A0A096LRD0_POEFO Loading...

Growth differentiation factor 2

AlphaFold DB , UniProt , Accession A0A096LRD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 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
1M33.7Very low44.6Very low239 Ų239129.2 Ų129.2100%1.17767%0.671SS**  098.20-75.3151.780.800107.5
2K30.8Very low45.2Very low216 Ų216125.2 Ų125.294%0.93966%0.661SS**  trans-87.8117.7177.8-79.5178.2173.4179.20107.5S4K2-S4 PolarHBondContact O-N 3.48Å
3I36.9Very low45.9Very low140 Ų140122.2 Ų122.272%0.71865%0.65SS**  trans-79.1115.8171.2-64.4165.1000105.8
4S39.9Very low46.3Very low68 Ų68118.6 Ų118.648%0.47664%0.635SS.*  trans-65.5133.7-177.9-173.40000110.2K2 T6 F7K2-S4 PolarHBondContact O-N 3.48Å; S4-T6 WeakPolarHBondContact CB-OG1 3.35Å; S4-T6 PolarHBondContact O-N 3.44Å; S4-T6 VanDerWaalsContact O-N 3.09Å; S4-T6 PolarHBondContact OG-OG1 3.23Å; S4-F7 VanDerWaalsContact O-CB 3.31Å; S4-F7 WeakPolarHBondContact O-CB 3.31Å; S4-F7 PolarHBondContact O-N 3.27Å
5G46Very low46.3Very low49 Ų49117.8 Ų117.851%0.50563%0.63SS.*Hα-helixtrans-57.7-23.3179.700000113.7F7 L8 L9G5-F7 VanDerWaalsContact C-N 3.25Å; G5-F7 PolarHBondContact O-N 3.16Å; G5-L8 PolarHBondContact O-N 2.82Å; G5-L9 PolarHBondContact O-N 3.31Å; G5-L9 VanDerWaalsContact O-N 3.15Å
6T50.2Low46.6Very low89 Ų89117.1 Ų117.155%0.54663%0.631SS.*Hα-helixtrans-59.7-32.9171.153.80000112.9S4 L9 Q10S4-T6 WeakPolarHBondContact CB-OG1 3.35Å; S4-T6 PolarHBondContact O-N 3.44Å; S4-T6 VanDerWaalsContact O-N 3.09Å; S4-T6 PolarHBondContact OG-OG1 3.23Å; T6-L9 PolarHBondContact O-N 3.32Å; T6-Q10 WeakPolarHBondContact O-CB 3.37Å; T6-Q10 PolarHBondContact O-N 3.47Å
7F47.9Very low46.7Very low141 Ų141116 Ų11662%0.61863%0.629SS**Hα-helixtrans-74.5-34.7-179.4-126.4-89.9000112.5S4 G5 M11S4-F7 VanDerWaalsContact O-CB 3.31Å; S4-F7 WeakPolarHBondContact O-CB 3.31Å; S4-F7 PolarHBondContact O-N 3.27Å; G5-F7 VanDerWaalsContact C-N 3.25Å; G5-F7 PolarHBondContact O-N 3.16Å; F7-M11 WeakPolarHBondContact O-CB 3.41Å; F7-M11 VanDerWaalsContact O-CG 3.31Å; F7-M11 WeakPolarHBondContact O-CG 3.42Å; F7-M11 PolarHBondContact O-N 3.17Å; F7-M11 VanDerWaalsContact O-N 3.13Å
8L51.3Low46.4Very low114 Ų114114.4 Ų114.460%0.59763%0.628SS**Hα-helixtrans-69.9-38.9173.4-94.2150.6000111.3G5 M11 C12G5-L8 PolarHBondContact O-N 2.82Å; L8-M11 PolarHBondContact O-N 2.97Å; L8-C12 PolarHBondContact O-N 3.08Å
9L51.8Low46.5Very low124 Ų124115.5 Ų115.565%0.64963%0.632SS**Hα-helixtrans-65.7-41.5176.2-125.7117.7000111.8G5 T6 M11 C12 V13G5-L9 PolarHBondContact O-N 3.31Å; G5-L9 VanDerWaalsContact O-N 3.15Å; T6-L9 PolarHBondContact O-N 3.32Å; L9-M11 PolarHBondContact O-N 2.79Å; L9-C12 PolarHBondContact O-N 3.12Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 3.49Å
10Q51Low46.5Very low133 Ų133114 Ų11462%0.62164%0.635SS**Hα-helixtrans-70.7-31.1179.5-155.3157.4-5.700112.5T6 T14T6-Q10 WeakPolarHBondContact O-CB 3.37Å; T6-Q10 PolarHBondContact O-N 3.47Å; Q10-T14 WeakPolarHBondContact O-CG2 3.31Å; Q10-T14 PolarHBondContact O-N 3.44Å; Q10-T14 PolarHBondContact O-OG1 3.01Å
11M51.5Low46.3Very low108 Ų108113.3 Ų113.353%0.53264%0.638SS.*Hα-helixtrans-70.3-36.6170.3-76.4-67.2-62.500112.7F7 L8 L9 T14 L15F7-M11 WeakPolarHBondContact O-CB 3.41Å; F7-M11 VanDerWaalsContact O-CG 3.31Å; F7-M11 WeakPolarHBondContact O-CG 3.42Å; F7-M11 PolarHBondContact O-N 3.17Å; F7-M11 VanDerWaalsContact O-N 3.13Å; L8-M11 PolarHBondContact O-N 2.97Å; L9-M11 PolarHBondContact O-N 2.79Å; M11-T14 WeakPolarHBondContact CA-OG1 3.47Å; M11-T14 PolarHBondContact O-OG1 3.34Å; M11-T14 VanDerWaalsContact O-OG1 3.08Å; M11-L15 WeakPolarHBondContact O-CB 3.42Å; M11-L15 PolarHBondContact O-N 2.89Å; M11-L15 VanDerWaalsContact O-N 3.12Å
12C51.9Low46.5Very low81 Ų81107.8 Ų107.855%0.54762%0.622SS.*Hα-helixtrans-69.3-41.9175.1-82.30000112.4L8 L9 T14 L15 V16L8-C12 PolarHBondContact O-N 3.08Å; L9-C12 PolarHBondContact O-N 3.12Å; C12-T14 VanDerWaalsContact C-N 3.34Å; C12-T14 PolarHBondContact O-N 3.13Å; C12-L15 PolarHBondContact O-N 3.48Å; C12-V16 WeakPolarHBondContact O-CG2 3.31Å; C12-V16 PolarHBondContact O-N 2.85Å; C12-V16 VanDerWaalsContact O-N 3.16Å
13V53.3Low47.2Very low86 Ų86104.1 Ų104.152%0.52162%0.617SS.*Hα-helixtrans-66.7-36.1178.8174.70000111.4L9 V17L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 3.49Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.49Å; V13-V17 PolarHBondContact O-N 3.02Å
14T52Low47Very low73 Ų73103.8 Ų103.845%0.44863%0.626SS.*Hα-helixtrans-73.6-29.217647.90000113.4Q10 M11 C12 S18Q10-T14 WeakPolarHBondContact O-CG2 3.31Å; Q10-T14 PolarHBondContact O-N 3.44Å; Q10-T14 PolarHBondContact O-OG1 3.01Å; M11-T14 WeakPolarHBondContact CA-OG1 3.47Å; M11-T14 PolarHBondContact O-OG1 3.34Å; M11-T14 VanDerWaalsContact O-OG1 3.08Å; C12-T14 VanDerWaalsContact C-N 3.34Å; C12-T14 PolarHBondContact O-N 3.13Å; T14-S18 PolarHBondContact O-N 3.46Å; T14-S18 PolarHBondContact O-OG 2.8Å
15L46.1Very low46.9Very low106 Ų106110.4 Ų110.456%0.55565%0.646SS**Hα-helixtrans-69.8-38.5174.1-126.6117.1000112.2M11 C12 S18 I19M11-L15 WeakPolarHBondContact O-CB 3.42Å; M11-L15 PolarHBondContact O-N 2.89Å; M11-L15 VanDerWaalsContact O-N 3.12Å; C12-L15 PolarHBondContact O-N 3.48Å; L15-S18 PolarHBondContact O-N 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å
16V51Low47.1Very low107 Ų107113.5 Ų113.565%0.64866%0.658SS**Hα-helixtrans-68.5-36.3177.4176.30000111.5C12 S18C12-V16 WeakPolarHBondContact O-CG2 3.31Å; C12-V16 PolarHBondContact O-N 2.85Å; C12-V16 VanDerWaalsContact O-N 3.16Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 3.49Å
17V48Very low46.2Very low98 Ų98117.5 Ų117.559%0.59468%0.675SS**Hα-helixtrans-69.8-27.1176.3174.80000112.2V13V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.49Å; V13-V17 PolarHBondContact O-N 3.02Å
18S41.9Very low46Very low88 Ų88115.7 Ų115.762%0.61568%0.679SS**Hα-helixtrans-79.4-19.6-178.2-59.10000114.1T14 L15 V16 A20T14-S18 PolarHBondContact O-N 3.46Å; T14-S18 PolarHBondContact O-OG 2.8Å; L15-S18 PolarHBondContact O-N 3.28Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 3.49Å; S18-A20 VanDerWaalsContact C-N 3.35Å
19I48.2Very low45.2Very low135 Ų135116.4 Ų116.469%0.69268%0.684SS**Hα-helixtrans-83.5-15.6178.2-54.9163.9000111.2L15 S21L15-I19 WeakPolarHBondContact O-CG1 3.32Å; I19-S21 PolarHBondContact O-N 3.26Å
20A47.3Very low44.6Very low85 Ų85118 Ų11870%0.70269%0.693SS**THydrogen-bonded Turntrans-85.1-0.2-179.100000114.9S18S18-A20 VanDerWaalsContact C-N 3.35Å
21S42.2Very low44Very low100 Ų100114.6 Ų114.670%0.69968%0.684SS**  trans-10741-176.8-620000113.9I19I19-S21 PolarHBondContact O-N 3.26Å
22C36.5Very low43.6Very low123 Ų123117.1 Ų117.183%0.83170%0.695SS**  trans-119.3107.5165-81.80000109.6
23T47.2Very low43.3Very low138 Ų138117.4 Ų117.485%0.84770%0.697SS**  trans-66.7125.2-179.449.30000112.5
24C32.8Very low43.1Very low133 Ų133120.2 Ų120.290%0.89971%0.705SS**  trans-151.8142.7146.1-91.50000110.3
25K37.6Very low43.1Very low207 Ų207121.3 Ų121.390%0.971%0.708SS**  trans-74.8171-167.8-100.1-179.9179.1171.20114.5
26P49.6Very low43.3Very low115 Ų115122.4 Ų122.475%0.74771%0.714SS**  trans-94.9150.2-139.237.3-35.1000114.1
27L31.9Very low43.4Very low172 Ų172123.4 Ų123.490%0.90171%0.711SS**  trans-142.3110.1158.1-100155.4000108.1
28S42.6Very low43.8Very low103 Ų103126.4 Ų126.472%0.7271%0.712SS**  trans19.6102.2149.3174.20000116.9
29N33.9Very low44.3Very low130 Ų130126.9 Ų126.970%0.69571%0.707SS**  -171.7117.9125.1-103.9-1.9000111.1S31N29-S31 PolarHBondContact O-N 3.15Å; N29-S31 VanDerWaalsContact O-N 3.08Å
30N39.6Very low44.5Very low156 Ų156128.7 Ų128.783%0.83471%0.705SS**THydrogen-bonded Turntrans-83.139.8-179.7-150.545.2000112
31S38.6Very low45Very low63 Ų63129.9 Ų129.944%0.44170%0.699SS.*THydrogen-bonded Turntrans-130.80.5-171.570.50000115.3N29N29-S31 PolarHBondContact O-N 3.15Å; N29-S31 VanDerWaalsContact O-N 3.08Å
32Q43.7Very low45.6Very low160 Ų160129.6 Ų129.675%0.74869%0.687SS**SBendtrans-102.5-17.3177.4-78.3-175.5-2000113.9
33S46.1Very low46.3Very low87 Ų87129.2 Ų129.261%0.60868%0.676SS**Hα-helixtrans-74.5-34.5178.5-170.70000112.1E37S33-E37 PolarHBondContact O-N 3.33Å
34E47.6Very low46.7Very low146 Ų146129.7 Ų129.768%0.68266%0.663SS**Hα-helixtrans-72.6-36.2179.9-66.8-174.2158.300111.6E37 R38E34-E37 PolarHBondContact O-N 3.09Å; E34-R38 WeakPolarHBondContact O-CB 3.43Å; E34-R38 PolarHBondContact O-N 3Å
35D53.5Low47.7Very low96 Ų96129.4 Ų129.451%0.51365%0.649SS.*Hα-helixtrans-68.5-34.2178.4-81.3-22.9000113L39D35-L39 WeakPolarHBondContact O-CB 3.39Å; D35-L39 WeakPolarHBondContact O-CG 2.9Å; D35-L39 PolarHBondContact O-N 3.32Å
36L49.1Very low48.3Very low128 Ų128124.4 Ų124.467%0.6763%0.632SS**Hα-helixtrans-75.7-36177.7-170.667.2000112.3R40L36-R40 WeakPolarHBondContact O-CB 3.42Å; L36-R40 PolarHBondContact O-N 2.93Å; L36-R40 VanDerWaalsContact O-N 3.11Å
37E53.9Low48.5Very low128 Ų128122.5 Ų122.560%0.59862%0.618SS**Hα-helixtrans-68.7-35.9170.4-82.3-149.2155.800112S33 E34 R40 L41S33-E37 PolarHBondContact O-N 3.33Å; E34-E37 PolarHBondContact O-N 3.09Å; E37-R40 PolarHBondContact O-N 2.88Å; E37-L41 WeakPolarHBondContact O-CB 3.3Å; E37-L41 WeakPolarHBondContact O-CG 3.31Å; E37-L41 PolarHBondContact O-N 3.31Å
38R55.3Low49.5Very low161 Ų161118.4 Ų118.461%0.60860%0.596SS**Hα-helixtrans-66.2-44.9177.2-161177.5-166.7161.95.3112.3E34 R40 L41 E42E34-R38 WeakPolarHBondContact O-CB 3.43Å; E34-R38 PolarHBondContact O-N 3Å; R38-R40 VanDerWaalsContact C-N 3.29Å; R38-R40 PolarHBondContact O-N 2.74Å; R38-L41 PolarHBondContact O-N 2.9Å; R38-E42 WeakPolarHBondContact O-CB 3.39Å; R38-E42 WeakPolarHBondContact O-CG 3.44Å; R38-E42 PolarHBondContact O-N 2.91Å
39L54.1Low50Low98 Ų98118 Ų11851%0.51358%0.583SS.*Hα-helixtrans-64-34.2173.2-78.5164.7000112.5D35 L43D35-L39 WeakPolarHBondContact O-CB 3.39Å; D35-L39 WeakPolarHBondContact O-CG 2.9Å; D35-L39 PolarHBondContact O-N 3.32Å; L39-L43 WeakPolarHBondContact O-CB 3.13Å; L39-L43 PolarHBondContact O-N 2.67Å
40R52.3Low51Low173 Ų173118.1 Ų118.165%0.65358%0.58SS**Hα-helixtrans-70.4-37.8174.7-178.6179.9171.5164.7-1.9112L36 E37 R38 Y44L36-R40 WeakPolarHBondContact O-CB 3.42Å; L36-R40 PolarHBondContact O-N 2.93Å; L36-R40 VanDerWaalsContact O-N 3.11Å; E37-R40 PolarHBondContact O-N 2.88Å; R38-R40 VanDerWaalsContact C-N 3.29Å; R38-R40 PolarHBondContact O-N 2.74Å; R40-Y44 WeakPolarHBondContact O-CB 3.37Å; R40-Y44 PolarHBondContact O-N 2.92Å
41L56.8Low51.8Low110 Ų110116 Ų11658%0.57657%0.565SS**Hα-helixtrans-68.5-43.6174.6-78.6163.1000110.8E37 R38 L43 Y44 E45E37-L41 WeakPolarHBondContact O-CB 3.3Å; E37-L41 WeakPolarHBondContact O-CG 3.31Å; E37-L41 PolarHBondContact O-N 3.31Å; R38-L41 PolarHBondContact O-N 2.9Å; L41-L43 PolarHBondContact O-N 2.94Å; L41-Y44 CarbonylContact O-C 3.6Å; L41-Y44 WeakPolarHBondContact O-CA 3.43Å; L41-Y44 WeakPolarHBondContact O-CB 3.14Å; L41-Y44 PolarHBondContact O-N 2.89Å; L41-E45 WeakPolarHBondContact O-CB 3.3Å; L41-E45 PolarHBondContact O-N 3.08Å
42E54.1Low52.6Low95 Ų95118 Ų11844%0.44457%0.57SS.*Hα-helixtrans-60.2-41.9173.5-76.4173.1-177.900111.7R38 Y44 E45 D46R38-E42 WeakPolarHBondContact O-CB 3.39Å; R38-E42 WeakPolarHBondContact O-CG 3.44Å; R38-E42 PolarHBondContact O-N 2.91Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.26Å; E42-E45 PolarHBondContact O-N 3.45Å; E42-D46 WeakPolarHBondContact O-CB 3.43Å; E42-D46 PolarHBondContact O-N 3.47Å
43L51.6Low53.3Low115 Ų115115.4 Ų115.460%0.60256%0.557SS**Hα-helixtrans-66.4-30.3172.8-96.1149.7000113.3L39 L41 V47L39-L43 WeakPolarHBondContact O-CB 3.13Å; L39-L43 PolarHBondContact O-N 2.67Å; L41-L43 PolarHBondContact O-N 2.94Å; L43-V47 WeakPolarHBondContact O-CB 3.15Å; L43-V47 WeakPolarHBondContact O-CG2 3.09Å; L43-V47 PolarHBondContact O-N 3.25Å
44Y56.8Low54.1Low148 Ų148117.7 Ų117.758%0.5856%0.558SS**Hα-helixtrans-75.7-38.2174.6-121.9-91.6000111.1R40 L41 E42 V47 L48R40-Y44 WeakPolarHBondContact O-CB 3.37Å; R40-Y44 PolarHBondContact O-N 2.92Å; L41-Y44 CarbonylContact O-C 3.6Å; L41-Y44 WeakPolarHBondContact O-CA 3.43Å; L41-Y44 WeakPolarHBondContact O-CB 3.14Å; L41-Y44 PolarHBondContact O-N 2.89Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.26Å; Y44-V47 PolarHBondContact O-N 2.89Å; Y44-L48 HydrophobicContact CD1-CD1 4.32Å; Y44-L48 WeakPolarHBondContact O-CB 3.35Å; Y44-L48 WeakPolarHBondContact O-CG 3.22Å; Y44-L48 PolarHBondContact O-N 3.09Å
45E52.6Low54.8Low127 Ų127113 Ų11359%0.59354%0.541SS*.Hα-helixtrans-68.6-42.3177.1-136.4165.7-172.500110.8L41 E42 V47 L48 E49L41-E45 WeakPolarHBondContact O-CB 3.3Å; L41-E45 PolarHBondContact O-N 3.08Å; E42-E45 PolarHBondContact O-N 3.45Å; E45-V47 PolarHBondContact O-N 3.44Å; E45-L48 PolarHBondContact O-N 3.36Å; E45-E49 WeakPolarHBondContact O-CB 3.41Å; E45-E49 WeakPolarHBondContact O-CG 3.21Å; E45-E49 PolarHBondContact O-N 2.98Å
46D50.3Low55.5Low101 Ų101115 Ų11554%0.5455%0.547SS..Hα-helixtrans-63.1-39173.1-91.1-7.3000112.2E42 E49 E50E42-D46 WeakPolarHBondContact O-CB 3.43Å; E42-D46 PolarHBondContact O-N 3.47Å; D46-E49 PolarHBondContact O-N 2.83Å; D46-E50 WeakPolarHBondContact O-CB 3.25Å; D46-E50 WeakPolarHBondContact O-CG 3.47Å; D46-E50 PolarHBondContact O-N 2.86Å
47V54.1Low56.3Low75 Ų75114.1 Ų114.146%0.45554%0.541SS..Hα-helixtrans-70.5-39.9176.8170.30000111.4L43 Y44 E45 E50 E51L43-V47 WeakPolarHBondContact O-CB 3.15Å; L43-V47 WeakPolarHBondContact O-CG2 3.09Å; L43-V47 PolarHBondContact O-N 3.25Å; Y44-V47 PolarHBondContact O-N 2.89Å; E45-V47 PolarHBondContact O-N 3.44Å; V47-E50 PolarHBondContact O-N 2.8Å; V47-E51 WeakPolarHBondContact O-CG 3.42Å; V47-E51 PolarHBondContact O-N 3.13Å
48L52.8Low57.1Low86 Ų86114.3 Ų114.345%0.4554%0.542SS..Hα-helixtrans-67.6-36.1174.6-71.2170.5000111.7Y44 E45 E51 D52Y44-L48 HydrophobicContact CD1-CD1 4.32Å; Y44-L48 WeakPolarHBondContact O-CB 3.35Å; Y44-L48 WeakPolarHBondContact O-CG 3.22Å; Y44-L48 PolarHBondContact O-N 3.09Å; E45-L48 PolarHBondContact O-N 3.36Å; L48-E51 PolarHBondContact O-N 3.01Å; L48-D52 VanDerWaalsContact O-CB 3.27Å; L48-D52 WeakPolarHBondContact O-CB 3.49Å; L48-D52 PolarHBondContact O-N 3.5Å
49E53.6Low57.7Low95 Ų95112.3 Ų112.344%0.44454%0.543SS..Hα-helixtrans-67-35.3172.5-81.6-161.1-173.500112.7E45 D46 K53E45-E49 WeakPolarHBondContact O-CB 3.41Å; E45-E49 WeakPolarHBondContact O-CG 3.21Å; E45-E49 PolarHBondContact O-N 2.98Å; D46-E49 PolarHBondContact O-N 2.83Å; E49-K53 WeakPolarHBondContact O-CB 3.49Å; E49-K53 VanDerWaalsContact O-CD 3.29Å; E49-K53 WeakPolarHBondContact O-CD 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.48Å; E49-K53 PolarHBondContact O-N 2.66Å; E49-K53 IonicContact OE2-NZ 2.74Å; E49-K53 PolarHBondContact OE2-NZ 3.18Å; E49-K53 VanDerWaalsContact OE2-NZ 3.11Å
50E55.4Low58.5Low133 Ų133112.9 Ų112.962%0.62154%0.542SS*.Hα-helixtrans-70.3-41.9174.2-70-90.1132.700111.1D46 V47 K53 E54D46-E50 WeakPolarHBondContact O-CB 3.25Å; D46-E50 WeakPolarHBondContact O-CG 3.47Å; D46-E50 PolarHBondContact O-N 2.86Å; V47-E50 PolarHBondContact O-N 2.8Å; E50-K53 PolarHBondContact O-N 2.87Å; E50-E54 WeakPolarHBondContact O-CB 3.44Å; E50-E54 PolarHBondContact O-N 3.34Å
51E54.8Low59.3Low112 Ų112108 Ų10852%0.52353%0.528SS..Hα-helixtrans-65.5-38.5173.6-74.9-178.1170.200112.3V47 L48 E54 S55V47-E51 WeakPolarHBondContact O-CG 3.42Å; V47-E51 PolarHBondContact O-N 3.13Å; L48-E51 PolarHBondContact O-N 3.01Å; E51-E54 PolarHBondContact O-N 2.87Å; E51-S55 WeakPolarHBondContact O-CB 3.48Å; E51-S55 PolarHBondContact O-N 3.18Å; E51-S55 PolarHBondContact O-OG 3.14Å
52D56.2Low59.9Low103 Ų103107.1 Ų107.155%0.55152%0.521SS*.Hα-helixtrans-67.9-34.3174-89.9-9000111.8L48 S55 Q56L48-D52 VanDerWaalsContact O-CB 3.27Å; L48-D52 WeakPolarHBondContact O-CB 3.49Å; L48-D52 PolarHBondContact O-N 3.5Å; D52-S55 WeakPolarHBondContact CA-OG 3.34Å; D52-S55 PolarHBondContact O-OG 3.04Å; D52-S55 VanDerWaalsContact O-OG 3.09Å; D52-Q56 VanDerWaalsContact O-CB 3.29Å; D52-Q56 WeakPolarHBondContact O-CB 3.38Å; D52-Q56 VanDerWaalsContact O-CG 3.31Å; D52-Q56 WeakPolarHBondContact O-CG 3.28Å; D52-Q56 PolarHBondContact O-N 3.3Å
53K59Low60.5Low106 Ų106105.7 Ų105.746%0.46152%0.522SS..Hα-helixtrans-71.4-37.4173.4-75.4164.2-163.6148.60111.7E49 E50 M57E49-K53 WeakPolarHBondContact O-CB 3.49Å; E49-K53 VanDerWaalsContact O-CD 3.29Å; E49-K53 WeakPolarHBondContact O-CD 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.48Å; E49-K53 PolarHBondContact O-N 2.66Å; E49-K53 IonicContact OE2-NZ 2.74Å; E49-K53 PolarHBondContact OE2-NZ 3.18Å; E49-K53 VanDerWaalsContact OE2-NZ 3.11Å; E50-K53 PolarHBondContact O-N 2.87Å; K53-M57 VanDerWaalsContact O-CB 3.32Å; K53-M57 WeakPolarHBondContact O-CB 3.13Å; K53-M57 PolarHBondContact O-N 2.95Å
54E61.7Low61.2Low136 Ų136105.1 Ų105.164%0.63652%0.517SS*.Hα-helixtrans-69.2-43.7178-165.3166.6-162.200111.2E50 E51 M57 E58E50-E54 WeakPolarHBondContact O-CB 3.44Å; E50-E54 PolarHBondContact O-N 3.34Å; E51-E54 PolarHBondContact O-N 2.87Å; E54-M57 WeakPolarHBondContact O-CB 3.06Å; E54-M57 PolarHBondContact O-N 3.15Å; E54-E58 PolarHBondContact O-N 3.49Å
55S62.5Low61.7Low48 Ų48100.3 Ų100.334%0.33650%0.5SS..Hα-helixtrans-66.6-40.4173.955.60000113.1E51 D52 M57 E58 D59E51-S55 WeakPolarHBondContact O-CB 3.48Å; E51-S55 PolarHBondContact O-N 3.18Å; E51-S55 PolarHBondContact O-OG 3.14Å; D52-S55 WeakPolarHBondContact CA-OG 3.34Å; D52-S55 PolarHBondContact O-OG 3.04Å; D52-S55 VanDerWaalsContact O-OG 3.09Å; S55-M57 VanDerWaalsContact C-N 3.29Å; S55-M57 PolarHBondContact O-N 2.96Å; S55-E58 PolarHBondContact O-N 3.06Å; S55-D59 PolarHBondContact O-N 3.04Å
56Q68.6Low62.5Low137 Ų13799.1 Ų99.164%0.6449%0.494SS*.Hα-helixtrans-62.6-35.6171.6-83-175.510.700112.7D52 F60D52-Q56 VanDerWaalsContact O-CB 3.29Å; D52-Q56 WeakPolarHBondContact O-CB 3.38Å; D52-Q56 VanDerWaalsContact O-CG 3.31Å; D52-Q56 WeakPolarHBondContact O-CG 3.28Å; D52-Q56 PolarHBondContact O-N 3.3Å; Q56-F60 WeakPolarHBondContact O-CB 3.36Å; Q56-F60 PolarHBondContact O-N 2.8Å
57M66.1Low63.2Low110 Ų11096 Ų9654%0.54249%0.485SS..Hα-helixtrans-67.5-43.8175.3-170.869.364.600110.8K53 E54 S55 F60 L61K53-M57 VanDerWaalsContact O-CB 3.32Å; K53-M57 WeakPolarHBondContact O-CB 3.13Å; K53-M57 PolarHBondContact O-N 2.95Å; E54-M57 WeakPolarHBondContact O-CB 3.06Å; E54-M57 PolarHBondContact O-N 3.15Å; S55-M57 VanDerWaalsContact C-N 3.29Å; S55-M57 PolarHBondContact O-N 2.96Å; M57-F60 PolarHBondContact O-N 2.75Å; M57-L61 HydrophobicContact CG-CD1 4.06Å; M57-L61 HydrophobicContact CG-CG 4.41Å; M57-L61 WeakPolarHBondContact O-CB 3.2Å; M57-L61 WeakPolarHBondContact O-CG 3.45Å; M57-L61 PolarHBondContact O-N 3.49Å
58E70.4Confident63.8Low132 Ų13293 Ų9362%0.61747%0.466SS*.Hα-helixtrans-60.8-47.7175.1-79.6-171.114700111.8E54 S55 F60 L61 E62E54-E58 PolarHBondContact O-N 3.49Å; S55-E58 PolarHBondContact O-N 3.06Å; E58-F60 VanDerWaalsContact C-N 3.31Å; E58-F60 PolarHBondContact O-N 3.21Å; E58-L61 PolarHBondContact O-N 2.98Å; E58-E62 WeakPolarHBondContact O-CB 3.38Å; E58-E62 PolarHBondContact O-N 2.91Å
59D68Low64.7Low118 Ų11889.2 Ų89.263%0.63145%0.446SS*.Hα-helixtrans-61.6-39.2176.8-77.4-16000111.9S55 E62 S63S55-D59 PolarHBondContact O-N 3.04Å; D59-E62 PolarHBondContact O-N 3.21Å; D59-S63 PolarHBondContact O-N 3.05Å
60F69.9Low65.6Low110 Ų11093.6 Ų93.648%0.48246%0.459SS..Hα-helixtrans-66.8-45.6176.6-178.3-103.4000112Q56 M57 E58 E62 S63 M64Q56-F60 WeakPolarHBondContact O-CB 3.36Å; Q56-F60 PolarHBondContact O-N 2.8Å; M57-F60 PolarHBondContact O-N 2.75Å; E58-F60 VanDerWaalsContact C-N 3.31Å; E58-F60 PolarHBondContact O-N 3.21Å; F60-E62 VanDerWaalsContact C-N 3.31Å; F60-E62 PolarHBondContact O-N 3.5Å; F60-S63 PolarHBondContact O-N 3.11Å; F60-S63 PolarHBondContact O-OG 2.99Å; F60-M64 HydrophobicContact CD1-CG 4.45Å; F60-M64 HydrophobicContact CD1-SD 4.18Å; F60-M64 HydrophobicContact CE1-CE 3.75Å; F60-M64 HydrophobicContact CE1-CG 4.04Å; F60-M64 HydrophobicContact CE1-SD 3.46Å; F60-M64 WeakPolarHBondContact CE1-SD 3.39Å; F60-M64 HydrophobicContact CZ-CE 3.6Å; F60-M64 HydrophobicContact CZ-CG 4.18Å; F60-M64 HydrophobicContact CZ-SD 3.88Å; F60-M64 PolarHBondContact O-N 2.87Å
61L69.3Low65.9Low71 Ų7190.9 Ų90.937%0.37245%0.446SS..Hα-helixtrans-63.1-37.6176.1-72.9173.4000111.6M57 E58 M64 K65 I327M57-L61 HydrophobicContact CG-CD1 4.06Å; M57-L61 HydrophobicContact CG-CG 4.41Å; M57-L61 WeakPolarHBondContact O-CB 3.2Å; M57-L61 WeakPolarHBondContact O-CG 3.45Å; M57-L61 PolarHBondContact O-N 3.49Å; E58-L61 PolarHBondContact O-N 2.98Å; L61-M64 PolarHBondContact O-N 2.82Å; L61-K65 WeakPolarHBondContact O-CB 3.11Å; L61-K65 PolarHBondContact O-N 2.75Å; L61-I327 HydrophobicContact CD2-CG2 4.46Å
62E70.8Confident66.4Low92 Ų9285.7 Ų85.743%0.4342%0.422SS..Hα-helixtrans-65.5-40.1174.4-162.768.8-156.800110.7E58 D59 F60 K65 E66E58-E62 WeakPolarHBondContact O-CB 3.38Å; E58-E62 PolarHBondContact O-N 2.91Å; D59-E62 PolarHBondContact O-N 3.21Å; F60-E62 VanDerWaalsContact C-N 3.31Å; F60-E62 PolarHBondContact O-N 3.5Å; E62-K65 WeakPolarHBondContact O-CB 3.35Å; E62-K65 PolarHBondContact O-N 3.29Å; E62-K65 IonicContact OE1-NZ 2.71Å; E62-K65 PolarHBondContact OE1-NZ 3.25Å; E62-K65 IonicContact OE2-NZ 2.88Å; E62-K65 PolarHBondContact OE2-NZ 3.01Å; E62-E66 PolarHBondContact O-N 3.3Å
63S66.3Low66.7Low65 Ų6585.7 Ų85.746%0.45542%0.422SS..Hα-helixtrans-66.5-38174.491.20000113.1D59 F60 E66 G67D59-S63 PolarHBondContact O-N 3.05Å; F60-S63 PolarHBondContact O-N 3.11Å; F60-S63 PolarHBondContact O-OG 2.99Å; S63-E66 PolarHBondContact O-N 3.45Å; S63-G67 PolarHBondContact O-N 3.43Å
