-helixtrans-56-47.5174.2166.9-95.8000111.9L179 L233 V234 C235 V240 C241 T249 P250L179-Y237 HydrophobicContact CD1-CD1 4.1Å; L179-Y237 HydrophobicContact CD1-CE1 3.92Å; L179-Y237 HydrophobicContact CD2-CD1 3.88Å; L179-Y237 HydrophobicContact CD2-CD2 4.25Å; L179-Y237 HydrophobicContact CD2-CE1 3.72Å; L179-Y237 HydrophobicContact CD2-CE2 4.09Å; L179-Y237 HydrophobicContact CD2-CG 4.1Å; L179-Y237 HydrophobicContact CG-CD1 4.47Å; L179-Y237 HydrophobicContact CG-CE1 4.05Å; L233-Y237 PolarHBondContact O-N 3.29Å; V234-Y237 WeakPolarHBondContact O-CB 3.31Å; V234-Y237 PolarHBondContact O-N 2.83Å; C235-Y237 VanDerWaalsContact C-N 3.34Å; C235-Y237 PolarHBondContact O-N 3.31Å; Y237-V240 PolarHBondContact O-N 3.37Å; Y237-C241 WeakPolarHBondContact O-CB 3.37Å; Y237-C241 PolarHBondContact O-N 3.43Å; Y237-C241 PolarHBondContact O-SG 3.49Å; Y237-T249 HydrophobicContact CE1-CG2 4.49Å; Y237-P250 HydrophobicContact CE2-CG 4.5Å; Y237-P250 WeakPolarHBondContact OH-CD 3.22Å; Y237-P250 WeakPolarHBondContact OH-CG 3.29Å
238E90.6Very high87.8Confident5 Ų553.9 Ų53.92%0.02329%0.293CS..Hα-helixtrans-66.1-41.7179.2-175.1162.8-167.300111.9V234 C235 F236 V240 C241 I242 T249 R289 A290 K293 N294V234-E238 PolarHBondContact O-N 2.71Å; C235-E238 PolarHBondContact O-N 2.97Å; F236-E238 VanDerWaalsContact C-N 3.34Å; F236-E238 PolarHBondContact O-N 2.85Å; E238-V240 PolarHBondContact O-N 2.9Å; E238-C241 PolarHBondContact O-N 3.29Å; E238-I242 HydrophobicContact CG-CG1 4.01Å; E238-I242 WeakPolarHBondContact O-CB 3.49Å; E238-I242 VanDerWaalsContact O-CG1 3.22Å; E238-I242 WeakPolarHBondContact O-CG1 3.47Å; E238-I242 PolarHBondContact O-N 3.41Å; E238-T249 HydrophobicContact CB-CG2 4.49Å; E238-T249 HydrophobicContact CG-CG2 3.99Å; E238-R289 IonicContact OE1-CZ 3.7Å; E238-R289 IonicContact OE1-NH1 2.84Å; E238-R289 PolarHBondContact OE1-NH1 2.66Å; E238-R289 IonicContact OE1-NH2 3.81Å; E238-A290 HydrophobicContact CB-CB 4.03Å; E238-A290 HydrophobicContact CG-CB 4.08Å; E238-K293 VanDerWaalsContact OE1-CD 3.29Å; E238-K293 WeakPolarHBondContact OE1-CD 3.23Å; E238-K293 IonicContact OE1-NZ 3.39Å; E238-K293 PolarHBondContact OE1-NZ 3.38Å; E238-K293 IonicContact OE2-NZ 2.98Å; E238-K293 PolarHBondContact OE2-NZ 3.43Å; E238-N294 PolarHBondContact OE2-ND2 2.89Å
239I91.7Very high88.3Confident18 Ų1850.5 Ų50.59%0.09228%0.276CS..Hα-helixtrans-55.8-52.4175-70.3165.8000110C235 F236 C241 I242 W243 L283 T287 A290C235-I239 WeakPolarHBondContact O-CG1 3.31Å; C235-I239 PolarHBondContact O-N 2.96Å; F236-I239 PolarHBondContact O-N 3.48Å; I239-C241 VanDerWaalsContact C-N 3.33Å; I239-C241 PolarHBondContact O-N 3.43Å; I239-I242 PolarHBondContact O-N 2.85Å; I239-W243 VanDerWaalsContact O-CB 3.28Å; I239-W243 WeakPolarHBondContact O-CB 3.34Å; I239-W243 PolarHBondContact O-N 3.13Å; I239-L283 HydrophobicContact CG2-CD1 3.73Å; I239-T287 HydrophobicContact CD1-CG2 4.03Å; I239-A290 HydrophobicContact CD1-CB 4.34Å; I239-A290 HydrophobicContact CG1-CB 3.68Å
240V91.7Very high88.6Confident91 Ų9149.3 Ų49.355%0.55227%0.269SS*.Iπ-helixtrans-62.1-40.8-179.2173.30000111.3F236 Y237 E238 G244 A245F236-V240 VanDerWaalsContact O-CG2 3.31Å; F236-V240 WeakPolarHBondContact O-CG2 3.22Å; F236-V240 PolarHBondContact O-N 3.37Å; Y237-V240 PolarHBondContact O-N 3.37Å; E238-V240 PolarHBondContact O-N 2.9Å; V240-G244 CarbonylContact O-C 3.59Å; V240-G244 WeakPolarHBondContact O-CA 3.34Å; V240-G244 PolarHBondContact O-N 3.46Å; V240-A245 PolarHBondContact O-N 3.14Å; V240-A245 VanDerWaalsContact O-N 3.1Å
241C91.8Very high89Confident13 Ų1345 Ų459%0.08825%0.252CS..Iπ-helixtrans-67.6-40.4178.8-67.80000112.8Y237 E238 I239 A245 G247 A248 T249Y237-C241 WeakPolarHBondContact O-CB 3.37Å; Y237-C241 PolarHBondContact O-N 3.43Å; Y237-C241 PolarHBondContact O-SG 3.49Å; E238-C241 PolarHBondContact O-N 3.29Å; I239-C241 VanDerWaalsContact C-N 3.33Å; I239-C241 PolarHBondContact O-N 3.43Å; C241-A245 CarbonylContact O-C 3.48Å; C241-A245 WeakPolarHBondContact O-CA 3.48Å; C241-A245 VanDerWaalsContact O-CB 3.31Å; C241-A245 WeakPolarHBondContact O-CB 3.2Å; C241-A245 PolarHBondContact O-N 3.11Å; C241-G247 PolarHBondContact O-N 2.78Å; C241-A248 PolarHBondContact O-N 2.82Å; C241-T249 HydrophobicContact CB-CG2 3.96Å
242I91.9Very high89.2Confident2 Ų242 Ų421%0.0124%0.241CC..Iπ-helixtrans-79.4-45.8-176.7-62.5-58.7000111.4E238 I239 G247 T249 V259 V281E238-I242 HydrophobicContact CG-CG1 4.01Å; E238-I242 WeakPolarHBondContact O-CB 3.49Å; E238-I242 VanDerWaalsContact O-CG1 3.22Å; E238-I242 WeakPolarHBondContact O-CG1 3.47Å; E238-I242 PolarHBondContact O-N 3.41Å; I239-I242 PolarHBondContact O-N 2.85Å; I242-G247 WeakPolarHBondContact O-CA 3.38Å; I242-G247 PolarHBondContact O-N 3.49Å; I242-T249 HydrophobicContact CD1-CG2 4.32Å; I242-V259 HydrophobicContact CD1-CB 4.12Å; I242-V259 HydrophobicContact CD1-CG2 3.64Å; I242-V259 HydrophobicContact CG2-CB 4.36Å; I242-V259 HydrophobicContact CG2-CG1 4.43Å; I242-V281 HydrophobicContact CG2-CB 3.76Å; I242-V281 HydrophobicContact CG2-CG1 3.79Å; I242-V281 HydrophobicContact CG2-CG2 3.82Å
243W91.9Very high89.5Confident141 Ų14144.2 Ų44.253%0.53425%0.249SC..Iπ-helixtrans-78-46.6179.8173.468.5000112.2I239 L283I239-W243 VanDerWaalsContact O-CB 3.28Å; I239-W243 WeakPolarHBondContact O-CB 3.34Å; I239-W243 PolarHBondContact O-N 3.13Å; W243-L283 HydrophobicContact CB-CD1 4.46Å; W243-L283 VanDerWaalsContact CD1-N 3.31Å; W243-L283 HydrophobicContact CD2-CB 4.4Å; W243-L283 HydrophobicContact CD2-CD1 3.88Å; W243-L283 HydrophobicContact CE3-CD1 4.06Å; W243-L283 HydrophobicContact CG-CB 4.25Å; W243-L283 HydrophobicContact CG-CD1 4.06Å
244G84.7Confident89.6Confident53 Ų5345.3 Ų45.355%0.54625%0.254SS..Iπ-helixtrans-92.5-40.6-172.100000114.8V240 G246V240-G244 CarbonylContact O-C 3.59Å; V240-G244 WeakPolarHBondContact O-CA 3.34Å; V240-G244 PolarHBondContact O-N 3.46Å; G244-G246 VanDerWaalsContact C-N 3.25Å; G244-G246 PolarHBondContact O-N 2.98Å
245A85.1Confident89.7Confident63 Ų6345.8 Ų45.852%0.52126%0.255SS..THydrogen-bonded Turntrans-90.728.8-175.600000113.7V240 C241V240-A245 PolarHBondContact O-N 3.14Å; V240-A245 VanDerWaalsContact O-N 3.1Å; C241-A245 CarbonylContact O-C 3.48Å; C241-A245 WeakPolarHBondContact O-CA 3.48Å; C241-A245 VanDerWaalsContact O-CB 3.31Å; C241-A245 WeakPolarHBondContact O-CB 3.2Å; C241-A245 PolarHBondContact O-N 3.11Å
246G81.9Confident89.7Confident32 Ų3246.9 Ų46.933%0.3327%0.266SS..THydrogen-bonded Turntrans76.326174.300000114.6G244 R258G244-G246 VanDerWaalsContact C-N 3.25Å; G244-G246 PolarHBondContact O-N 2.98Å; G246-R258 VanDerWaalsContact O-CZ 3.32Å; G246-R258 PolarHBondContact O-NE 2.81Å; G246-R258 PolarHBondContact O-NH2 3.45Å; G246-R258 VanDerWaalsContact O-NH2 3.07Å