64M65.2Low67Low102 Ų10281.3 Ų81.350%0.50240%0.403SS..Hα-helixtrans-67.5-39.8175.4-80.6-164.6143.900111.2F60 L61 G67 F68F60-M64 HydrophobicContact CD1-CG 4.45Å; F60-M64 HydrophobicContact CD1-SD 4.18Å; F60-M64 HydrophobicContact CE1-CE 3.75Å; F60-M64 HydrophobicContact CE1-CG 4.04Å; F60-M64 HydrophobicContact CE1-SD 3.46Å; F60-M64 WeakPolarHBondContact CE1-SD 3.39Å; F60-M64 HydrophobicContact CZ-CE 3.6Å; F60-M64 HydrophobicContact CZ-CG 4.18Å; F60-M64 HydrophobicContact CZ-SD 3.88Å; F60-M64 PolarHBondContact O-N 2.87Å; L61-M64 PolarHBondContact O-N 2.82Å; M64-G67 PolarHBondContact O-N 3.18Å; M64-F68 WeakPolarHBondContact O-CB 3.47Å; M64-F68 PolarHBondContact O-N 2.83Å
65K67.9Low66.9Low48 Ų4881.1 Ų81.121%0.20942%0.417CS..Hα-helixtrans-59.8-45171.9174.8-170.5173.2-158.30111L61 E62 G67 F68 L69 V77 W329L61-K65 WeakPolarHBondContact O-CB 3.11Å; L61-K65 PolarHBondContact O-N 2.75Å; E62-K65 WeakPolarHBondContact O-CB 3.35Å; E62-K65 PolarHBondContact O-N 3.29Å; E62-K65 IonicContact OE1-NZ 2.71Å; E62-K65 PolarHBondContact OE1-NZ 3.25Å; E62-K65 IonicContact OE2-NZ 2.88Å; E62-K65 PolarHBondContact OE2-NZ 3.01Å; K65-G67 PolarHBondContact O-N 2.82Å; K65-F68 PolarHBondContact O-N 2.8Å; K65-L69 HydrophobicContact CG-CD1 4.24Å; K65-L69 WeakPolarHBondContact O-CB 3.24Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.37Å; K65-V77 HydrophobicContact CD-CG2 4.09Å; K65-V77 HydrophobicContact CG-CG2 3.91Å; K65-W329 VanDerWaalsContact CA-CZ2 3.5Å; K65-W329 HydrophobicContact CB-CZ2 3.79Å; K65-W329 HydrophobicContact CG-CZ2 4.36Å
66E70Confident67.1Low102 Ų10281.6 Ų81.648%0.47742%0.424SS..Hα-helixtrans-60.3-42.9172.8-74.4-170.3-179.500112.9E62 S63 F68 L69 R70E62-E66 PolarHBondContact O-N 3.3Å; S63-E66 PolarHBondContact O-N 3.45Å; E66-F68 VanDerWaalsContact C-N 3.34Å; E66-F68 PolarHBondContact O-N 3.06Å; E66-L69 PolarHBondContact O-N 3.23Å; E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 2.9Å
67G63.9Low66.9Low34 Ų3476.6 Ų76.635%0.35140%0.403SS..Hα-helixtrans-60.1-44.717600000112.4S63 M64 K65 R70 Q71S63-G67 PolarHBondContact O-N 3.43Å; M64-G67 PolarHBondContact O-N 3.18Å; K65-G67 PolarHBondContact O-N 2.82Å; G67-R70 PolarHBondContact O-N 2.86Å; G67-Q71 PolarHBondContact O-N 2.83Å
68F66.8Low66.7Low12 Ų1272.3 Ų72.35%0.05338%0.383CS..Hα-helixtrans-63-45.8176.4-172.2-76.4000112M64 K65 E66 R70 Q71 L72 W329 W332 I333 Y405 M408M64-F68 WeakPolarHBondContact O-CB 3.47Å; M64-F68 PolarHBondContact O-N 2.83Å; K65-F68 PolarHBondContact O-N 2.8Å; E66-F68 VanDerWaalsContact C-N 3.34Å; E66-F68 PolarHBondContact O-N 3.06Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.83Å; F68-Q71 PolarHBondContact O-N 2.99Å; F68-Q71 VanDerWaalsContact O-N 3.16Å; F68-L72 HydrophobicContact CD1-CD1 4.11Å; F68-L72 HydrophobicContact CD1-CG 4.27Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE1-CG 3.69Å; F68-L72 HydrophobicContact CZ-CD1 4.28Å; F68-L72 HydrophobicContact CZ-CG 4.48Å; F68-L72 PolarHBondContact O-N 2.91Å; F68-W329 HydrophobicContact CB-CH2 3.45Å; F68-W329 VanDerWaalsContact CB-CH2 3.45Å; F68-W329 HydrophobicContact CB-CZ2 4.19Å; F68-W329 HydrophobicContact CB-CZ3 3.95Å; F68-W329 HydrophobicContact CD1-CE3 4.41Å; F68-W329 HydrophobicContact CD1-CH2 4.23Å; F68-W329 AromaticContact CD1-CZ3 3.92Å; F68-W329 HydrophobicContact CD1-CZ3 3.92Å; F68-W329 HydrophobicContact CD2-CE3 4.18Å; F68-W329 AromaticContact CD2-CH2 3.5Å; F68-W329 HydrophobicContact CD2-CH2 3.5Å; F68-W329 AromaticContact CD2-CZ3 3.13Å; F68-W329 HydrophobicContact CD2-CZ3 3.13Å; F68-W329 HydrophobicContact CE1-CZ3 4.3Å; F68-W329 HydrophobicContact CE2-CE3 4.16Å; F68-W329 HydrophobicContact CE2-CH2 4.27Å; F68-W329 AromaticContact CE2-CZ3 3.44Å; F68-W329 HydrophobicContact CE2-CZ3 3.44Å; F68-W329 VanDerWaalsContact CE2-CZ3 3.44Å; F68-W329 HydrophobicContact CG-CE3 4.26Å; F68-W329 AromaticContact CG-CH2 3.44Å; F68-W329 HydrophobicContact CG-CH2 3.44Å; F68-W329 VanDerWaalsContact CG-CH2 3.44Å; F68-W329 HydrophobicContact CG-CZ2 4.41Å; F68-W329 AromaticContact CG-CZ3 3.36Å; F68-W329 HydrophobicContact CG-CZ3 3.36Å; F68-W329 HydrophobicContact CZ-CE3 4.4Å; F68-W329 HydrophobicContact CZ-CZ3 4.05Å; F68-W332 AromaticContact CD1-CH2 3.54Å; F68-W332 HydrophobicContact CD1-CH2 3.54Å; F68-W332 HydrophobicContact CD1-CZ2 4.09Å; F68-W332 HydrophobicContact CD1-CZ3 4.41Å; F68-W332 AromaticContact CE1-CH2 3.04Å; F68-W332 HydrophobicContact CE1-CH2 3.04Å; F68-W332 HydrophobicContact CE1-CZ2 4.01Å; F68-W332 AromaticContact CE1-CZ3 3.7Å; F68-W332 HydrophobicContact CE1-CZ3 3.7Å; F68-W332 AromaticContact CZ-CH2 3.72Å; F68-W332 HydrophobicContact CZ-CH2 3.72Å; F68-W332 HydrophobicContact CZ-CZ3 4.41Å; F68-I333 HydrophobicContact CZ-CD1 4.31Å; F68-Y405 WeakPolarHBondContact CD1-OH 3.44Å; F68-Y405 AromaticContact CD2-CE1 3.77Å; F68-Y405 HydrophobicContact CD2-CE1 3.77Å; F68-Y405 AromaticContact CD2-CZ 3.9Å; F68-Y405 WeakPolarHBondContact CD2-OH 3.46Å; F68-Y405 HydrophobicContact CE1-CE1 4.1Å; F68-Y405 AromaticContact CE1-CZ 3.8Å; F68-Y405 VanDerWaalsContact CE1-OH 3.29Å; F68-Y405 WeakPolarHBondContact CE1-OH 3.42Å; F68-Y405 HydrophobicContact CE2-CD1 4.12Å; F68-Y405 AromaticContact CE2-CE1 3.12Å; F68-Y405 HydrophobicContact CE2-CE1 3.12Å; F68-Y405 AromaticContact CE2-CZ 3.58Å; F68-Y405 VanDerWaalsContact CE2-OH 3.28Å; F68-Y405 WeakPolarHBondContact CE2-OH 3.44Å; F68-Y405 VanDerWaalsContact CG-OH 3.23Å; F68-Y405 WeakPolarHBondContact CG-OH 3.49Å; F68-Y405 HydrophobicContact CZ-CD1 4.13Å; F68-Y405 AromaticContact CZ-CE1 3.3Å; F68-Y405 HydrophobicContact CZ-CE1 3.3Å; F68-Y405 AromaticContact CZ-CZ 3.49Å; F68-Y405 VanDerWaalsContact CZ-CZ 3.49Å; F68-Y405 WeakPolarHBondContact CZ-OH 3.27Å; F68-Y405 PolarHBondContact O-OH 2.88Å; F68-M408 HydrophobicContact CE2-CE 3.93Å; F68-M408 HydrophobicContact CE2-SD 4.07Å
69L73.3Confident65.8Low8 Ų875.1 Ų75.14%0.04240%0.396CS..Hα-helixtrans-58.8-43.9176-71.8170.6000111K65 E66 Q71 L72 N73 L74 V77K65-L69 HydrophobicContact CG-CD1 4.24Å; K65-L69 WeakPolarHBondContact O-CB 3.24Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.37Å; E66-L69 PolarHBondContact O-N 3.23Å; L69-Q71 VanDerWaalsContact C-N 3.33Å; L69-Q71 PolarHBondContact O-N 3.24Å; L69-L72 CarbonylContact O-C 3.56Å; L69-L72 WeakPolarHBondContact O-CA 3.4Å; L69-L72 PolarHBondContact O-N 2.8Å; L69-L72 VanDerWaalsContact O-N 3.07Å; L69-N73 PolarHBondContact O-N 2.91Å; L69-L74 CarbonylContact C-O 3.49Å; L69-L74 HydrophobicContact CB-CB 4.16Å; L69-L74 WeakPolarHBondContact CB-O 3.36Å; L69-L74 HydrophobicContact CD2-CB 3.69Å; L69-L74 HydrophobicContact CD2-CD1 3.83Å; L69-L74 HydrophobicContact CD2-CG 4.42Å; L69-L74 PolarHBondContact O-N 3.43Å; L69-V77 HydrophobicContact CD1-CG2 4.07Å; L69-V77 HydrophobicContact CD2-CG2 3.93Å; L69-V77 HydrophobicContact CG-CG2 4.34Å
70R70.5Confident65.2Low186 Ų18672 Ų7270%0.70238%0.378SS*.Hα-helixtrans-60.8-39.6175.4-72.9176.8-171.9-169.77.9112.7E66 G67 F68 L72 N73E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 2.9Å; G67-R70 PolarHBondContact O-N 2.86Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.83Å; R70-L72 VanDerWaalsContact C-N 3.3Å; R70-L72 PolarHBondContact O-N 2.84Å; R70-N73 WeakPolarHBondContact O-CA 3.4Å; R70-N73 PolarHBondContact O-N 3.47Å
71Q63.7Low64.2Low76 Ų7675.1 Ų75.136%0.35540%0.4SS..Hα-helixtrans-66.5-32.2174.8-77.6179.4-2000112.2G67 F68 L69 N73 R402 Y405 E407G67-Q71 PolarHBondContact O-N 2.83Å; F68-Q71 PolarHBondContact O-N 2.99Å; F68-Q71 VanDerWaalsContact O-N 3.16Å; L69-Q71 VanDerWaalsContact C-N 3.33Å; L69-Q71 PolarHBondContact O-N 3.24Å; Q71-N73 PolarHBondContact O-N 3.46Å; Q71-R402 PolarHBondContact O-NH1 2.8Å; Q71-Y405 HydrophobicContact CB-CE2 3.87Å; Q71-Y405 WeakPolarHBondContact CB-OH 3.26Å; Q71-Y405 PolarHBondContact OE1-OH 2.85Å; Q71-E407 PolarHBondContact NE2-OE2 2.93Å
72L63.9Low63.6Low4 Ų481.7 Ų81.72%0.02142%0.42CS..THydrogen-bonded Turntrans-80-1.4169.3-73.9-170.2000114.4F68 L69 R70 L74 W332 Y393 Y405F68-L72 HydrophobicContact CD1-CD1 4.11Å; F68-L72 HydrophobicContact CD1-CG 4.27Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE1-CG 3.69Å; F68-L72 HydrophobicContact CZ-CD1 4.28Å; F68-L72 HydrophobicContact CZ-CG 4.48Å; F68-L72 PolarHBondContact O-N 2.91Å; L69-L72 CarbonylContact O-C 3.56Å; L69-L72 WeakPolarHBondContact O-CA 3.4Å; L69-L72 PolarHBondContact O-N 2.8Å; L69-L72 VanDerWaalsContact O-N 3.07Å; R70-L72 VanDerWaalsContact C-N 3.3Å; R70-L72 PolarHBondContact O-N 2.84Å; L72-L74 HydrophobicContact CB-CB 4.4Å; L72-L74 HydrophobicContact CB-CD1 3.77Å; L72-L74 HydrophobicContact CB-CG 3.77Å; L72-L74 HydrophobicContact CD1-CD1 3.63Å; L72-L74 HydrophobicContact CG-CD1 4.4Å; L72-L74 PolarHBondContact O-N 3.04Å; L72-W332 HydrophobicContact CD1-CE3 4.5Å; L72-W332 HydrophobicContact CD1-CH2 4.15Å; L72-W332 HydrophobicContact CD1-CZ3 3.55Å; L72-Y393 HydrophobicContact CD1-CD1 4.34Å; L72-Y393 HydrophobicContact CD1-CD2 3.99Å; L72-Y393 HydrophobicContact CD1-CE1 4.28Å; L72-Y393 HydrophobicContact CD1-CE2 3.91Å; L72-Y393 HydrophobicContact CD1-CG 4.21Å; L72-Y393 HydrophobicContact CD2-CD1 4.41Å; L72-Y393 HydrophobicContact CD2-CE1 3.79Å; L72-Y393 HydrophobicContact CD2-CE2 4.49Å; L72-Y405 HydrophobicContact CD2-CD2 3.5Å; L72-Y405 HydrophobicContact CD2-CE2 3.19Å; L72-Y405 HydrophobicContact CD2-CG 4.46Å; L72-Y405 HydrophobicContact CG-CD2 4.37Å; L72-Y405 HydrophobicContact CG-CE2 3.57Å
73N63.8Low63.2Low103 Ų10387.1 Ų87.155%0.55144%0.442SS*.THydrogen-bonded Turntrans56.328-171.4-140.43.3000113.8L69 R70 Q71 H138L69-N73 PolarHBondContact O-N 2.91Å; R70-N73 WeakPolarHBondContact O-CA 3.4Å; R70-N73 PolarHBondContact O-N 3.47Å; Q71-N73 PolarHBondContact O-N 3.46Å; N73-H138 PolarHBondContact ND2-CE1 2.86Å; N73-H138 PolarHBondContact ND2-NE2 2.85Å
74L64.8Low63.5Low13 Ų1386.1 Ų86.17%0.06843%0.431CS..  trans-90.5137.9171.8-63.8174.6000109.1L69 L72 Y393 E395L69-L74 CarbonylContact C-O 3.49Å; L69-L74 HydrophobicContact CB-CB 4.16Å; L69-L74 WeakPolarHBondContact CB-O 3.36Å; L69-L74 HydrophobicContact CD2-CB 3.69Å; L69-L74 HydrophobicContact CD2-CD1 3.83Å; L69-L74 HydrophobicContact CD2-CG 4.42Å; L69-L74 PolarHBondContact O-N 3.43Å; L72-L74 HydrophobicContact CB-CB 4.4Å; L72-L74 HydrophobicContact CB-CD1 3.77Å; L72-L74 HydrophobicContact CB-CG 3.77Å; L72-L74 HydrophobicContact CD1-CD1 3.63Å; L72-L74 HydrophobicContact CG-CD1 4.4Å; L72-L74 PolarHBondContact O-N 3.04Å; L74-Y393 HydrophobicContact CD1-CD2 4.43Å; L74-Y393 HydrophobicContact CD1-CE2 4.19Å; L74-E395 HydrophobicContact CD2-CB 4.13Å; L74-E395 HydrophobicContact CD2-CG 3.52Å; L74-E395 WeakPolarHBondContact CD2-OE1 3.42Å
75S60.2Low64.3Low133 Ų13385.3 Ų85.393%0.9344%0.435SS*.SBendtrans-86-19.1175.949.10000113.3
76A65.8Low65.1Low57 Ų5784.7 Ų84.747%0.47144%0.436SS..SBendtrans-158.1160.917700000110P78A76-P78 WeakPolarHBondContact O-CD 3.46Å
77V65.1Low65.9Low32 Ų3282.2 Ų82.219%0.19443%0.43CS..  trans-60.5124.2165.8167.90000107.6K65 L69 Q79 W332K65-V77 HydrophobicContact CD-CG2 4.09Å; K65-V77 HydrophobicContact CG-CG2 3.91Å; L69-V77 HydrophobicContact CD1-CG2 4.07Å; L69-V77 HydrophobicContact CD2-CG2 3.93Å; L69-V77 HydrophobicContact CG-CG2 4.34Å; V77-Q79 PolarHBondContact O-N 3.09Å; V77-W332 VanDerWaalsContact CG1-CD1 3.43Å; V77-W332 HydrophobicContact CG1-CG 4.04Å
78P61Low67Low21 Ų2187.7 Ų87.714%0.13645%0.446CS..  trans-59.4110.5177.1-24.936.2000110A76 E80A76-P78 WeakPolarHBondContact O-CD 3.46Å; P78-E80 HydrophobicContact CB-CG 4.34Å; P78-E80 PolarHBondContact O-N 2.91Å
79Q51.6Low67.9Low191 Ų19189.8 Ų89.889%0.89346%0.456SS*.  trans-76101.1167.8-74.7-158.8-3600107.7V77V77-Q79 PolarHBondContact O-N 3.09Å
80E54.7Low68.7Low53 Ų5389.4 Ų89.425%0.24845%0.454CS..  trans-108.9109.8177.2-71.8-173.2-178.800111.1P78 R82 K394 G397P78-E80 HydrophobicContact CB-CG 4.34Å; P78-E80 PolarHBondContact O-N 2.91Å; E80-R82 PolarHBondContact O-N 2.88Å; E80-K394 WeakPolarHBondContact OE2-CD 3.01Å; E80-G397 VanDerWaalsContact OE1-CA 3.22Å; E80-G397 WeakPolarHBondContact OE1-CA 3.37Å; E80-G397 PolarHBondContact OE1-N 3.46Å
81D50.3Low69.7Low175 Ų17583 Ų8394%0.93644%0.435SS*.  trans-75.4-8169.5-70.2-41.2000112.8
82R56.3Low71Confident209 Ų20984.4 Ų84.479%0.78944%0.442SS*.SBendtrans-106.1126.1178.9-67.6-173.4178.4-172-0.2110.4E80 I84E80-R82 PolarHBondContact O-N 2.88Å; R82-I84 VanDerWaalsContact C-N 3.33Å; R82-I84 PolarHBondContact O-N 2.71Å
83K61.9Low72.3Confident206 Ų20684.9 Ų84.990%0.89644%0.444SS*.  trans-74.784.5179-162.2-177.8-172.6-1750110
84I73.6Confident73.6Confident43 Ų4381.1 Ų81.122%0.22142%0.422CS..  trans-80.3125.7174.6-57.8176.5000108.7R82 K394 G397 I399R82-I84 VanDerWaalsContact C-N 3.33Å; R82-I84 PolarHBondContact O-N 2.71Å; I84-K394 WeakPolarHBondContact O-CE 3.4Å; I84-K394 PolarHBondContact O-NZ 3.45Å; I84-G397 VanDerWaalsContact CD1-O 3.24Å; I84-G397 WeakPolarHBondContact CD1-O 3.41Å; I84-I399 HydrophobicContact CG2-CD1 4.09Å; I84-I399 HydrophobicContact CG2-CG1 4.03Å
85S80.6Confident74.9Confident85 Ų8584.3 Ų84.359%0.59444%0.439SS*.  trans-106.6140.5173.843.30000110.2
86P85.5Confident76.3Confident36 Ų3684 Ų8423%0.23442%0.421CS..  trans-64.1138.8172.631.6-37.5000110.2M90 V91 V334 M392 I399P86-M90 HydrophobicContact CB-CB 4.42Å; P86-V91 HydrophobicContact CB-CG2 4.04Å; P86-V91 HydrophobicContact CG-CG2 3.92Å; P86-V334 HydrophobicContact CG-CG1 3.78Å; P86-M392 HydrophobicContact CB-CE 4.25Å; P86-M392 HydrophobicContact CB-SD 3.95Å; P86-M392 HydrophobicContact CG-CE 4.25Å; P86-I399 HydrophobicContact CB-CD1 4.33Å; P86-I399 HydrophobicContact CB-CG1 4.36Å; P86-I399 HydrophobicContact CB-CG2 4.25Å
87S86.5Confident77.2Confident49 Ų4983 Ų8334%0.34341%0.406SS..  trans-65.3156.8169.2680000110.2F89 M90 V91S87-F89 PolarHBondContact O-N 2.97Å; S87-M90 PolarHBondContact O-N 2.76Å; S87-M90 WeakPolarHBondContact OG-CG 3.44Å; S87-M90 PolarHBondContact OG-N 3.03Å; S87-V91 PolarHBondContact O-N 2.82Å; S87-V91 VanDerWaalsContact O-N 3.14Å
88Q86.1Confident78.2Confident149 Ų14983.1 Ų83.170%0.69641%0.408SS*.Hα-helixtrans-58.9-36.2178.6-175.6156.6-22.800112.2M90 V91 E92Q88-M90 PolarHBondContact O-N 2.92Å; Q88-V91 WeakPolarHBondContact O-CB 3.4Å; Q88-V91 PolarHBondContact O-N 3.46Å; Q88-E92 WeakPolarHBondContact O-CG 3.42Å; Q88-E92 PolarHBondContact O-N 3.06Å
89F87.1Confident79.1Confident57 Ų5786.8 Ų86.825%0.2543%0.434CS..Hα-helixtrans-59.2-44.5173.8-179.4-101.8000112.9S87 V91 E92 L93 Q147 I252S87-F89 PolarHBondContact O-N 2.97Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 PolarHBondContact O-N 2.99Å; F89-E92 PolarHBondContact O-N 3.35Å; F89-L93 HydrophobicContact CD1-CD1 3.81Å; F89-L93 HydrophobicContact CD1-CG 4.27Å; F89-L93 HydrophobicContact CE1-CD1 3.23Å; F89-L93 HydrophobicContact CE1-CD2 4.41Å; F89-L93 HydrophobicContact CE1-CG 3.85Å; F89-L93 HydrophobicContact CE2-CG 4.46Å; F89-L93 HydrophobicContact CZ-CD1 3.74Å; F89-L93 HydrophobicContact CZ-CD2 4.07Å; F89-L93 HydrophobicContact CZ-CG 3.95Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.48Å; F89-Q147 VanDerWaalsContact CE2-NE2 3.27Å; F89-I252 HydrophobicContact CD1-CD1 4.32Å; F89-I252 HydrophobicContact CD1-CG1 4.19Å; F89-I252 HydrophobicContact CE1-CD1 4.43Å; F89-I252 HydrophobicContact CE1-CG1 3.88Å; F89-I252 HydrophobicContact CE1-CG2 4.21Å
90M90.4Very high80.1Confident0 Ų082 Ų820%041%0.414CS..Hα-helixtrans-64.6-36.6176.9-72.4-63.2-75.400112P86 S87 Q88 L93 Y94 I110 I252 I399 I401P86-M90 HydrophobicContact CB-CB 4.42Å; S87-M90 PolarHBondContact O-N 2.76Å; S87-M90 WeakPolarHBondContact OG-CG 3.44Å; S87-M90 PolarHBondContact OG-N 3.03Å; Q88-M90 PolarHBondContact O-N 2.92Å; M90-L93 PolarHBondContact O-N 2.9Å; M90-L93 HydrophobicContact SD-CD1 4.1Å; M90-Y94 WeakPolarHBondContact O-CB 3.44Å; M90-Y94 PolarHBondContact O-N 3.28Å; M90-I110 HydrophobicContact CE-CG2 4.29Å; M90-I110 HydrophobicContact SD-CG2 4.32Å; M90-I252 HydrophobicContact SD-CD1 4.13Å; M90-I399 HydrophobicContact CB-CG2 4.47Å; M90-I399 HydrophobicContact CE-CB 4.39Å; M90-I399 HydrophobicContact CE-CG2 3.81Å; M90-I401 HydrophobicContact CE-CD1 3.56Å; M90-I401 HydrophobicContact CE-CG1 3.78Å; M90-I401 WeakPolarHBondContact O-CD1 3.35Å; M90-I401 HydrophobicContact SD-CD1 4.24Å
91V91.8Very high80.5Confident50 Ų5085 Ų8530%0.30342%0.423SS..Hα-helixtrans-65-42174.4176.80000111.2P86 S87 Q88 F89 Y94 N95P86-V91 HydrophobicContact CB-CG2 4.04Å; P86-V91 HydrophobicContact CG-CG2 3.92Å; S87-V91 PolarHBondContact O-N 2.82Å; S87-V91 VanDerWaalsContact O-N 3.14Å; Q88-V91 WeakPolarHBondContact O-CB 3.4Å; Q88-V91 PolarHBondContact O-N 3.46Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 PolarHBondContact O-N 2.99Å; V91-Y94 PolarHBondContact O-N 3.46Å; V91-N95 WeakPolarHBondContact O-CB 3.27Å; V91-N95 VanDerWaalsContact O-CG 3.31Å; V91-N95 PolarHBondContact O-N 2.81Å; V91-N95 PolarHBondContact O-ND2 2.85Å
92E90.9Very high80.9Confident107 Ų10782.5 Ų82.550%0.542%0.419SS..Hα-helixtrans-64.1-43.3176.4-73.5173.6-167.300112.1Q88 F89 N95 K96Q88-E92 WeakPolarHBondContact O-CG 3.42Å; Q88-E92 PolarHBondContact O-N 3.06Å; F89-E92 PolarHBondContact O-N 3.35Å; E92-N95 PolarHBondContact O-N 3.35Å; E92-K96 VanDerWaalsContact O-CB 3.3Å; E92-K96 WeakPolarHBondContact O-CB 3.39Å; E92-K96 PolarHBondContact O-N 2.79Å
93L90.1Very high80.9Confident14 Ų1475.6 Ų75.67%0.07341%0.407CS..Hα-helixtrans-58.6-49.8172.5-73.1178.4000111F89 M90 N95 K96 Y97 I110 I252 F254 I401F89-L93 HydrophobicContact CD1-CD1 3.81Å; F89-L93 HydrophobicContact CD1-CG 4.27Å; F89-L93 HydrophobicContact CE1-CD1 3.23Å; F89-L93 HydrophobicContact CE1-CD2 4.41Å; F89-L93 HydrophobicContact CE1-CG 3.85Å; F89-L93 HydrophobicContact CE2-CG 4.46Å; F89-L93 HydrophobicContact CZ-CD1 3.74Å; F89-L93 HydrophobicContact CZ-CD2 4.07Å; F89-L93 HydrophobicContact CZ-CG 3.95Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.48Å; M90-L93 PolarHBondContact O-N 2.9Å; M90-L93 HydrophobicContact SD-CD1 4.1Å; L93-N95 PolarHBondContact O-N 2.93Å; L93-K96 WeakPolarHBondContact O-CB 3.29Å; L93-K96 PolarHBondContact O-N 3.47Å; L93-Y97 HydrophobicContact CD2-CE2 4.07Å; L93-Y97 WeakPolarHBondContact O-CD2 3.27Å; L93-Y97 PolarHBondContact O-N 2.98Å; L93-Y97 VanDerWaalsContact O-N 3.09Å; L93-I110 HydrophobicContact CB-CD1 4.41Å; L93-I110 HydrophobicContact CD1-CD1 4.24Å; L93-I110 HydrophobicContact CD1-CG2 4.15Å; L93-I252 HydrophobicContact CD1-CG2 4.46Å; L93-F254 HydrophobicContact CD1-CE1 4.47Å; L93-F254 HydrophobicContact CD1-CZ 4.22Å; L93-I401 HydrophobicContact CB-CD1 4.1Å
94Y92.2Very high80.9Confident23 Ų2370.9 Ų70.99%0.0940%0.395CS..Hα-helixtrans-55-51.4177.5170.6-92.8000111.4M90 V91 K96 Y97 S98 A335 P336 T390 M392 I401M90-Y94 WeakPolarHBondContact O-CB 3.44Å; M90-Y94 PolarHBondContact O-N 3.28Å; V91-Y94 PolarHBondContact O-N 3.46Å; Y94-K96 VanDerWaalsContact C-N 3.32Å; Y94-K96 PolarHBondContact O-N 2.92Å; Y94-Y97 PolarHBondContact O-N 3.5Å; Y94-S98 VanDerWaalsContact O-CB 3.3Å; Y94-S98 WeakPolarHBondContact O-CB 3.25Å; Y94-S98 PolarHBondContact O-N 3.38Å; Y94-S98 PolarHBondContact O-OG 2.9Å; Y94-A335 HydrophobicContact CD1-CB 4.13Å; Y94-A335 HydrophobicContact CD2-CB 4.37Å; Y94-A335 HydrophobicContact CE1-CB 3.74Å; Y94-A335 HydrophobicContact CE2-CB 3.97Å; Y94-A335 HydrophobicContact CG-CB 4.44Å; Y94-P336 WeakPolarHBondContact OH-CB 3.33Å; Y94-P336 VanDerWaalsContact OH-CD 3.24Å; Y94-P336 WeakPolarHBondContact OH-CD 3.35Å; Y94-T390 HydrophobicContact CD2-CG2 3.95Å; Y94-T390 HydrophobicContact CE2-CG2 3.93Å; Y94-M392 HydrophobicContact CD2-CB 3.81Å; Y94-M392 HydrophobicContact CE2-CB 4.32Å; Y94-M392 HydrophobicContact CG-CB 4.41Å; Y94-I401 HydrophobicContact CD2-CG2 4.45Å
95N91.8Very high80.7Confident81 Ų8169.4 Ų69.443%0.43339%0.389SS..Hα-helixtrans-62.7-38-178.5-72.5-29.4000112.9V91 E92 L93 S98 S99V91-N95 WeakPolarHBondContact O-CB 3.27Å; V91-N95 VanDerWaalsContact O-CG 3.31Å; V91-N95 PolarHBondContact O-N 2.81Å; V91-N95 PolarHBondContact O-ND2 2.85Å; E92-N95 PolarHBondContact O-N 3.35Å; L93-N95 PolarHBondContact O-N 2.93Å; N95-S98 WeakPolarHBondContact CA-OG 3.44Å; N95-S98 PolarHBondContact O-OG 2.92Å; N95-S99 VanDerWaalsContact O-CB 3.32Å; N95-S99 WeakPolarHBondContact O-CB 3.17Å; N95-S99 PolarHBondContact O-N 3.31Å; N95-S99 PolarHBondContact O-OG 2.92Å
96K88.5Confident80.3Confident127 Ų12773 Ų7355%0.55240%0.396SS*.Hα-helixtrans-60-47.7176.4177.7-175.3177.5-172.10110.9E92 L93 Y94 N100E92-K96 VanDerWaalsContact O-CB 3.3Å; E92-K96 WeakPolarHBondContact O-CB 3.39Å; E92-K96 PolarHBondContact O-N 2.79Å; L93-K96 WeakPolarHBondContact O-CB 3.29Å; L93-K96 PolarHBondContact O-N 3.47Å; Y94-K96 VanDerWaalsContact C-N 3.32Å; Y94-K96 PolarHBondContact O-N 2.92Å; K96-N100 WeakPolarHBondContact O-CB 3.41Å; K96-N100 PolarHBondContact O-N 3.32Å
97Y84.3Confident80.2Confident36 Ų3672.2 Ų72.214%0.14139%0.389CS..Hα-helixtrans-81.9-35.5-175.8-71-66.6000112.8L93 Y94 S99 P105 F107 I110 Y403L93-Y97 HydrophobicContact CD2-CE2 4.07Å; L93-Y97 WeakPolarHBondContact O-CD2 3.27Å; L93-Y97 PolarHBondContact O-N 2.98Å; L93-Y97 VanDerWaalsContact O-N 3.09Å; Y94-Y97 PolarHBondContact O-N 3.5Å; Y97-S99 PolarHBondContact O-N 2.83Å; Y97-P105 HydrophobicContact CD1-CB 4.43Å; Y97-P105 HydrophobicContact CE1-CB 4.14Å; Y97-F107 HydrophobicContact CD1-CZ 4.4Å; Y97-F107 HydrophobicContact CD2-CZ 4.27Å; Y97-F107 HydrophobicContact CE1-CE1 4.38Å; Y97-F107 HydrophobicContact CE1-CE2 4.43Å; Y97-F107 AromaticContact CE1-CZ 3.71Å; Y97-F107 HydrophobicContact CE1-CZ 3.71Å; Y97-F107 HydrophobicContact CE2-CE2 4.3Å; Y97-F107 AromaticContact CE2-CZ 3.6Å; Y97-F107 HydrophobicContact CE2-CZ 3.6Å; Y97-F107 AromaticContact CZ-CE1 3.99Å; Y97-F107 AromaticContact CZ-CZ 3.3Å; Y97-F107 WeakPolarHBondContact OH-CZ 3.45Å; Y97-I110 HydrophobicContact CD2-CD1 4.21Å; Y97-I110 HydrophobicContact CE2-CD1 4.21Å; Y97-Y403 HydrophobicContact CD1-CD2 4.34Å; Y97-Y403 HydrophobicContact CD1-CE2 4.19Å; Y97-Y403 HydrophobicContact CG-CD2 4.32Å; Y97-Y403 HydrophobicContact CG-CE2 4.43Å; Y97-Y403 WeakPolarHBondContact O-CE2 3.25Å
98S86.3Confident80.1Confident33 Ų3370.2 Ų70.223%0.23138%0.375CS..Hα-helixtrans-62-33176.669.30000112.6Y94 N95Y94-S98 VanDerWaalsContact O-CB 3.3Å; Y94-S98 WeakPolarHBondContact O-CB 3.25Å; Y94-S98 PolarHBondContact O-N 3.38Å; Y94-S98 PolarHBondContact O-OG 2.9Å; N95-S98 WeakPolarHBondContact CA-OG 3.44Å; N95-S98 PolarHBondContact O-OG 2.92Å
99S81Confident80.3Confident99 Ų9963.3 Ų63.369%0.69234%0.342SS*.Hα-helixtrans-90.1-33.4-174.9-51.30000113.5N95 Y97N95-S99 VanDerWaalsContact O-CB 3.32Å; N95-S99 WeakPolarHBondContact O-CB 3.17Å; N95-S99 PolarHBondContact O-N 3.31Å; N95-S99 PolarHBondContact O-OG 2.92Å; Y97-S99 PolarHBondContact O-N 2.83Å
100N71.9Confident80.6Confident89 Ų8960.7 Ų60.748%0.47633%0.331SS..  trans-103.187.4-175.9-166.1-6.7000111.5K96 S102 Y403K96-N100 WeakPolarHBondContact O-CB 3.41Å; K96-N100 PolarHBondContact O-N 3.32Å; N100-S102 PolarHBondContact OD1-N 3.25Å; N100-Y403 PolarHBondContact O-OH 3.47Å
101R63.2Low80.7Confident117 Ų11760.9 Ų60.944%0.44233%0.332SS..  trans-83.8-4.3178.1-66.3-168.2179.9-139.6-2114.4P388R101-P388 PolarHBondContact NH1-O 3.28Å; R101-P388 PolarHBondContact NH2-O 2.84Å
102S58.3Low80.8Confident122 Ų12259.4 Ų59.485%0.85332%0.324SS*.SBendtrans-83.6-15.4-170.8-57.70000114N100N100-S102 PolarHBondContact OD1-N 3.25Å
103A57.6Low80.9Confident64 Ų6454.8 Ų54.853%0.52930%0.302SS..SBendtrans-117.9111.3173.500000108.8P105A103-P105 VanDerWaalsContact O-CD 3.28Å; A103-P105 WeakPolarHBondContact O-CD 3.37Å
104V61.5Low80.9Confident107 Ų10757.4 Ų57.465%0.64833%0.326SS*.  trans-62.6116.2170.8179.70000107.2
105P68.4Low80.8Confident12 Ų1256.6 Ų56.68%0.07832%0.323CS..  trans-64.7147177.525-28.2000109.2Y97 A103 F107 R261 Y403Y97-P105 HydrophobicContact CD1-CB 4.43Å; Y97-P105 HydrophobicContact CE1-CB 4.14Å; A103-P105 VanDerWaalsContact O-CD 3.28Å; A103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-F107 HydrophobicContact CB-CD1 4.23Å; P105-F107 HydrophobicContact CB-CD2 4.28Å; P105-F107 HydrophobicContact CB-CE1 4.11Å; P105-F107 HydrophobicContact CB-CE2 4.11Å; P105-F107 HydrophobicContact CB-CG 4.34Å; P105-F107 HydrophobicContact CB-CZ 4.08Å; P105-F107 WeakPolarHBondContact CG-O 3.34Å; P105-F107 PolarHBondContact O-N 2.94Å; P105-R261 PolarHBondContact O-NH1 3.2Å; P105-R261 PolarHBondContact O-NH2 3.19Å; P105-Y403 HydrophobicContact CG-CD1 3.18Å; P105-Y403 HydrophobicContact CG-CD2 4.01Å; P105-Y403 HydrophobicContact CG-CE1 3.46Å; P105-Y403 VanDerWaalsContact CG-CE1 3.46Å; P105-Y403 HydrophobicContact CG-CE2 4.14Å; P105-Y403 HydrophobicContact CG-CG 3.52Å
106Q73.1Confident80.7Confident160 Ų16058 Ų5875%0.74833%0.327SS*.SBendtrans-65-14.3175.3-69.6-178.1-3.900112.3I142Q106-I142 WeakPolarHBondContact O-CD1 3.17Å
107F83Confident80.7Confident21 Ų2155.2 Ų55.29%0.09232%0.318CS..  trans-118.9163179.860.9-101.4000110.8Y97 P105 I110 I142 F254Y97-F107 HydrophobicContact CD1-CZ 4.4Å; Y97-F107 HydrophobicContact CD2-CZ 4.27Å; Y97-F107 HydrophobicContact CE1-CE1 4.38Å; Y97-F107 HydrophobicContact CE1-CE2 4.43Å; Y97-F107 AromaticContact CE1-CZ 3.71Å; Y97-F107 HydrophobicContact CE1-CZ 3.71Å; Y97-F107 HydrophobicContact CE2-CE2 4.3Å; Y97-F107 AromaticContact CE2-CZ 3.6Å; Y97-F107 HydrophobicContact CE2-CZ 3.6Å; Y97-F107 AromaticContact CZ-CE1 3.99Å; Y97-F107 AromaticContact CZ-CZ 3.3Å; Y97-F107 WeakPolarHBondContact OH-CZ 3.45Å; P105-F107 HydrophobicContact CB-CD1 4.23Å; P105-F107 HydrophobicContact CB-CD2 4.28Å; P105-F107 HydrophobicContact CB-CE1 4.11Å; P105-F107 HydrophobicContact CB-CE2 4.11Å; P105-F107 HydrophobicContact CB-CG 4.34Å; P105-F107 HydrophobicContact CB-CZ 4.08Å; P105-F107 WeakPolarHBondContact CG-O 3.34Å; P105-F107 PolarHBondContact O-N 2.94Å; F107-I110 HydrophobicContact CD2-CD1 4.43Å; F107-I110 HydrophobicContact CD2-CG1 3.94Å; F107-I110 HydrophobicContact CE2-CD1 3.55Å; F107-I110 HydrophobicContact CE2-CG1 3.55Å; F107-I110 HydrophobicContact CZ-CD1 3.93Å; F107-I110 HydrophobicContact CZ-CG1 4.26Å; F107-I142 HydrophobicContact CB-CD1 3.67Å; F107-F254 HydrophobicContact CB-CB 4.22Å; F107-F254 HydrophobicContact CD1-CB 4.29Å; F107-F254 AromaticContact CD1-CD1 3.78Å; F107-F254 HydrophobicContact CD1-CD1 3.78Å; F107-F254 HydrophobicContact CD1-CG 4.43Å; F107-F254 HydrophobicContact CD2-CD1 4.11Å; F107-F254 AromaticContact CE1-CD1 3.58Å; F107-F254 HydrophobicContact CE1-CD1 3.58Å; F107-F254 HydrophobicContact CE1-CE1 4Å; F107-F254 AromaticContact CE2-CD1 3.98Å; F107-F254 HydrophobicContact CE2-CD1 3.98Å; F107-F254 HydrophobicContact CE2-CE1 4.43Å; F107-F254 HydrophobicContact CG-CB 4.21Å; F107-F254 HydrophobicContact CG-CD1 4.01Å; F107-F254 AromaticContact CZ-CD1 3.65Å; F107-F254 HydrophobicContact CZ-CD1 3.65Å; F107-F254 AromaticContact CZ-CE1 3.86Å; F107-F254 HydrophobicContact CZ-CE1 3.86Å
108D84.3Confident80.9Confident7 Ų754.6 Ų54.64%0.03732%0.318CS..SBendtrans-117.8-26.1177.2-76.4-27000113.2S255 R261 R402 Y403D108-S255 PolarHBondContact N-O 2.81Å; D108-R261 VanDerWaalsContact CG-NE 3.3Å; D108-R261 IonicContact OD1-CZ 3.21Å; D108-R261 IonicContact OD1-NE 3.19Å; D108-R261 PolarHBondContact OD1-NE 2.96Å; D108-R261 IonicContact OD1-NH1 2.97Å; D108-R261 PolarHBondContact OD1-NH1 3.19Å; D108-R261 VanDerWaalsContact OD1-NH1 3.15Å; D108-R261 IonicContact OD1-NH2 2.66Å; D108-R261 PolarHBondContact OD1-NH2 2.8Å; D108-R261 WeakPolarHBondContact OD2-CD 3.32Å; D108-R261 WeakPolarHBondContact OD2-CG 3.47Å; D108-R261 IonicContact OD2-CZ 2.69Å; D108-R261 IonicContact OD2-NE 3.35Å; D108-R261 PolarHBondContact OD2-NE 2.99Å; D108-R261 IonicContact OD2-NH2 3.69Å; D108-R261 PolarHBondContact OD2-NH2 3.24Å; D108-R402 WeakPolarHBondContact O-CA 3.11Å; D108-Y403 PolarHBondContact O-N 2.96Å
109V90.4Very high81Confident3 Ų356.8 Ų56.82%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-129.4134.6-173-169.50000109.9R111 F254 S255 T400 I401V109-R111 HydrophobicContact CG1-CG 4.19Å; V109-F254 WeakPolarHBondContact O-CA 3.23Å; V109-S255 PolarHBondContact N-O 2.81Å; V109-S255 PolarHBondContact O-N 2.88Å; V109-T400 HydrophobicContact CG1-CG2 3.62Å; V109-I401 CarbonylContact C-O 3.6Å; V109-I401 WeakPolarHBondContact CA-O 3.46Å
110I93.4Very high81.2Confident2 Ų257 Ų571%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-121129.1172.5-45.8175.7000107.7M90 L93 Y97 F107 I252 I253 F254 T400 I401M90-I110 HydrophobicContact CE-CG2 4.29Å; M90-I110 HydrophobicContact SD-CG2 4.32Å; L93-I110 HydrophobicContact CB-CD1 4.41Å; L93-I110 HydrophobicContact CD1-CD1 4.24Å; L93-I110 HydrophobicContact CD1-CG2 4.15Å; Y97-I110 HydrophobicContact CD2-CD1 4.21Å; Y97-I110 HydrophobicContact CE2-CD1 4.21Å; F107-I110 HydrophobicContact CD2-CD1 4.43Å; F107-I110 HydrophobicContact CD2-CG1 3.94Å; F107-I110 HydrophobicContact CE2-CD1 3.55Å; F107-I110 HydrophobicContact CE2-CG1 3.55Å; F107-I110 HydrophobicContact CZ-CD1 3.93Å; F107-I110 HydrophobicContact CZ-CG1 4.26Å; I110-I252 HydrophobicContact CG2-CG2 3.68Å; I110-I253 CarbonylContact C-O 3.55Å; I110-I253 WeakPolarHBondContact CA-O 3.36Å; I110-F254 HydrophobicContact CB-CD1 4.45Å; I110-F254 HydrophobicContact CD1-CD1 4.02Å; I110-F254 HydrophobicContact CD1-CE1 3.71Å; I110-F254 HydrophobicContact CG1-CD1 3.73Å; I110-F254 HydrophobicContact CG1-CE1 3.91Å; I110-F254 HydrophobicContact CG2-CD1 4.12Å; I110-F254 HydrophobicContact CG2-CE1 3.96Å; I110-F254 HydrophobicContact CG2-CZ 4.29Å; I110-T400 CarbonylContact O-C 3.47Å; I110-T400 VanDerWaalsContact O-CA 3.28Å; I110-T400 WeakPolarHBondContact O-CA 3.3Å; I110-I401 HydrophobicContact CB-CB 4.16Å; I110-I401 HydrophobicContact CD1-CB 4.46Å; I110-I401 HydrophobicContact CD1-CD1 4.38Å; I110-I401 HydrophobicContact CG1-CB 4.48Å; I110-I401 PolarHBondContact N-O 2.67Å; I110-I401 PolarHBondContact O-N 2.98Å
111R93.4Very high81.3Confident5 Ų554.1 Ų54.12%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-123.6136176.4-68-171.2177.686.3-3.6111.3V109 F113 E139 I252 I253 S255 E395 T400V109-R111 HydrophobicContact CG1-CG 4.19Å; R111-F113 HydrophobicContact CB-CD2 4.15Å; R111-F113 HydrophobicContact CB-CE2 3.48Å; R111-F113 VanDerWaalsContact CB-CE2 3.48Å; R111-F113 HydrophobicContact CB-CZ 4.11Å; R111-E139 IonicContact CZ-OE1 3.41Å; R111-E139 IonicContact CZ-OE2 3.11Å; R111-E139 VanDerWaalsContact NH1-CD 3.33Å; R111-E139 IonicContact NH1-OE1 2.71Å; R111-E139 PolarHBondContact NH1-OE1 3.14Å; R111-E139 IonicContact NH1-OE2 3.94Å; R111-E139 PolarHBondContact NH1-OE2 3.11Å; R111-E139 IonicContact NH2-OE1 2.63Å; R111-E139 PolarHBondContact NH2-OE1 3.38Å; R111-E139 IonicContact NH2-OE2 3.17Å; R111-I252 WeakPolarHBondContact O-CA 3.23Å; R111-I253 PolarHBondContact N-O 2.75Å; R111-I253 PolarHBondContact O-N 2.84Å; R111-S255 PolarHBondContact NH1-OG 3.27Å; R111-E395 IonicContact NE-OE2 3.25Å; R111-E395 PolarHBondContact NE-OE2 2.9Å; R111-E395 IonicContact NH2-OE2 3.24Å; R111-T400 HydrophobicContact CG-CG2 3.87Å
112S93.8Very high81.4Confident19 Ų1951.7 Ų51.713%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-102.7118.4171.3-177.40000110.2I252 R398 I399S112-I252 WeakPolarHBondContact OG-CD1 3.31Å; S112-R398 VanDerWaalsContact O-CB 3.31Å; S112-R398 WeakPolarHBondContact O-CB 3.35Å; S112-I399 PolarHBondContact N-O 3.46Å
113F91.8Very high81.7Confident9 Ų951 Ų514%0.03931%0.311CS..EExtended strand (participates in β ladder)trans-104.3119.2176.5-66.4-94.1000109.5R111 N132 V133 I135 A250 L251 I253 R398R111-F113 HydrophobicContact CB-CD2 4.15Å; R111-F113 HydrophobicContact CB-CE2 3.48Å; R111-F113 VanDerWaalsContact CB-CE2 3.48Å; R111-F113 HydrophobicContact CB-CZ 4.11Å; F113-N132 VanDerWaalsContact CD1-O 3.23Å; F113-N132 WeakPolarHBondContact CD1-O 3.48Å; F113-V133 HydrophobicContact CE1-CG1 4.45Å; F113-V133 HydrophobicContact CZ-CG1 4.25Å; F113-I135 HydrophobicContact CE2-CD1 4.02Å; F113-I135 HydrophobicContact CZ-CD1 3.83Å; F113-A250 WeakPolarHBondContact O-CA 3.45Å; F113-L251 HydrophobicContact CB-CB 4.2Å; F113-L251 PolarHBondContact N-O 3.4Å; F113-L251 PolarHBondContact O-N 2.6Å; F113-I253 HydrophobicContact CD2-CD1 3.81Å; F113-I253 HydrophobicContact CD2-CG1 4.02Å; F113-I253 HydrophobicContact CE2-CB 4.19Å; F113-I253 HydrophobicContact CE2-CD1 3.55Å; F113-I253 HydrophobicContact CE2-CG1 3.97Å; F113-I253 HydrophobicContact CZ-CD1 4.36Å; F113-R398 VanDerWaalsContact CE1-NH1 3.26Å
114A90.3Very high81.9Confident70 Ų7056.8 Ų56.858%0.57933%0.325SS*.EExtended strand (participates in β ladder)trans-72.5143.9173.700000110.7Q116A114-Q116 PolarHBondContact O-N 3.39Å
115V91.1Very high82.6Confident5 Ų553.1 Ų53.13%0.0330%0.303CS..  trans-61.1134.8169.6670000110.2D117 V118 L129 F131 V243 A248 A249V115-D117 WeakPolarHBondContact CG2-O 3.38Å; V115-V118 HydrophobicContact CG1-CG2 4.34Å; V115-V118 HydrophobicContact CG2-CG2 3.74Å; V115-L129 HydrophobicContact CG2-CB 4.27Å; V115-L129 HydrophobicContact CG2-CD2 4.34Å; V115-F131 HydrophobicContact CB-CD1 4.43Å; V115-F131 HydrophobicContact CB-CE1 3.79Å; V115-F131 HydrophobicContact CB-CZ 4.12Å; V115-F131 HydrophobicContact CG2-CE1 4.3Å; V115-F131 HydrophobicContact CG2-CZ 4.25Å; V115-V243 HydrophobicContact CG1-CG2 4.46Å; V115-A248 HydrophobicContact CG1-CB 4.12Å; V115-A249 HydrophobicContact CB-CB 4.22Å; V115-A249 WeakPolarHBondContact CB-O 3.09Å; V115-A249 HydrophobicContact CG1-CB 4.23Å; V115-A249 WeakPolarHBondContact CG1-O 3.36Å; V115-A249 PolarHBondContact N-O 3.21Å
116Q88.9Confident83.5Confident111 Ų11156.8 Ų56.852%0.51932%0.316SS..  trans-90.7-40.2178-67-162.8-29.800112.3A114 Q130 N132A114-Q116 PolarHBondContact O-N 3.39Å; Q116-Q130 PolarHBondContact N-O 3.36Å; Q116-N132 VanDerWaalsContact CD-CB 3.49Å; Q116-N132 HydrophobicContact CG-CB 4.38Å
117D88.4Confident84.3Confident68 Ų6850 Ų5036%0.36428%0.284SS..EExtended strand (participates in β ladder)trans-149.7147.9-178.7-169.124.5000111.1V115 M119 Q130V115-D117 WeakPolarHBondContact CG2-O 3.38Å; D117-M119 WeakPolarHBondContact OD2-CG 3.4Å; D117-Q130 HydrophobicContact CB-CB 4.38Å; D117-Q130 PolarHBondContact O-N 3.08Å
118V89.4Confident84.6Confident23 Ų2349.8 Ų49.814%0.13928%0.282CS..EExtended strand (participates in β ladder)trans-129.3104.8178.1-176.90000108.9V115 F127 R128 L129 A241 V243V115-V118 HydrophobicContact CG1-CG2 4.34Å; V115-V118 HydrophobicContact CG2-CG2 3.74Å; V118-F127 HydrophobicContact CG1-CB 4.35Å; V118-F127 HydrophobicContact CG1-CD1 4.12Å; V118-R128 WeakPolarHBondContact CA-O 3.42Å; V118-L129 HydrophobicContact CB-CD2 4.18Å; V118-L129 HydrophobicContact CG1-CD2 3.75Å; V118-L129 HydrophobicContact CG2-CD2 3.63Å; V118-A241 HydrophobicContact CB-CB 4.46Å; V118-A241 HydrophobicContact CG1-CB 3.76Å; V118-V243 HydrophobicContact CG2-CG2 3.95Å
119M87.6Confident85Confident80 Ų8049.4 Ų49.439%0.39428%0.28SS..EExtended strand (participates in β ladder)trans-101133.6178.7-58.4-179.671.800110.7D117 F127 R128D117-M119 WeakPolarHBondContact OD2-CG 3.4Å; M119-F127 CarbonylContact O-C 3.46Å; M119-F127 VanDerWaalsContact O-CA 3.3Å; M119-F127 WeakPolarHBondContact O-CA 3.4Å; M119-R128 HydrophobicContact CB-CB 4.36Å; M119-R128 PolarHBondContact N-O 2.94Å; M119-R128 PolarHBondContact O-N 3.28Å
120T84.4Confident85Confident103 Ų10352.6 Ų52.663%0.63230%0.295SS*.EExtended strand (participates in β ladder)trans-85.8126.2171.124.20000110.7R126 F127T120-R126 CarbonylContact C-O 3.59Å; T120-R126 WeakPolarHBondContact CA-O 3.39Å; T120-F127 HydrophobicContact CG2-CD1 3.49Å; T120-F127 VanDerWaalsContact CG2-CD1 3.49Å; T120-F127 HydrophobicContact CG2-CE1 3.39Å; T120-F127 HydrophobicContact CG2-CG 4.46Å; T120-F127 HydrophobicContact CG2-CZ 4.29Å
121I73.9Confident84.9Confident29 Ų2952.5 Ų52.515%0.14930%0.295CS..  trans-117.4111.5-173.9-57.5-173.6000111R126 R128 T178I121-R126 PolarHBondContact N-O 2.81Å; I121-R126 VanDerWaalsContact O-CB 3.31Å; I121-R126 WeakPolarHBondContact O-CB 3.43Å; I121-R128 HydrophobicContact CD1-CB 3.44Å; I121-R128 VanDerWaalsContact CD1-CB 3.44Å; I121-R128 HydrophobicContact CD1-CG 4.21Å; I121-R128 VanDerWaalsContact CD1-NE 3.29Å; I121-R128 HydrophobicContact CG1-CB 4.11Å; I121-T178 HydrophobicContact CG2-CG2 4.3Å
122G65.8Low84.7Confident66 Ų6656.3 Ų56.368%0.6832%0.315SS*.SBendtrans80.6-148.5174.300000113.8
123P64.1Low84.4Confident108 Ų10855.8 Ų55.870%0.70131%0.311SS*.SBendtrans-59.4148.7178.325.9-31.9000110.2S125P123-S125 PolarHBondContact O-N 3.05Å
124K62.6Low84.2Confident185 Ų18558.1 Ų58.180%0.80433%0.328SS*.THydrogen-bonded Turntrans-5223.2-160.4-66.7-179.2172.8179.70119.8
125S76.5Confident84.1Confident29 Ų2955.9 Ų55.920%0.20331%0.307CS..THydrogen-bonded Turntrans-141.312.9-168-78.90000113.9P123 A221 V222P123-S125 PolarHBondContact O-N 3.05Å; S125-A221 WeakPolarHBondContact O-CA 3.46Å; S125-V222 WeakPolarHBondContact CB-O 3.43Å; S125-V222 PolarHBondContact O-N 2.81Å; S125-V222 PolarHBondContact OG-O 2.76Å
126R86.9Confident83.9Confident90 Ų9057.4 Ų57.434%0.3432%0.316SS..EExtended strand (participates in β ladder)trans-125.7136.1175.5-67.3-175.1179.2-152.6-0.1111.5T120 I121 V220 A221T120-R126 CarbonylContact C-O 3.59Å; T120-R126 WeakPolarHBondContact CA-O 3.39Å; I121-R126 PolarHBondContact N-O 2.81Å; I121-R126 VanDerWaalsContact O-CB 3.31Å; I121-R126 WeakPolarHBondContact O-CB 3.43Å; R126-V220 CarbonylContact C-O 3.53Å; R126-V220 VanDerWaalsContact CA-O 3.26Å; R126-V220 WeakPolarHBondContact CA-O 3.37Å; R126-A221 HydrophobicContact CG-CB 3.9Å
127F89.6Confident83.7Confident17 Ų1758.4 Ų58.48%0.07534%0.336CS..EExtended strand (participates in β ladder)trans-129.9137.1-174.4-55.1-90.4000109.4V118 M119 T120 D219 V220 V222 M239 A241V118-F127 HydrophobicContact CG1-CB 4.35Å; V118-F127 HydrophobicContact CG1-CD1 4.12Å; M119-F127 CarbonylContact O-C 3.46Å; M119-F127 VanDerWaalsContact O-CA 3.3Å; M119-F127 WeakPolarHBondContact O-CA 3.4Å; T120-F127 HydrophobicContact CG2-CD1 3.49Å; T120-F127 VanDerWaalsContact CG2-CD1 3.49Å; T120-F127 HydrophobicContact CG2-CE1 3.39Å; T120-F127 HydrophobicContact CG2-CG 4.46Å; T120-F127 HydrophobicContact CG2-CZ 4.29Å; F127-D219 CarbonylContact O-C 3.52Å; F127-D219 WeakPolarHBondContact O-CA 3.36Å; F127-V220 PolarHBondContact N-O 2.88Å; F127-V220 PolarHBondContact O-N 3.13Å; F127-V222 HydrophobicContact CD2-CG2 4.27Å; F127-V222 HydrophobicContact CE2-CG2 4Å; F127-M239 HydrophobicContact CB-CE 3.54Å; F127-M239 HydrophobicContact CD1-CE 3.77Å; F127-M239 HydrophobicContact CD2-CE 3.39Å; F127-M239 HydrophobicContact CD2-SD 4.16Å; F127-M239 HydrophobicContact CE1-CE 4.31Å; F127-M239 HydrophobicContact CE2-CB 4.37Å; F127-M239 HydrophobicContact CE2-CE 3.99Å; F127-M239 HydrophobicContact CG-CE 3.27Å; F127-M239 HydrophobicContact CZ-CE 4.41Å; F127-A241 HydrophobicContact CD1-CB 4.41Å; F127-A241 HydrophobicContact CE1-CB 4.25Å
128R90.5Very high83.4Confident16 Ų1657.6 Ų57.66%0.0633%0.33CS..EExtended strand (participates in β ladder)trans-107.5117.1170.3175.9166.5-68.8-177.7-6.1108.3V118 M119 I121 D175 N176 A217 L218 D219V118-R128 WeakPolarHBondContact CA-O 3.42Å; M119-R128 HydrophobicContact CB-CB 4.36Å; M119-R128 PolarHBondContact N-O 2.94Å; M119-R128 PolarHBondContact O-N 3.28Å; I121-R128 HydrophobicContact CD1-CB 3.44Å; I121-R128 VanDerWaalsContact CD1-CB 3.44Å; I121-R128 HydrophobicContact CD1-CG 4.21Å; I121-R128 VanDerWaalsContact CD1-NE 3.29Å; I121-R128 HydrophobicContact CG1-CB 4.11Å; R128-D175 PolarHBondContact NH1-O 2.97Å; R128-D175 PolarHBondContact NH2-O 2.99Å; R128-N176 PolarHBondContact NH1-OD1 2.95Å; R128-A217 HydrophobicContact CG-CB 4.42Å; R128-L218 WeakPolarHBondContact CA-O 3.22Å; R128-D219 VanDerWaalsContact CB-OD1 3.28Å; R128-D219 WeakPolarHBondContact CB-OD1 2.84Å; R128-D219 WeakPolarHBondContact CG-OD1 3.31Å; R128-D219 IonicContact CZ-OD1 3.52Å; R128-D219 IonicContact CZ-OD2 3.71Å; R128-D219 IonicContact NE-OD1 2.75Å; R128-D219 PolarHBondContact NE-OD1 2.96Å; R128-D219 IonicContact NE-OD2 3.71Å; R128-D219 IonicContact NH2-OD1 3.43Å; R128-D219 PolarHBondContact NH2-OD1 2.87Å; R128-D219 IonicContact NH2-OD2 2.85Å; R128-D219 PolarHBondContact NH2-OD2 2.96Å
129L92.1Very high83.4Confident0 Ų057.6 Ų57.60%033%0.328CS..EExtended strand (participates in β ladder)trans-99.3127179.8-52.8178000108.5V115 V118 F131 L146 L148 A217 L218 V220 M239 A249V115-L129 HydrophobicContact CG2-CB 4.27Å; V115-L129 HydrophobicContact CG2-CD2 4.34Å; V118-L129 HydrophobicContact CB-CD2 4.18Å; V118-L129 HydrophobicContact CG1-CD2 3.75Å; V118-L129 HydrophobicContact CG2-CD2 3.63Å; L129-F131 HydrophobicContact CB-CD2 4.4Å; L129-F131 HydrophobicContact CB-CE2 3.59Å; L129-F131 HydrophobicContact CB-CZ 4.14Å; L129-F131 HydrophobicContact CD1-CE2 4.36Å; L129-F131 HydrophobicContact CD1-CZ 4.42Å; L129-L146 HydrophobicContact CD1-CD1 4.15Å; L129-L146 HydrophobicContact CD1-CD2 4.18Å; L129-L148 HydrophobicContact CD1-CD2 3.63Å; L129-A217 CarbonylContact O-C 3.49Å; L129-A217 VanDerWaalsContact O-CA 3.31Å; L129-A217 WeakPolarHBondContact O-CA 3.24Å; L129-L218 PolarHBondContact N-O 2.87Å; L129-L218 PolarHBondContact O-N 3.3Å; L129-V220 HydrophobicContact CD1-CG2 3.74Å; L129-V220 HydrophobicContact CG-CG2 4.27Å; L129-M239 HydrophobicContact CD2-CE 4.36Å; L129-A249 HydrophobicContact CD1-CB 4.21Å
130Q91.2Very high83.5Confident69 Ų6958.9 Ų58.932%0.32233%0.333SS..EExtended strand (participates in β ladder)trans-106.6129.2176.1-64.8-172.1-100110.9Q116 D117Q116-Q130 PolarHBondContact N-O 3.36Å; D117-Q130 HydrophobicContact CB-CB 4.38Å; D117-Q130 PolarHBondContact O-N 3.08Å
131F90.6Very high83.8Confident1 Ų154.6 Ų54.60%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-122.7139.9175.7-60.9-87.8000110.2V115 L129 V133 L146 A215 T216 L218 A249 L251V115-F131 HydrophobicContact CB-CD1 4.43Å; V115-F131 HydrophobicContact CB-CE1 3.79Å; V115-F131 HydrophobicContact CB-CZ 4.12Å; V115-F131 HydrophobicContact CG2-CE1 4.3Å; V115-F131 HydrophobicContact CG2-CZ 4.25Å; L129-F131 HydrophobicContact CB-CD2 4.4Å; L129-F131 HydrophobicContact CB-CE2 3.59Å; L129-F131 HydrophobicContact CB-CZ 4.14Å; L129-F131 HydrophobicContact CD1-CE2 4.36Å; L129-F131 HydrophobicContact CD1-CZ 4.42Å; F131-V133 HydrophobicContact CB-CG2 3.87Å; F131-L146 HydrophobicContact CE2-CD1 3.92Å; F131-L146 HydrophobicContact CZ-CD1 3.59Å; F131-A215 WeakPolarHBondContact O-CA 3.5Å; F131-T216 PolarHBondContact N-O 3.16Å; F131-T216 PolarHBondContact O-N 3.07Å; F131-L218 HydrophobicContact CD2-CD1 4.3Å; F131-L218 HydrophobicContact CE2-CD1 4.04Å; F131-A249 HydrophobicContact CZ-CB 4.49Å; F131-L251 HydrophobicContact CB-CD2 4.29Å; F131-L251 HydrophobicContact CD1-CB 3.75Å; F131-L251 HydrophobicContact CD1-CD2 4.48Å; F131-L251 HydrophobicContact CE1-CB 3.72Å; F131-L251 HydrophobicContact CG-CB 4.22Å; F131-L251 HydrophobicContact CG-CD2 4.18Å; F131-L251 HydrophobicContact CZ-CB 4.17Å
132N88.5Confident84.7Confident84 Ų8455 Ų5545%0.44931%0.309SS..EExtended strand (participates in β ladder)trans-95.593.3169.3-179.311.5000108.8F113 Q116F113-N132 VanDerWaalsContact CD1-O 3.23Å; F113-N132 WeakPolarHBondContact CD1-O 3.48Å; Q116-N132 VanDerWaalsContact CD-CB 3.49Å; Q116-N132 HydrophobicContact CG-CB 4.38Å
133V89.2Confident86Confident9 Ų954 Ų546%0.05529%0.289CS..  trans-96.9117.8-175.1-1790000108.6F113 F131 I135 I205 G214 L251 I253F113-V133 HydrophobicContact CE1-CG1 4.45Å; F113-V133 HydrophobicContact CZ-CG1 4.25Å; F131-V133 HydrophobicContact CB-CG2 3.87Å; V133-I135 HydrophobicContact CG1-CD1 4.45Å; V133-I135 HydrophobicContact CG1-CG1 3.97Å; V133-I205 HydrophobicContact CG1-CG2 4.21Å; V133-G214 PolarHBondContact N-O 3Å; V133-G214 VanDerWaalsContact N-O 3.08Å; V133-L251 HydrophobicContact CG2-CD2 3.59Å; V133-I253 HydrophobicContact CG1-CD1 3.48Å; V133-I253 VanDerWaalsContact CG1-CD1 3.48Å; V133-I253 HydrophobicContact CG2-CD1 4.4Å