247G87.8Confident89.7Confident2 Ų241.2 Ų41.22%0.02124%0.242CC..SBendtrans89.916.817000000114.8C241 I242 V259C241-G247 PolarHBondContact O-N 2.78Å; I242-G247 WeakPolarHBondContact O-CA 3.38Å; I242-G247 PolarHBondContact O-N 3.49Å; G247-V259 WeakPolarHBondContact O-CA 3.35Å; G247-V259 VanDerWaalsContact O-CB 3.31Å; G247-V259 WeakPolarHBondContact O-CB 3.29Å; G247-V259 WeakPolarHBondContact O-CG2 3.16Å; G247-V259 PolarHBondContact O-N 3.19Å
248A91.3Very high89.6Confident8 Ų841.2 Ų41.27%0.06624%0.241CC..  trans-141132.6179.900000111.3C241 K252 F253C241-A248 PolarHBondContact O-N 2.82Å; A248-K252 HydrophobicContact CB-CB 4.29Å; A248-F253 HydrophobicContact CB-CB 4.02Å
249T91.6Very high89.7Confident2 Ų241 Ų411%0.01224%0.24CC..  trans-68.5153.6160.449.10000109.4D175 Y237 E238 C241 I242 G251 K252 F253D175-T249 WeakPolarHBondContact OD1-CB 3.3Å; D175-T249 WeakPolarHBondContact OD2-CB 3.48Å; D175-T249 PolarHBondContact OD2-OG1 3.42Å; Y237-T249 HydrophobicContact CE1-CG2 4.49Å; E238-T249 HydrophobicContact CB-CG2 4.49Å; E238-T249 HydrophobicContact CG-CG2 3.99Å; C241-T249 HydrophobicContact CB-CG2 3.96Å; I242-T249 HydrophobicContact CD1-CG2 4.32Å; T249-G251 VanDerWaalsContact C-N 3.32Å; T249-G251 PolarHBondContact O-N 3.42Å; T249-K252 CarbonylContact O-C 3.53Å; T249-K252 WeakPolarHBondContact O-CA 3.44Å; T249-K252 WeakPolarHBondContact O-CB 3.19Å; T249-K252 PolarHBondContact O-N 2.86Å; T249-K252 VanDerWaalsContact OG1-CD 3.32Å; T249-K252 WeakPolarHBondContact OG1-CD 3.24Å; T249-K252 VanDerWaalsContact OG1-CG 3.24Å; T249-K252 WeakPolarHBondContact OG1-CG 3.4Å; T249-F253 WeakPolarHBondContact O-CB 2.94Å; T249-F253 PolarHBondContact O-N 3.23Å
250P90.3Very high89.6Confident46 Ų4640.1 Ų40.130%0.29924%0.236SC..Hα-helixtrans-48.4-45.4-178.7-3541000115.1I178 Y237 F253 L254I178-P250 HydrophobicContact CD1-CB 3.94Å; Y237-P250 HydrophobicContact CE2-CG 4.5Å; Y237-P250 WeakPolarHBondContact OH-CD 3.22Å; Y237-P250 WeakPolarHBondContact OH-CG 3.29Å; P250-F253 WeakPolarHBondContact O-CB 3.37Å; P250-F253 PolarHBondContact O-N 3.35Å; P250-L254 WeakPolarHBondContact O-CB 2.98Å; P250-L254 VanDerWaalsContact O-CG 3.23Å; P250-L254 WeakPolarHBondContact O-CG 2.93Å; P250-L254 PolarHBondContact O-N 2.96Å
251G89.6Confident89.4Confident0 Ų036.5 Ų36.50%021%0.214CC..Hα-helixtrans-63.5-42.6175.400000112.7D175 T249 F253 L254 I255D175-G251 VanDerWaalsContact CG-N 3.33Å; D175-G251 WeakPolarHBondContact OD1-CA 3.27Å; D175-G251 PolarHBondContact OD1-N 2.9Å; T249-G251 VanDerWaalsContact C-N 3.32Å; T249-G251 PolarHBondContact O-N 3.42Å; G251-F253 VanDerWaalsContact C-N 3.34Å; G251-F253 PolarHBondContact O-N 3.29Å; G251-L254 PolarHBondContact O-N 3.31Å; G251-I255 WeakPolarHBondContact O-CG1 3.45Å; G251-I255 PolarHBondContact O-N 2.93Å; G251-I255 VanDerWaalsContact O-N 3.1Å
252K90.2Very high89.2Confident10 Ų1035.9 Ų35.94%0.04321%0.21CC..Hα-helixtrans-62.7-41.6172-68.7-178.1-167.9-154.40111.9A171 D175 A248 T249 I255 G256 L257 V259A171-K252 HydrophobicContact CB-CB 4.47Å; A171-K252 HydrophobicContact CB-CG 3.83Å; D175-K252 PolarHBondContact OD2-N 2.92Å; A248-K252 HydrophobicContact CB-CB 4.29Å; T249-K252 CarbonylContact O-C 3.53Å; T249-K252 WeakPolarHBondContact O-CA 3.44Å; T249-K252 WeakPolarHBondContact O-CB 3.19Å; T249-K252 PolarHBondContact O-N 2.86Å; T249-K252 VanDerWaalsContact OG1-CD 3.32Å; T249-K252 WeakPolarHBondContact OG1-CD 3.24Å; T249-K252 VanDerWaalsContact OG1-CG 3.24Å; T249-K252 WeakPolarHBondContact OG1-CG 3.4Å; K252-I255 PolarHBondContact O-N 3.32Å; K252-G256 PolarHBondContact O-N 2.82Å; K252-G256 VanDerWaalsContact O-N 3.1Å; K252-L257 CarbonylContact C-O 3.55Å; K252-L257 HydrophobicContact CB-CB 4.14Å; K252-L257 WeakPolarHBondContact O-CA 3.47Å; K252-L257 PolarHBondContact O-N 2.84Å; K252-V259 HydrophobicContact CD-CG2 4.44Å
253F91.3Very high88.8Confident112 Ų11241.7 Ų41.749%0.49124%0.241SC..Hα-helixtrans-62.4-43.8176.9-179.1-88.6000111.5A248 T249 P250 G251 I255 G256A248-F253 HydrophobicContact CB-CB 4.02Å; T249-F253 WeakPolarHBondContact O-CB 2.94Å; T249-F253 PolarHBondContact O-N 3.23Å; P250-F253 WeakPolarHBondContact O-CB 3.37Å; P250-F253 PolarHBondContact O-N 3.35Å; G251-F253 VanDerWaalsContact C-N 3.34Å; G251-F253 PolarHBondContact O-N 3.29Å; F253-I255 VanDerWaalsContact C-N 3.34Å; F253-I255 PolarHBondContact O-N 2.91Å; F253-G256 PolarHBondContact O-N 3.01Å
254L89.6Confident88.1Confident121 Ų12137.9 Ų37.963%0.63424%0.236SC*.Hα-helixtrans-62.6-37.7178.3-73.7170.8000112.5V174 I178 P250 G251 G256V174-L254 HydrophobicContact CG1-CD1 3.7Å; I178-L254 HydrophobicContact CD1-CD1 4.03Å; P250-L254 WeakPolarHBondContact O-CB 2.98Å; P250-L254 VanDerWaalsContact O-CG 3.23Å; P250-L254 WeakPolarHBondContact O-CG 2.93Å; P250-L254 PolarHBondContact O-N 2.96Å; G251-L254 PolarHBondContact O-N 3.31Å; L254-G256 PolarHBondContact O-N 3.19Å
255I89.1Confident87.7Confident56 Ų5636.7 Ų36.729%0.28722%0.219SC..Hα-helixtrans-81.4-4.4175.6-58.2-161.5000112.2Q167 M170 A171 G251 K252 F253 L257Q167-I255 HydrophobicContact CB-CG2 4.41Å; M170-I255 HydrophobicContact CB-CD1 3.42Å; M170-I255 VanDerWaalsContact CB-CD1 3.42Å; A171-I255 HydrophobicContact CB-CB 4.24Å; A171-I255 HydrophobicContact CB-CD1 3.82Å; A171-I255 HydrophobicContact CB-CG1 4.2Å; G251-I255 WeakPolarHBondContact O-CG1 3.45Å; G251-I255 PolarHBondContact O-N 2.93Å; G251-I255 VanDerWaalsContact O-N 3.1Å; K252-I255 PolarHBondContact O-N 3.32Å; F253-I255 VanDerWaalsContact C-N 3.34Å; F253-I255 PolarHBondContact O-N 2.91Å; I255-L257 HydrophobicContact CB-CG 4.31Å; I255-L257 HydrophobicContact CG2-CD1 4.2Å; I255-L257 HydrophobicContact CG2-CG 4.02Å
256G89Confident87.4Confident26 Ų2637.7 Ų37.727%0.26822%0.219SC..THydrogen-bonded Turntrans7630.5179.900000113.1K252 F253 L254 R328K252-G256 PolarHBondContact O-N 2.82Å; K252-G256 VanDerWaalsContact O-N 3.1Å; F253-G256 PolarHBondContact O-N 3.01Å; L254-G256 PolarHBondContact O-N 3.19Å; G256-R328 VanDerWaalsContact O-CB 3.29Å; G256-R328 WeakPolarHBondContact O-CB 3.26Å; G256-R328 PolarHBondContact O-N 2.76Å
257L90.4Very high86.9Confident5 Ų539.8 Ų39.83%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-100.9152.7174.4-53.4-174.9000110.6P163 R168 A171 K252 I255 V325 V326 K327P163-L257 HydrophobicContact CB-CD1 4.35Å; P163-L257 HydrophobicContact CB-CD2 3.54Å; P163-L257 HydrophobicContact CG-CD2 4.03Å; R168-L257 HydrophobicContact CG-CD1 4.38Å; A171-L257 HydrophobicContact CB-CD1 3.99Å; K252-L257 CarbonylContact C-O 3.55Å; K252-L257 HydrophobicContact CB-CB 4.14Å; K252-L257 WeakPolarHBondContact O-CA 3.47Å; K252-L257 PolarHBondContact O-N 2.84Å; I255-L257 HydrophobicContact CB-CG 4.31Å; I255-L257 HydrophobicContact CG2-CD1 4.2Å; I255-L257 HydrophobicContact CG2-CG 4.02Å; L257-V325 HydrophobicContact CB-CG1 4.09Å; L257-V325 HydrophobicContact CD1-CG1 4.31Å; L257-V326 WeakPolarHBondContact CA-O 3.46Å; L257-K327 HydrophobicContact CD2-CG 4.11Å