134S87.5Confident87.5Confident57 Ų5748.9 Ų48.940%0.39926%0.256SS..  trans-127.3107.8174.857.50000110R398S134-R398 PolarHBondContact O-NH1 2.99Å; S134-R398 PolarHBondContact O-NH2 3.15Å; S134-R398 PolarHBondContact OG-NH1 3.18Å
135I88.1Confident89.1Confident24 Ų2443 Ų4312%0.12323%0.231CC..  trans-111.3131.1178-57.1-63.7000108.1F113 V133 E139 I141 I253F113-I135 HydrophobicContact CE2-CD1 4.02Å; F113-I135 HydrophobicContact CZ-CD1 3.83Å; V133-I135 HydrophobicContact CG1-CD1 4.45Å; V133-I135 HydrophobicContact CG1-CG1 3.97Å; I135-E139 HydrophobicContact CG2-CB 4.02Å; I135-I141 HydrophobicContact CG1-CD1 4.02Å; I135-I141 HydrophobicContact CG1-CG1 4.33Å; I135-I141 HydrophobicContact CG2-CG1 4.2Å; I135-I253 HydrophobicContact CD1-CB 4.46Å; I135-I253 HydrophobicContact CD1-CD1 4.1Å; I135-I253 HydrophobicContact CD1-CG2 4Å; I135-I253 HydrophobicContact CG1-CD1 4.46Å
136P86.6Confident90Very high36 Ų3641.6 Ų41.623%0.23422%0.221CC..  trans-61.3145.5178.5-23.935000112.9H138 E139P136-H138 WeakPolarHBondContact CB-CE1 3.39Å; P136-H138 PolarHBondContact O-N 2.8Å; P136-H138 VanDerWaalsContact O-N 3.11Å; P136-E139 HydrophobicContact CB-CG 4.32Å; P136-E139 WeakPolarHBondContact CG-OE1 3.18Å; P136-E139 PolarHBondContact O-N 3.21Å
137S83.9Confident90.3Very high132 Ų13237.8 Ų37.892%0.92321%0.207SC*.THydrogen-bonded Turntrans-65.7-16.4-173.557.80000115.6
138H83.4Confident90.6Very high51 Ų5137 Ų3724%0.23620%0.204CC..THydrogen-bonded Turntrans-88.6-9.3177.255.2-79.6000112.6N73 P136 D257N73-H138 PolarHBondContact ND2-CE1 2.86Å; N73-H138 PolarHBondContact ND2-NE2 2.85Å; P136-H138 WeakPolarHBondContact CB-CE1 3.39Å; P136-H138 PolarHBondContact O-N 2.8Å; P136-H138 VanDerWaalsContact O-N 3.11Å; H138-D257 IonicContact CD2-OD1 3.41Å; H138-D257 PolarHBondContact CD2-OD1 3.43Å; H138-D257 IonicContact CD2-OD2 2.91Å
139E88Confident90.7Very high23 Ų2338.2 Ų38.211%0.10721%0.21CC..  trans-98.2144178.7-64.6-175.2-145.900111.3R111 I135 P136 S255 D256 D257R111-E139 IonicContact CZ-OE1 3.41Å; R111-E139 IonicContact CZ-OE2 3.11Å; R111-E139 VanDerWaalsContact NH1-CD 3.33Å; R111-E139 IonicContact NH1-OE1 2.71Å; R111-E139 PolarHBondContact NH1-OE1 3.14Å; R111-E139 IonicContact NH1-OE2 3.94Å; R111-E139 PolarHBondContact NH1-OE2 3.11Å; R111-E139 IonicContact NH2-OE1 2.63Å; R111-E139 PolarHBondContact NH2-OE1 3.38Å; R111-E139 IonicContact NH2-OE2 3.17Å; I135-E139 HydrophobicContact CG2-CB 4.02Å; P136-E139 HydrophobicContact CB-CG 4.32Å; P136-E139 WeakPolarHBondContact CG-OE1 3.18Å; P136-E139 PolarHBondContact O-N 3.21Å; E139-S255 WeakPolarHBondContact OE2-CB 3.39Å; E139-S255 PolarHBondContact OE2-OG 2.84Å; E139-D256 WeakPolarHBondContact CA-O 3.48Å; E139-D257 HydrophobicContact CG-CB 4.24Å
140Q89.1Confident90.6Very high108 Ų10838.2 Ų38.251%0.50521%0.21SC..EExtended strand (participates in β ladder)trans-110.2129.5174.8-175.91732.400110.5I142 S255 D256 F258Q140-I142 PolarHBondContact O-N 3.46Å; Q140-S255 CarbonylContact O-C 3.57Å; Q140-S255 WeakPolarHBondContact O-CA 3.28Å; Q140-S255 WeakPolarHBondContact O-CB 3.15Å; Q140-D256 PolarHBondContact N-O 3.06Å; Q140-D256 PolarHBondContact O-N 2.87Å; Q140-F258 HydrophobicContact CB-CD2 3.82Å; Q140-F258 HydrophobicContact CB-CE2 3.76Å; Q140-F258 HydrophobicContact CG-CE2 4.21Å
141I91.9Very high90.6Very high12 Ų1238.5 Ų38.56%0.06221%0.21CC..EExtended strand (participates in β ladder)trans-74.1118.7177.3-56.7176.5000109.8I135 I205 R206 T209 I253I135-I141 HydrophobicContact CG1-CD1 4.02Å; I135-I141 HydrophobicContact CG1-CG1 4.33Å; I135-I141 HydrophobicContact CG2-CG1 4.2Å; I141-I205 HydrophobicContact CD1-CG2 3.86Å; I141-R206 PolarHBondContact O-NH2 3.25Å; I141-T209 HydrophobicContact CD1-CG2 4.47Å; I141-I253 HydrophobicContact CG1-CG2 4.35Å; I141-I253 HydrophobicContact CG2-CG2 3.98Å
142I92.3Very high90.4Very high39 Ų3939.9 Ų39.920%0.222%0.219CC..EExtended strand (participates in β ladder)trans-87.8-59.6176.6-62.3175.4000109.1Q106 F107 Q140 T202 R206 F254 D256Q106-I142 WeakPolarHBondContact O-CD1 3.17Å; F107-I142 HydrophobicContact CB-CD1 3.67Å; Q140-I142 PolarHBondContact O-N 3.46Å; I142-T202 VanDerWaalsContact O-CG2 3.32Å; I142-T202 WeakPolarHBondContact O-CG2 3.5Å; I142-R206 PolarHBondContact O-NH2 2.94Å; I142-R206 VanDerWaalsContact O-NH2 3.17Å; I142-F254 PolarHBondContact N-O 2.94Å; I142-D256 HydrophobicContact CD1-CB 3.55Å; I142-D256 HydrophobicContact CG1-CB 4.18Å
143T94.1Very high89.9Confident45 Ų4538.1 Ų38.128%0.27621%0.21SC..EExtended strand (participates in β ladder)trans-137.2151.7179.260.30000111T202 F254T143-T202 WeakPolarHBondContact CA-OG1 3.31Å; T143-F254 PolarHBondContact N-O 3.36Å; T143-F254 PolarHBondContact O-N 3.17Å; T143-F254 WeakPolarHBondContact OG1-CB 3.11Å; T143-F254 WeakPolarHBondContact OG1-CD2 3.46Å; T143-F254 WeakPolarHBondContact OG1-CG 3.34Å
144A95.2Very high88.8Confident0 Ų044.3 Ų44.30%025%0.248CC..EExtended strand (participates in β ladder)trans-137127.6170.100000110V201 T202 I205 L251 I252 I253A144-V201 HydrophobicContact CB-CG2 4.2Å; A144-V201 WeakPolarHBondContact O-CG2 3.48Å; A144-V201 PolarHBondContact O-N 2.85Å; A144-T202 PolarHBondContact N-OG1 2.88Å; A144-T202 PolarHBondContact O-N 2.79Å; A144-T202 PolarHBondContact O-OG1 2.87Å; A144-I205 HydrophobicContact CB-CB 4Å; A144-I205 HydrophobicContact CB-CG1 3.64Å; A144-I205 HydrophobicContact CB-CG2 4.37Å; A144-L251 HydrophobicContact CB-CD1 4.44Å; A144-I252 CarbonylContact C-O 3.51Å; A144-I252 WeakPolarHBondContact CA-O 3.45Å; A144-I253 HydrophobicContact CB-CG1 4.12Å
145E95.3Very high87.5Confident60 Ų6044.8 Ų44.828%0.2826%0.262SS..EExtended strand (participates in β ladder)trans-121.1122.8-172.8-71.7178.3-175.800109.6T198 F199 I252 F254E145-T198 HydrophobicContact CB-CG2 3.69Å; E145-T198 HydrophobicContact CG-CG2 4.02Å; E145-F199 CarbonylContact C-O 3.54Å; E145-F199 WeakPolarHBondContact CA-O 3.46Å; E145-I252 PolarHBondContact N-O 3.33Å; E145-I252 PolarHBondContact O-N 2.85Å; E145-F254 HydrophobicContact CG-CE2 4.49Å
146L95.6Very high85.9Confident0 Ų045.5 Ų45.50%027%0.269CS..EExtended strand (participates in β ladder)trans-89.6121173.517567.6000109.2L129 F131 L148 V169 T198 F199 V201 L218 V220L129-L146 HydrophobicContact CD1-CD1 4.15Å; L129-L146 HydrophobicContact CD1-CD2 4.18Å; F131-L146 HydrophobicContact CE2-CD1 3.92Å; F131-L146 HydrophobicContact CZ-CD1 3.59Å; L146-L148 HydrophobicContact CD1-CD2 4.09Å; L146-L148 HydrophobicContact CD2-CD1 4.1Å; L146-L148 HydrophobicContact CD2-CD2 4.11Å; L146-L148 HydrophobicContact CD2-CG 4.14Å; L146-L148 HydrophobicContact CG-CD2 4Å; L146-L148 HydrophobicContact CG-CG 4.04Å; L146-V169 HydrophobicContact CD2-CG1 4.06Å; L146-V169 HydrophobicContact CD2-CG2 4.38Å; L146-T198 CarbonylContact O-C 3.43Å; L146-T198 WeakPolarHBondContact O-CA 3.34Å; L146-F199 HydrophobicContact CB-CB 4.38Å; L146-F199 PolarHBondContact N-O 3.41Å; L146-F199 PolarHBondContact O-N 3.29Å; L146-V201 HydrophobicContact CB-CG1 3.93Å; L146-V201 HydrophobicContact CB-CG2 4.02Å; L146-V201 HydrophobicContact CD2-CG1 4.48Å; L146-L218 HydrophobicContact CD1-CD1 4.32Å; L146-L218 HydrophobicContact CD2-CD1 4.13Å; L146-V220 HydrophobicContact CD2-CG2 4.2Å
147Q94.1Very high84.4Confident10 Ų1052.1 Ų52.15%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-101.8125.9175.4-66.2-167.5-10.400111.2F89 W196 T198 A249 A250 I252F89-Q147 VanDerWaalsContact CE2-NE2 3.27Å; Q147-W196 HydrophobicContact CB-CE3 4.09Å; Q147-W196 HydrophobicContact CB-CZ3 4.22Å; Q147-T198 HydrophobicContact CG-CG2 4.32Å; Q147-A249 WeakPolarHBondContact O-CA 3.37Å; Q147-A250 PolarHBondContact N-O 3.5Å; Q147-A250 PolarHBondContact O-N 2.66Å; Q147-A250 VanDerWaalsContact O-N 3.13Å; Q147-I252 HydrophobicContact CG-CG1 4.32Å
148L94.4Very high83.2Confident1 Ų148.7 Ų48.71%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-124.2135.6-179.5-59.9179000110.3L129 L146 F150 W196 A197 F199 V220 M239 A249L129-L148 HydrophobicContact CD1-CD2 3.63Å; L146-L148 HydrophobicContact CD1-CD2 4.09Å; L146-L148 HydrophobicContact CD2-CD1 4.1Å; L146-L148 HydrophobicContact CD2-CD2 4.11Å; L146-L148 HydrophobicContact CD2-CG 4.14Å; L146-L148 HydrophobicContact CG-CD2 4Å; L146-L148 HydrophobicContact CG-CG 4.04Å; L148-F150 HydrophobicContact CB-CD2 4.42Å; L148-F150 HydrophobicContact CB-CE2 3.56Å; L148-F150 HydrophobicContact CB-CZ 3.94Å; L148-F150 HydrophobicContact CD1-CZ 4.2Å; L148-W196 VanDerWaalsContact C-CE3 3.49Å; L148-W196 WeakPolarHBondContact O-CA 3.2Å; L148-A197 PolarHBondContact N-O 2.93Å; L148-A197 PolarHBondContact O-N 3.25Å; L148-F199 HydrophobicContact CB-CE2 4.31Å; L148-F199 HydrophobicContact CD1-CD2 3.91Å; L148-F199 HydrophobicContact CD1-CE2 3.72Å; L148-F199 HydrophobicContact CG-CD2 4.26Å; L148-F199 HydrophobicContact CG-CE2 4.21Å; L148-V220 HydrophobicContact CD1-CG1 3.84Å; L148-V220 HydrophobicContact CD1-CG2 4.05Å; L148-M239 HydrophobicContact CB-CG 4.45Å; L148-M239 HydrophobicContact CD1-SD 3.87Å; L148-M239 HydrophobicContact CD2-SD 4.11Å; L148-M239 HydrophobicContact CG-SD 4.43Å; L148-A249 HydrophobicContact CD2-CB 3.66Å
149F92.8Very high82Confident41 Ų4153.2 Ų53.218%0.1831%0.307CS..EExtended strand (participates in β ladder)trans-94130.1176-173.1-109.2000110.6F151 W196 S240F149-F151 HydrophobicContact CD1-CD1 4.37Å; F149-F151 HydrophobicContact CE1-CB 4.3Å; F149-F151 HydrophobicContact CE1-CD1 4.48Å; F149-W196 HydrophobicContact CB-CD2 4.21Å; F149-W196 HydrophobicContact CB-CE3 3.99Å; F149-W196 HydrophobicContact CB-CH2 3.84Å; F149-W196 HydrophobicContact CB-CZ2 4.05Å; F149-W196 HydrophobicContact CB-CZ3 3.81Å; F149-W196 AromaticContact CD2-CD2 3.89Å; F149-W196 HydrophobicContact CD2-CD2 3.89Å; F149-W196 AromaticContact CD2-CE2 3.52Å; F149-W196 HydrophobicContact CD2-CG 4.19Å; F149-W196 AromaticContact CD2-CZ2 3.87Å; F149-W196 HydrophobicContact CD2-CZ2 3.87Å; F149-W196 AromaticContact CD2-NE1 3.59Å; F149-W196 AromaticContact CE2-NE1 3.96Å; F149-W196 HydrophobicContact CG-CZ2 4.26Å; F149-S240 PolarHBondContact O-N 3.47Å
150F91.8Very high80.7Confident0 Ų052.8 Ų52.80%031%0.306CS..EExtended strand (participates in β ladder)trans-117.1141.9177.8-65.6-88.6000110.7L148 V167 V189 S194 T195 A197 F199 V222 L237 N238 M239L148-F150 HydrophobicContact CB-CD2 4.42Å; L148-F150 HydrophobicContact CB-CE2 3.56Å; L148-F150 HydrophobicContact CB-CZ 3.94Å; L148-F150 HydrophobicContact CD1-CZ 4.2Å; F150-V167 HydrophobicContact CE1-CG2 3.61Å; F150-V167 HydrophobicContact CZ-CB 4.4Å; F150-V167 HydrophobicContact CZ-CG1 4.07Å; F150-V167 HydrophobicContact CZ-CG2 3.58Å; F150-V189 HydrophobicContact CD2-CG1 4.39Å; F150-V189 HydrophobicContact CE2-CG2 4.38Å; F150-V189 HydrophobicContact CG-CG1 4.49Å; F150-S194 CarbonylContact O-C 3.42Å; F150-S194 WeakPolarHBondContact O-CA 3.22Å; F150-S194 WeakPolarHBondContact O-CB 3.47Å; F150-T195 HydrophobicContact CB-CG2 4.31Å; F150-T195 PolarHBondContact N-O 3.17Å; F150-T195 PolarHBondContact O-N 2.82Å; F150-A197 HydrophobicContact CD2-CB 4.06Å; F150-A197 HydrophobicContact CE2-CB 3.77Å; F150-F199 HydrophobicContact CE2-CE2 4.28Å; F150-F199 HydrophobicContact CZ-CE2 4.47Å; F150-V222 HydrophobicContact CE1-CG2 4.37Å; F150-L237 HydrophobicContact CB-CB 4.41Å; F150-L237 HydrophobicContact CB-CD1 4.36Å; F150-L237 HydrophobicContact CB-CD2 4.5Å; F150-L237 HydrophobicContact CD1-CB 4.45Å; F150-N238 CarbonylContact C-O 3.5Å; F150-N238 WeakPolarHBondContact CA-O 3.37Å; F150-M239 HydrophobicContact CD1-CB 4.1Å; F150-M239 HydrophobicContact CE1-CB 3.75Å; F150-M239 HydrophobicContact CE1-CG 4Å; F150-M239 HydrophobicContact CZ-CB 4.42Å; F150-M239 HydrophobicContact CZ-CG 4.18Å
151F89.7Confident79.7Confident76 Ų7656.3 Ų56.333%0.33332%0.323SS..EExtended strand (participates in β ladder)trans-139.1152.2177.961.2-85.9000111.4F149 N238F149-F151 HydrophobicContact CD1-CD1 4.37Å; F149-F151 HydrophobicContact CE1-CB 4.3Å; F149-F151 HydrophobicContact CE1-CD1 4.48Å; F151-N238 HydrophobicContact CD1-CB 4.39Å; F151-N238 WeakPolarHBondContact CD1-O 3.42Å; F151-N238 HydrophobicContact CD2-CB 4.12Å; F151-N238 HydrophobicContact CE1-CB 3.93Å; F151-N238 HydrophobicContact CE2-CB 3.65Å; F151-N238 HydrophobicContact CG-CB 4.47Å; F151-N238 HydrophobicContact CZ-CB 3.54Å; F151-N238 PolarHBondContact N-O 3.45Å; F151-N238 PolarHBondContact O-N 3.1Å
152P87Confident78.8Confident30 Ų3058.1 Ų58.120%0.19534%0.337CS..EExtended strand (participates in β ladder)trans-60.1138.9178.4-26.536.4000113.7T154 F163P152-T154 PolarHBondContact O-N 3.49Å; P152-F163 HydrophobicContact CB-CD1 3.85Å; P152-F163 HydrophobicContact CB-CD2 3.9Å; P152-F163 HydrophobicContact CB-CE1 3.75Å; P152-F163 HydrophobicContact CB-CE2 3.77Å; P152-F163 HydrophobicContact CB-CG 3.97Å; P152-F163 HydrophobicContact CB-CZ 3.72Å; P152-F163 HydrophobicContact CG-CD2 3.83Å; P152-F163 HydrophobicContact CG-CE2 3.87Å; P152-F163 HydrophobicContact CG-CG 4.25Å; P152-F163 HydrophobicContact CG-CZ 4.33Å
153D78.1Confident78.3Confident46 Ų4657.3 Ų57.325%0.24633%0.332CS..  trans-75.5110.5172.8-165.514.2000111.2G155 S156 C236 N238D153-G155 PolarHBondContact O-N 3.28Å; D153-S156 PolarHBondContact O-OG 2.99Å; D153-C236 HydrophobicContact CB-CB 4.15Å; D153-C236 WeakPolarHBondContact CB-O 3.48Å; D153-C236 PolarHBondContact N-O 3.08Å; D153-N238 WeakPolarHBondContact CB-ND2 3.29Å; D153-N238 VanDerWaalsContact CG-ND2 3.27Å; D153-N238 PolarHBondContact OD1-ND2 3.02Å
154T66.1Low77.9Confident139 Ų13960 Ų6085%0.85334%0.34SS*.THydrogen-bonded Turntrans-74.3-7.2-176.452.70000113.6P152 S156P152-T154 PolarHBondContact O-N 3.49Å; T154-S156 VanDerWaalsContact C-N 3.3Å; T154-S156 PolarHBondContact O-N 3.43Å
155G59.5Low77.5Confident67 Ų6760.1 Ų60.169%0.69134%0.341SS*.THydrogen-bonded Turntrans-78.5-7.2177.300000115.1D153D153-G155 PolarHBondContact O-N 3.28Å
156S55.7Low77.2Confident39 Ų3957.9 Ų57.927%0.27333%0.332SS..  trans-95.9121.2-179.374.40000110.2D153 T154 V158D153-S156 PolarHBondContact O-OG 2.99Å; T154-S156 VanDerWaalsContact C-N 3.3Å; T154-S156 PolarHBondContact O-N 3.43Å; S156-V158 PolarHBondContact O-N 3.41Å
157N54.3Low77.1Confident176 Ų17657.9 Ų57.994%0.94133%0.333SS*.  trans-70.133.9174.4-79-16.6000112.2
158V58.5Low77Confident59 Ų5961.4 Ų61.436%0.35835%0.348SS..  trans-106.9120.7-171-1600000108.4S156 S160S156-V158 PolarHBondContact O-N 3.41Å; V158-S160 WeakPolarHBondContact CB-OG 3.4Å; V158-S160 WeakPolarHBondContact CG1-OG 3.49Å; V158-S160 PolarHBondContact O-N 2.91Å
159T57.9Low77Confident147 Ų14761.4 Ų61.490%0.90235%0.348SS*.  trans-74.550.1167.8470000110.4
160S61.7Low76.9Confident13 Ų1361.6 Ų61.69%0.09135%0.348CS..  trans-73.3127.7-179.8-61.70000109.8V158 S162 G233 A234 G235V158-S160 WeakPolarHBondContact CB-OG 3.4Å; V158-S160 WeakPolarHBondContact CG1-OG 3.49Å; V158-S160 PolarHBondContact O-N 2.91Å; S160-S162 VanDerWaalsContact C-N 3.28Å; S160-G233 VanDerWaalsContact CB-O 3.3Å; S160-G233 WeakPolarHBondContact CB-O 3.23Å; S160-G233 PolarHBondContact OG-O 2.9Å; S160-A234 VanDerWaalsContact OG-C 3.28Å; S160-G235 PolarHBondContact OG-N 2.72Å
161Q67.1Low76.7Confident182 Ų18263.7 Ų63.785%0.8536%0.357SS*.SBendtrans-79.9-12.1170.5-67.9-179.3-4.900112.4S192Q161-S192 WeakPolarHBondContact O-CA 3.32Å; Q161-S192 WeakPolarHBondContact O-CB 3.21Å
162S74.6Confident76.3Confident50 Ų5061 Ų6135%0.3535%0.35SS..  trans-141.7132.1176.176.40000112.1S160S160-S162 VanDerWaalsContact C-N 3.28Å
163F81.7Confident75.6Confident22 Ų2263.2 Ų63.210%0.09636%0.36CS..EExtended strand (participates in β ladder)trans-104.5144.6173.4-57.4-95.7000109.6P152 S190 A191 G235 L237P152-F163 HydrophobicContact CB-CD1 3.85Å; P152-F163 HydrophobicContact CB-CD2 3.9Å; P152-F163 HydrophobicContact CB-CE1 3.75Å; P152-F163 HydrophobicContact CB-CE2 3.77Å; P152-F163 HydrophobicContact CB-CG 3.97Å; P152-F163 HydrophobicContact CB-CZ 3.72Å; P152-F163 HydrophobicContact CG-CD2 3.83Å; P152-F163 HydrophobicContact CG-CE2 3.87Å; P152-F163 HydrophobicContact CG-CG 4.25Å; P152-F163 HydrophobicContact CG-CZ 4.33Å; F163-S190 CarbonylContact O-C 3.54Å; F163-S190 VanDerWaalsContact O-CA 3.29Å; F163-S190 WeakPolarHBondContact O-CA 3.29Å; F163-A191 WeakPolarHBondContact CA-O 3.4Å; F163-A191 WeakPolarHBondContact CB-O 3.31Å; F163-A191 WeakPolarHBondContact CD2-O 3.4Å; F163-A191 PolarHBondContact N-O 3.37Å; F163-A191 PolarHBondContact O-N 2.85Å; F163-G235 CarbonylContact C-O 3.52Å; F163-G235 WeakPolarHBondContact CA-O 3.27Å; F163-G235 VanDerWaalsContact CD1-C 3.43Å; F163-G235 VanDerWaalsContact CD1-CA 3.42Å; F163-L237 HydrophobicContact CB-CD1 4.45Å; F163-L237 HydrophobicContact CB-CD2 3.57Å; F163-L237 HydrophobicContact CB-CG 3.6Å; F163-L237 HydrophobicContact CG-CD2 4.36Å
164K85Confident74.8Confident101 Ų10163.9 Ų63.944%0.43938%0.377SS..EExtended strand (participates in β ladder)trans-129156-179-57.6-169.4176.6177.40111.8V189 S190 C227 G235 L237K164-V189 CarbonylContact C-O 3.55Å; K164-V189 VanDerWaalsContact CA-O 3.27Å; K164-V189 WeakPolarHBondContact CA-O 3.35Å; K164-S190 WeakPolarHBondContact CG-OG 3.38Å; K164-C227 PolarHBondContact O-SG 3.27Å; K164-G235 PolarHBondContact N-O 3.4Å; K164-L237 PolarHBondContact O-N 3.09Å; K164-L237 VanDerWaalsContact O-N 3.13Å
165A86.8Confident74.5Confident3 Ų362.2 Ų62.23%0.02536%0.363CS..EExtended strand (participates in β ladder)trans-157.9137.7165.300000109.6V167 V189 V222 L237A165-V167 HydrophobicContact CB-CG2 4.38Å; A165-V189 PolarHBondContact N-O 3.35Å; A165-V189 PolarHBondContact O-N 2.8Å; A165-V222 HydrophobicContact CB-CG1 3.9Å; A165-L237 HydrophobicContact CB-CB 3.89Å
166A89.7Confident74.4Confident13 Ų1365.1 Ų65.111%0.10736%0.363CS..EExtended strand (participates in β ladder)trans-91.9115170.700000108.4D188 D223A166-D188 VanDerWaalsContact CB-OD1 3.23Å; A166-D188 WeakPolarHBondContact CB-OD1 3.12Å; A166-D223 HydrophobicContact CB-CB 4.17Å; A166-D223 PolarHBondContact N-O 2.97Å; A166-D223 WeakPolarHBondContact O-CB 3.5Å; A166-D223 PolarHBondContact O-N 3.34Å
167V92.1Very high74.2Confident1 Ų166.2 Ų66.21%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-108133-173.8-174.30000109.3F150 A165 S186 E187 V189 F199 V220 A221F150-V167 HydrophobicContact CE1-CG2 3.61Å; F150-V167 HydrophobicContact CZ-CB 4.4Å; F150-V167 HydrophobicContact CZ-CG1 4.07Å; F150-V167 HydrophobicContact CZ-CG2 3.58Å; A165-V167 HydrophobicContact CB-CG2 4.38Å; V167-S186 CarbonylContact O-C 3.57Å; V167-S186 WeakPolarHBondContact O-CA 3.15Å; V167-E187 PolarHBondContact N-O 3.49Å; V167-E187 PolarHBondContact O-N 2.79Å; V167-V189 HydrophobicContact CG2-CG2 3.94Å; V167-F199 HydrophobicContact CB-CE1 3.92Å; V167-F199 HydrophobicContact CB-CZ 3.67Å; V167-F199 HydrophobicContact CG1-CE1 3.83Å; V167-F199 HydrophobicContact CG1-CE2 4.17Å; V167-F199 HydrophobicContact CG1-CZ 3.47Å; V167-F199 VanDerWaalsContact CG1-CZ 3.47Å; V167-F199 HydrophobicContact CG2-CZ 4.34Å; V167-V220 HydrophobicContact CG1-CG1 3.77Å; V167-A221 WeakPolarHBondContact CA-O 3.45Å
168K92.3Very high74.2Confident84 Ų8461.3 Ų61.337%0.36535%0.347SS..EExtended strand (participates in β ladder)trans-128.9129.4177.7-61.8177.8-175.6165.40109.7Y170 A221K168-Y170 HydrophobicContact CB-CE2 3.56Å; K168-Y170 WeakPolarHBondContact CD-OH 3.33Å; K168-A221 PolarHBondContact N-O 3Å; K168-A221 PolarHBondContact O-N 3.48Å
169V93.8Very high73.8Confident0 Ų063.6 Ų63.60%037%0.365CS..EExtended strand (participates in β ladder)trans-108.5136.4-179.8-173.70000109.5L146 L184 D185 F199 V201 D219 V220L146-V169 HydrophobicContact CD2-CG1 4.06Å; L146-V169 HydrophobicContact CD2-CG2 4.38Å; V169-L184 HydrophobicContact CG1-CD1 4.34Å; V169-L184 PolarHBondContact O-N 3.39Å; V169-D185 PolarHBondContact N-O 2.8Å; V169-D185 PolarHBondContact O-N 3.34Å; V169-F199 HydrophobicContact CG2-CB 3.84Å; V169-F199 HydrophobicContact CG2-CD1 3.65Å; V169-F199 HydrophobicContact CG2-CD2 4.16Å; V169-F199 HydrophobicContact CG2-CE1 4.25Å; V169-F199 HydrophobicContact CG2-CG 3.6Å; V169-V201 HydrophobicContact CG1-CG1 3.86Å; V169-D219 CarbonylContact C-O 3.56Å; V169-V220 HydrophobicContact CG2-CG2 4.42Å
170Y90.6Very high73.8Confident45 Ų4559.6 Ų59.618%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-131.2149.3-177.1-53.7-96.8000111K168 A172 R182 P183 D219 A221K168-Y170 HydrophobicContact CB-CE2 3.56Å; K168-Y170 WeakPolarHBondContact CD-OH 3.33Å; Y170-A172 PolarHBondContact O-N 3.46Å; Y170-R182 CarbonylContact C-O 3.56Å; Y170-R182 VanDerWaalsContact CA-O 3.23Å; Y170-R182 WeakPolarHBondContact CA-O 3.29Å; Y170-P183 HydrophobicContact CD1-CB 3.97Å; Y170-P183 HydrophobicContact CE1-CB 3.98Å; Y170-D219 PolarHBondContact N-O 2.87Å; Y170-D219 PolarHBondContact O-N 3.46Å; Y170-A221 HydrophobicContact CE2-CB 3.93Å
171E88.8Confident74.5Confident44 Ų4460.3 Ų60.321%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-71.9121.4166.8-172175.9-16200108.6N173 S181 R182 L184 A204E171-N173 PolarHBondContact O-N 2.82Å; E171-S181 WeakPolarHBondContact O-CA 3.47Å; E171-R182 HydrophobicContact CB-CB 4.24Å; E171-R182 PolarHBondContact N-O 2.86Å; E171-L184 HydrophobicContact CB-CD1 4.14Å; E171-L184 HydrophobicContact CB-CD2 4.23Å; E171-L184 HydrophobicContact CB-CG 4.24Å; E171-A204 HydrophobicContact CB-CB 4.22Å; E171-A204 HydrophobicContact CG-CB 3.95Å
172A80.9Confident75.3Confident21 Ų2158.9 Ų58.917%0.17434%0.335CS..PPolyproline II helixtrans-75.9123179.500000109.7Y170 A217Y170-A172 PolarHBondContact O-N 3.46Å; A172-A217 HydrophobicContact CB-CB 3.66Å; A172-A217 VanDerWaalsContact CB-O 3.25Å; A172-A217 WeakPolarHBondContact CB-O 3.07Å; A172-A217 PolarHBondContact N-O 3.43Å
173N72.1Confident75.9Confident76 Ų7661 Ų6141%0.40635%0.348SS..PPolyproline II helixtrans-82.5150.3167.1-159.28.6000109.2E171 D175 S180E171-N173 PolarHBondContact O-N 2.82Å; N173-D175 PolarHBondContact O-N 3.01Å; N173-D175 VanDerWaalsContact O-O 3.1Å; N173-S180 PolarHBondContact ND2-OG 3.11Å
174G62.5Low76.4Confident59 Ų5961.9 Ų61.961%0.60835%0.353SS*.SBendtrans-59-8.6-170.300000116.2
175D58.9Low76.8Confident105 Ų10559.7 Ų59.756%0.56135%0.346SS*.SBendtrans-92144.3176-63.6-32.3000111.5R128 N173 S177R128-D175 PolarHBondContact NH1-O 2.97Å; R128-D175 PolarHBondContact NH2-O 2.99Å; N173-D175 PolarHBondContact O-N 3.01Å; N173-D175 VanDerWaalsContact O-O 3.1Å; D175-S177 WeakPolarHBondContact CB-OG 3.23Å; D175-S177 PolarHBondContact O-N 2.85Å
176N57.6Low77.1Confident127 Ų12763.3 Ų63.368%0.67937%0.372SS*.SBendtrans-68.83.6172.9-77.7-11.8000113.4R128R128-N176 PolarHBondContact NH1-OD1 2.95Å
177S51.7Low77.2Confident62 Ų6266.9 Ų66.943%0.43439%0.386SS..  trans-92.2125.9178.350.30000112D175 S179D175-S177 WeakPolarHBondContact CB-OG 3.23Å; D175-S177 PolarHBondContact O-N 2.85Å; S177-S179 PolarHBondContact O-N 3.49Å
178T53.2Low77.1Confident74 Ų7472.8 Ų72.845%0.45442%0.418SS..THydrogen-bonded Turntrans-67.73.6-177.548.10000115.6I121I121-T178 HydrophobicContact CG2-CG2 4.3Å
179S51.6Low77Confident106 Ų10669.2 Ų69.274%0.74140%0.403SS*.THydrogen-bonded Turntrans-88.7-7.6-166.748.10000115.3S177S177-S179 PolarHBondContact O-N 3.49Å
180S57.8Low76.7Confident64 Ų6472.6 Ų72.645%0.44843%0.426SS..SBendtrans-135.724.4-179.499.60000115.3N173 R182N173-S180 PolarHBondContact ND2-OG 3.11Å; S180-R182 PolarHBondContact O-N 3.3Å
181S74.9Confident76.4Confident27 Ų2771.2 Ų71.219%0.18942%0.424CS..PPolyproline II helixtrans-75.6122.9177.260.60000110.8E171E171-S181 WeakPolarHBondContact O-CA 3.47Å
182R83.9Confident76.1Confident153 Ų15372.9 Ų72.958%0.57744%0.441SS*.EExtended strand (participates in β ladder)trans-79.3128.1179.4178-176.6175178.2-0.7109.7Y170 E171 S180Y170-R182 CarbonylContact C-O 3.56Å; Y170-R182 VanDerWaalsContact CA-O 3.23Å; Y170-R182 WeakPolarHBondContact CA-O 3.29Å; E171-R182 HydrophobicContact CB-CB 4.24Å; E171-R182 PolarHBondContact N-O 2.86Å; S180-R182 PolarHBondContact O-N 3.3Å
183P88.8Confident76.4Confident94 Ų9478.8 Ų78.861%0.6147%0.465SS*.EExtended strand (participates in β ladder)trans-67.2139.2176.828.5-34000110.9Y170Y170-P183 HydrophobicContact CD1-CB 3.97Å; Y170-P183 HydrophobicContact CE1-CB 3.98Å
184L91.6Very high77.2Confident41 Ų4178.1 Ų78.122%0.21547%0.466CS..EExtended strand (participates in β ladder)trans-109-58.2178-63.6173.1000110.7V169 E171 V201 A204 L218V169-L184 HydrophobicContact CG1-CD1 4.34Å; V169-L184 PolarHBondContact O-N 3.39Å; E171-L184 HydrophobicContact CB-CD1 4.14Å; E171-L184 HydrophobicContact CB-CD2 4.23Å; E171-L184 HydrophobicContact CB-CG 4.24Å; L184-V201 HydrophobicContact CD1-CB 4.28Å; L184-V201 HydrophobicContact CD1-CG1 4.05Å; L184-A204 HydrophobicContact CD1-CB 3.52Å; L184-A204 HydrophobicContact CD2-CB 3.82Å; L184-A204 HydrophobicContact CG-CB 4.31Å; L184-L218 HydrophobicContact CD1-CD2 3.76Å
185D93.6Very high78.6Confident55 Ų5577.6 Ų77.629%0.29445%0.451SS..EExtended strand (participates in β ladder)trans-151160.7-175.2-162.39.9000111.4V169 F199 D200V169-D185 PolarHBondContact N-O 2.8Å; V169-D185 PolarHBondContact O-N 3.34Å; D185-F199 HydrophobicContact CB-CB 4.33Å; D185-F199 HydrophobicContact CB-CD1 4.46Å; D185-F199 WeakPolarHBondContact OD2-CA 3.21Å; D185-D200 PolarHBondContact OD2-N 3.41Å
186S93.1Very high80.2Confident79 Ų7977.7 Ų77.755%0.55244%0.444SS*.EExtended strand (participates in β ladder)trans-152.7135.8177.762.50000112.4V167V167-S186 CarbonylContact O-C 3.57Å; V167-S186 WeakPolarHBondContact O-CA 3.15Å
187E92.1Very high81.9Confident87 Ų8772 Ų7241%0.40741%0.414SS..EExtended strand (participates in β ladder)trans-141.8142.6-179.3-166.1178.8-177.300111.1V167 F199V167-E187 PolarHBondContact N-O 3.49Å; V167-E187 PolarHBondContact O-N 2.79Å; E187-F199 HydrophobicContact CB-CD1 4.39Å; E187-F199 HydrophobicContact CB-CE1 3.64Å; E187-F199 HydrophobicContact CB-CZ 4.28Å
188D89.9Confident84Confident126 Ų12671.7 Ų71.767%0.67441%0.41SS*.EExtended strand (participates in β ladder)trans-91.399.6171.3-71.8-28.9000109.7A166A166-D188 VanDerWaalsContact CB-OD1 3.23Å; A166-D188 WeakPolarHBondContact CB-OD1 3.12Å
189V89.2Confident86Confident9 Ų968.1 Ų68.16%0.05539%0.388CS..EExtended strand (participates in β ladder)trans-82.1123.5-178.3-173.90000109.2F150 K164 A165 V167 T195 A197 L237F150-V189 HydrophobicContact CD2-CG1 4.39Å; F150-V189 HydrophobicContact CE2-CG2 4.38Å; F150-V189 HydrophobicContact CG-CG1 4.49Å; K164-V189 CarbonylContact C-O 3.55Å; K164-V189 VanDerWaalsContact CA-O 3.27Å; K164-V189 WeakPolarHBondContact CA-O 3.35Å; A165-V189 PolarHBondContact N-O 3.35Å; A165-V189 PolarHBondContact O-N 2.8Å; V167-V189 HydrophobicContact CG2-CG2 3.94Å; V189-T195 HydrophobicContact CG1-CG2 3.75Å; V189-A197 HydrophobicContact CG1-CB 4.5Å; V189-A197 HydrophobicContact CG2-CB 3.76Å; V189-L237 HydrophobicContact CB-CD1 4.24Å; V189-L237 HydrophobicContact CG1-CD1 3.73Å
190S87.4Confident88.1Confident71 Ų7167.3 Ų67.350%0.49738%0.375SS..EExtended strand (participates in β ladder)trans-129.4119.3176.2-630000110.7F163 K164F163-S190 CarbonylContact O-C 3.54Å; F163-S190 VanDerWaalsContact O-CA 3.29Å; F163-S190 WeakPolarHBondContact O-CA 3.29Å; K164-S190 WeakPolarHBondContact CG-OG 3.38Å
191A84.9Confident89.9Confident16 Ų1664.3 Ų64.313%0.13235%0.354CS..EExtended strand (participates in β ladder)trans-149.2149.4-178.900000112.5F163 Q193 T195 L237F163-A191 WeakPolarHBondContact CA-O 3.4Å; F163-A191 WeakPolarHBondContact CB-O 3.31Å; F163-A191 WeakPolarHBondContact CD2-O 3.4Å; F163-A191 PolarHBondContact N-O 3.37Å; F163-A191 PolarHBondContact O-N 2.85Å; A191-Q193 VanDerWaalsContact CB-O 3.25Å; A191-Q193 WeakPolarHBondContact CB-O 3.34Å; A191-T195 HydrophobicContact CB-CG2 3.59Å; A191-L237 HydrophobicContact CB-CD1 4.49Å
192S83.6Confident90.8Very high78 Ų7863.5 Ų63.555%0.54535%0.348SS..SBendtrans-84.1-20.6173.758.30000112.9Q161Q161-S192 WeakPolarHBondContact O-CA 3.32Å; Q161-S192 WeakPolarHBondContact O-CB 3.21Å
193Q86.8Confident91.1Very high145 Ų14558.7 Ų58.768%0.67834%0.341SS*.SBendtrans-134.7-179.2-179.1-63.1-176.10.200109.4A191 T195A191-Q193 VanDerWaalsContact CB-O 3.25Å; A191-Q193 WeakPolarHBondContact CB-O 3.34Å; Q193-T195 PolarHBondContact O-N 3.4Å
194S88.7Confident91.2Very high63 Ų6354.2 Ų54.244%0.44131%0.312SS..  trans-60.9136.5173.255.90000111.8F150F150-S194 CarbonylContact O-C 3.42Å; F150-S194 WeakPolarHBondContact O-CA 3.22Å; F150-S194 WeakPolarHBondContact O-CB 3.47Å
195T91.4Very high91.2Very high47 Ų4752.3 Ų52.329%0.28830%0.302SS..EExtended strand (participates in β ladder)trans-140.7155.8-175.9-167.50000111.4F150 V189 A191 Q193F150-T195 HydrophobicContact CB-CG2 4.31Å; F150-T195 PolarHBondContact N-O 3.17Å; F150-T195 PolarHBondContact O-N 2.82Å; V189-T195 HydrophobicContact CG1-CG2 3.75Å; A191-T195 HydrophobicContact CB-CG2 3.59Å; Q193-T195 PolarHBondContact O-N 3.4Å
196W92.2Very high91Very high107 Ų10754.1 Ų54.141%0.40531%0.305SS..EExtended strand (participates in β ladder)trans-90.3144.9165.3-7093.4000109.9Q147 L148 F149 D246Q147-W196 HydrophobicContact CB-CE3 4.09Å; Q147-W196 HydrophobicContact CB-CZ3 4.22Å; L148-W196 VanDerWaalsContact C-CE3 3.49Å; L148-W196 WeakPolarHBondContact O-CA 3.2Å; F149-W196 HydrophobicContact CB-CD2 4.21Å; F149-W196 HydrophobicContact CB-CE3 3.99Å; F149-W196 HydrophobicContact CB-CH2 3.84Å; F149-W196 HydrophobicContact CB-CZ2 4.05Å; F149-W196 HydrophobicContact CB-CZ3 3.81Å; F149-W196 AromaticContact CD2-CD2 3.89Å; F149-W196 HydrophobicContact CD2-CD2 3.89Å; F149-W196 AromaticContact CD2-CE2 3.52Å; F149-W196 HydrophobicContact CD2-CG 4.19Å; F149-W196 AromaticContact CD2-CZ2 3.87Å; F149-W196 HydrophobicContact CD2-CZ2 3.87Å; F149-W196 AromaticContact CD2-NE1 3.59Å; F149-W196 AromaticContact CE2-NE1 3.96Å; F149-W196 HydrophobicContact CG-CZ2 4.26Å; W196-D246 WeakPolarHBondContact CZ2-O 3.49Å
197A93.7Very high90.6Very high7 Ų752.5 Ų52.56%0.05829%0.294CS..EExtended strand (participates in β ladder)trans-128.3151.7165.500000109.6L148 F150 V189 F199L148-A197 PolarHBondContact N-O 2.93Å; L148-A197 PolarHBondContact O-N 3.25Å; F150-A197 HydrophobicContact CD2-CB 4.06Å; F150-A197 HydrophobicContact CE2-CB 3.77Å; V189-A197 HydrophobicContact CG1-CB 4.5Å; V189-A197 HydrophobicContact CG2-CB 3.76Å; A197-F199 HydrophobicContact CB-CE2 3.82Å; A197-F199 HydrophobicContact CB-CZ 4.04Å
198T94.9Very high90.2Very high56 Ų5648.9 Ų48.934%0.34428%0.28SS..EExtended strand (participates in β ladder)trans-126.2131.1-171.7-53.50000109.5E145 L146 Q147E145-T198 HydrophobicContact CB-CG2 3.69Å; E145-T198 HydrophobicContact CG-CG2 4.02Å; L146-T198 CarbonylContact O-C 3.43Å; L146-T198 WeakPolarHBondContact O-CA 3.34Å; Q147-T198 HydrophobicContact CG-CG2 4.32Å
199F96Very high89.9Confident0 Ų045.5 Ų45.50%026%0.264CS..EExtended strand (participates in β ladder)trans-123.5136-175.6-59.5-90.3000110.7E145 L146 L148 F150 V167 V169 D185 E187 A197 V201E145-F199 CarbonylContact C-O 3.54Å; E145-F199 WeakPolarHBondContact CA-O 3.46Å; L146-F199 HydrophobicContact CB-CB 4.38Å; L146-F199 PolarHBondContact N-O 3.41Å; L146-F199 PolarHBondContact O-N 3.29Å; L148-F199 HydrophobicContact CB-CE2 4.31Å; L148-F199 HydrophobicContact CD1-CD2 3.91Å; L148-F199 HydrophobicContact CD1-CE2 3.72Å; L148-F199 HydrophobicContact CG-CD2 4.26Å; L148-F199 HydrophobicContact CG-CE2 4.21Å; F150-F199 HydrophobicContact CE2-CE2 4.28Å; F150-F199 HydrophobicContact CZ-CE2 4.47Å; V167-F199 HydrophobicContact CB-CE1 3.92Å; V167-F199 HydrophobicContact CB-CZ 3.67Å; V167-F199 HydrophobicContact CG1-CE1 3.83Å; V167-F199 HydrophobicContact CG1-CE2 4.17Å; V167-F199 HydrophobicContact CG1-CZ 3.47Å; V167-F199 VanDerWaalsContact CG1-CZ 3.47Å; V167-F199 HydrophobicContact CG2-CZ 4.34Å; V169-F199 HydrophobicContact CG2-CB 3.84Å; V169-F199 HydrophobicContact CG2-CD1 3.65Å; V169-F199 HydrophobicContact CG2-CD2 4.16Å; V169-F199 HydrophobicContact CG2-CE1 4.25Å; V169-F199 HydrophobicContact CG2-CG 3.6Å; D185-F199 HydrophobicContact CB-CB 4.33Å; D185-F199 HydrophobicContact CB-CD1 4.46Å; D185-F199 WeakPolarHBondContact OD2-CA 3.21Å; E187-F199 HydrophobicContact CB-CD1 4.39Å; E187-F199 HydrophobicContact CB-CE1 3.64Å; E187-F199 HydrophobicContact CB-CZ 4.28Å; A197-F199 HydrophobicContact CB-CE2 3.82Å; A197-F199 HydrophobicContact CB-CZ 4.04Å; F199-V201 PolarHBondContact O-N 2.83Å
200D95.5Very high89.5Confident88 Ų8852.4 Ų52.447%0.47130%0.295SS..EExtended strand (participates in β ladder)trans-76.1116.8176-172.7-11.9000110.3D185 T202D185-D200 PolarHBondContact OD2-N 3.41Å; D200-T202 WeakPolarHBondContact OD1-CB 3.46Å; D200-T202 PolarHBondContact OD1-N 2.94Å; D200-T202 PolarHBondContact OD1-OG1 2.81Å
201V94.9Very high88.9Confident1 Ų152.7 Ų52.71%0.00630%0.297CS..  trans-12115.1178.1-640000112.1A144 L146 V169 L184 F199 A203 A204 I205 L218 L251A144-V201 HydrophobicContact CB-CG2 4.2Å; A144-V201 WeakPolarHBondContact O-CG2 3.48Å; A144-V201 PolarHBondContact O-N 2.85Å; L146-V201 HydrophobicContact CB-CG1 3.93Å; L146-V201 HydrophobicContact CB-CG2 4.02Å; L146-V201 HydrophobicContact CD2-CG1 4.48Å; V169-V201 HydrophobicContact CG1-CG1 3.86Å; L184-V201 HydrophobicContact CD1-CB 4.28Å; L184-V201 HydrophobicContact CD1-CG1 4.05Å; F199-V201 PolarHBondContact O-N 2.83Å; V201-A203 VanDerWaalsContact C-N 3.28Å; V201-A203 PolarHBondContact O-N 2.84Å; V201-A203 VanDerWaalsContact O-N 3.17Å; V201-A204 PolarHBondContact O-N 2.82Å; V201-A204 VanDerWaalsContact O-N 3.09Å; V201-I205 HydrophobicContact CG2-CD1 4.39Å; V201-I205 HydrophobicContact CG2-CG1 4Å; V201-I205 WeakPolarHBondContact O-CG1 3.28Å; V201-I205 PolarHBondContact O-N 2.88Å; V201-I205 VanDerWaalsContact O-N 3.12Å; V201-L218 HydrophobicContact CB-CD1 4.31Å; V201-L218 HydrophobicContact CB-CD2 4.45Å; V201-L218 HydrophobicContact CG1-CD1 4.12Å; V201-L218 HydrophobicContact CG1-CD2 4.36Å; V201-L218 HydrophobicContact CG2-CD1 4.27Å; V201-L251 HydrophobicContact CG2-CD1 3.5Å
202T93.9Very high88.1Confident11 Ų1155.2 Ų55.27%0.06733%0.325CS..Hα-helixtrans-50.3-45.6-174.6-570000112.6I142 T143 A144 D200 A204 I205 R206I142-T202 VanDerWaalsContact O-CG2 3.32Å; I142-T202 WeakPolarHBondContact O-CG2 3.5Å; T143-T202 WeakPolarHBondContact CA-OG1 3.31Å; A144-T202 PolarHBondContact N-OG1 2.88Å; A144-T202 PolarHBondContact O-N 2.79Å; A144-T202 PolarHBondContact O-OG1 2.87Å; D200-T202 WeakPolarHBondContact OD1-CB 3.46Å; D200-T202 PolarHBondContact OD1-N 2.94Å; D200-T202 PolarHBondContact OD1-OG1 2.81Å; T202-A204 PolarHBondContact O-N 2.83Å; T202-I205 PolarHBondContact O-N 3.11Å; T202-R206 WeakPolarHBondContact O-CB 3.39Å; T202-R206 PolarHBondContact O-N 3.03Å
203A90.9Very high87.3Confident51 Ų5159.5 Ų59.542%0.42133%0.329SS..Hα-helixtrans-62.9-41.9-177.500000112.7V201 S207V201-A203 VanDerWaalsContact C-N 3.28Å; V201-A203 PolarHBondContact O-N 2.84Å; V201-A203 VanDerWaalsContact O-N 3.17Å; A203-S207 VanDerWaalsContact O-CB 3.29Å; A203-S207 WeakPolarHBondContact O-CB 3.43Å; A203-S207 PolarHBondContact O-N 3.48Å; A203-S207 VanDerWaalsContact O-N 3.09Å
204A90.3Very high85.9Confident1 Ų154.6 Ų54.61%0.00832%0.318CS..Hα-helixtrans-70.2-43.7179.500000111.8E171 L184 V201 T202 R206 S207 G208 L218E171-A204 HydrophobicContact CB-CB 4.22Å; E171-A204 HydrophobicContact CG-CB 3.95Å; L184-A204 HydrophobicContact CD1-CB 3.52Å; L184-A204 HydrophobicContact CD2-CB 3.82Å; L184-A204 HydrophobicContact CG-CB 4.31Å; V201-A204 PolarHBondContact O-N 2.82Å; V201-A204 VanDerWaalsContact O-N 3.09Å; T202-A204 PolarHBondContact O-N 2.83Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.78Å; A204-S207 PolarHBondContact O-N 2.98Å; A204-G208 PolarHBondContact O-N 2.94Å; A204-L218 HydrophobicContact CB-CD2 4.18Å
205I91.9Very high84.6Confident0 Ų055.1 Ų55.10%033%0.325CS..Hα-helixtrans-64.3-41.4179.5-56.7-45.7000110.8V133 I141 A144 V201 T202 G208 T209 T216 L251 I253V133-I205 HydrophobicContact CG1-CG2 4.21Å; I141-I205 HydrophobicContact CD1-CG2 3.86Å; A144-I205 HydrophobicContact CB-CB 4Å; A144-I205 HydrophobicContact CB-CG1 3.64Å; A144-I205 HydrophobicContact CB-CG2 4.37Å; V201-I205 HydrophobicContact CG2-CD1 4.39Å; V201-I205 HydrophobicContact CG2-CG1 4Å; V201-I205 WeakPolarHBondContact O-CG1 3.28Å; V201-I205 PolarHBondContact O-N 2.88Å; V201-I205 VanDerWaalsContact O-N 3.12Å; T202-I205 PolarHBondContact O-N 3.11Å; I205-G208 PolarHBondContact O-N 3.41Å; I205-T209 WeakPolarHBondContact O-CB 3.38Å; I205-T209 PolarHBondContact O-N 3.35Å; I205-T209 PolarHBondContact O-OG1 2.94Å; I205-T216 HydrophobicContact CD1-CG2 3.47Å; I205-T216 VanDerWaalsContact CD1-CG2 3.47Å; I205-L251 HydrophobicContact CD1-CD1 4.29Å; I205-L251 HydrophobicContact CD1-CD2 3.7Å; I205-L251 HydrophobicContact CG1-CD1 4.28Å; I205-L251 HydrophobicContact CG1-CD2 4.2Å; I205-I253 HydrophobicContact CG2-CD1 3.77Å
206R90Very high84.1Confident94 Ų9453.4 Ų53.436%0.35532%0.315SS..Hα-helixtrans-62-50.2176.6-170.3178.5-65.4139.91.8111.4I141 I142 T202 A204 G208 T209 E210I141-R206 PolarHBondContact O-NH2 3.25Å; I142-R206 PolarHBondContact O-NH2 2.94Å; I142-R206 VanDerWaalsContact O-NH2 3.17Å; T202-R206 WeakPolarHBondContact O-CB 3.39Å; T202-R206 PolarHBondContact O-N 3.03Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.78Å; R206-G208 PolarHBondContact O-N 3.39Å; R206-T209 PolarHBondContact O-N 3.26Å; R206-E210 WeakPolarHBondContact O-CG 3.19Å; R206-E210 PolarHBondContact O-N 3.24Å
207S85.3Confident83.9Confident45 Ų4549.7 Ų49.732%0.31531%0.307SS..Hα-helixtrans-56.7-45.4176.2174.90000112.7A203 A204 S211A203-S207 VanDerWaalsContact O-CB 3.29Å; A203-S207 WeakPolarHBondContact O-CB 3.43Å; A203-S207 PolarHBondContact O-N 3.48Å; A203-S207 VanDerWaalsContact O-N 3.09Å; A204-S207 PolarHBondContact O-N 2.98Å; S207-S211 WeakPolarHBondContact O-CB 3.06Å; S207-S211 PolarHBondContact O-N 2.91Å; S207-S211 VanDerWaalsContact O-N 3.07Å; S207-S211 PolarHBondContact O-OG 3.24Å
208G83Confident83.8Confident11 Ų1149.3 Ų49.311%0.11330%0.304CS..Hα-helixtrans-65-41.3179.200000113.2A204 I205 R206 S211 G212 R213A204-G208 PolarHBondContact O-N 2.94Å; I205-G208 PolarHBondContact O-N 3.41Å; R206-G208 PolarHBondContact O-N 3.39Å; G208-S211 PolarHBondContact O-N 3.25Å; G208-G212 PolarHBondContact O-N 3.33Å; G208-R213 PolarHBondContact O-N 3.42Å
209T83.5Confident83.6Confident55 Ų5547.6 Ų47.634%0.33729%0.293SS..Hα-helixtrans-67.5-43.5179-50.80000111.3I141 I205 R206 S211 G212I141-T209 HydrophobicContact CD1-CG2 4.47Å; I205-T209 WeakPolarHBondContact O-CB 3.38Å; I205-T209 PolarHBondContact O-N 3.35Å; I205-T209 PolarHBondContact O-OG1 2.94Å; R206-T209 PolarHBondContact O-N 3.26Å; T209-S211 VanDerWaalsContact C-N 3.29Å; T209-S211 PolarHBondContact O-N 2.92Å; T209-G212 PolarHBondContact O-N 3.22Å
210E80Confident83.5Confident154 Ų15447.7 Ų47.772%0.7229%0.293SS*.Hα-helixtrans-64.1-34176.4-72.7174.1-176.300112.5R206 G212R206-E210 WeakPolarHBondContact O-CG 3.19Å; R206-E210 PolarHBondContact O-N 3.24Å; E210-G212 PolarHBondContact O-N 3.42Å
211S75.6Confident83.2Confident77 Ų7744 Ų4454%0.53828%0.276SS..THydrogen-bonded Turntrans-77.8-2.6179.1-59.60000113.7S207 G208 T209 R213S207-S211 WeakPolarHBondContact O-CB 3.06Å; S207-S211 PolarHBondContact O-N 2.91Å; S207-S211 VanDerWaalsContact O-N 3.07Å; S207-S211 PolarHBondContact O-OG 3.24Å; G208-S211 PolarHBondContact O-N 3.25Å; T209-S211 VanDerWaalsContact C-N 3.29Å; T209-S211 PolarHBondContact O-N 2.92Å; S211-R213 PolarHBondContact O-N 3.31Å
212G69.3Low83Confident69 Ų6944 Ų4471%0.71128%0.276SS*.THydrogen-bonded Turntrans67.913.3-17800000114.4G208 T209 E210 G214G208-G212 PolarHBondContact O-N 3.33Å; T209-G212 PolarHBondContact O-N 3.22Å; E210-G212 PolarHBondContact O-N 3.42Å; G212-G214 PolarHBondContact O-N 2.84Å
213R65.8Low82.6Confident167 Ų16746.1 Ų46.163%0.6329%0.286SS*.  trans-85.990.5175.4-66.5-174.1-175.1-154.12.3107.8G208 S211 A215G208-R213 PolarHBondContact O-N 3.42Å; S211-R213 PolarHBondContact O-N 3.31Å; R213-A215 PolarHBondContact O-N 3.38Å; R213-A215 VanDerWaalsContact O-N 3.1Å
214G56.9Low81.8Confident43 Ų4346.4 Ų46.444%0.44328%0.276SS..  trans-62.6-13.7-177.100000115.6V133 G212V133-G214 PolarHBondContact N-O 3Å; V133-G214 VanDerWaalsContact N-O 3.08Å; G212-G214 PolarHBondContact O-N 2.84Å
215A62.2Low80.7Confident73 Ų7351 Ų5160%0.60330%0.298SS*.EExtended strand (participates in β ladder)trans-101.6112.717100000109.7F131 R213F131-A215 WeakPolarHBondContact O-CA 3.5Å; R213-A215 PolarHBondContact O-N 3.38Å; R213-A215 VanDerWaalsContact O-N 3.1Å
216T80.9Confident79.3Confident12 Ų1254.2 Ų54.27%0.07432%0.324CS..EExtended strand (participates in β ladder)trans-98.2117.8174.5-49.80000108.8F131 I205F131-T216 PolarHBondContact N-O 3.16Å; F131-T216 PolarHBondContact O-N 3.07Å; I205-T216 HydrophobicContact CD1-CG2 3.47Å; I205-T216 VanDerWaalsContact CD1-CG2 3.47Å
217A88.6Confident78Confident28 Ų2850.2 Ų50.223%0.23131%0.31CS..EExtended strand (participates in β ladder)trans-101137.5175.400000110.2R128 L129 A172R128-A217 HydrophobicContact CG-CB 4.42Å; L129-A217 CarbonylContact O-C 3.49Å; L129-A217 VanDerWaalsContact O-CA 3.31Å; L129-A217 WeakPolarHBondContact O-CA 3.24Å; A172-A217 HydrophobicContact CB-CB 3.66Å; A172-A217 VanDerWaalsContact CB-O 3.25Å; A172-A217 WeakPolarHBondContact CB-O 3.07Å; A172-A217 PolarHBondContact N-O 3.43Å
218L91.3Very high76.9Confident0 Ų054 Ų540%033%0.327CS..EExtended strand (participates in β ladder)trans-125.2130.8178.5-63.6171000109R128 L129 F131 L146 L184 V201 A204R128-L218 WeakPolarHBondContact CA-O 3.22Å; L129-L218 PolarHBondContact N-O 2.87Å; L129-L218 PolarHBondContact O-N 3.3Å; F131-L218 HydrophobicContact CD2-CD1 4.3Å; F131-L218 HydrophobicContact CE2-CD1 4.04Å; L146-L218 HydrophobicContact CD1-CD1 4.32Å; L146-L218 HydrophobicContact CD2-CD1 4.13Å; L184-L218 HydrophobicContact CD1-CD2 3.76Å; V201-L218 HydrophobicContact CB-CD1 4.31Å; V201-L218 HydrophobicContact CB-CD2 4.45Å; V201-L218 HydrophobicContact CG1-CD1 4.12Å; V201-L218 HydrophobicContact CG1-CD2 4.36Å; V201-L218 HydrophobicContact CG2-CD1 4.27Å; A204-L218 HydrophobicContact CB-CD2 4.18Å
219D91Very high75.6Confident20 Ų2061.9 Ų61.911%0.10735%0.354CS..EExtended strand (participates in β ladder)trans-98.4126176.5-73.6-17.7000109.1F127 R128 V169 Y170F127-D219 CarbonylContact O-C 3.52Å; F127-D219 WeakPolarHBondContact O-CA 3.36Å; R128-D219 VanDerWaalsContact CB-OD1 3.28Å; R128-D219 WeakPolarHBondContact CB-OD1 2.84Å; R128-D219 WeakPolarHBondContact CG-OD1 3.31Å; R128-D219 IonicContact CZ-OD1 3.52Å; R128-D219 IonicContact CZ-OD2 3.71Å; R128-D219 IonicContact NE-OD1 2.75Å; R128-D219 PolarHBondContact NE-OD1 2.96Å; R128-D219 IonicContact NE-OD2 3.71Å; R128-D219 IonicContact NH2-OD1 3.43Å; R128-D219 PolarHBondContact NH2-OD1 2.87Å; R128-D219 IonicContact NH2-OD2 2.85Å; R128-D219 PolarHBondContact NH2-OD2 2.96Å; V169-D219 CarbonylContact C-O 3.56Å; Y170-D219 PolarHBondContact N-O 2.87Å; Y170-D219 PolarHBondContact O-N 3.46Å