258R91Very high86.3Confident59 Ų5943.5 Ų43.522%0.22324%0.244CC..EExtended strand (participates in β ladder)trans-144.2147.1177.5-172.9-177.3-171.1-159.3-1.6109.9G246 V260 N280 V325 V326G246-R258 VanDerWaalsContact O-CZ 3.32Å; G246-R258 PolarHBondContact O-NE 2.81Å; G246-R258 PolarHBondContact O-NH2 3.45Å; G246-R258 VanDerWaalsContact O-NH2 3.07Å; R258-V260 HydrophobicContact CG-CG1 4.41Å; R258-N280 PolarHBondContact NH2-OD1 3.45Å; R258-V325 CarbonylContact O-C 3.58Å; R258-V325 WeakPolarHBondContact O-CA 3.35Å; R258-V326 HydrophobicContact CB-CG2 4.34Å; R258-V326 PolarHBondContact N-O 2.93Å; R258-V326 WeakPolarHBondContact O-CG2 3.34Å; R258-V326 PolarHBondContact O-N 2.7Å
259V91.3Very high85.5Confident0 Ų048.4 Ų48.40%027%0.265CS..EExtended strand (participates in β ladder)trans-98.2130.2171.4-171.10000108.4I242 G247 K252 V281 T323 I324 V325I242-V259 HydrophobicContact CD1-CB 4.12Å; I242-V259 HydrophobicContact CD1-CG2 3.64Å; I242-V259 HydrophobicContact CG2-CB 4.36Å; I242-V259 HydrophobicContact CG2-CG1 4.43Å; G247-V259 WeakPolarHBondContact O-CA 3.35Å; G247-V259 VanDerWaalsContact O-CB 3.31Å; G247-V259 WeakPolarHBondContact O-CB 3.29Å; G247-V259 WeakPolarHBondContact O-CG2 3.16Å; G247-V259 PolarHBondContact O-N 3.19Å; K252-V259 HydrophobicContact CD-CG2 4.44Å; V259-V281 HydrophobicContact CB-CG2 4.27Å; V259-V281 HydrophobicContact CG1-CG2 3.89Å; V259-V281 WeakPolarHBondContact O-CG2 3.09Å; V259-T323 HydrophobicContact CG1-CG2 4.14Å; V259-I324 WeakPolarHBondContact CA-O 3.4Å; V259-V325 HydrophobicContact CG2-CG2 4.29Å
260V90.1Very high84.5Confident0 Ų053.7 Ų53.70%030%0.3CS..EExtended strand (participates in β ladder)trans-127159.3174.9-63.20000109.3Y160 R258 V275 T323 I324 V326Y160-V260 HydrophobicContact CE2-CG2 4.34Å; R258-V260 HydrophobicContact CG-CG1 4.41Å; V260-V275 HydrophobicContact CG2-CG1 4.21Å; V260-T323 CarbonylContact O-C 3.24Å; V260-T323 VanDerWaalsContact O-CA 3.28Å; V260-T323 WeakPolarHBondContact O-CA 3.12Å; V260-T323 WeakPolarHBondContact O-CB 2.93Å; V260-I324 HydrophobicContact CG2-CG2 3.62Å; V260-I324 PolarHBondContact N-O 3.45Å; V260-I324 PolarHBondContact O-N 2.84Å; V260-V326 HydrophobicContact CG1-CG2 4Å; V260-V326 HydrophobicContact CG2-CG1 4.01Å; V260-V326 HydrophobicContact CG2-CG2 3.93Å
261T88.4Confident83.6Confident15 Ų1556.7 Ų56.79%0.09231%0.313CS..EExtended strand (participates in β ladder)trans-62.5149.9169.550.70000110.2V275 P277 T279 N280 G322T261-V275 WeakPolarHBondContact O-CG1 3.09Å; T261-P277 CarbonylContact C-O 3.31Å; T261-P277 VanDerWaalsContact C-O 3.24Å; T261-P277 PolarHBondContact OG1-O 3.4Å; T261-T279 PolarHBondContact N-O 3.4Å; T261-T279 VanDerWaalsContact N-O 3.14Å; T261-T279 PolarHBondContact OG1-N 2.83Å; T261-T279 VanDerWaalsContact OG1-N 3.16Å; T261-T279 PolarHBondContact OG1-O 3.3Å; T261-T279 PolarHBondContact OG1-OG1 3.04Å; T261-N280 WeakPolarHBondContact CG2-O 3.48Å; T261-G322 CarbonylContact C-O 3.57Å
262C85.9Confident83.2Confident0 Ų062.2 Ų62.20%033%0.334CS..  trans-161.2105.1-179.6178.30000110.4V275 R314 G322 I324C262-V275 HydrophobicContact CB-CG1 3.71Å; C262-R314 PolarHBondContact O-NH2 3.45Å; C262-G322 CarbonylContact C-O 3.46Å; C262-G322 PolarHBondContact N-O 3.28Å; C262-G322 CarbonylContact O-C 3.54Å; C262-G322 VanDerWaalsContact O-C 3.31Å; C262-I324 HydrophobicContact CB-CB 3.78Å; C262-I324 HydrophobicContact CB-CG2 3.43Å; C262-I324 VanDerWaalsContact CB-CG2 3.43Å
263D83.9Confident82.9Confident125 Ų12561.8 Ų61.867%0.66833%0.332SS*.SBendtrans-88.7-41.1172.3-59-23.9000109.8V276 P277D263-V276 PolarHBondContact N-O 3.05Å; D263-P277 VanDerWaalsContact CG-CD 3.48Å; D263-P277 WeakPolarHBondContact OD2-CD 3.19Å
264S76.9Confident82.4Confident60 Ų6059.2 Ų59.242%0.4232%0.323SS..EExtended strand (participates in β ladder)trans-133.2134.6176.7-1720000111V276S264-V276 PolarHBondContact N-O 3.32Å; S264-V276 PolarHBondContact O-N 3.35Å
265S78Confident82.1Confident29 Ų2953.4 Ų53.420%0.20329%0.293CS..EExtended strand (participates in β ladder)trans-126.2120.9172.758.70000109.6L274S265-L274 WeakPolarHBondContact CA-O 3.34Å
266V77.3Confident81.7Confident84 Ų8452.1 Ų52.151%0.50929%0.288SS..EExtended strand (participates in β ladder)trans-109.3131.9175.3-177.80000108.9V268 V273 L274V266-V268 PolarHBondContact O-N 3.44Å; V266-V273 CarbonylContact O-C 3.54Å; V266-V273 WeakPolarHBondContact O-CA 2.92Å; V266-L274 PolarHBondContact N-O 2.78Å; V266-L274 PolarHBondContact O-N 2.7Å
267L71.9Confident81.3Confident76 Ų7652.8 Ų52.840%0.39829%0.288SS..EExtended strand (participates in β ladder)trans-74.3112.8176.7-167.272.3000109.2I162 Q269 V273I162-L267 HydrophobicContact CD1-CD1 4.47Å; L267-Q269 WeakPolarHBondContact CD1-O 2.95Å; L267-Q269 WeakPolarHBondContact CG-O 3.27Å; L267-V273 HydrophobicContact CD1-CG1 3.8Å
268V75.4Confident80.9Confident80 Ų8052.8 Ų52.849%0.48529%0.288SS..EExtended strand (participates in β ladder)trans-89.9-35.4176.6-178.80000110.1V266 R272 L274V266-V268 PolarHBondContact O-N 3.44Å; V268-R272 PolarHBondContact N-O 3.07Å; V268-L274 HydrophobicContact CG2-CB 3.65Å
269Q74.1Confident80.7Confident110 Ų11053.7 Ų53.751%0.51430%0.3SS..EExtended strand (participates in β ladder)trans-147.6157.2179.7-155.5171.130.400108.9L267 N271 R272L267-Q269 WeakPolarHBondContact CD1-O 2.95Å; L267-Q269 WeakPolarHBondContact CG-O 3.27Å; Q269-N271 PolarHBondContact O-N 2.9Å; Q269-R272 HydrophobicContact CB-CB 3.96Å; Q269-R272 HydrophobicContact CB-CG 4.4Å; Q269-R272 PolarHBondContact N-O 3.13Å; Q269-R272 VanDerWaalsContact N-O 3.16Å; Q269-R272 PolarHBondContact O-N 3.34Å
270P70.5Confident80.5Confident114 Ų11458.8 Ų58.874%0.7433%0.328SS*.THydrogen-bonded Turntrans-44.1-24.2179.9-0.6-19.8000117.3
271N73Confident80.6Confident108 Ų10859 Ų5958%0.57833%0.329SS*.THydrogen-bonded Turntrans-128.111.8175.4-81.8-22.6000114.7S161 I162 Q269S161-N271 VanDerWaalsContact CA-O 3.26Å; S161-N271 WeakPolarHBondContact CA-O 3.18Å; S161-N271 PolarHBondContact OG-O 2.69Å; I162-N271 PolarHBondContact N-O 3.18Å; I162-N271 VanDerWaalsContact N-O 3.11Å; Q269-N271 PolarHBondContact O-N 2.9Å
272R80.3Confident80.7Confident116 Ų11660.8 Ų60.844%0.43834%0.342SS..EExtended strand (participates in β ladder)trans-126.7127.9180-66.3-176.8178.9-109.6-2111.2Y160 V268 Q269Y160-R272 CarbonylContact O-C 3.59Å; Y160-R272 VanDerWaalsContact O-CA 3.32Å; Y160-R272 WeakPolarHBondContact O-CA 3.03Å; V268-R272 PolarHBondContact N-O 3.07Å; Q269-R272 HydrophobicContact CB-CB 3.96Å; Q269-R272 HydrophobicContact CB-CG 4.4Å; Q269-R272 PolarHBondContact N-O 3.13Å; Q269-R272 VanDerWaalsContact N-O 3.16Å; Q269-R272 PolarHBondContact O-N 3.34Å
273V82.8Confident80.9Confident1 Ų164.8 Ų64.81%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-116.7136.7175-74.50000110.3E159 Y160 I162 V266 L267 V275 I324E159-V273 WeakPolarHBondContact CA-O 3.46Å; Y160-V273 PolarHBondContact N-O 3.4Å; Y160-V273 PolarHBondContact O-N 3.47Å; I162-V273 HydrophobicContact CD1-CB 4.29Å; I162-V273 HydrophobicContact CD1-CG1 3.32Å; I162-V273 HydrophobicContact CD1-CG2 4.03Å; I162-V273 HydrophobicContact CG1-CB 4.25Å; I162-V273 HydrophobicContact CG1-CG1 3.81Å; I162-V273 HydrophobicContact CG1-CG2 3.5Å; V266-V273 CarbonylContact O-C 3.54Å; V266-V273 WeakPolarHBondContact O-CA 2.92Å; L267-V273 HydrophobicContact CD1-CG1 3.8Å; V273-V275 HydrophobicContact CB-CG2 4.47Å; V273-V275 HydrophobicContact CG2-CG2 3.84Å; V273-I324 HydrophobicContact CG2-CD1 4.16Å
274L82.5Confident81.2Confident58 Ų5862.7 Ų62.730%0.30436%0.358SS..EExtended strand (participates in β ladder)trans-82113.2166.2-175.369.1000107.8E159 S265 V266 V268E159-L274 HydrophobicContact CG-CD1 4.03Å; S265-L274 WeakPolarHBondContact CA-O 3.34Å; V266-L274 PolarHBondContact N-O 2.78Å; V266-L274 PolarHBondContact O-N 2.7Å; V268-L274 HydrophobicContact CG2-CB 3.65Å
275V81.8Confident81.8Confident0 Ų060.6 Ų60.60%034%0.344CS..EExtended strand (participates in β ladder)trans-102.8126.9-177.21780000110G157 R158 Y160 V260 T261 C262 V273 A278 I324 V326G157-V275 VanDerWaalsContact CA-O 3.24Å; G157-V275 WeakPolarHBondContact CA-O 3.43Å; R158-V275 PolarHBondContact N-O 3.18Å; R158-V275 PolarHBondContact O-N 2.81Å; Y160-V275 HydrophobicContact CD2-CB 3.94Å; Y160-V275 HydrophobicContact CD2-CG2 3.83Å; Y160-V275 HydrophobicContact CE2-CB 4.28Å; V260-V275 HydrophobicContact CG2-CG1 4.21Å; T261-V275 WeakPolarHBondContact O-CG1 3.09Å; C262-V275 HydrophobicContact CB-CG1 3.71Å; V273-V275 HydrophobicContact CB-CG2 4.47Å; V273-V275 HydrophobicContact CG2-CG2 3.84Å; V275-A278 HydrophobicContact CG1-CB 4.47Å; V275-I324 HydrophobicContact CG1-CG2 3.79Å; V275-I324 HydrophobicContact CG2-CD1 4.29Å; V275-I324 HydrophobicContact CG2-CG2 3.97Å; V275-V326 HydrophobicContact CG2-CG1 4.46Å
276V81.4Confident82.4Confident28 Ų2859.2 Ų59.217%0.1734%0.335CS..EExtended strand (participates in β ladder)trans-131.2129.4177.4-175.80000109.5R155 D263 S264R155-V276 HydrophobicContact CB-CG1 3.9Å; R155-V276 HydrophobicContact CB-CG2 4.37Å; R155-V276 HydrophobicContact CG-CG1 4.23Å; D263-V276 PolarHBondContact N-O 3.05Å; S264-V276 PolarHBondContact N-O 3.32Å; S264-V276 PolarHBondContact O-N 3.35Å
277P80.1Confident83.1Confident41 Ų4157.3 Ų57.327%0.26632%0.323SS..THydrogen-bonded Turncis-81.2132.1-15.231.6-31.4000110.9T261 D263 T279T261-P277 CarbonylContact C-O 3.31Å; T261-P277 VanDerWaalsContact C-O 3.24Å; T261-P277 PolarHBondContact OG1-O 3.4Å; D263-P277 VanDerWaalsContact CG-CD 3.48Å; D263-P277 WeakPolarHBondContact OD2-CD 3.19Å; P277-T279 HydrophobicContact CB-CG2 4.5Å; P277-T279 PolarHBondContact O-N 3.31Å
278A82.6Confident84Confident4 Ų456.5 Ų56.53%0.03332%0.321CS..  trans-82.845.4-177.600000114.4R158 Y160 V275R158-A278 HydrophobicContact CB-CB 3.61Å; R158-A278 HydrophobicContact CG-CB 3.78Å; Y160-A278 HydrophobicContact CE2-CB 3.62Å; V275-A278 HydrophobicContact CG1-CB 4.47Å
279T86.5Confident84.7Confident78 Ų7852.7 Ų52.748%0.47930%0.298SS..  trans-97.3176.7-173.449.70000113.4T261 P277T261-T279 PolarHBondContact N-O 3.4Å; T261-T279 VanDerWaalsContact N-O 3.14Å; T261-T279 PolarHBondContact OG1-N 2.83Å; T261-T279 VanDerWaalsContact OG1-N 3.16Å; T261-T279 PolarHBondContact OG1-O 3.3Å; T261-T279 PolarHBondContact OG1-OG1 3.04Å; P277-T279 HydrophobicContact CB-CG2 4.5Å; P277-T279 PolarHBondContact O-N 3.31Å
280N87.9Confident85.4Confident108 Ų10847.5 Ų47.558%0.57827%0.274SS*.PPolyproline II helixtrans-63.8146172.9-63.5-38.7000110.2R258 T261R258-N280 PolarHBondContact NH2-OD1 3.45Å; T261-N280 WeakPolarHBondContact CG2-O 3.48Å
281V90.6Very high86.2Confident4 Ų445.3 Ų45.32%0.02426%0.255CS..PPolyproline II helixtrans-69.2131.5-178.8-172.40000109.8I242 V259 A285 T323I242-V281 HydrophobicContact CG2-CB 3.76Å; I242-V281 HydrophobicContact CG2-CG1 3.79Å; I242-V281 HydrophobicContact CG2-CG2 3.82Å; V259-V281 HydrophobicContact CB-CG2 4.27Å; V259-V281 HydrophobicContact CG1-CG2 3.89Å; V259-V281 WeakPolarHBondContact O-CG2 3.09Å; V281-A285 HydrophobicContact CG1-CB 3.78Å; V281-T323 HydrophobicContact CG1-CG2 3.85Å; V281-T323 HydrophobicContact CG2-CG2 4.3Å
282S90.9Very high86.7Confident53 Ų5342.9 Ų42.937%0.37124%0.243SC..PPolyproline II helixtrans-71.6159.8174.465.20000111.3S284 A285 S286S282-S284 VanDerWaalsContact C-N 3.34Å; S282-S284 PolarHBondContact O-N 2.87Å; S282-S284 PolarHBondContact OG-OG 3.18Å; S282-A285 PolarHBondContact O-N 2.9Å; S282-A285 VanDerWaalsContact OG-CB 3.25Å; S282-A285 WeakPolarHBondContact OG-CB 3.44Å; S282-A285 PolarHBondContact OG-N 3.03Å; S282-S286 WeakPolarHBondContact O-CB 3.39Å; S282-S286 PolarHBondContact O-N 3.49Å; S282-S286 PolarHBondContact O-OG 3.36Å
283L90.6Very high86.7Confident83 Ų8337.6 Ų37.644%0.43522%0.223SC..Hα-helixtrans-57.5-48.9179.2-178.265.1000110.8I239 W243 A285 S286 T287I239-L283 HydrophobicContact CG2-CD1 3.73Å; W243-L283 HydrophobicContact CB-CD1 4.46Å; W243-L283 VanDerWaalsContact CD1-N 3.31Å; W243-L283 HydrophobicContact CD2-CB 4.4Å; W243-L283 HydrophobicContact CD2-CD1 3.88Å; W243-L283 HydrophobicContact CE3-CD1 4.06Å; W243-L283 HydrophobicContact CG-CB 4.25Å; W243-L283 HydrophobicContact CG-CD1 4.06Å; L283-A285 PolarHBondContact O-N 2.93Å; L283-S286 PolarHBondContact O-N 3.34Å; L283-S286 PolarHBondContact O-OG 3.09Å; L283-T287 PolarHBondContact O-N 3.47Å; L283-T287 PolarHBondContact O-OG1 2.85Å
284S90.3Very high86.6Confident82 Ų8238 Ų3857%0.57323%0.225SC*.Hα-helixtrans-59-45.8178.7530000112.9S282 S286 T287 V288S282-S284 VanDerWaalsContact C-N 3.34Å; S282-S284 PolarHBondContact O-N 2.87Å; S282-S284 PolarHBondContact OG-OG 3.18Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.89Å; S284-T287 PolarHBondContact O-N 2.88Å; S284-V288 WeakPolarHBondContact O-CG2 3.32Å; S284-V288 PolarHBondContact O-N 3.43Å