220V92.3Very high74.3Confident1 Ų161.2 Ų61.21%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-115.6124.8179.4-176.10000108.8R126 F127 L129 L146 L148 V167 V169 V222 M239R126-V220 CarbonylContact C-O 3.53Å; R126-V220 VanDerWaalsContact CA-O 3.26Å; R126-V220 WeakPolarHBondContact CA-O 3.37Å; F127-V220 PolarHBondContact N-O 2.88Å; F127-V220 PolarHBondContact O-N 3.13Å; L129-V220 HydrophobicContact CD1-CG2 3.74Å; L129-V220 HydrophobicContact CG-CG2 4.27Å; L146-V220 HydrophobicContact CD2-CG2 4.2Å; L148-V220 HydrophobicContact CD1-CG1 3.84Å; L148-V220 HydrophobicContact CD1-CG2 4.05Å; V167-V220 HydrophobicContact CG1-CG1 3.77Å; V169-V220 HydrophobicContact CG2-CG2 4.42Å; V220-V222 HydrophobicContact CG1-CG2 4.36Å; V220-M239 HydrophobicContact CB-SD 4.27Å; V220-M239 HydrophobicContact CG1-SD 3.82Å
221A90.7Very high72.9Confident12 Ų1263.1 Ų63.110%0.09936%0.362CS..EExtended strand (participates in β ladder)trans-108.9124.9172.600000110S125 R126 V167 K168 Y170S125-A221 WeakPolarHBondContact O-CA 3.46Å; R126-A221 HydrophobicContact CG-CB 3.9Å; V167-A221 WeakPolarHBondContact CA-O 3.45Å; K168-A221 PolarHBondContact N-O 3Å; K168-A221 PolarHBondContact O-N 3.48Å; Y170-A221 HydrophobicContact CE2-CB 3.93Å
222V89.6Confident71.7Confident1 Ų168.6 Ų68.61%0.00638%0.379CS..EExtended strand (participates in β ladder)trans-106.494.1177.3-174.90000108.1S125 F127 F150 A165 V220 R224 M239S125-V222 WeakPolarHBondContact CB-O 3.43Å; S125-V222 PolarHBondContact O-N 2.81Å; S125-V222 PolarHBondContact OG-O 2.76Å; F127-V222 HydrophobicContact CD2-CG2 4.27Å; F127-V222 HydrophobicContact CE2-CG2 4Å; F150-V222 HydrophobicContact CE1-CG2 4.37Å; A165-V222 HydrophobicContact CB-CG1 3.9Å; V220-V222 HydrophobicContact CG1-CG2 4.36Å; V222-R224 PolarHBondContact O-N 3.2Å; V222-M239 HydrophobicContact CG2-CB 4.03Å; V222-M239 HydrophobicContact CG2-SD 4.47Å
223D84.9Confident70.9Confident54 Ų5467.5 Ų67.529%0.28937%0.368SS..EExtended strand (participates in β ladder)trans-74.9118.5179.5-170.8-4.6000110.4A166 E225A166-D223 HydrophobicContact CB-CB 4.17Å; A166-D223 PolarHBondContact N-O 2.97Å; A166-D223 WeakPolarHBondContact O-CB 3.5Å; A166-D223 PolarHBondContact O-N 3.34Å; D223-E225 VanDerWaalsContact OD1-CB 3.27Å; D223-E225 WeakPolarHBondContact OD1-CB 3.19Å; D223-E225 WeakPolarHBondContact OD1-CG 3.39Å; D223-E225 PolarHBondContact OD1-N 3.36Å
224R75.5Confident70.4Confident58 Ų5860.8 Ų60.822%0.21935%0.349CS..  trans-101.1-4.6178.9-62.6-175.6-177.6160.64.4112.6V222 A226 C227 D228 N238V222-R224 PolarHBondContact O-N 3.2Å; R224-A226 PolarHBondContact O-N 3.47Å; R224-A226 VanDerWaalsContact O-N 3.15Å; R224-C227 WeakPolarHBondContact O-CA 3.46Å; R224-C227 WeakPolarHBondContact O-CB 3.5Å; R224-C227 PolarHBondContact O-N 3.49Å; R224-D228 PolarHBondContact O-N 2.96Å; R224-N238 VanDerWaalsContact CZ-OD1 3.25Å; R224-N238 PolarHBondContact NH2-OD1 3.23Å
225E66.8Low71.1Confident98 Ų9858.8 Ų58.846%0.45833%0.328SS..Hα-helixtrans-59.2-32.4-177.6-71.8-167.6-170.700112.4D223 C227 R229D223-E225 VanDerWaalsContact OD1-CB 3.27Å; D223-E225 WeakPolarHBondContact OD1-CB 3.19Å; D223-E225 WeakPolarHBondContact OD1-CG 3.39Å; D223-E225 PolarHBondContact OD1-N 3.36Å; E225-C227 PolarHBondContact O-N 2.94Å; E225-R229 WeakPolarHBondContact O-CG 3.41Å; E225-R229 PolarHBondContact O-N 3Å; E225-R229 IonicContact OE2-CZ 3.25Å; E225-R229 VanDerWaalsContact OE2-CZ 3.25Å; E225-R229 IonicContact OE2-NH1 2.84Å; E225-R229 PolarHBondContact OE2-NH1 3.41Å; E225-R229 IonicContact OE2-NH2 2.83Å; E225-R229 PolarHBondContact OE2-NH2 3.32Å
226A61.6Low71.9Confident67 Ų6756 Ų5655%0.55430%0.304SS*.Hα-helixtrans-63.3-27.4175.500000112.9R224R224-A226 PolarHBondContact O-N 3.47Å; R224-A226 VanDerWaalsContact O-N 3.15Å
227C63.3Low72.1Confident9 Ų955.4 Ų55.46%0.06130%0.3CS..Hα-helixtrans-93.5-37.1178.2-60.30000112K164 R224 E225 R229 A230 C236K164-C227 PolarHBondContact O-SG 3.27Å; R224-C227 WeakPolarHBondContact O-CA 3.46Å; R224-C227 WeakPolarHBondContact O-CB 3.5Å; R224-C227 PolarHBondContact O-N 3.49Å; E225-C227 PolarHBondContact O-N 2.94Å; C227-R229 PolarHBondContact O-N 3.48Å; C227-A230 WeakPolarHBondContact O-CB 3.3Å; C227-A230 PolarHBondContact O-N 2.8Å; C227-A230 VanDerWaalsContact O-N 3.14Å; C227-C236 HydrophobicContact CB-CB 4.35Å; C227-C236 WeakPolarHBondContact CB-SG 3.4Å
228D61.6Low72Confident126 Ų12655 Ų5567%0.67429%0.294SS*.Hα-helixtrans-65.7-26.2178.3-68.8-25.8000112.7R224R224-D228 PolarHBondContact O-N 2.96Å
229R57.2Low71.9Confident176 Ų17655.4 Ų55.466%0.66430%0.296SS*.THydrogen-bonded Turntrans-92.3-4.4175.2-66-173.8-174.9114.67.7114.2E225 C227 E231E225-R229 WeakPolarHBondContact O-CG 3.41Å; E225-R229 PolarHBondContact O-N 3Å; E225-R229 IonicContact OE2-CZ 3.25Å; E225-R229 VanDerWaalsContact OE2-CZ 3.25Å; E225-R229 IonicContact OE2-NH1 2.84Å; E225-R229 PolarHBondContact OE2-NH1 3.41Å; E225-R229 IonicContact OE2-NH2 2.83Å; E225-R229 PolarHBondContact OE2-NH2 3.32Å; C227-R229 PolarHBondContact O-N 3.48Å; R229-E231 PolarHBondContact O-N 3.07Å
230A54.8Low71.9Confident40 Ų4055 Ų5533%0.33130%0.295SS..  trans-73.6101.5-178.300000109.5C227 E232 A234C227-A230 WeakPolarHBondContact O-CB 3.3Å; C227-A230 PolarHBondContact O-N 2.8Å; C227-A230 VanDerWaalsContact O-N 3.14Å; A230-E232 PolarHBondContact O-N 3.4Å; A230-A234 HydrophobicContact CB-CB 3.75Å
231E51.3Low71.7Confident194 Ų19457.4 Ų57.491%0.90732%0.315SS*.SBendtrans-62.4-11.1-171.7-76-168.7147.900115.3R229R229-E231 PolarHBondContact O-N 3.07Å
232E51Low71.4Confident192 Ų19257.9 Ų57.990%0.89732%0.318SS*.SBendtrans-163.6118172.3-108.6160.5-162.500110.7A230A230-E232 PolarHBondContact O-N 3.4Å
233G51.9Low71.2Confident47 Ų4761.1 Ų61.149%0.48534%0.337SS..SBendtrans88.614.3157.400000119.6S160S160-G233 VanDerWaalsContact CB-O 3.3Å; S160-G233 WeakPolarHBondContact CB-O 3.23Å; S160-G233 PolarHBondContact OG-O 2.9Å
234A56.1Low70.9Confident26 Ų2661.8 Ų61.822%0.21536%0.356CS..  trans-110.8129.2171.600000111.1S160 A230S160-A234 VanDerWaalsContact OG-C 3.28Å; A230-A234 HydrophobicContact CB-CB 3.75Å
235G71Confident71.2Confident1 Ų164.1 Ų64.11%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-97.8162.3176.100000112.5S160 F163 K164S160-G235 PolarHBondContact OG-N 2.72Å; F163-G235 CarbonylContact C-O 3.52Å; F163-G235 WeakPolarHBondContact CA-O 3.27Å; F163-G235 VanDerWaalsContact CD1-C 3.43Å; F163-G235 VanDerWaalsContact CD1-CA 3.42Å; K164-G235 PolarHBondContact N-O 3.4Å
236C78.3Confident71.9Confident14 Ų1466.8 Ų66.810%0.09539%0.391CS..EExtended strand (participates in β ladder)trans-87144.1178.2-59.30000112D153 C227D153-C236 HydrophobicContact CB-CB 4.15Å; D153-C236 WeakPolarHBondContact CB-O 3.48Å; D153-C236 PolarHBondContact N-O 3.08Å; C227-C236 HydrophobicContact CB-CB 4.35Å; C227-C236 WeakPolarHBondContact CB-SG 3.4Å
237L85.1Confident73.1Confident0 Ų065.2 Ų65.20%038%0.375CS..EExtended strand (participates in β ladder)trans-91.9139.3163.8-72.2172.6000111.1F150 F163 K164 A165 V189 A191F150-L237 HydrophobicContact CB-CB 4.41Å; F150-L237 HydrophobicContact CB-CD1 4.36Å; F150-L237 HydrophobicContact CB-CD2 4.5Å; F150-L237 HydrophobicContact CD1-CB 4.45Å; F163-L237 HydrophobicContact CB-CD1 4.45Å; F163-L237 HydrophobicContact CB-CD2 3.57Å; F163-L237 HydrophobicContact CB-CG 3.6Å; F163-L237 HydrophobicContact CG-CD2 4.36Å; K164-L237 PolarHBondContact O-N 3.09Å; K164-L237 VanDerWaalsContact O-N 3.13Å; A165-L237 HydrophobicContact CB-CB 3.89Å; V189-L237 HydrophobicContact CB-CD1 4.24Å; V189-L237 HydrophobicContact CG1-CD1 3.73Å; A191-L237 HydrophobicContact CB-CD1 4.49Å
238N87.3Confident74.4Confident20 Ų2065.4 Ų65.411%0.10738%0.378CS..EExtended strand (participates in β ladder)trans-104.1139.4170.7-71.4-25.8000109.9F150 F151 D153 R224F150-N238 CarbonylContact C-O 3.5Å; F150-N238 WeakPolarHBondContact CA-O 3.37Å; F151-N238 HydrophobicContact CD1-CB 4.39Å; F151-N238 WeakPolarHBondContact CD1-O 3.42Å; F151-N238 HydrophobicContact CD2-CB 4.12Å; F151-N238 HydrophobicContact CE1-CB 3.93Å; F151-N238 HydrophobicContact CE2-CB 3.65Å; F151-N238 HydrophobicContact CG-CB 4.47Å; F151-N238 HydrophobicContact CZ-CB 3.54Å; F151-N238 PolarHBondContact N-O 3.45Å; F151-N238 PolarHBondContact O-N 3.1Å; D153-N238 WeakPolarHBondContact CB-ND2 3.29Å; D153-N238 VanDerWaalsContact CG-ND2 3.27Å; D153-N238 PolarHBondContact OD1-ND2 3.02Å; R224-N238 VanDerWaalsContact CZ-OD1 3.25Å; R224-N238 PolarHBondContact NH2-OD1 3.23Å
239M89.9Confident75.9Confident8 Ų859.6 Ų59.64%0.03935%0.348CS..EExtended strand (participates in β ladder)trans-82.2139.2169-169.9-169.881.200109.7F127 L129 L148 F150 V220 V222 A241F127-M239 HydrophobicContact CB-CE 3.54Å; F127-M239 HydrophobicContact CD1-CE 3.77Å; F127-M239 HydrophobicContact CD2-CE 3.39Å; F127-M239 HydrophobicContact CD2-SD 4.16Å; F127-M239 HydrophobicContact CE1-CE 4.31Å; F127-M239 HydrophobicContact CE2-CB 4.37Å; F127-M239 HydrophobicContact CE2-CE 3.99Å; F127-M239 HydrophobicContact CG-CE 3.27Å; F127-M239 HydrophobicContact CZ-CE 4.41Å; L129-M239 HydrophobicContact CD2-CE 4.36Å; L148-M239 HydrophobicContact CB-CG 4.45Å; L148-M239 HydrophobicContact CD1-SD 3.87Å; L148-M239 HydrophobicContact CD2-SD 4.11Å; L148-M239 HydrophobicContact CG-SD 4.43Å; F150-M239 HydrophobicContact CD1-CB 4.1Å; F150-M239 HydrophobicContact CE1-CB 3.75Å; F150-M239 HydrophobicContact CE1-CG 4Å; F150-M239 HydrophobicContact CZ-CB 4.42Å; F150-M239 HydrophobicContact CZ-CG 4.18Å; V220-M239 HydrophobicContact CB-SD 4.27Å; V220-M239 HydrophobicContact CG1-SD 3.82Å; V222-M239 HydrophobicContact CG2-CB 4.03Å; V222-M239 HydrophobicContact CG2-SD 4.47Å; M239-A241 PolarHBondContact O-N 3.12Å
240S89.9Confident77.6Confident11 Ų1151.9 Ų51.98%0.07732%0.321CS..  trans-65.3130.8169.4-170.70000110.9F149 S242 S247F149-S240 PolarHBondContact O-N 3.47Å; S240-S242 PolarHBondContact OG-N 3.46Å; S240-S242 PolarHBondContact OG-OG 3.09Å; S240-S247 WeakPolarHBondContact CB-O 3.31Å; S240-S247 PolarHBondContact OG-O 3.32Å; S240-S247 PolarHBondContact OG-OG 2.99Å
241A87.9Confident79.5Confident52 Ų5250 Ų5043%0.4331%0.306SS..  trans-111.519.617200000111.5V118 F127 M239V118-A241 HydrophobicContact CB-CB 4.46Å; V118-A241 HydrophobicContact CG1-CB 3.76Å; F127-A241 HydrophobicContact CD1-CB 4.41Å; F127-A241 HydrophobicContact CE1-CB 4.25Å; M239-A241 PolarHBondContact O-N 3.12Å
242S84.7Confident81.6Confident22 Ų2240.8 Ų40.815%0.15426%0.263CS..  trans-69.6152.8175.561.90000111.4S240 S247 A248S240-S242 PolarHBondContact OG-N 3.46Å; S240-S242 PolarHBondContact OG-OG 3.09Å; S242-S247 VanDerWaalsContact OG-C 3.28Å; S242-S247 PolarHBondContact OG-O 2.93Å; S242-S247 PolarHBondContact OG-OG 3.16Å; S242-A248 WeakPolarHBondContact O-CB 3.4Å; S242-A248 WeakPolarHBondContact OG-CA 3.44Å; S242-A248 PolarHBondContact OG-N 2.94Å
243V86.2Confident83.6Confident69 Ų6931.6 Ų31.642%0.41822%0.22SC..SBendtrans-125.6120.4176.8178.20000107.7V115 V118 D245V115-V243 HydrophobicContact CG1-CG2 4.46Å; V118-V243 HydrophobicContact CG2-CG2 3.95Å; V243-D245 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 2.86Å
244G77.3Confident85.6Confident67 Ų6729.9 Ų29.969%0.69120%0.199SC*.SBendtrans82.9-0.2176.200000116.4
245D82.2Confident87.4Confident107 Ų10728.7 Ų28.757%0.57219%0.189SC*.SBendtrans-93.5170.4173.5-60.6-32.4000111.9V243 S247 A248V243-D245 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 2.86Å; D245-S247 PolarHBondContact O-N 2.86Å; D245-S247 VanDerWaalsContact O-N 3.09Å; D245-A248 WeakPolarHBondContact O-CB 3.49Å; D245-A248 PolarHBondContact O-N 2.69Å
246D81.9Confident88.2Confident155 Ų15529 Ų2983%0.82919%0.19SC*.THydrogen-bonded Turntrans-62.2-18.1178.5-66.9-22.6000113.9W196W196-D246 WeakPolarHBondContact CZ2-O 3.49Å
247S87Confident88.4Confident33 Ų3328.9 Ų28.923%0.23119%0.189CC..THydrogen-bonded Turntrans-98.77.4175.161.80000113.8S240 S242 D245S240-S247 WeakPolarHBondContact CB-O 3.31Å; S240-S247 PolarHBondContact OG-O 3.32Å; S240-S247 PolarHBondContact OG-OG 2.99Å; S242-S247 VanDerWaalsContact OG-C 3.28Å; S242-S247 PolarHBondContact OG-O 2.93Å; S242-S247 PolarHBondContact OG-OG 3.16Å; D245-S247 PolarHBondContact O-N 2.86Å; D245-S247 VanDerWaalsContact O-N 3.09Å
248A90.6Very high87.5Confident14 Ų1434 Ų3412%0.11621%0.211CC..SBendtrans-72146.9-179.800000110.9V115 S242 D245V115-A248 HydrophobicContact CG1-CB 4.12Å; S242-A248 WeakPolarHBondContact O-CB 3.4Å; S242-A248 WeakPolarHBondContact OG-CA 3.44Å; S242-A248 PolarHBondContact OG-N 2.94Å; D245-A248 WeakPolarHBondContact O-CB 3.49Å; D245-A248 PolarHBondContact O-N 2.69Å
249A92.8Very high86.4Confident4 Ų437.1 Ų37.13%0.03323%0.228CC..  trans-62142.117500000111.1V115 L129 F131 Q147 L148V115-A249 HydrophobicContact CB-CB 4.22Å; V115-A249 WeakPolarHBondContact CB-O 3.09Å; V115-A249 HydrophobicContact CG1-CB 4.23Å; V115-A249 WeakPolarHBondContact CG1-O 3.36Å; V115-A249 PolarHBondContact N-O 3.21Å; L129-A249 HydrophobicContact CD1-CB 4.21Å; F131-A249 HydrophobicContact CZ-CB 4.49Å; Q147-A249 WeakPolarHBondContact O-CA 3.37Å; L148-A249 HydrophobicContact CD2-CB 3.66Å
250A93.2Very high85.2Confident14 Ų1438 Ų3812%0.11624%0.235CC..EExtended strand (participates in β ladder)trans-132140.9178.900000110.5F113 Q147 I252F113-A250 WeakPolarHBondContact O-CA 3.45Å; Q147-A250 PolarHBondContact N-O 3.5Å; Q147-A250 PolarHBondContact O-N 2.66Å; Q147-A250 VanDerWaalsContact O-N 3.13Å; A250-I252 HydrophobicContact CB-CD1 4.42Å
251L94.2Very high84Confident0 Ų039.3 Ų39.30%024%0.238CC..EExtended strand (participates in β ladder)trans-105.8118.2173.1176.469.1000108.8F113 F131 V133 A144 V201 I205 I253F113-L251 HydrophobicContact CB-CB 4.2Å; F113-L251 PolarHBondContact N-O 3.4Å; F113-L251 PolarHBondContact O-N 2.6Å; F131-L251 HydrophobicContact CB-CD2 4.29Å; F131-L251 HydrophobicContact CD1-CB 3.75Å; F131-L251 HydrophobicContact CD1-CD2 4.48Å; F131-L251 HydrophobicContact CE1-CB 3.72Å; F131-L251 HydrophobicContact CG-CB 4.22Å; F131-L251 HydrophobicContact CG-CD2 4.18Å; F131-L251 HydrophobicContact CZ-CB 4.17Å; V133-L251 HydrophobicContact CG2-CD2 3.59Å; A144-L251 HydrophobicContact CB-CD1 4.44Å; V201-L251 HydrophobicContact CG2-CD1 3.5Å; I205-L251 HydrophobicContact CD1-CD1 4.29Å; I205-L251 HydrophobicContact CD1-CD2 3.7Å; I205-L251 HydrophobicContact CG1-CD1 4.28Å; I205-L251 HydrophobicContact CG1-CD2 4.2Å; L251-I253 HydrophobicContact CD2-CD1 4.05Å; L251-I253 HydrophobicContact CD2-CG1 4.34Å; L251-I253 HydrophobicContact CG-CD1 4.34Å; L251-I253 HydrophobicContact CG-CG1 4.08Å
252I94.6Very high82.9Confident0 Ų045.7 Ų45.70%025%0.251CS..EExtended strand (participates in β ladder)trans-102.2122.1179.5-49.2-57.8000108.5F89 M90 L93 I110 R111 S112 A144 E145 Q147 A250 F254F89-I252 HydrophobicContact CD1-CD1 4.32Å; F89-I252 HydrophobicContact CD1-CG1 4.19Å; F89-I252 HydrophobicContact CE1-CD1 4.43Å; F89-I252 HydrophobicContact CE1-CG1 3.88Å; F89-I252 HydrophobicContact CE1-CG2 4.21Å; M90-I252 HydrophobicContact SD-CD1 4.13Å; L93-I252 HydrophobicContact CD1-CG2 4.46Å; I110-I252 HydrophobicContact CG2-CG2 3.68Å; R111-I252 WeakPolarHBondContact O-CA 3.23Å; S112-I252 WeakPolarHBondContact OG-CD1 3.31Å; A144-I252 CarbonylContact C-O 3.51Å; A144-I252 WeakPolarHBondContact CA-O 3.45Å; E145-I252 PolarHBondContact N-O 3.33Å; E145-I252 PolarHBondContact O-N 2.85Å; Q147-I252 HydrophobicContact CG-CG1 4.32Å; A250-I252 HydrophobicContact CB-CD1 4.42Å; I252-F254 HydrophobicContact CB-CE2 4.45Å; I252-F254 HydrophobicContact CG2-CD2 4.34Å; I252-F254 HydrophobicContact CG2-CE2 3.68Å; I252-F254 HydrophobicContact CG2-CZ 3.95Å
253I94.4Very high81.9Confident0 Ų053.6 Ų53.60%028%0.277CS..EExtended strand (participates in β ladder)trans-116127.7-179.1-57.6-176000109.1I110 R111 F113 V133 I135 I141 A144 I205 L251I110-I253 CarbonylContact C-O 3.55Å; I110-I253 WeakPolarHBondContact CA-O 3.36Å; R111-I253 PolarHBondContact N-O 2.75Å; R111-I253 PolarHBondContact O-N 2.84Å; F113-I253 HydrophobicContact CD2-CD1 3.81Å; F113-I253 HydrophobicContact CD2-CG1 4.02Å; F113-I253 HydrophobicContact CE2-CB 4.19Å; F113-I253 HydrophobicContact CE2-CD1 3.55Å; F113-I253 HydrophobicContact CE2-CG1 3.97Å; F113-I253 HydrophobicContact CZ-CD1 4.36Å; V133-I253 HydrophobicContact CG1-CD1 3.48Å; V133-I253 VanDerWaalsContact CG1-CD1 3.48Å; V133-I253 HydrophobicContact CG2-CD1 4.4Å; I135-I253 HydrophobicContact CD1-CB 4.46Å; I135-I253 HydrophobicContact CD1-CD1 4.1Å; I135-I253 HydrophobicContact CD1-CG2 4Å; I135-I253 HydrophobicContact CG1-CD1 4.46Å; I141-I253 HydrophobicContact CG1-CG2 4.35Å; I141-I253 HydrophobicContact CG2-CG2 3.98Å; A144-I253 HydrophobicContact CB-CG1 4.12Å; I205-I253 HydrophobicContact CG2-CD1 3.77Å; L251-I253 HydrophobicContact CD2-CD1 4.05Å; L251-I253 HydrophobicContact CD2-CG1 4.34Å; L251-I253 HydrophobicContact CG-CD1 4.34Å; L251-I253 HydrophobicContact CG-CG1 4.08Å
254F93.7Very high80.9Confident11 Ų1152.7 Ų52.75%0.04827%0.269CS..EExtended strand (participates in β ladder)trans-104120.8171.9-57.9-101.4000108.8L93 F107 V109 I110 I142 T143 E145 I252L93-F254 HydrophobicContact CD1-CE1 4.47Å; L93-F254 HydrophobicContact CD1-CZ 4.22Å; F107-F254 HydrophobicContact CB-CB 4.22Å; F107-F254 HydrophobicContact CD1-CB 4.29Å; F107-F254 AromaticContact CD1-CD1 3.78Å; F107-F254 HydrophobicContact CD1-CD1 3.78Å; F107-F254 HydrophobicContact CD1-CG 4.43Å; F107-F254 HydrophobicContact CD2-CD1 4.11Å; F107-F254 AromaticContact CE1-CD1 3.58Å; F107-F254 HydrophobicContact CE1-CD1 3.58Å; F107-F254 HydrophobicContact CE1-CE1 4Å; F107-F254 AromaticContact CE2-CD1 3.98Å; F107-F254 HydrophobicContact CE2-CD1 3.98Å; F107-F254 HydrophobicContact CE2-CE1 4.43Å; F107-F254 HydrophobicContact CG-CB 4.21Å; F107-F254 HydrophobicContact CG-CD1 4.01Å; F107-F254 AromaticContact CZ-CD1 3.65Å; F107-F254 HydrophobicContact CZ-CD1 3.65Å; F107-F254 AromaticContact CZ-CE1 3.86Å; F107-F254 HydrophobicContact CZ-CE1 3.86Å; V109-F254 WeakPolarHBondContact O-CA 3.23Å; I110-F254 HydrophobicContact CB-CD1 4.45Å; I110-F254 HydrophobicContact CD1-CD1 4.02Å; I110-F254 HydrophobicContact CD1-CE1 3.71Å; I110-F254 HydrophobicContact CG1-CD1 3.73Å; I110-F254 HydrophobicContact CG1-CE1 3.91Å; I110-F254 HydrophobicContact CG2-CD1 4.12Å; I110-F254 HydrophobicContact CG2-CE1 3.96Å; I110-F254 HydrophobicContact CG2-CZ 4.29Å; I142-F254 PolarHBondContact N-O 2.94Å; T143-F254 PolarHBondContact N-O 3.36Å; T143-F254 PolarHBondContact O-N 3.17Å; T143-F254 WeakPolarHBondContact OG1-CB 3.11Å; T143-F254 WeakPolarHBondContact OG1-CD2 3.46Å; T143-F254 WeakPolarHBondContact OG1-CG 3.34Å; E145-F254 HydrophobicContact CG-CE2 4.49Å; I252-F254 HydrophobicContact CB-CE2 4.45Å; I252-F254 HydrophobicContact CG2-CD2 4.34Å; I252-F254 HydrophobicContact CG2-CE2 3.68Å; I252-F254 HydrophobicContact CG2-CZ 3.95Å
255S92.3Very high80.3Confident0 Ų057.2 Ų57.20%027%0.265CS..EExtended strand (participates in β ladder)trans-129156.118052.20000112.2D108 V109 R111 E139 Q140D108-S255 PolarHBondContact N-O 2.81Å; V109-S255 PolarHBondContact N-O 2.81Å; V109-S255 PolarHBondContact O-N 2.88Å; R111-S255 PolarHBondContact NH1-OG 3.27Å; E139-S255 WeakPolarHBondContact OE2-CB 3.39Å; E139-S255 PolarHBondContact OE2-OG 2.84Å; Q140-S255 CarbonylContact O-C 3.57Å; Q140-S255 WeakPolarHBondContact O-CA 3.28Å; Q140-S255 WeakPolarHBondContact O-CB 3.15Å
256D88.1Confident79.5Confident7 Ų756.7 Ų56.74%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-116.8133.1176-170.530.2000110.8E139 Q140 I142 F258 R261E139-D256 WeakPolarHBondContact CA-O 3.48Å; Q140-D256 PolarHBondContact N-O 3.06Å; Q140-D256 PolarHBondContact O-N 2.87Å; I142-D256 HydrophobicContact CD1-CB 3.55Å; I142-D256 HydrophobicContact CG1-CB 4.18Å; D256-F258 HydrophobicContact CB-CD2 4.02Å; D256-F258 HydrophobicContact CB-CE2 3.77Å; D256-F258 HydrophobicContact CB-CZ 4.25Å; D256-F258 PolarHBondContact O-N 2.59Å; D256-F258 VanDerWaalsContact OD2-CD1 3.3Å; D256-F258 WeakPolarHBondContact OD2-CD1 3.29Å; D256-F258 WeakPolarHBondContact OD2-CE1 3.44Å; D256-F258 WeakPolarHBondContact OD2-CE2 3.4Å; D256-F258 WeakPolarHBondContact OD2-CZ 3.35Å; D256-R261 IonicContact OD1-CZ 3.61Å; D256-R261 IonicContact OD1-NE 2.83Å; D256-R261 PolarHBondContact OD1-NE 2.94Å; D256-R261 IonicContact OD1-NH2 3.78Å; D256-R261 PolarHBondContact OD1-NH2 3.09Å; D256-R261 IonicContact OD2-NH2 3.38Å
257D84Confident78.7Confident13 Ų1354 Ų547%0.0724%0.24CC..  trans-96.369.2176-178.36000109.2H138 E139 N259 S260H138-D257 IonicContact CD2-OD1 3.41Å; H138-D257 PolarHBondContact CD2-OD1 3.43Å; H138-D257 IonicContact CD2-OD2 2.91Å; E139-D257 HydrophobicContact CG-CB 4.24Å; D257-N259 PolarHBondContact O-N 3.46Å; D257-S260 PolarHBondContact O-N 2.89Å; D257-S260 PolarHBondContact O-OG 2.88Å; D257-S260 PolarHBondContact OD1-N 3.15Å; D257-S260 WeakPolarHBondContact OD2-CB 3.33Å; D257-S260 PolarHBondContact OD2-OG 2.86Å
258F66Low77.9Confident106 Ų10657 Ų5747%0.46525%0.25SS..Hα-helixtrans-50.3-29.7-176-78.8-79.4000114.5Q140 D256 R262Q140-F258 HydrophobicContact CB-CD2 3.82Å; Q140-F258 HydrophobicContact CB-CE2 3.76Å; Q140-F258 HydrophobicContact CG-CE2 4.21Å; D256-F258 HydrophobicContact CB-CD2 4.02Å; D256-F258 HydrophobicContact CB-CE2 3.77Å; D256-F258 HydrophobicContact CB-CZ 4.25Å; D256-F258 PolarHBondContact O-N 2.59Å; D256-F258 VanDerWaalsContact OD2-CD1 3.3Å; D256-F258 WeakPolarHBondContact OD2-CD1 3.29Å; D256-F258 WeakPolarHBondContact OD2-CE1 3.44Å; D256-F258 WeakPolarHBondContact OD2-CE2 3.4Å; D256-F258 WeakPolarHBondContact OD2-CZ 3.35Å; F258-R262 WeakPolarHBondContact O-CB 3.17Å; F258-R262 PolarHBondContact O-N 3.37Å
259N64.1Low77Confident87 Ų8761.2 Ų61.247%0.46527%0.271SS..Hα-helixtrans-77.1-32.5-177.2-83.3-37.1000113D257 R263D257-N259 PolarHBondContact O-N 3.46Å; N259-R263 VanDerWaalsContact O-CG 3.32Å; N259-R263 WeakPolarHBondContact O-CG 3.48Å; N259-R263 PolarHBondContact O-N 3.49Å