285A89.1Confident86.2Confident15 Ų1538.5 Ų38.512%0.12423%0.225CC..Hα-helixtrans-62.8-41.6176.700000111.6V281 S282 L283 T287 R289 A321 T323V281-A285 HydrophobicContact CG1-CB 3.78Å; S282-A285 PolarHBondContact O-N 2.9Å; S282-A285 VanDerWaalsContact OG-CB 3.25Å; S282-A285 WeakPolarHBondContact OG-CB 3.44Å; S282-A285 PolarHBondContact OG-N 3.03Å; L283-A285 PolarHBondContact O-N 2.93Å; A285-T287 PolarHBondContact O-N 3.41Å; A285-R289 WeakPolarHBondContact O-CB 3.49Å; A285-R289 PolarHBondContact O-N 3.03Å; A285-A321 WeakPolarHBondContact CB-O 3.28Å; A285-T323 HydrophobicContact CB-CG2 4.3Å
286S91.4Very high85.6Confident1 Ų140.3 Ų40.31%0.00724%0.237CC..Hα-helixtrans-65.1-38176.876.90000112.5S282 L283 S284 A290S282-S286 WeakPolarHBondContact O-CB 3.39Å; S282-S286 PolarHBondContact O-N 3.49Å; S282-S286 PolarHBondContact O-OG 3.36Å; L283-S286 PolarHBondContact O-N 3.34Å; L283-S286 PolarHBondContact O-OG 3.09Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.89Å; S286-A290 VanDerWaalsContact O-CB 3.25Å; S286-A290 WeakPolarHBondContact O-CB 3.47Å; S286-A290 PolarHBondContact O-N 3.37Å
287T91.6Very high84.9Confident44 Ų4440 Ų4027%0.2724%0.235SC..Hα-helixtrans-65.7-52.6176.2-57.40000111.1I239 L283 S284 A285 R289 A290 L291I239-T287 HydrophobicContact CD1-CG2 4.03Å; L283-T287 PolarHBondContact O-N 3.47Å; L283-T287 PolarHBondContact O-OG1 2.85Å; S284-T287 PolarHBondContact O-N 2.88Å; A285-T287 PolarHBondContact O-N 3.41Å; T287-R289 PolarHBondContact O-N 2.86Å; T287-A290 PolarHBondContact O-N 2.96Å; T287-L291 HydrophobicContact CG2-CD1 3.87Å; T287-L291 HydrophobicContact CG2-CG 4.13Å; T287-L291 WeakPolarHBondContact O-CB 3.24Å; T287-L291 VanDerWaalsContact O-CG 3.28Å; T287-L291 WeakPolarHBondContact O-CG 3.38Å; T287-L291 PolarHBondContact O-N 3.28Å
288V90.4Very high84.1Confident58 Ų5840.2 Ų40.235%0.35224%0.24SC..Hα-helixtrans-56.6-43.3178171.80000110.7S284 N292 V320 A321S284-V288 WeakPolarHBondContact O-CG2 3.32Å; S284-V288 PolarHBondContact O-N 3.43Å; V288-N292 VanDerWaalsContact O-CB 3.27Å; V288-N292 WeakPolarHBondContact O-CB 3.48Å; V288-N292 VanDerWaalsContact O-CG 3.25Å; V288-N292 PolarHBondContact O-N 2.86Å; V288-N292 PolarHBondContact O-ND2 2.82Å; V288-V320 HydrophobicContact CG1-CG1 3.95Å; V288-A321 HydrophobicContact CB-CB 4.5Å; V288-A321 HydrophobicContact CG1-CB 4.24Å
289R89.9Confident82.9Confident1 Ų147.3 Ų47.30%0.00427%0.27CS..Hα-helixtrans-61.3-50.6176.8-169.9176.8174.2-73.8-27112.3E238 A285 T287 K293 D318 A321 T323E238-R289 IonicContact OE1-CZ 3.7Å; E238-R289 IonicContact OE1-NH1 2.84Å; E238-R289 PolarHBondContact OE1-NH1 2.66Å; E238-R289 IonicContact OE1-NH2 3.81Å; A285-R289 WeakPolarHBondContact O-CB 3.49Å; A285-R289 PolarHBondContact O-N 3.03Å; T287-R289 PolarHBondContact O-N 2.86Å; R289-K293 WeakPolarHBondContact O-CB 3.32Å; R289-K293 PolarHBondContact O-N 3.35Å; R289-D318 IonicContact CZ-OD1 3.6Å; R289-D318 IonicContact NE-OD1 2.84Å; R289-D318 PolarHBondContact NE-OD1 3.49Å; R289-D318 IonicContact NH2-OD1 3.44Å; R289-D318 PolarHBondContact NH2-OD1 3.26Å; R289-A321 HydrophobicContact CB-CB 3.57Å; R289-A321 HydrophobicContact CG-CB 4.17Å; R289-T323 WeakPolarHBondContact CD-OG1 3.24Å
290A88.7Confident81.3Confident0 Ų050 Ų500%028%0.275CS..Hα-helixtrans-66-43.3-177.500000111.7E238 I239 S286 T287 K293 N294E238-A290 HydrophobicContact CB-CB 4.03Å; E238-A290 HydrophobicContact CG-CB 4.08Å; I239-A290 HydrophobicContact CD1-CB 4.34Å; I239-A290 HydrophobicContact CG1-CB 3.68Å; S286-A290 VanDerWaalsContact O-CB 3.25Å; S286-A290 WeakPolarHBondContact O-CB 3.47Å; S286-A290 PolarHBondContact O-N 3.37Å; T287-A290 PolarHBondContact O-N 2.96Å; A290-K293 PolarHBondContact O-N 3.42Å; A290-N294 VanDerWaalsContact O-CB 3.24Å; A290-N294 WeakPolarHBondContact O-CB 3.45Å; A290-N294 PolarHBondContact O-N 3.06Å; A290-N294 PolarHBondContact O-ND2 3.29Å
291L87.4Confident79.6Confident68 Ų6852.7 Ų52.736%0.35628%0.282SS..Hα-helixtrans-64.1-51.7177.8-65.3-176.1000110.7C235 T287 K293 N294 F295C235-L291 HydrophobicContact CB-CD2 4.1Å; T287-L291 HydrophobicContact CG2-CD1 3.87Å; T287-L291 HydrophobicContact CG2-CG 4.13Å; T287-L291 WeakPolarHBondContact O-CB 3.24Å; T287-L291 VanDerWaalsContact O-CG 3.28Å; T287-L291 WeakPolarHBondContact O-CG 3.38Å; T287-L291 PolarHBondContact O-N 3.28Å; L291-K293 VanDerWaalsContact C-N 3.27Å; L291-K293 PolarHBondContact O-N 3.36Å; L291-N294 PolarHBondContact O-N 2.91Å; L291-F295 HydrophobicContact CB-CD2 4.18Å; L291-F295 HydrophobicContact CD2-CD2 4.33Å; L291-F295 HydrophobicContact CD2-CE2 3.95Å; L291-F295 VanDerWaalsContact O-CB 3.26Å; L291-F295 WeakPolarHBondContact O-CB 3.31Å; L291-F295 WeakPolarHBondContact O-CD2 3.21Å; L291-F295 PolarHBondContact O-N 3.23Å
292N83.8Confident77.9Confident58 Ų5856 Ų5631%0.3130%0.304SS..Hα-helixtrans-60.1-40.7-179.9-74.4-15.5000111.5V288 S296 V320V288-N292 VanDerWaalsContact O-CB 3.27Å; V288-N292 WeakPolarHBondContact O-CB 3.48Å; V288-N292 VanDerWaalsContact O-CG 3.25Å; V288-N292 PolarHBondContact O-N 2.86Å; V288-N292 PolarHBondContact O-ND2 2.82Å; N292-S296 WeakPolarHBondContact O-CB 3.2Å; N292-S296 PolarHBondContact O-N 2.98Å; N292-S296 PolarHBondContact O-OG 3.4Å; N292-V320 WeakPolarHBondContact ND2-CG1 3.34Å
293K80.4Confident76.1Confident5 Ų555.8 Ų55.82%0.02231%0.305CS..Hα-helixtrans-68.3-51.8179-174.1-178170.3-141.70111.6E172 E238 R289 A290 L291 I297 Y317E172-K293 WeakPolarHBondContact OE1-CE 3.46Å; E172-K293 IonicContact OE1-NZ 2.75Å; E172-K293 PolarHBondContact OE1-NZ 2.82Å; E172-K293 WeakPolarHBondContact OE2-CE 3.43Å; E172-K293 IonicContact OE2-NZ 2.99Å; E172-K293 PolarHBondContact OE2-NZ 2.85Å; E238-K293 VanDerWaalsContact OE1-CD 3.29Å; E238-K293 WeakPolarHBondContact OE1-CD 3.23Å; E238-K293 IonicContact OE1-NZ 3.39Å; E238-K293 PolarHBondContact OE1-NZ 3.38Å; E238-K293 IonicContact OE2-NZ 2.98Å; E238-K293 PolarHBondContact OE2-NZ 3.43Å; R289-K293 WeakPolarHBondContact O-CB 3.32Å; R289-K293 PolarHBondContact O-N 3.35Å; A290-K293 PolarHBondContact O-N 3.42Å; L291-K293 VanDerWaalsContact C-N 3.27Å; L291-K293 PolarHBondContact O-N 3.36Å; K293-I297 HydrophobicContact CG-CD1 4.04Å; K293-I297 WeakPolarHBondContact O-CB 3.27Å; K293-I297 VanDerWaalsContact O-CD1 3.31Å; K293-I297 WeakPolarHBondContact O-CD1 3.35Å; K293-I297 WeakPolarHBondContact O-CG1 3.43Å; K293-I297 PolarHBondContact O-N 2.92Å; K293-I297 VanDerWaalsContact O-N 3.15Å; K293-Y317 HydrophobicContact CB-CD2 4.4Å; K293-Y317 HydrophobicContact CB-CG 4.46Å; K293-Y317 HydrophobicContact CD-CE2 4.31Å; K293-Y317 HydrophobicContact CG-CE2 4.47Å
294N79.8Confident74.1Confident9 Ų958.3 Ų58.35%0.04831%0.313CS..Hα-helixtrans-75.3-31.5-173.8-73-64.8000113.6R231 V234 C235 E238 A290 L291 A298R231-N294 PolarHBondContact NH1-O 3.43Å; V234-N294 VanDerWaalsContact CG1-OD1 3.27Å; V234-N294 WeakPolarHBondContact CG1-OD1 3.33Å; C235-N294 WeakPolarHBondContact SG-CB 3.14Å; E238-N294 PolarHBondContact OE2-ND2 2.89Å; A290-N294 VanDerWaalsContact O-CB 3.24Å; A290-N294 WeakPolarHBondContact O-CB 3.45Å; A290-N294 PolarHBondContact O-N 3.06Å; A290-N294 PolarHBondContact O-ND2 3.29Å; L291-N294 PolarHBondContact O-N 2.91Å; N294-A298 PolarHBondContact O-N 2.85Å
295F75.9Confident72.5Confident68 Ų6856.3 Ų56.330%0.29830%0.296SS..Hα-helixtrans-76.2-40172.5-80.2-67.2000112.2L228 L291 I297 A298 F299L228-F295 HydrophobicContact CD1-CE1 3.76Å; L228-F295 HydrophobicContact CD1-CZ 4.15Å; L291-F295 HydrophobicContact CB-CD2 4.18Å; L291-F295 HydrophobicContact CD2-CD2 4.33Å; L291-F295 HydrophobicContact CD2-CE2 3.95Å; L291-F295 VanDerWaalsContact O-CB 3.26Å; L291-F295 WeakPolarHBondContact O-CB 3.31Å; L291-F295 WeakPolarHBondContact O-CD2 3.21Å; L291-F295 PolarHBondContact O-N 3.23Å; F295-I297 VanDerWaalsContact C-N 3.27Å; F295-I297 PolarHBondContact O-N 3.47Å; F295-A298 WeakPolarHBondContact O-CA 3.43Å; F295-A298 WeakPolarHBondContact O-CB 3.37Å; F295-A298 PolarHBondContact O-N 3.09Å; F295-F299 HydrophobicContact CB-CD2 4.5Å; F295-F299 AromaticContact CD1-CE2 3.81Å; F295-F299 HydrophobicContact CD1-CE2 3.81Å; F295-F299 VanDerWaalsContact O-CD2 3.22Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 PolarHBondContact O-N 3.38Å; F295-F299 VanDerWaalsContact O-N 3.12Å
296S67.6Low70.9Confident38 Ų3856.1 Ų56.127%0.26629%0.293SS..Hα-helixtrans-63.6-36177.5-55.20000111.7N292 A298 F299 F300N292-S296 WeakPolarHBondContact O-CB 3.2Å; N292-S296 PolarHBondContact O-N 2.98Å; N292-S296 PolarHBondContact O-OG 3.4Å; S296-A298 PolarHBondContact O-N 3.4Å; S296-F299 PolarHBondContact O-N 3.42Å; S296-F300 CarbonylContact O-C 3.21Å; S296-F300 WeakPolarHBondContact O-CA 3.32Å; S296-F300 WeakPolarHBondContact O-CB 3.42Å; S296-F300 PolarHBondContact O-N 3.02Å
297I66.5Low69.2Low22 Ų2258.5 Ų58.511%0.11331%0.306CS..Hα-helixtrans-65.8-25.6172.9-68.1168.1000112.2K293 F295 P302 T306K293-I297 HydrophobicContact CG-CD1 4.04Å; K293-I297 WeakPolarHBondContact O-CB 3.27Å; K293-I297 VanDerWaalsContact O-CD1 3.31Å; K293-I297 WeakPolarHBondContact O-CD1 3.35Å; K293-I297 WeakPolarHBondContact O-CG1 3.43Å; K293-I297 PolarHBondContact O-N 2.92Å; K293-I297 VanDerWaalsContact O-N 3.15Å; F295-I297 VanDerWaalsContact C-N 3.27Å; F295-I297 PolarHBondContact O-N 3.47Å; I297-P302 HydrophobicContact CG2-CB 3.71Å; I297-P302 HydrophobicContact CG2-CG 4.14Å; I297-T306 HydrophobicContact CD1-CG2 3.93Å; I297-T306 HydrophobicContact CG1-CG2 4.17Å
298A63.1Low67.6Low46 Ų4660.8 Ų60.838%0.3832%0.316SS..Hα-helixtrans-79.2-35178.400000112.6N294 F295 S296N294-A298 PolarHBondContact O-N 2.85Å; F295-A298 WeakPolarHBondContact O-CA 3.43Å; F295-A298 WeakPolarHBondContact O-CB 3.37Å; F295-A298 PolarHBondContact O-N 3.09Å; S296-A298 PolarHBondContact O-N 3.4Å
299F58.3Low66Low153 Ų15360.6 Ų60.667%0.67131%0.31SS*.Hα-helixtrans-103.4-21.9-174.3-66.3-69.2000114.3F295 S296F295-F299 HydrophobicContact CB-CD2 4.5Å; F295-F299 AromaticContact CD1-CE2 3.81Å; F295-F299 HydrophobicContact CD1-CE2 3.81Å; F295-F299 VanDerWaalsContact O-CD2 3.22Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 PolarHBondContact O-N 3.38Å; F295-F299 VanDerWaalsContact O-N 3.12Å; S296-F299 PolarHBondContact O-N 3.42Å
300F52.8Low64.4Low133 Ų13366.6 Ų66.658%0.58334%0.337SS*.SBendtrans-133.3117.8-178.5-59.5-86.2000108.5S296 I305S296-F300 CarbonylContact O-C 3.21Å; S296-F300 WeakPolarHBondContact O-CA 3.32Å; S296-F300 WeakPolarHBondContact O-CB 3.42Å; S296-F300 PolarHBondContact O-N 3.02Å; F300-I305 HydrophobicContact CB-CD1 3.36Å; F300-I305 HydrophobicContact CB-CG1 3.52Å; F300-I305 HydrophobicContact CG-CD1 4.03Å
301F52.7Low62.4Low165 Ų16574.3 Ų74.372%0.72437%0.372SS*.  trans-7.9114.2-178.4-108.4-98.8000116.8A303 F304F301-A303 VanDerWaalsContact C-N 3.28Å; F301-A303 PolarHBondContact O-N 2.83Å; F301-F304 PolarHBondContact O-N 3.34Å
302P55Low60.9Low73 Ų7375 Ų7547%0.47437%0.374SS..THydrogen-bonded Turntrans-49.6-32-166.7-34.435.4000118.2I297I297-P302 HydrophobicContact CG2-CB 3.71Å; I297-P302 HydrophobicContact CG2-CG 4.14Å
303A52.7Low59.9Low49 Ų4975 Ų7541%0.40537%0.373SS..THydrogen-bonded Turntrans-93.5-39.4-171.500000113.3F301 T306F301-A303 VanDerWaalsContact C-N 3.28Å; F301-A303 PolarHBondContact O-N 2.83Å; A303-T306 PolarHBondContact O-OG1 3.23Å
304F49Very low59.5Low137 Ų13776 Ų7660%0.60138%0.377SS*.THydrogen-bonded Turntrans-79.9-31.8-168.7-70.8-81.8000113.2F301 T306 L307 L308F301-F304 PolarHBondContact O-N 3.34Å; F304-T306 VanDerWaalsContact C-N 3.33Å; F304-T306 PolarHBondContact O-N 3.02Å; F304-L307 CarbonylContact O-C 3.43Å; F304-L307 PolarHBondContact O-N 3.37Å; F304-L307 VanDerWaalsContact O-N 3.1Å; F304-L308 PolarHBondContact O-N 3.03Å
305I56.1Low59.3Low39 Ų3975.5 Ų75.520%0.238%0.375CS..G310 helixtrans-68.9-32179.9-66.1-92000111.9F300 L307 L308F300-I305 HydrophobicContact CB-CD1 3.36Å; F300-I305 HydrophobicContact CB-CG1 3.52Å; F300-I305 HydrophobicContact CG-CD1 4.03Å; I305-L307 PolarHBondContact O-N 2.89Å; I305-L308 HydrophobicContact CD1-CD1 3.93Å; I305-L308 PolarHBondContact O-N 3.36Å
306T55.1Low59.2Low12 Ų1275.2 Ų75.27%0.07438%0.378CS..G310 helixtrans-64.4-21.3174.467.80000112.7I297 A303 F304 Y317I297-T306 HydrophobicContact CD1-CG2 3.93Å; I297-T306 HydrophobicContact CG1-CG2 4.17Å; A303-T306 PolarHBondContact O-OG1 3.23Å; F304-T306 VanDerWaalsContact C-N 3.33Å; F304-T306 PolarHBondContact O-N 3.02Å; T306-Y317 PolarHBondContact O-OH 3.14Å
307L57Low59.7Low51 Ų5174.3 Ų74.327%0.26737%0.369SS..G310 helixtrans-106.46.6-176.2-59.5176.5000113.5L169 F304 I305 F309L169-L307 HydrophobicContact CB-CD2 4.38Å; F304-L307 CarbonylContact O-C 3.43Å; F304-L307 PolarHBondContact O-N 3.37Å; F304-L307 VanDerWaalsContact O-N 3.1Å; I305-L307 PolarHBondContact O-N 2.89Å; L307-F309 HydrophobicContact CB-CD2 4.46Å; L307-F309 HydrophobicContact CB-CE2 3.82Å; L307-F309 HydrophobicContact CB-CZ 4.45Å; L307-F309 HydrophobicContact CD2-CE2 3.68Å; L307-F309 HydrophobicContact CD2-CZ 3.69Å; L307-F309 HydrophobicContact CG-CE2 4.37Å; L307-F309 WeakPolarHBondContact O-CD2 3.5Å; L307-F309 VanDerWaalsContact O-CE2 3.28Å; L307-F309 WeakPolarHBondContact O-CE2 3.28Å; L307-F309 PolarHBondContact O-N 3.32Å
308L58.1Low60.5Low92 Ų9273.3 Ų73.348%0.48236%0.364SS..  trans-71.483.8170-67.5179.8000108.9F304 I305F304-L308 PolarHBondContact O-N 3.03Å; I305-L308 HydrophobicContact CD1-CD1 3.93Å; I305-L308 PolarHBondContact O-N 3.36Å