260S64.5Low75.8Confident26 Ų2669 Ų6918%0.18230%0.299CS..Hα-helixtrans-67.1-54.5175.1690000110.3D257 R262 R263 E264D257-S260 PolarHBondContact O-N 2.89Å; D257-S260 PolarHBondContact O-OG 2.88Å; D257-S260 PolarHBondContact OD1-N 3.15Å; D257-S260 WeakPolarHBondContact OD2-CB 3.33Å; D257-S260 PolarHBondContact OD2-OG 2.86Å; S260-R262 PolarHBondContact O-N 2.94Å; S260-R263 PolarHBondContact O-N 2.79Å; S260-R263 VanDerWaalsContact O-N 3.1Å; S260-E264 PolarHBondContact O-N 3.03Å
261R65Low74.6Confident39 Ų3972.5 Ų72.515%0.14731%0.313CS..Hα-helixtrans-58-40.9-178.2-70-148.9-109.9-155.7-4.3114.1P105 D108 D256 E264 R265P105-R261 PolarHBondContact O-NH1 3.2Å; P105-R261 PolarHBondContact O-NH2 3.19Å; D108-R261 VanDerWaalsContact CG-NE 3.3Å; D108-R261 IonicContact OD1-CZ 3.21Å; D108-R261 IonicContact OD1-NE 3.19Å; D108-R261 PolarHBondContact OD1-NE 2.96Å; D108-R261 IonicContact OD1-NH1 2.97Å; D108-R261 PolarHBondContact OD1-NH1 3.19Å; D108-R261 VanDerWaalsContact OD1-NH1 3.15Å; D108-R261 IonicContact OD1-NH2 2.66Å; D108-R261 PolarHBondContact OD1-NH2 2.8Å; D108-R261 WeakPolarHBondContact OD2-CD 3.32Å; D108-R261 WeakPolarHBondContact OD2-CG 3.47Å; D108-R261 IonicContact OD2-CZ 2.69Å; D108-R261 IonicContact OD2-NE 3.35Å; D108-R261 PolarHBondContact OD2-NE 2.99Å; D108-R261 IonicContact OD2-NH2 3.69Å; D108-R261 PolarHBondContact OD2-NH2 3.24Å; D256-R261 IonicContact OD1-CZ 3.61Å; D256-R261 IonicContact OD1-NE 2.83Å; D256-R261 PolarHBondContact OD1-NE 2.94Å; D256-R261 IonicContact OD1-NH2 3.78Å; D256-R261 PolarHBondContact OD1-NH2 3.09Å; D256-R261 IonicContact OD2-NH2 3.38Å; R261-E264 PolarHBondContact O-N 3.48Å; R261-R265 WeakPolarHBondContact O-CB 3.41Å; R261-R265 PolarHBondContact O-N 3.02Å
262R64.4Low73.1Confident186 Ų18677.4 Ų77.470%0.70234%0.337SS*.Hα-helixtrans-65.9-39.3179.4-176.3177178172.61.4111.7F258 S260 Q266F258-R262 WeakPolarHBondContact O-CB 3.17Å; F258-R262 PolarHBondContact O-N 3.37Å; S260-R262 PolarHBondContact O-N 2.94Å; R262-Q266 VanDerWaalsContact O-CB 3.24Å; R262-Q266 WeakPolarHBondContact O-CB 3.48Å; R262-Q266 PolarHBondContact O-N 3.27Å
263R62.6Low71.6Confident187 Ų18780.2 Ų80.271%0.70636%0.36SS*.Hα-helixtrans-69.8-41.6178.6-73.3176.2179.8-179.21.9111N259 S260 Q266 K267N259-R263 VanDerWaalsContact O-CG 3.32Å; N259-R263 WeakPolarHBondContact O-CG 3.48Å; N259-R263 PolarHBondContact O-N 3.49Å; S260-R263 PolarHBondContact O-N 2.79Å; S260-R263 VanDerWaalsContact O-N 3.1Å; R263-Q266 PolarHBondContact O-N 3.29Å; R263-K267 PolarHBondContact O-N 3.28Å
264E65.6Low69.8Low50 Ų5087 Ų8723%0.23440%0.396CS..Hα-helixtrans-66.2-51.1178.9-164.4-168.3-161.500111.6S260 R261 Q266 K267 E268 E406S260-E264 PolarHBondContact O-N 3.03Å; R261-E264 PolarHBondContact O-N 3.48Å; E264-Q266 PolarHBondContact O-N 3.09Å; E264-Q266 VanDerWaalsContact O-N 3.16Å; E264-K267 CarbonylContact O-C 3.6Å; E264-K267 WeakPolarHBondContact O-CA 3.39Å; E264-K267 VanDerWaalsContact O-CB 3.25Å; E264-K267 WeakPolarHBondContact O-CB 3.35Å; E264-K267 PolarHBondContact O-N 3.11Å; E264-E268 PolarHBondContact O-N 2.84Å; E264-E406 VanDerWaalsContact CD-OE2 3.27Å; E264-E406 WeakPolarHBondContact OE1-CG 3.17Å; E264-E406 VanDerWaalsContact OE2-CD 3.23Å
265R65.9Low68.2Low163 Ų16393 Ų9362%0.61542%0.424SS*.Hα-helixtrans-58.2-35.3176.3-168.2-174.9-60.5-170.51.4112.5R261 K267 L269R261-R265 WeakPolarHBondContact O-CB 3.41Å; R261-R265 PolarHBondContact O-N 3.02Å; R265-K267 VanDerWaalsContact C-N 3.34Å; R265-L269 HydrophobicContact CG-CD1 4.25Å; R265-L269 WeakPolarHBondContact O-CB 3.4Å; R265-L269 WeakPolarHBondContact O-CD1 3.23Å; R265-L269 VanDerWaalsContact O-CG 3.3Å; R265-L269 WeakPolarHBondContact O-CG 3.45Å; R265-L269 PolarHBondContact O-N 3.26Å
266Q64.4Low66.3Low95 Ų95101.1 Ų101.144%0.44446%0.462SS..Hα-helixtrans-72.6-28.4176-169166.810.900112.5R262 R263 E264 R270R262-Q266 VanDerWaalsContact O-CB 3.24Å; R262-Q266 WeakPolarHBondContact O-CB 3.48Å; R262-Q266 PolarHBondContact O-N 3.27Å; R263-Q266 PolarHBondContact O-N 3.29Å; E264-Q266 PolarHBondContact O-N 3.09Å; E264-Q266 VanDerWaalsContact O-N 3.16Å; Q266-R270 VanDerWaalsContact O-CG 3.26Å; Q266-R270 WeakPolarHBondContact O-CG 3.33Å; Q266-R270 PolarHBondContact O-N 3.38Å
267K66.3Low64.5Low100 Ų100108.3 Ų108.344%0.43550%0.495SS..Hα-helixtrans-70-48.8170.3-172.1-173.6172.5-1640110.2R263 E264 R265 L269 R270 E271 E407R263-K267 PolarHBondContact O-N 3.28Å; E264-K267 CarbonylContact O-C 3.6Å; E264-K267 WeakPolarHBondContact O-CA 3.39Å; E264-K267 VanDerWaalsContact O-CB 3.25Å; E264-K267 WeakPolarHBondContact O-CB 3.35Å; E264-K267 PolarHBondContact O-N 3.11Å; R265-K267 VanDerWaalsContact C-N 3.34Å; K267-L269 PolarHBondContact O-N 2.88Å; K267-R270 WeakPolarHBondContact O-CB 3.47Å; K267-R270 PolarHBondContact O-N 2.86Å; K267-R270 VanDerWaalsContact O-N 3.08Å; K267-E271 VanDerWaalsContact CE-OE1 3.29Å; K267-E271 WeakPolarHBondContact CE-OE1 3.41Å; K267-E271 WeakPolarHBondContact O-CG 3.01Å; K267-E271 PolarHBondContact O-N 3.34Å; K267-E407 IonicContact NZ-OE1 3.28Å; K267-E407 PolarHBondContact NZ-OE1 3.33Å
268E69.8Low62.8Low95 Ų95112.5 Ų112.544%0.44452%0.517SS..Hα-helixtrans-57.2-47.1175.6-67-176.5146.500112.1E264 R270 E271 M272E264-E268 PolarHBondContact O-N 2.84Å; E268-R270 VanDerWaalsContact C-N 3.27Å; E268-R270 PolarHBondContact O-N 3.22Å; E268-E271 PolarHBondContact O-N 3.05Å; E268-E271 VanDerWaalsContact O-N 3.13Å; E268-M272 HydrophobicContact CB-CE 4.23Å; E268-M272 WeakPolarHBondContact O-CG 3.3Å; E268-M272 PolarHBondContact O-N 2.85Å
269L71.2Confident62Low103 Ų103113.1 Ų113.154%0.53953%0.532SS..Hα-helixtrans-60.6-36.1176.7-78.4163.5000112.6R265 K267 M272 A273R265-L269 HydrophobicContact CG-CD1 4.25Å; R265-L269 WeakPolarHBondContact O-CB 3.4Å; R265-L269 WeakPolarHBondContact O-CD1 3.23Å; R265-L269 VanDerWaalsContact O-CG 3.3Å; R265-L269 WeakPolarHBondContact O-CG 3.45Å; R265-L269 PolarHBondContact O-N 3.26Å; K267-L269 PolarHBondContact O-N 2.88Å; L269-M272 HydrophobicContact CD2-CE 3.93Å; L269-M272 HydrophobicContact CG-CE 4.17Å; L269-A273 WeakPolarHBondContact O-CB 3.07Å; L269-A273 PolarHBondContact O-N 3.27Å
270R67.4Low60.8Low166 Ų166116.5 Ų116.563%0.62654%0.543SS*.Hα-helixtrans-70.1-39.7174-77.3173.1177.7174.61111.7Q266 K267 E268 A273 L274Q266-R270 VanDerWaalsContact O-CG 3.26Å; Q266-R270 WeakPolarHBondContact O-CG 3.33Å; Q266-R270 PolarHBondContact O-N 3.38Å; K267-R270 WeakPolarHBondContact O-CB 3.47Å; K267-R270 PolarHBondContact O-N 2.86Å; K267-R270 VanDerWaalsContact O-N 3.08Å; E268-R270 VanDerWaalsContact C-N 3.27Å; E268-R270 PolarHBondContact O-N 3.22Å; R270-A273 PolarHBondContact O-N 3.36Å; R270-L274 VanDerWaalsContact O-CG 3.32Å; R270-L274 WeakPolarHBondContact O-CG 3.32Å; R270-L274 PolarHBondContact O-N 3.17Å
271E67.7Low59.7Low89 Ų89122.7 Ų122.742%0.41657%0.573SS.*Hα-helixtrans-66.3-41.5177.3-72.3174.7-175.500111.5K267 E268 L274 H275K267-E271 VanDerWaalsContact CE-OE1 3.29Å; K267-E271 WeakPolarHBondContact CE-OE1 3.41Å; K267-E271 WeakPolarHBondContact O-CG 3.01Å; K267-E271 PolarHBondContact O-N 3.34Å; E268-E271 PolarHBondContact O-N 3.05Å; E268-E271 VanDerWaalsContact O-N 3.13Å; E271-L274 PolarHBondContact O-N 3.17Å; E271-H275 PolarHBondContact O-CD2 2.96Å; E271-H275 PolarHBondContact O-N 2.96Å
272M62.2Low58.6Low102 Ų102130 Ų13050%0.50261%0.608SS.*Hα-helixtrans-62.1-43.1172.3-69.3-173.9-79.400111.9E268 L269 L274 H275 E276E268-M272 HydrophobicContact CB-CE 4.23Å; E268-M272 WeakPolarHBondContact O-CG 3.3Å; E268-M272 PolarHBondContact O-N 2.85Å; L269-M272 HydrophobicContact CD2-CE 3.93Å; L269-M272 HydrophobicContact CG-CE 4.17Å; M272-L274 VanDerWaalsContact C-N 3.27Å; M272-L274 PolarHBondContact O-N 2.86Å; M272-H275 PolarHBondContact O-N 2.87Å; M272-E276 PolarHBondContact O-N 2.88Å
273A63.4Low57.4Low59 Ų59128.1 Ų128.149%0.48862%0.618SS.*Hα-helixtrans-63.7-30.4176.600000113.1L269 R270 H275L269-A273 WeakPolarHBondContact O-CB 3.07Å; L269-A273 PolarHBondContact O-N 3.27Å; R270-A273 PolarHBondContact O-N 3.36Å; A273-H275 VanDerWaalsContact C-N 3.28Å; A273-H275 PolarHBondContact O-N 2.94Å
274L58.1Low56.1Low142 Ų142122.4 Ų122.474%0.74362%0.617SS**Hα-helixtrans-71.9-22.2174.2-71.6168.5000112.9R270 E271 M272R270-L274 VanDerWaalsContact O-CG 3.32Å; R270-L274 WeakPolarHBondContact O-CG 3.32Å; R270-L274 PolarHBondContact O-N 3.17Å; E271-L274 PolarHBondContact O-N 3.17Å; M272-L274 VanDerWaalsContact C-N 3.27Å; M272-L274 PolarHBondContact O-N 2.86Å
275H58.4Low54.9Low139 Ų139125.1 Ų125.164%0.64465%0.649SS**Hα-helixtrans-93.3-15.8179.7-75.5-61.3000114.1E271 M272 A273E271-H275 PolarHBondContact O-CD2 2.96Å; E271-H275 PolarHBondContact O-N 2.96Å; M272-H275 PolarHBondContact O-N 2.87Å; A273-H275 VanDerWaalsContact C-N 3.28Å; A273-H275 PolarHBondContact O-N 2.94Å
276E53.9Low53.5Low169 Ų169123.7 Ų123.779%0.7965%0.653SS**  trans-95.81.7-176-79.9-164.2155.900116.5M272 D278M272-E276 PolarHBondContact O-N 2.88Å; E276-D278 PolarHBondContact O-N 3.17Å
277E49.8Very low52.2Low159 Ų159131.1 Ų131.174%0.74368%0.677SS**SBendtrans-89.191.3173.6-63.4-163.116400112.3R360E277-R360 PolarHBondContact O-NH2 2.9Å
278D48.3Very low50.8Low100 Ų100133 Ų13354%0.53569%0.692SS.*  trans110.5121.1146.5-99.5-25.1000120.3E276 F280 R360E276-D278 PolarHBondContact O-N 3.17Å; D278-F280 HydrophobicContact CB-CD2 3.83Å; D278-F280 HydrophobicContact CB-CE2 4.07Å; D278-F280 PolarHBondContact O-N 3.12Å; D278-R360 PolarHBondContact O-NH2 2.93Å
279P48.3Very low49.2Very low120 Ų120139.3 Ų139.378%0.77971%0.712SS**  trans-87.197.2172.834.1-29.3000111.9
280F40.2Very low47.6Very low157 Ų157138.9 Ų138.969%0.68972%0.717SS**  trans-127.226.1179.3-84.3-70.3000116.1D278D278-F280 HydrophobicContact CB-CD2 3.83Å; D278-F280 HydrophobicContact CB-CE2 4.07Å; D278-F280 PolarHBondContact O-N 3.12Å
281L40.9Very low46.2Very low156 Ų156140.7 Ų140.782%0.81773%0.733SS**  trans-133.441.8173.7-71.7179.5000115.1
282H41Very low44.6Very low192 Ų192148.3 Ų148.389%0.88976%0.758SS**  trans-119.168.1156.4-72.7-15.7000110
283T39.4Very low43.3Very low147 Ų147148 Ų14890%0.90277%0.772SS**  trans-151.3120.7161.1-19.50000109.6
284G37.1Very low42.6Very low67 Ų67150.8 Ų150.869%0.69178%0.784SS**  trans118.34716100000117.1
285A39Very low41.4Very low108 Ų108156.2 Ų156.289%0.89380%0.795SS**  trans-125.263.8156.800000109.8
286D36Very low40.1Very low132 Ų132157.9 Ų157.971%0.70680%0.803SS**  trans-144.396.8159.8-164.59.2000109
287W36.9Very low39.1Very low251 Ų251156.2 Ų156.295%0.95181%0.805SS**  trans-128.465.3167.5-68.9110.4000108.2
288D38.7Very low38.5Very low140 Ų140154 Ų15475%0.74980%0.804SS**  trans-130.789.4163.2-158.310.9000111.6
289R36Very low38.1Very low227 Ų227161 Ų16186%0.85782%0.823SS**  trans-178.2121.7137.4-106.2172.6-178.1169.53113.4
290S37.6Very low37.7Very low94 Ų94161.2 Ų161.266%0.65782%0.822SS**  trans65.787.2133.5-56.60000119.4
291H38.2Very low37.7Very low205 Ų205165.1 Ų165.195%0.94983%0.832SS**  trans-141.2121.9132.3-83.8-64.9000111.2
292R34Very low37.8Very low249 Ų249168.1 Ų168.194%0.9483%0.832SS**  trans-104.1117.5-178.7-174.8-169-74.7-148.50.4107.6
293A33.8Very low37.7Very low96 Ų96164.8 Ų164.879%0.79383%0.828SS**  trans-175.8152.5144.500000112.1
294P48.4Very low37.8Very low117 Ų117169.2 Ų169.276%0.7683%0.828SS**  trans-111.9158.4-152.538.4-26.8000114.1
295R32.8Very low38.2Very low255 Ų255177.4 Ų177.496%0.96284%0.838SS**  trans-171.6152.8145.4-106.3160.6-177.3171.71.7113.3
296E32.6Very low38.5Very low174 Ų174178.3 Ų178.381%0.81383%0.832SS**  trans-93.9147.2-157.3-72.9176.3152.700115.3
297T32.1Very low39.1Very low134 Ų134181.3 Ų181.382%0.82284%0.839SS**  trans71.3159.8153.266.30000120.4
298P37.3Very low39.6Very low112 Ų112180.7 Ų180.773%0.72784%0.837SS**  cis-122.6157.8-9.423.4-1.4000114.6V300P298-V300 PolarHBondContact O-N 3.37Å
299R40.3Very low40Very low248 Ų248183.2 Ų183.294%0.93684%0.841SS**  trans-67.5105.8178.8-68.1176.1174.9175.2-1.9111.9
300V38.3Very low40.5Very low124 Ų124175.9 Ų175.975%0.75283%0.829SS**  trans-88.8107.3158.1-179.50000108.1P298 R302P298-V300 PolarHBondContact O-N 3.37Å; V300-R302 VanDerWaalsContact C-N 3.35Å; V300-R302 PolarHBondContact O-N 2.99Å
301R41.3Very low41Very low240 Ų240179.4 Ų179.491%0.90684%0.841SS**  trans-65.591.6172.1-76.7179.4163179.8-4109.2
302R41.8Very low42.1Very low219 Ų219171.3 Ų171.383%0.82681%0.812SS**  trans-72.2130.6160.8-69.9-173.8173.6-170.7-1.5107.9V300 R304V300-R302 VanDerWaalsContact C-N 3.35Å; V300-R302 PolarHBondContact O-N 2.99Å; R302-R304 PolarHBondContact O-N 2.99Å; R302-R304 VanDerWaalsContact O-N 3.08Å
303P40.4Very low44.2Very low122 Ų122164.3 Ų164.379%0.79279%0.79SS**  trans-60.6120.1173.224.4-29.5000107.2R305P303-R305 VanDerWaalsContact C-N 3.33Å; P303-R305 PolarHBondContact O-N 3.29Å
304R40.8Very low46.7Very low240 Ų240165.4 Ų165.491%0.90677%0.774SS**  trans-56.1105165.5-79.5178.4173.7166.3-3.1105.3R302 T306R302-R304 PolarHBondContact O-N 2.99Å; R302-R304 VanDerWaalsContact O-N 3.08Å; R304-T306 VanDerWaalsContact C-N 3.33Å; R304-T306 PolarHBondContact O-N 2.97Å
305R45.7Very low48.8Very low238 Ų238160.2 Ų160.290%0.89874%0.741SS**  trans-50.6110.4159.8-102.4178.9168.6155.7-3.6104.8P303 K307P303-R305 VanDerWaalsContact C-N 3.33Å; P303-R305 PolarHBondContact O-N 3.29Å; R305-K307 PolarHBondContact O-N 2.78Å
306T45.2Very low51.5Low127 Ų127154 Ų15478%0.77972%0.717SS**  trans-48.2109.7170.6-19.90000104.8R304 R308R304-T306 VanDerWaalsContact C-N 3.33Å; R304-T306 PolarHBondContact O-N 2.97Å; T306-R308 PolarHBondContact O-N 3.25Å
307K48Very low54.4Low196 Ų196151.1 Ų151.185%0.85270%0.699SS**  trans-54.8100.3161.7-84.2-175.9173.9-174.30103.1R305 K309R305-K307 PolarHBondContact O-N 2.78Å; K307-K309 PolarHBondContact O-N 3.31Å
308R48.4Very low57.3Low238 Ų238145.9 Ų145.990%0.89867%0.667SS**  trans-55.2102.6155.1-73.2-178.6178163.8-2.7102T306 A310T306-R308 PolarHBondContact O-N 3.25Å; R308-A310 PolarHBondContact O-N 2.95Å
309K46Very low60.1Low193 Ų193145.4 Ų145.484%0.83967%0.666SS**  trans-53108160.3-78.8-178.6171.6-174.40102.4K307 D311K307-K309 PolarHBondContact O-N 3.31Å; K309-D311 VanDerWaalsContact C-N 3.28Å; K309-D311 PolarHBondContact O-N 3.27Å
310A47.3Very low62.7Low73 Ų73136.7 Ų136.760%0.60364%0.638SS**  trans-59.1110.3163.700000103.2R308 G312R308-A310 PolarHBondContact O-N 2.95Å; A310-G312 PolarHBondContact O-N 3.45Å
311D48.8Very low65.4Low168 Ų168138.4 Ų138.490%0.89863%0.631SS**  trans-72.817.3175.6-148.824000110.7K309K309-D311 VanDerWaalsContact C-N 3.28Å; K309-D311 PolarHBondContact O-N 3.27Å
312G59.8Low67.9Low34 Ų34128.6 Ų128.635%0.35160%0.598SS.*SBendtrans-88.1121.6173.900000108.5A310A310-G312 PolarHBondContact O-N 3.45Å
313E79.4Confident70.4Confident102 Ų102119.4 Ų119.448%0.47757%0.567SS.*PPolyproline II helixtrans-55.3143.2170-59.6180137.200109.9R316 G346 V347E313-R316 VanDerWaalsContact CD-CZ 3.45Å; E313-R316 IonicContact OE1-CZ 3.33Å; E313-R316 IonicContact OE1-NH1 3.88Å; E313-R316 IonicContact OE1-NH2 3.76Å; E313-R316 PolarHBondContact OE1-NH2 3.07Å; E313-R316 IonicContact OE2-CZ 3.39Å; E313-R316 IonicContact OE2-NE 2.72Å; E313-R316 PolarHBondContact OE2-NE 3.5Å; E313-R316 IonicContact OE2-NH2 2.91Å; E313-R316 PolarHBondContact OE2-NH2 2.98Å; E313-G346 CarbonylContact O-C 3.48Å; E313-G346 WeakPolarHBondContact O-CA 3.33Å; E313-V347 PolarHBondContact O-N 3.3Å
314Y86.8Confident72.8Confident119 Ų119113.8 Ų113.847%0.46753%0.53SS..BIsolated β-bridgetrans-59.2153.7174.7-71.5-86.5000110.6R316Y314-R316 PolarHBondContact O-N 2.89Å; Y314-R316 VanDerWaalsContact O-N 3.09Å
315C91.7Very high75.2Confident9 Ų9109.2 Ų109.26%0.06152%0.517CS..SBendtrans-50.2117.4177.7179.40000111.4V347 C381C315-V347 PolarHBondContact N-O 2.85Å; C315-C381 WeakPolarHBondContact CA-SG 3.48Å; C315-C381 HydrophobicContact CB-CB 3.64Å; C315-C381 WeakPolarHBondContact CB-SG 2.99Å; C315-C381 WeakPolarHBondContact SG-CA 3.38Å; C315-C381 WeakPolarHBondContact SG-CB 3.02Å; C315-C381 CovalentContact SG-SG 2.03Å; C315-C381 PolarHBondContact SG-SG 3.01Å
316R90.3Very high77.2Confident123 Ų123104.2 Ų104.246%0.46451%0.508SS..EExtended strand (participates in β ladder)trans-150.4162.4-178.768.1-175.3-173.9164.24.6111.2E313 Y314 T318 R345E313-R316 VanDerWaalsContact CD-CZ 3.45Å; E313-R316 IonicContact OE1-CZ 3.33Å; E313-R316 IonicContact OE1-NH1 3.88Å; E313-R316 IonicContact OE1-NH2 3.76Å; E313-R316 PolarHBondContact OE1-NH2 3.07Å; E313-R316 IonicContact OE2-CZ 3.39Å; E313-R316 IonicContact OE2-NE 2.72Å; E313-R316 PolarHBondContact OE2-NE 3.5Å; E313-R316 IonicContact OE2-NH2 2.91Å; E313-R316 PolarHBondContact OE2-NH2 2.98Å; Y314-R316 PolarHBondContact O-N 2.89Å; Y314-R316 VanDerWaalsContact O-N 3.09Å; R316-T318 HydrophobicContact CG-CG2 4.07Å; R316-R345 PolarHBondContact N-O 3.27Å; R316-R345 PolarHBondContact O-N 3.47Å; R316-R345 VanDerWaalsContact O-O 3.1Å
317R92.9Very high79Confident115 Ų115100.9 Ų100.943%0.43449%0.485SS..EExtended strand (participates in β ladder)trans-77.8127.1170.2-170.2173.865.994.36.6110.1F342 E343 V410 A411 C413R317-F342 HydrophobicContact CG-CB 3.89Å; R317-F342 HydrophobicContact CG-CG 4.41Å; R317-F342 VanDerWaalsContact NH1-CE2 3.31Å; R317-F342 VanDerWaalsContact NH1-CZ 3.27Å; R317-E343 CarbonylContact C-O 3.54Å; R317-E343 WeakPolarHBondContact CA-O 3.45Å; R317-V410 WeakPolarHBondContact CD-O 3.36Å; R317-V410 HydrophobicContact CG-CG1 4.11Å; R317-A411 WeakPolarHBondContact CD-O 3.43Å; R317-A411 PolarHBondContact NE-O 3.36Å; R317-C413 VanDerWaalsContact CA-SG 3.51Å
318T93.6Very high80.7Confident23 Ų2393.7 Ų93.714%0.14147%0.466CS..EExtended strand (participates in β ladder)trans-117.3157.8177.349.30000111.2R316 L320 F342 E343 R345R316-T318 HydrophobicContact CG-CG2 4.07Å; T318-L320 PolarHBondContact O-N 3.35Å; T318-F342 VanDerWaalsContact O-CA 3.3Å; T318-F342 WeakPolarHBondContact O-CA 3.27Å; T318-F342 WeakPolarHBondContact O-CB 3.5Å; T318-E343 PolarHBondContact N-O 2.99Å; T318-E343 PolarHBondContact O-N 3.42Å; T318-E343 WeakPolarHBondContact OG1-CG 3.39Å; T318-E343 PolarHBondContact OG1-O 3.5Å; T318-E343 PolarHBondContact OG1-OE1 3.1Å; T318-R345 HydrophobicContact CG2-CB 4.16Å
319S95.4Very high82.5Confident102 Ų10283.7 Ų83.771%0.71343%0.429SS*.  trans-71.6127.1179.558.40000111
320L95Very high84.4Confident66 Ų6678.9 Ų78.935%0.34641%0.412SS..  trans-138126.7170.3175.866000107.2T318 V322 D340 A341 F342 E343T318-L320 PolarHBondContact O-N 3.35Å; L320-V322 HydrophobicContact CD2-CG2 4.29Å; L320-V322 HydrophobicContact CG-CG2 4.27Å; L320-D340 CarbonylContact O-C 3.37Å; L320-A341 PolarHBondContact O-N 3.33Å; L320-F342 PolarHBondContact O-N 2.91Å; L320-E343 HydrophobicContact CB-CB 4.2Å; L320-E343 HydrophobicContact CB-CG 4.24Å; L320-E343 HydrophobicContact CD2-CB 4.03Å
321R95.5Very high86.3Confident159 Ų15978.9 Ų78.960%0.641%0.407SS*.EExtended strand (participates in β ladder)trans-105.6133170-81.2-165.8-60.1156.21109.2E338 Y339 D340R321-E338 IonicContact NH1-OE1 3.2Å; R321-E338 PolarHBondContact NH1-OE1 3.41Å; R321-E338 IonicContact NH1-OE2 3.15Å; R321-Y339 WeakPolarHBondContact CA-O 3.39Å; R321-D340 WeakPolarHBondContact CD-OD1 3.36Å; R321-D340 WeakPolarHBondContact CG-OD1 3.4Å
322V93.1Very high88Confident35 Ų3571 Ų7121%0.21237%0.365CS..EExtended strand (participates in β ladder)trans-113.2126.1178.4173.50000108.1L320 E338 Y339 A341L320-V322 HydrophobicContact CD2-CG2 4.29Å; L320-V322 HydrophobicContact CG-CG2 4.27Å; V322-E338 CarbonylContact O-C 3.51Å; V322-E338 WeakPolarHBondContact O-CA 3.39Å; V322-E338 WeakPolarHBondContact O-CB 3.12Å; V322-Y339 HydrophobicContact CB-CD1 4.28Å; V322-Y339 HydrophobicContact CB-CE1 3.79Å; V322-Y339 HydrophobicContact CG1-CE1 3.91Å; V322-Y339 PolarHBondContact N-O 3.48Å; V322-Y339 PolarHBondContact O-N 2.63Å; V322-A341 HydrophobicContact CB-CB 4.32Å; V322-A341 HydrophobicContact CG2-CB 3.6Å
323S94.2Very high89.5Confident25 Ų2569.9 Ų69.918%0.17535%0.351CS..EExtended strand (participates in β ladder)trans-98.2132.2165.7-173.60000109.7K325 D326 P337S323-K325 PolarHBondContact O-N 3.44Å; S323-K325 VanDerWaalsContact O-N 3.16Å; S323-K325 PolarHBondContact OG-N 2.74Å; S323-D326 WeakPolarHBondContact CB-OD2 3.42Å; S323-D326 PolarHBondContact O-N 3.24Å; S323-D326 VanDerWaalsContact O-N 3.08Å; S323-P337 PolarHBondContact OG-O 2.72Å
324F90.7Very high90.1Very high4 Ų467.1 Ų67.12%0.01834%0.341CS..THydrogen-bonded Turntrans-66.1-17.2174.7-66.4-69.1000112.8D326 I327 G328 W329 N330 I333 P336 P337 Y339 I389 M408F324-D326 VanDerWaalsContact C-N 3.35Å; F324-I327 HydrophobicContact CD1-CD1 4.11Å; F324-I327 WeakPolarHBondContact O-CG1 3.36Å; F324-G328 PolarHBondContact O-N 2.04Å; F324-W329 HydrophobicContact CB-CB 4.24Å; F324-W329 HydrophobicContact CD1-CB 4.46Å; F324-W329 HydrophobicContact CD1-CE3 4Å; F324-W329 HydrophobicContact CE1-CE3 4.3Å; F324-W329 PolarHBondContact O-N 2.83Å; F324-N330 PolarHBondContact O-N 2.98Å; F324-I333 HydrophobicContact CB-CD1 4.21Å; F324-I333 HydrophobicContact CD1-CD1 3.18Å; F324-I333 HydrophobicContact CD2-CD1 4.12Å; F324-I333 HydrophobicContact CD2-CG2 3.87Å; F324-I333 HydrophobicContact CE1-CD1 3.39Å; F324-I333 HydrophobicContact CE2-CD1 4.27Å; F324-I333 HydrophobicContact CE2-CG2 4.1Å; F324-I333 HydrophobicContact CG-CB 4.42Å; F324-I333 HydrophobicContact CG-CD1 3.57Å; F324-I333 HydrophobicContact CG-CG2 4.2Å; F324-I333 HydrophobicContact CZ-CD1 3.93Å; F324-P336 WeakPolarHBondContact CD2-O 3.35Å; F324-P336 HydrophobicContact CE2-CG 4.26Å; F324-P336 WeakPolarHBondContact CE2-O 3.34Å; F324-P337 PolarHBondContact N-O 3.15Å; F324-P337 VanDerWaalsContact N-O 3.11Å; F324-Y339 HydrophobicContact CE1-CE1 4.03Å; F324-Y339 AromaticContact CE2-CD1 3.81Å; F324-Y339 HydrophobicContact CE2-CD1 3.81Å; F324-Y339 HydrophobicContact CE2-CE1 4.16Å; F324-Y339 AromaticContact CZ-CD1 3.7Å; F324-Y339 HydrophobicContact CZ-CD1 3.7Å; F324-Y339 AromaticContact CZ-CE1 3.58Å; F324-Y339 HydrophobicContact CZ-CE1 3.58Å; F324-I389 HydrophobicContact CZ-CD1 4.46Å; F324-M408 HydrophobicContact CE1-CE 4.22Å; F324-M408 HydrophobicContact CZ-CE 4.12Å