309F57Low61.4Low54 Ų5475.9 Ų75.924%0.23737%0.369CS..EExtended strand (participates in β ladder)trans-79.5127.8175.8-60.9-73.8000109.5P165 L307 N313 T315P165-F309 HydrophobicContact CB-CD2 4.43Å; P165-F309 HydrophobicContact CB-CE1 4.4Å; P165-F309 HydrophobicContact CB-CE2 3.48Å; P165-F309 VanDerWaalsContact CB-CE2 3.48Å; P165-F309 HydrophobicContact CB-CZ 3.46Å; P165-F309 VanDerWaalsContact CB-CZ 3.46Å; P165-F309 HydrophobicContact CG-CD2 4.25Å; P165-F309 HydrophobicContact CG-CE1 4.32Å; P165-F309 HydrophobicContact CG-CE2 3.72Å; P165-F309 HydrophobicContact CG-CZ 3.77Å; L307-F309 HydrophobicContact CB-CD2 4.46Å; L307-F309 HydrophobicContact CB-CE2 3.82Å; L307-F309 HydrophobicContact CB-CZ 4.45Å; L307-F309 HydrophobicContact CD2-CE2 3.68Å; L307-F309 HydrophobicContact CD2-CZ 3.69Å; L307-F309 HydrophobicContact CG-CE2 4.37Å; L307-F309 WeakPolarHBondContact O-CD2 3.5Å; L307-F309 VanDerWaalsContact O-CE2 3.28Å; L307-F309 WeakPolarHBondContact O-CE2 3.28Å; L307-F309 PolarHBondContact O-N 3.32Å; F309-N313 HydrophobicContact CD1-CB 4.27Å; F309-T315 HydrophobicContact CD1-CG2 4.31Å; F309-T315 HydrophobicContact CE1-CG2 4.16Å
310F56Low62.6Low127 Ų12773.1 Ų73.156%0.55737%0.365SS*.EExtended strand (participates in β ladder)trans-99.7173.2158.2-80.3-87.3000109.7H312 N313 R314 V316F310-H312 PolarHBondContact O-N 3.49Å; F310-N313 PolarHBondContact O-N 3.29Å; F310-R314 PolarHBondContact N-O 3.02Å; F310-R314 PolarHBondContact O-N 2.68Å; F310-V316 HydrophobicContact CD2-CG2 3.54Å; F310-V316 HydrophobicContact CE2-CG2 3.57Å
311Q46.9Very low64.1Low161 Ų16167.2 Ų67.275%0.75234%0.34SS*.THydrogen-bonded Turntrans-28127-179-66.9-71.1-15.900112.8
312H55.1Low65.7Low84 Ų8460.3 Ų60.339%0.38932%0.316SS..THydrogen-bonded Turntrans72.128.6-176.9-43.5-64.6000117I162 F310 R314I162-H312 WeakPolarHBondContact CD1-O 3.5Å; F310-H312 PolarHBondContact O-N 3.49Å; H312-R314 PolarHBondContact O-N 3.39Å
313N63.6Low67.3Low56 Ų5656.8 Ų56.830%0.29929%0.293SS..THydrogen-bonded Turntrans54.437.9-179.5-73.3-16.7000111.5I162 R168 F309 F310I162-N313 HydrophobicContact CG2-CB 3.88Å; R168-N313 PolarHBondContact NH1-O 3.09Å; R168-N313 PolarHBondContact NH2-O 3.36Å; F309-N313 HydrophobicContact CD1-CB 4.27Å; F310-N313 PolarHBondContact O-N 3.29Å
314R71Confident69Low26 Ų2654.7 Ų54.710%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-98.6137.5171.1-165.7174.6179.2-170.13.9108.7C262 F310 H312 D318 M319 T323C262-R314 PolarHBondContact O-NH2 3.45Å; F310-R314 PolarHBondContact N-O 3.02Å; F310-R314 PolarHBondContact O-N 2.68Å; H312-R314 PolarHBondContact O-N 3.39Å; R314-D318 HydrophobicContact CG-CB 4.24Å; R314-D318 PolarHBondContact NH2-O 3.3Å; R314-M319 HydrophobicContact CB-CG 4.47Å; R314-M319 HydrophobicContact CG-CG 3.86Å; R314-T323 VanDerWaalsContact CZ-O 3.31Å; R314-T323 PolarHBondContact NE-O 3.3Å; R314-T323 PolarHBondContact NH2-O 2.77Å
315T76.4Confident70.9Confident0 Ų048.2 Ų48.20%025%0.247CC..EExtended strand (participates in β ladder)trans-85.6152.717971.10000109.9F309 Y317 D318 M319F309-T315 HydrophobicContact CD1-CG2 4.31Å; F309-T315 HydrophobicContact CE1-CG2 4.16Å; T315-Y317 VanDerWaalsContact C-N 3.31Å; T315-Y317 VanDerWaalsContact CB-CZ 3.44Å; T315-Y317 HydrophobicContact CG2-CE1 4.16Å; T315-Y317 HydrophobicContact CG2-CE2 4.27Å; T315-Y317 WeakPolarHBondContact CG2-OH 3.37Å; T315-Y317 PolarHBondContact O-N 3.47Å; T315-Y317 VanDerWaalsContact OG1-CD2 3.26Å; T315-Y317 WeakPolarHBondContact OG1-CD2 3.24Å; T315-Y317 WeakPolarHBondContact OG1-CE2 3.49Å; T315-D318 PolarHBondContact O-N 2.92Å; T315-D318 VanDerWaalsContact O-N 3.11Å; T315-D318 VanDerWaalsContact OG1-CB 3.28Å; T315-D318 WeakPolarHBondContact OG1-CB 3.41Å; T315-D318 PolarHBondContact OG1-N 3.34Å; T315-D318 PolarHBondContact OG1-OD2 2.95Å; T315-M319 PolarHBondContact O-N 3.11Å
316V73.4Confident72.5Confident61 Ų6146.4 Ų46.437%0.3724%0.238SC..Hα-helixtrans-58.2-43.2-177.8179.80000111.7F310 D318 M319 V320F310-V316 HydrophobicContact CD2-CG2 3.54Å; F310-V316 HydrophobicContact CE2-CG2 3.57Å; V316-D318 VanDerWaalsContact C-N 3.32Å; V316-D318 PolarHBondContact O-N 2.91Å; V316-M319 WeakPolarHBondContact O-CB 3.48Å; V316-M319 PolarHBondContact O-N 3.24Å; V316-M319 VanDerWaalsContact O-N 3.16Å; V316-V320 WeakPolarHBondContact O-CG2 3.44Å; V316-V320 PolarHBondContact O-N 3.18Å
317Y78.9Confident74.2Confident20 Ų2049.4 Ų49.48%0.07825%0.25CC..Hα-helixtrans-67.8-32.317950-94000112.3K293 T306 T315 A321K293-Y317 HydrophobicContact CB-CD2 4.4Å; K293-Y317 HydrophobicContact CB-CG 4.46Å; K293-Y317 HydrophobicContact CD-CE2 4.31Å; K293-Y317 HydrophobicContact CG-CE2 4.47Å; T306-Y317 PolarHBondContact O-OH 3.14Å; T315-Y317 VanDerWaalsContact C-N 3.31Å; T315-Y317 VanDerWaalsContact CB-CZ 3.44Å; T315-Y317 HydrophobicContact CG2-CE1 4.16Å; T315-Y317 HydrophobicContact CG2-CE2 4.27Å; T315-Y317 WeakPolarHBondContact CG2-OH 3.37Å; T315-Y317 PolarHBondContact O-N 3.47Å; T315-Y317 VanDerWaalsContact OG1-CD2 3.26Å; T315-Y317 WeakPolarHBondContact OG1-CD2 3.24Å; T315-Y317 WeakPolarHBondContact OG1-CE2 3.49Å; Y317-A321 WeakPolarHBondContact O-CB 3.28Å; Y317-A321 PolarHBondContact O-N 3.47Å
318D82.4Confident75.5Confident0 Ų053.5 Ų53.50%026%0.262CS..Hα-helixtrans-71-32.1173.1-68.4-33.5000111.4R289 R314 T315 V316 G322 T323R289-D318 IonicContact CZ-OD1 3.6Å; R289-D318 IonicContact NE-OD1 2.84Å; R289-D318 PolarHBondContact NE-OD1 3.49Å; R289-D318 IonicContact NH2-OD1 3.44Å; R289-D318 PolarHBondContact NH2-OD1 3.26Å; R314-D318 HydrophobicContact CG-CB 4.24Å; R314-D318 PolarHBondContact NH2-O 3.3Å; T315-D318 PolarHBondContact O-N 2.92Å; T315-D318 VanDerWaalsContact O-N 3.11Å; T315-D318 VanDerWaalsContact OG1-CB 3.28Å; T315-D318 WeakPolarHBondContact OG1-CB 3.41Å; T315-D318 PolarHBondContact OG1-N 3.34Å; T315-D318 PolarHBondContact OG1-OD2 2.95Å; V316-D318 VanDerWaalsContact C-N 3.32Å; V316-D318 PolarHBondContact O-N 2.91Å; D318-G322 PolarHBondContact O-N 3.34Å; D318-T323 CarbonylContact C-O 3.57Å; D318-T323 WeakPolarHBondContact CA-OG1 3.33Å; D318-T323 WeakPolarHBondContact CB-O 3.31Å; D318-T323 PolarHBondContact O-N 3.15Å; D318-T323 PolarHBondContact O-OG1 3Å; D318-T323 PolarHBondContact OD1-OG1 3.06Å
319M81.4Confident76.1Confident101 Ų10153.7 Ų53.750%0.49827%0.271SS..Hα-helixtrans-64.1-51.9171.9-75.7-174.665.800112R314 T315 V316 A321 G322R314-M319 HydrophobicContact CB-CG 4.47Å; R314-M319 HydrophobicContact CG-CG 3.86Å; T315-M319 PolarHBondContact O-N 3.11Å; V316-M319 WeakPolarHBondContact O-CB 3.48Å; V316-M319 PolarHBondContact O-N 3.24Å; V316-M319 VanDerWaalsContact O-N 3.16Å; M319-A321 VanDerWaalsContact C-N 3.26Å; M319-A321 PolarHBondContact O-N 3.27Å; M319-G322 PolarHBondContact O-N 3.24Å; M319-G322 VanDerWaalsContact O-N 3.08Å
320V83.4Confident76.2Confident94 Ų9462.3 Ų62.357%0.5730%0.301SS*.Hα-helixtrans-62.5-37.2-179.5177.40000111.2V288 N292 V316 G322V288-V320 HydrophobicContact CG1-CG1 3.95Å; N292-V320 WeakPolarHBondContact ND2-CG1 3.34Å; V316-V320 WeakPolarHBondContact O-CG2 3.44Å; V316-V320 PolarHBondContact O-N 3.18Å; V320-G322 VanDerWaalsContact C-N 3.28Å; V320-G322 PolarHBondContact O-N 3.4Å
321A84.3Confident75.9Confident9 Ų964.2 Ų64.27%0.07432%0.316CS..THydrogen-bonded Turntrans-79.3-4.9178.300000114.4A285 V288 R289 Y317 M319 T323A285-A321 WeakPolarHBondContact CB-O 3.28Å; V288-A321 HydrophobicContact CB-CB 4.5Å; V288-A321 HydrophobicContact CG1-CB 4.24Å; R289-A321 HydrophobicContact CB-CB 3.57Å; R289-A321 HydrophobicContact CG-CB 4.17Å; Y317-A321 WeakPolarHBondContact O-CB 3.28Å; Y317-A321 PolarHBondContact O-N 3.47Å; M319-A321 VanDerWaalsContact C-N 3.26Å; M319-A321 PolarHBondContact O-N 3.27Å; A321-T323 VanDerWaalsContact C-N 3.29Å; A321-T323 HydrophobicContact CB-CG2 4.21Å; A321-T323 PolarHBondContact O-N 3.06Å
322G86.4Confident75.4Confident20 Ų2071.1 Ų71.121%0.20634%0.335CS..THydrogen-bonded Turntrans62.637.2-174.600000112.5T261 C262 D318 M319 V320T261-G322 CarbonylContact C-O 3.57Å; C262-G322 CarbonylContact C-O 3.46Å; C262-G322 PolarHBondContact N-O 3.28Å; C262-G322 CarbonylContact O-C 3.54Å; C262-G322 VanDerWaalsContact O-C 3.31Å; D318-G322 PolarHBondContact O-N 3.34Å; M319-G322 PolarHBondContact O-N 3.24Å; M319-G322 VanDerWaalsContact O-N 3.08Å; V320-G322 VanDerWaalsContact C-N 3.28Å; V320-G322 PolarHBondContact O-N 3.4Å
323T89.3Confident76.4Confident0 Ų070.5 Ų70.50%033%0.332CS..EExtended strand (participates in β ladder)trans-126.1166.8-178.860.50000112.3V259 V260 V281 A285 R289 R314 D318 A321V259-T323 HydrophobicContact CG1-CG2 4.14Å; V260-T323 CarbonylContact O-C 3.24Å; V260-T323 VanDerWaalsContact O-CA 3.28Å; V260-T323 WeakPolarHBondContact O-CA 3.12Å; V260-T323 WeakPolarHBondContact O-CB 2.93Å; V281-T323 HydrophobicContact CG1-CG2 3.85Å; V281-T323 HydrophobicContact CG2-CG2 4.3Å; A285-T323 HydrophobicContact CB-CG2 4.3Å; R289-T323 WeakPolarHBondContact CD-OG1 3.24Å; R314-T323 VanDerWaalsContact CZ-O 3.31Å; R314-T323 PolarHBondContact NE-O 3.3Å; R314-T323 PolarHBondContact NH2-O 2.77Å; D318-T323 CarbonylContact C-O 3.57Å; D318-T323 WeakPolarHBondContact CA-OG1 3.33Å; D318-T323 WeakPolarHBondContact CB-O 3.31Å; D318-T323 PolarHBondContact O-N 3.15Å; D318-T323 PolarHBondContact O-OG1 3Å; D318-T323 PolarHBondContact OD1-OG1 3.06Å; A321-T323 VanDerWaalsContact C-N 3.29Å; A321-T323 HydrophobicContact CB-CG2 4.21Å; A321-T323 PolarHBondContact O-N 3.06Å
324I87.9Confident77.1Confident4 Ų471.3 Ų71.32%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-147.8143.1172.5-169.5170.4000110.5V259 V260 C262 V273 V275 V326V259-I324 WeakPolarHBondContact CA-O 3.4Å; V260-I324 HydrophobicContact CG2-CG2 3.62Å; V260-I324 PolarHBondContact N-O 3.45Å; V260-I324 PolarHBondContact O-N 2.84Å; C262-I324 HydrophobicContact CB-CB 3.78Å; C262-I324 HydrophobicContact CB-CG2 3.43Å; C262-I324 VanDerWaalsContact CB-CG2 3.43Å; V273-I324 HydrophobicContact CG2-CD1 4.16Å; V275-I324 HydrophobicContact CG1-CG2 3.79Å; V275-I324 HydrophobicContact CG2-CD1 4.29Å; V275-I324 HydrophobicContact CG2-CG2 3.97Å; I324-V326 HydrophobicContact CG2-CG1 4Å
325V89.8Confident77.4Confident2 Ų273.8 Ų73.81%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-88.4122.7172.9-169.70000109.6P163 L257 R258 V259P163-V325 WeakPolarHBondContact CD-O 3.44Å; P163-V325 HydrophobicContact CG-CB 4.4Å; P163-V325 HydrophobicContact CG-CG1 4.03Å; L257-V325 HydrophobicContact CB-CG1 4.09Å; L257-V325 HydrophobicContact CD1-CG1 4.31Å; R258-V325 CarbonylContact O-C 3.58Å; R258-V325 WeakPolarHBondContact O-CA 3.35Å; V259-V325 HydrophobicContact CG2-CG2 4.29Å
326V89.6Confident77.5Confident1 Ų178.1 Ų78.11%0.00637%0.367CS..EExtended strand (participates in β ladder)trans-122.3154-178.1-65.30000110.9Y160 L257 R258 V260 V275 I324Y160-V326 VanDerWaalsContact CB-CG1 3.42Å; Y160-V326 HydrophobicContact CD1-CB 3.75Å; Y160-V326 HydrophobicContact CD1-CG1 4.13Å; Y160-V326 HydrophobicContact CD1-CG2 3.79Å; Y160-V326 HydrophobicContact CD2-CB 4.34Å; Y160-V326 HydrophobicContact CD2-CG1 3.81Å; Y160-V326 HydrophobicContact CE1-CB 4.48Å; Y160-V326 HydrophobicContact CE1-CG2 4.02Å; Y160-V326 HydrophobicContact CG-CB 3.67Å; Y160-V326 HydrophobicContact CG-CG1 3.53Å; Y160-V326 HydrophobicContact CG-CG2 4.05Å; L257-V326 WeakPolarHBondContact CA-O 3.46Å; R258-V326 HydrophobicContact CB-CG2 4.34Å; R258-V326 PolarHBondContact N-O 2.93Å; R258-V326 WeakPolarHBondContact O-CG2 3.34Å; R258-V326 PolarHBondContact O-N 2.7Å; V260-V326 HydrophobicContact CG1-CG2 4Å; V260-V326 HydrophobicContact CG2-CG1 4.01Å; V260-V326 HydrophobicContact CG2-CG2 3.93Å; V275-V326 HydrophobicContact CG2-CG1 4.46Å; I324-V326 HydrophobicContact CG2-CG1 4Å
327K89.3Confident77.7Confident75 Ų7579.2 Ų79.233%0.32637%0.367SS..EExtended strand (participates in β ladder)trans-70.3136.9167-69.8-176.5-176.6166.30110S161 P163 L257 S329S161-K327 PolarHBondContact O-N 3.11Å; S161-K327 VanDerWaalsContact O-N 3.08Å; P163-K327 HydrophobicContact CB-CG 4.16Å; L257-K327 HydrophobicContact CD2-CG 4.11Å; K327-S329 PolarHBondContact O-N 3.18Å
328R85.1Confident77.6Confident137 Ų13783.1 Ų83.152%0.51739%0.387SS..  trans-67.3122.8171.9-165.4176.6-165.51734.6108.5G256 R330G256-R328 VanDerWaalsContact O-CB 3.29Å; G256-R328 WeakPolarHBondContact O-CB 3.26Å; G256-R328 PolarHBondContact O-N 2.76Å; R328-R330 PolarHBondContact O-N 3.42Å; R328-R330 VanDerWaalsContact O-N 3.16Å
329S70.9Confident77.3Confident96 Ų9689.1 Ų89.167%0.67141%0.414SS*.  trans-65.9114.7169-166.10000107.4K327 I331K327-S329 PolarHBondContact O-N 3.18Å; S329-I331 PolarHBondContact O-N 3.13Å
330R59Low77Confident234 Ų23488.2 Ų88.288%0.88341%0.408SS*.  trans-67106.5169.8-69.9-164-171.1-167.34.1105.9R328 R332R328-R330 PolarHBondContact O-N 3.42Å; R328-R330 VanDerWaalsContact O-N 3.16Å; R330-R332 PolarHBondContact O-N 3.4Å; R330-R332 VanDerWaalsContact O-N 3.13Å
331I50.3Low76.4Confident167 Ų16787.7 Ų87.786%0.85639%0.394SS*.  trans-61.1115.6163.9-62.1169.2000104.4S329S329-I331 PolarHBondContact O-N 3.13Å
332R35.5Very low75.7Confident307 Ų30794.8 Ų94.8100%1.15842%0.423SS*.  trans-91.80-177.8-149.4-177.3-154.2172.94.5109.3R330R330-R332 PolarHBondContact O-N 3.4Å; R330-R332 VanDerWaalsContact O-N 3.13Å

Retrieved 332 of 332 residues in 120.9 ms (Link to these results)