325K90.7Very high90.5Very high145 Ų14562 Ų6263%0.6332%0.323SS*.THydrogen-bonded Turntrans-68.2-36.2173.1-173-178.3174.6-172.10112S323 I327 G328 N330S323-K325 PolarHBondContact O-N 3.44Å; S323-K325 VanDerWaalsContact O-N 3.16Å; S323-K325 PolarHBondContact OG-N 2.74Å; K325-I327 PolarHBondContact O-N 3.25Å; K325-G328 PolarHBondContact O-N 2.99Å; K325-G328 VanDerWaalsContact O-N 3.11Å; K325-N330 HydrophobicContact CB-CB 4.18Å
326D88.6Confident90.6Very high133 Ų13362.5 Ų62.571%0.71133%0.326SS*.THydrogen-bonded Turntrans-68.6-24-176.2-59.6-21.6000111.8S323 F324S323-D326 WeakPolarHBondContact CB-OD2 3.42Å; S323-D326 PolarHBondContact O-N 3.24Å; S323-D326 VanDerWaalsContact O-N 3.08Å; F324-D326 VanDerWaalsContact C-N 3.35Å
327I83.8Confident90.7Very high57 Ų5761.1 Ų61.129%0.29233%0.333SS..THydrogen-bonded Turntrans-105.59.7175.462.6175.9000113.2L61 F324 K325 W329L61-I327 HydrophobicContact CD2-CG2 4.46Å; F324-I327 HydrophobicContact CD1-CD1 4.11Å; F324-I327 WeakPolarHBondContact O-CG1 3.36Å; K325-I327 PolarHBondContact O-N 3.25Å; I327-W329 HydrophobicContact CD1-CD2 3.55Å; I327-W329 HydrophobicContact CD1-CE3 3.47Å; I327-W329 VanDerWaalsContact CD1-CE3 3.47Å; I327-W329 HydrophobicContact CD1-CG 4.08Å; I327-W329 HydrophobicContact CD1-CH2 4.09Å; I327-W329 HydrophobicContact CD1-CZ2 4.17Å; I327-W329 HydrophobicContact CD1-CZ3 3.73Å; I327-W329 HydrophobicContact CG1-CB 4.26Å; I327-W329 HydrophobicContact CG1-CD2 3.96Å; I327-W329 HydrophobicContact CG1-CE3 4.31Å; I327-W329 HydrophobicContact CG1-CG 3.95Å; I327-W329 PolarHBondContact O-N 2.82Å; I327-W329 PolarHBondContact O-NE1 3.19Å
328G83.3Confident90.8Very high45 Ų4560.1 Ų60.146%0.46433%0.333SS..THydrogen-bonded Turntrans72.818.3174.700000115.9F324 K325F324-G328 PolarHBondContact O-N 2.04Å; K325-G328 PolarHBondContact O-N 2.99Å; K325-G328 VanDerWaalsContact O-N 3.11Å
329W86.6Confident90.8Very high28 Ų2860.7 Ų60.711%0.10633%0.333CS..  trans-97.60.2-177.2-65.75.1000114.1K65 F68 F324 I327 S331 W332 I333K65-W329 VanDerWaalsContact CA-CZ2 3.5Å; K65-W329 HydrophobicContact CB-CZ2 3.79Å; K65-W329 HydrophobicContact CG-CZ2 4.36Å; F68-W329 HydrophobicContact CB-CH2 3.45Å; F68-W329 VanDerWaalsContact CB-CH2 3.45Å; F68-W329 HydrophobicContact CB-CZ2 4.19Å; F68-W329 HydrophobicContact CB-CZ3 3.95Å; F68-W329 HydrophobicContact CD1-CE3 4.41Å; F68-W329 HydrophobicContact CD1-CH2 4.23Å; F68-W329 AromaticContact CD1-CZ3 3.92Å; F68-W329 HydrophobicContact CD1-CZ3 3.92Å; F68-W329 HydrophobicContact CD2-CE3 4.18Å; F68-W329 AromaticContact CD2-CH2 3.5Å; F68-W329 HydrophobicContact CD2-CH2 3.5Å; F68-W329 AromaticContact CD2-CZ3 3.13Å; F68-W329 HydrophobicContact CD2-CZ3 3.13Å; F68-W329 HydrophobicContact CE1-CZ3 4.3Å; F68-W329 HydrophobicContact CE2-CE3 4.16Å; F68-W329 HydrophobicContact CE2-CH2 4.27Å; F68-W329 AromaticContact CE2-CZ3 3.44Å; F68-W329 HydrophobicContact CE2-CZ3 3.44Å; F68-W329 VanDerWaalsContact CE2-CZ3 3.44Å; F68-W329 HydrophobicContact CG-CE3 4.26Å; F68-W329 AromaticContact CG-CH2 3.44Å; F68-W329 HydrophobicContact CG-CH2 3.44Å; F68-W329 VanDerWaalsContact CG-CH2 3.44Å; F68-W329 HydrophobicContact CG-CZ2 4.41Å; F68-W329 AromaticContact CG-CZ3 3.36Å; F68-W329 HydrophobicContact CG-CZ3 3.36Å; F68-W329 HydrophobicContact CZ-CE3 4.4Å; F68-W329 HydrophobicContact CZ-CZ3 4.05Å; F324-W329 HydrophobicContact CB-CB 4.24Å; F324-W329 HydrophobicContact CD1-CB 4.46Å; F324-W329 HydrophobicContact CD1-CE3 4Å; F324-W329 HydrophobicContact CE1-CE3 4.3Å; F324-W329 PolarHBondContact O-N 2.83Å; I327-W329 HydrophobicContact CD1-CD2 3.55Å; I327-W329 HydrophobicContact CD1-CE3 3.47Å; I327-W329 VanDerWaalsContact CD1-CE3 3.47Å; I327-W329 HydrophobicContact CD1-CG 4.08Å; I327-W329 HydrophobicContact CD1-CH2 4.09Å; I327-W329 HydrophobicContact CD1-CZ2 4.17Å; I327-W329 HydrophobicContact CD1-CZ3 3.73Å; I327-W329 HydrophobicContact CG1-CB 4.26Å; I327-W329 HydrophobicContact CG1-CD2 3.96Å; I327-W329 HydrophobicContact CG1-CE3 4.31Å; I327-W329 HydrophobicContact CG1-CG 3.95Å; I327-W329 PolarHBondContact O-N 2.82Å; I327-W329 PolarHBondContact O-NE1 3.19Å; W329-S331 PolarHBondContact O-N 3.42Å; W329-W332 HydrophobicContact CB-CZ2 3.74Å; W329-W332 AromaticContact CD1-NE1 3.94Å; W329-W332 HydrophobicContact CD2-CH2 4.45Å; W329-W332 AromaticContact CD2-CZ2 3.58Å; W329-W332 HydrophobicContact CD2-CZ2 3.58Å; W329-W332 HydrophobicContact CE3-CH2 4.11Å; W329-W332 AromaticContact CE3-CZ2 3.67Å; W329-W332 HydrophobicContact CE3-CZ2 3.67Å; W329-W332 AromaticContact CG-CE2 3.96Å; W329-W332 AromaticContact CG-CZ2 3.62Å; W329-W332 HydrophobicContact CG-CZ2 3.62Å; W329-W332 AromaticContact CG-NE1 3.71Å; W329-W332 PolarHBondContact O-N 3.31Å; W329-I333 HydrophobicContact CB-CD1 3.97Å; W329-I333 HydrophobicContact CB-CG1 4.4Å; W329-I333 HydrophobicContact CE3-CD1 3.88Å; W329-I333 PolarHBondContact O-N 2.9Å
330N86Confident90.8Very high92 Ų9259.9 Ų59.949%0.49232%0.321SS..THydrogen-bonded Turntrans-66.6-4.2178.368.4-76.9000114.7F324 K325F324-N330 PolarHBondContact O-N 2.98Å; K325-N330 HydrophobicContact CB-CB 4.18Å
331S85.5Confident90.8Very high72 Ų7257.1 Ų57.150%0.50331%0.308SS..THydrogen-bonded Turntrans-78.9-35.7175.352.20000112.3W329W329-S331 PolarHBondContact O-N 3.42Å
332W86.3Confident90.8Very high4 Ų452 Ų522%0.01529%0.29CS..THydrogen-bonded Turntrans-117.2-28.2-175.163.1-85.6000112.7F68 L72 V77 W329 Y393 K394F68-W332 AromaticContact CD1-CH2 3.54Å; F68-W332 HydrophobicContact CD1-CH2 3.54Å; F68-W332 HydrophobicContact CD1-CZ2 4.09Å; F68-W332 HydrophobicContact CD1-CZ3 4.41Å; F68-W332 AromaticContact CE1-CH2 3.04Å; F68-W332 HydrophobicContact CE1-CH2 3.04Å; F68-W332 HydrophobicContact CE1-CZ2 4.01Å; F68-W332 AromaticContact CE1-CZ3 3.7Å; F68-W332 HydrophobicContact CE1-CZ3 3.7Å; F68-W332 AromaticContact CZ-CH2 3.72Å; F68-W332 HydrophobicContact CZ-CH2 3.72Å; F68-W332 HydrophobicContact CZ-CZ3 4.41Å; L72-W332 HydrophobicContact CD1-CE3 4.5Å; L72-W332 HydrophobicContact CD1-CH2 4.15Å; L72-W332 HydrophobicContact CD1-CZ3 3.55Å; V77-W332 VanDerWaalsContact CG1-CD1 3.43Å; V77-W332 HydrophobicContact CG1-CG 4.04Å; W329-W332 HydrophobicContact CB-CZ2 3.74Å; W329-W332 AromaticContact CD1-NE1 3.94Å; W329-W332 HydrophobicContact CD2-CH2 4.45Å; W329-W332 AromaticContact CD2-CZ2 3.58Å; W329-W332 HydrophobicContact CD2-CZ2 3.58Å; W329-W332 HydrophobicContact CE3-CH2 4.11Å; W329-W332 AromaticContact CE3-CZ2 3.67Å; W329-W332 HydrophobicContact CE3-CZ2 3.67Å; W329-W332 AromaticContact CG-CE2 3.96Å; W329-W332 AromaticContact CG-CZ2 3.62Å; W329-W332 HydrophobicContact CG-CZ2 3.62Å; W329-W332 AromaticContact CG-NE1 3.71Å; W329-W332 PolarHBondContact O-N 3.31Å; W332-Y393 HydrophobicContact CE3-CD2 4.44Å; W332-Y393 HydrophobicContact CZ3-CG 4.42Å; W332-Y393 CarbonylContact O-C 3.58Å; W332-Y393 WeakPolarHBondContact O-CA 3.2Å; W332-Y393 WeakPolarHBondContact O-CB 3.32Å; W332-K394 PolarHBondContact O-N 3.03Å
333I90.7Very high90.9Very high9 Ų953.6 Ų53.65%0.04630%0.295CS..EExtended strand (participates in β ladder)trans-78.9122.3165.7-60.6177000109.1F68 F324 W329 V391F68-I333 HydrophobicContact CZ-CD1 4.31Å; F324-I333 HydrophobicContact CB-CD1 4.21Å; F324-I333 HydrophobicContact CD1-CD1 3.18Å; F324-I333 HydrophobicContact CD2-CD1 4.12Å; F324-I333 HydrophobicContact CD2-CG2 3.87Å; F324-I333 HydrophobicContact CE1-CD1 3.39Å; F324-I333 HydrophobicContact CE2-CD1 4.27Å; F324-I333 HydrophobicContact CE2-CG2 4.1Å; F324-I333 HydrophobicContact CG-CB 4.42Å; F324-I333 HydrophobicContact CG-CD1 3.57Å; F324-I333 HydrophobicContact CG-CG2 4.2Å; F324-I333 HydrophobicContact CZ-CD1 3.93Å; W329-I333 HydrophobicContact CB-CD1 3.97Å; W329-I333 HydrophobicContact CB-CG1 4.4Å; W329-I333 HydrophobicContact CE3-CD1 3.88Å; W329-I333 PolarHBondContact O-N 2.9Å; I333-V391 HydrophobicContact CG2-CG1 4.15Å
334V92.6Very high90.9Very high44 Ų4453.7 Ų53.727%0.26730%0.295SS..EExtended strand (participates in β ladder)trans-96.3-41.1-179-171.90000111.1P86 M392 K394 I399P86-V334 HydrophobicContact CG-CG1 3.78Å; V334-M392 WeakPolarHBondContact CA-O 3.43Å; V334-M392 HydrophobicContact CB-CE 3.96Å; V334-M392 HydrophobicContact CB-CG 4.2Å; V334-M392 HydrophobicContact CG1-CE 3.6Å; V334-M392 PolarHBondContact N-O 2.93Å; V334-K394 HydrophobicContact CG2-CD 4.35Å; V334-K394 HydrophobicContact CG2-CG 3.81Å; V334-I399 HydrophobicContact CG2-CD1 4.15Å
335A94Very high91Very high11 Ų1161.2 Ų61.29%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-152.6149.3175.200000112.2Y94 M392Y94-A335 HydrophobicContact CD1-CB 4.13Å; Y94-A335 HydrophobicContact CD2-CB 4.37Å; Y94-A335 HydrophobicContact CE1-CB 3.74Å; Y94-A335 HydrophobicContact CE2-CB 3.97Å; Y94-A335 HydrophobicContact CG-CB 4.44Å; A335-M392 HydrophobicContact CB-CB 4.17Å; A335-M392 HydrophobicContact CB-CE 3.65Å; A335-M392 PolarHBondContact N-O 3.28Å; A335-M392 PolarHBondContact O-N 3.47Å
336P94.4Very high91Very high20 Ų2055.7 Ų55.713%0.1331%0.308CS..  cis-72.8156.5-8.832-32.3000110.6Y94 F324 E338 T390Y94-P336 WeakPolarHBondContact OH-CB 3.33Å; Y94-P336 VanDerWaalsContact OH-CD 3.24Å; Y94-P336 WeakPolarHBondContact OH-CD 3.35Å; F324-P336 WeakPolarHBondContact CD2-O 3.35Å; F324-P336 HydrophobicContact CE2-CG 4.26Å; F324-P336 WeakPolarHBondContact CE2-O 3.34Å; P336-E338 VanDerWaalsContact C-N 3.34Å; P336-E338 WeakPolarHBondContact CB-O 3.3Å; P336-T390 WeakPolarHBondContact CD-O 2.93Å
337P92.3Very high91Very high94 Ų9451.5 Ų51.561%0.6129%0.287SS*.SBendtrans-73.5-28.2174.428.8-34.2000112.8S323 F324S323-P337 PolarHBondContact OG-O 2.72Å; F324-P337 PolarHBondContact N-O 3.15Å; F324-P337 VanDerWaalsContact N-O 3.11Å
338E94.4Very high91.3Very high94 Ų9448.9 Ų48.944%0.43927%0.274SS..EExtended strand (participates in β ladder)trans-145.9155.6175.962.6174.6-141.400110.3R321 V322 P336R321-E338 IonicContact NH1-OE1 3.2Å; R321-E338 PolarHBondContact NH1-OE1 3.41Å; R321-E338 IonicContact NH1-OE2 3.15Å; V322-E338 CarbonylContact O-C 3.51Å; V322-E338 WeakPolarHBondContact O-CA 3.39Å; V322-E338 WeakPolarHBondContact O-CB 3.12Å; P336-E338 VanDerWaalsContact C-N 3.34Å; P336-E338 WeakPolarHBondContact CB-O 3.3Å
339Y93.9Very high91.4Very high36 Ų3648 Ų4814%0.14126%0.26CS..EExtended strand (participates in β ladder)trans-150.6158.9176.275.4-77.7000112.4R321 V322 F324 A341 I389 M408R321-Y339 WeakPolarHBondContact CA-O 3.39Å; V322-Y339 HydrophobicContact CB-CD1 4.28Å; V322-Y339 HydrophobicContact CB-CE1 3.79Å; V322-Y339 HydrophobicContact CG1-CE1 3.91Å; V322-Y339 PolarHBondContact N-O 3.48Å; V322-Y339 PolarHBondContact O-N 2.63Å; F324-Y339 HydrophobicContact CE1-CE1 4.03Å; F324-Y339 AromaticContact CE2-CD1 3.81Å; F324-Y339 HydrophobicContact CE2-CD1 3.81Å; F324-Y339 HydrophobicContact CE2-CE1 4.16Å; F324-Y339 AromaticContact CZ-CD1 3.7Å; F324-Y339 HydrophobicContact CZ-CD1 3.7Å; F324-Y339 AromaticContact CZ-CE1 3.58Å; F324-Y339 HydrophobicContact CZ-CE1 3.58Å; Y339-A341 HydrophobicContact CD2-CB 4.22Å; Y339-A341 HydrophobicContact CE2-CB 3.51Å; Y339-A341 PolarHBondContact O-N 3.28Å; Y339-I389 HydrophobicContact CD1-CD1 4.28Å; Y339-I389 HydrophobicContact CD2-CD1 4.14Å; Y339-I389 HydrophobicContact CD2-CG2 4.24Å; Y339-I389 HydrophobicContact CE1-CD1 4.46Å; Y339-I389 HydrophobicContact CE2-CD1 4.31Å; Y339-I389 HydrophobicContact CG-CD1 4.12Å; Y339-M408 HydrophobicContact CE1-CE 4.04Å; Y339-M408 HydrophobicContact CE2-CB 4.41Å; Y339-M408 HydrophobicContact CE2-CE 4.49Å; Y339-M408 VanDerWaalsContact CE2-O 3.23Å; Y339-M408 WeakPolarHBondContact CE2-O 3.36Å; Y339-M408 WeakPolarHBondContact OH-CE 3.35Å; Y339-M408 PolarHBondContact OH-O 2.71Å
340D95Very high91.1Very high85 Ų8552.5 Ų52.546%0.45528%0.278SS..EExtended strand (participates in β ladder)trans-79.794.2173.4-63.3-53.8000109.9L320 R321 F342 K409L320-D340 CarbonylContact O-C 3.37Å; R321-D340 WeakPolarHBondContact CD-OD1 3.36Å; R321-D340 WeakPolarHBondContact CG-OD1 3.4Å; D340-F342 HydrophobicContact CB-CD2 4.3Å; D340-F342 HydrophobicContact CB-CE1 4.4Å; D340-F342 HydrophobicContact CB-CE2 3.65Å; D340-F342 HydrophobicContact CB-CZ 3.7Å; D340-F342 WeakPolarHBondContact O-CD2 3.04Å; D340-F342 WeakPolarHBondContact O-CE2 3.39Å; D340-K409 WeakPolarHBondContact O-CB 3.44Å
341A94.8Very high91Very high8 Ų851.5 Ų51.57%0.06628%0.277CS..  trans-75.2-34.3177.300000112.1L320 V322 Y339 K409 V410L320-A341 PolarHBondContact O-N 3.33Å; V322-A341 HydrophobicContact CB-CB 4.32Å; V322-A341 HydrophobicContact CG2-CB 3.6Å; Y339-A341 HydrophobicContact CD2-CB 4.22Å; Y339-A341 HydrophobicContact CE2-CB 3.51Å; Y339-A341 PolarHBondContact O-N 3.28Å; A341-K409 CarbonylContact O-C 3.57Å; A341-K409 VanDerWaalsContact O-CA 3.27Å; A341-K409 WeakPolarHBondContact O-CA 3.3Å; A341-V410 PolarHBondContact O-N 2.98Å
342F96.3Very high90.7Very high52 Ų5249.3 Ų49.323%0.22826%0.259CS..  trans58.2164-167.7-51.5-81.7000113R317 T318 L320 D340 V410R317-F342 HydrophobicContact CG-CB 3.89Å; R317-F342 HydrophobicContact CG-CG 4.41Å; R317-F342 VanDerWaalsContact NH1-CE2 3.31Å; R317-F342 VanDerWaalsContact NH1-CZ 3.27Å; T318-F342 VanDerWaalsContact O-CA 3.3Å; T318-F342 WeakPolarHBondContact O-CA 3.27Å; T318-F342 WeakPolarHBondContact O-CB 3.5Å; L320-F342 PolarHBondContact O-N 2.91Å; D340-F342 HydrophobicContact CB-CD2 4.3Å; D340-F342 HydrophobicContact CB-CE1 4.4Å; D340-F342 HydrophobicContact CB-CE2 3.65Å; D340-F342 HydrophobicContact CB-CZ 3.7Å; D340-F342 WeakPolarHBondContact O-CD2 3.04Å; D340-F342 WeakPolarHBondContact O-CE2 3.39Å; F342-V410 HydrophobicContact CB-CB 4.04Å
343E95.3Very high90.2Very high68 Ų6851.8 Ų51.832%0.31828%0.275SS..EExtended strand (participates in β ladder)trans-143161.9176.869.4179.2-177.300110.4R317 T318 L320R317-E343 CarbonylContact C-O 3.54Å; R317-E343 WeakPolarHBondContact CA-O 3.45Å; T318-E343 PolarHBondContact N-O 2.99Å; T318-E343 PolarHBondContact O-N 3.42Å; T318-E343 WeakPolarHBondContact OG1-CG 3.39Å; T318-E343 PolarHBondContact OG1-O 3.5Å; T318-E343 PolarHBondContact OG1-OE1 3.1Å; L320-E343 HydrophobicContact CB-CB 4.2Å; L320-E343 HydrophobicContact CB-CG 4.24Å; L320-E343 HydrophobicContact CD2-CB 4.03Å
344C93.9Very high89.1Confident26 Ų2658.3 Ų58.318%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-98.7121.6171.3-64.70000109.9P383 V410 C413C344-P383 WeakPolarHBondContact SG-CA 3.4Å; C344-V410 VanDerWaalsContact SG-CG1 3.56Å; C344-C413 WeakPolarHBondContact CA-SG 3.37Å; C344-C413 HydrophobicContact CB-CB 3.85Å; C344-C413 WeakPolarHBondContact CB-SG 3.48Å; C344-C413 VanDerWaalsContact SG-CA 3.53Å; C344-C413 WeakPolarHBondContact SG-CB 2.99Å; C344-C413 CovalentContact SG-SG 2.04Å; C344-C413 PolarHBondContact SG-SG 3.28Å
345R93.3Very high88.1Confident162 Ų16264.6 Ų64.661%0.61134%0.336SS*.EExtended strand (participates in β ladder)trans-136.2146.8-178.7-169.3173.9176.4171.9-0.7110.8R316 T318R316-R345 PolarHBondContact N-O 3.27Å; R316-R345 PolarHBondContact O-N 3.47Å; R316-R345 VanDerWaalsContact O-O 3.1Å; T318-R345 HydrophobicContact CG2-CB 4.16Å
346G90.3Very high87Confident29 Ų2964.3 Ų64.330%0.29933%0.333SS..SBendtrans125.7-174.417500000112.7E313E313-G346 CarbonylContact O-C 3.48Å; E313-G346 WeakPolarHBondContact O-CA 3.33Å
347V88.3Confident86.4Confident45 Ų4566 Ų6627%0.27334%0.344SS..BIsolated β-bridgetrans-114138.5-175.9-63.60000111.6E313 C315 S349 M378E313-V347 PolarHBondContact O-N 3.3Å; C315-V347 PolarHBondContact N-O 2.85Å; V347-S349 PolarHBondContact O-N 2.96Å; V347-M378 HydrophobicContact CB-CE 3.83Å; V347-M378 HydrophobicContact CG2-CE 4.49Å
348C90.1Very high85.9Confident2 Ų262.9 Ų62.91%0.01432%0.323CS..BIsolated β-bridgetrans-89.769.1174.4-67.90000110.9L352 T366 M378 A379 C415C348-L352 HydrophobicContact CB-CD2 3.97Å; C348-T366 VanDerWaalsContact O-CG2 3.25Å; C348-T366 WeakPolarHBondContact O-CG2 3.44Å; C348-M378 WeakPolarHBondContact O-CE 3.49Å; C348-A379 HydrophobicContact CB-CB 3.89Å; C348-A379 WeakPolarHBondContact CB-O 3.13Å; C348-C415 HydrophobicContact CB-CB 3.77Å; C348-C415 WeakPolarHBondContact CB-SG 3.46Å; C348-C415 VanDerWaalsContact SG-CA 3.5Å; C348-C415 WeakPolarHBondContact SG-CB 3.15Å; C348-C415 CovalentContact SG-SG 2.03Å; C348-C415 PolarHBondContact SG-SG 3.16Å
349S85.9Confident85.5Confident27 Ų2759.9 Ų59.919%0.18931%0.313CS..PPolyproline II helixtrans-97.8142.3-179.759.70000112.3V347 P351 M378V347-S349 PolarHBondContact O-N 2.96Å; S349-P351 CarbonylContact O-C 3.59Å; S349-M378 VanDerWaalsContact CA-CE 3.44Å; S349-M378 VanDerWaalsContact N-CE 3.3Å
350Y80.8Confident85.1Confident123 Ų12365.9 Ų65.948%0.48234%0.335SS..SBendtrans-67137.1175.5-170.5-91.3000111.8L367 L370Y350-L367 HydrophobicContact CD1-CD2 4.27Å; Y350-L367 HydrophobicContact CD2-CD2 3.48Å; Y350-L367 VanDerWaalsContact CD2-CD2 3.48Å; Y350-L367 HydrophobicContact CD2-CG 4.02Å; Y350-L367 HydrophobicContact CE1-CD2 4.33Å; Y350-L367 HydrophobicContact CE2-CD2 3.58Å; Y350-L367 HydrophobicContact CE2-CG 4.19Å; Y350-L367 HydrophobicContact CG-CD2 3.85Å; Y350-L370 HydrophobicContact CD1-CD2 4.39Å
351P82.3Confident84.8Confident70 Ų7067.6 Ų67.646%0.45534%0.34SS..SBendcis-76.3130.11.331.1-33.3000112.2S349S349-P351 CarbonylContact O-C 3.59Å
352L80.6Confident84.5Confident27 Ų2767.2 Ų67.214%0.14134%0.337CS..PPolyproline II helixtrans-71.9132.5170-59.3174.4000107.7C348 P358 I363 T366 C415C348-L352 HydrophobicContact CB-CD2 3.97Å; L352-P358 HydrophobicContact CB-CB 4.04Å; L352-P358 HydrophobicContact CB-CG 3.8Å; L352-P358 HydrophobicContact CD1-CB 3.56Å; L352-P358 HydrophobicContact CD1-CG 4.18Å; L352-P358 HydrophobicContact CG-CB 4.36Å; L352-I363 HydrophobicContact CD1-CG1 4.04Å; L352-T366 HydrophobicContact CD2-CG2 4.42Å; L352-T366 HydrophobicContact CG-CG2 4.48Å; L352-C415 HydrophobicContact CD2-CB 4.45Å
353T74.5Confident84.1Confident55 Ų5567.3 Ų67.334%0.33734%0.339SS..PPolyproline II helixtrans-94.3157.5178.856.80000110.2E355 S356 P358T353-E355 PolarHBondContact O-N 3.08Å; T353-S356 PolarHBondContact N-OG 3.43Å; T353-S356 PolarHBondContact O-N 3.1Å; T353-S356 PolarHBondContact O-OG 2.99Å; T353-P358 WeakPolarHBondContact O-CD 3.4Å
354D68.6Low83.8Confident147 Ų14769 Ų6979%0.78635%0.349SS*.G310 helixtrans-59.6-26175-64.8-25.8000112.1S356 T357D354-S356 PolarHBondContact O-N 2.91Å; D354-T357 WeakPolarHBondContact O-CA 3.35Å; D354-T357 VanDerWaalsContact O-CG2 3.3Å; D354-T357 WeakPolarHBondContact O-CG2 3.15Å; D354-T357 PolarHBondContact O-N 3.34Å
355E70.4Confident83.6Confident175 Ų17569.6 Ų69.682%0.81835%0.35SS*.G310 helixtrans-61.1-25.8173-60.8-178.716800113.3T353T353-E355 PolarHBondContact O-N 3.08Å
356S72.4Confident83.3Confident5 Ų562.1 Ų62.14%0.03532%0.322CS..G310 helixtrans-93.74.7175.168.30000113.2T353 D354 P358 G414 C415T353-S356 PolarHBondContact N-OG 3.43Å; T353-S356 PolarHBondContact O-N 3.1Å; T353-S356 PolarHBondContact O-OG 2.99Å; D354-S356 PolarHBondContact O-N 2.91Å; S356-P358 VanDerWaalsContact C-CD 3.44Å; S356-P358 VanDerWaalsContact C-N 3.26Å; S356-G414 CarbonylContact O-C 3.34Å; S356-G414 WeakPolarHBondContact O-CA 3.45Å; S356-C415 PolarHBondContact O-N 3.19Å
357T80.4Confident83.3Confident56 Ų5664.2 Ų64.234%0.34433%0.326SS..  trans35.550.9175.554.40000113.9D354 I384 C413 R416D354-T357 WeakPolarHBondContact O-CA 3.35Å; D354-T357 VanDerWaalsContact O-CG2 3.3Å; D354-T357 WeakPolarHBondContact O-CG2 3.15Å; D354-T357 PolarHBondContact O-N 3.34Å; T357-I384 HydrophobicContact CG2-CD1 4.4Å; T357-I384 WeakPolarHBondContact OG1-CD1 3.26Å; T357-C413 PolarHBondContact OG1-O 2.84Å; T357-R416 PolarHBondContact O-NH1 3.19Å
358P83.5Confident83.4Confident28 Ų2866.3 Ų66.318%0.18234%0.335CS..  trans-69.3141-166.431.4-38.6000111.4L352 T353 S356 A362 I363 C415L352-P358 HydrophobicContact CB-CB 4.04Å; L352-P358 HydrophobicContact CB-CG 3.8Å; L352-P358 HydrophobicContact CD1-CB 3.56Å; L352-P358 HydrophobicContact CD1-CG 4.18Å; L352-P358 HydrophobicContact CG-CB 4.36Å; T353-P358 WeakPolarHBondContact O-CD 3.4Å; S356-P358 VanDerWaalsContact C-CD 3.44Å; S356-P358 VanDerWaalsContact C-N 3.26Å; P358-A362 HydrophobicContact CB-CB 4.43Å; P358-I363 HydrophobicContact CB-CG1 3.99Å; P358-I363 HydrophobicContact CG-CD1 4.16Å; P358-I363 HydrophobicContact CG-CG1 3.98Å; P358-C415 HydrophobicContact CB-CB 4.15Å
359S85.2Confident83.5Confident31 Ų3167.7 Ų67.722%0.21734%0.342CS..  trans-67.7156.3170.278.30000110.5H361 A362 I363 C415S359-H361 PolarHBondContact O-N 2.03Å; S359-H361 PolarHBondContact OG-N 2.03Å; S359-A362 WeakPolarHBondContact O-CB 3.26Å; S359-A362 PolarHBondContact O-N 3.46Å; S359-A362 WeakPolarHBondContact OG-CB 3.46Å; S359-A362 PolarHBondContact OG-N 3.37Å; S359-I363 WeakPolarHBondContact O-CG1 3.37Å; S359-I363 PolarHBondContact O-N 3.28Å; S359-C415 PolarHBondContact N-O 3.45Å
360R85.6Confident83.6Confident162 Ų16272 Ų7261%0.61136%0.363SS*.Hα-helixtrans-55.3-37.2172.7-65.6-178.9-175.8157.65.3111.2E277 D278 I363 I364E277-R360 PolarHBondContact O-NH2 2.9Å; D278-R360 PolarHBondContact O-NH2 2.93Å; R360-I363 PolarHBondContact O-N 3.09Å; R360-I364 WeakPolarHBondContact O-CG1 3.02Å; R360-I364 PolarHBondContact O-N 2.88Å; R360-I364 VanDerWaalsContact O-N 3.15Å
361H87.6Confident84.1Confident122 Ų12277 Ų7757%0.56538%0.38SS*.Hα-helixtrans-62.5-48.2174.3-173.378000111.7S359 I363 I364 Q365S359-H361 PolarHBondContact O-N 2.03Å; S359-H361 PolarHBondContact OG-N 2.03Å; H361-I363 VanDerWaalsContact C-N 3.29Å; H361-I363 PolarHBondContact O-N 2.84Å; H361-I364 PolarHBondContact O-N 3.24Å; H361-Q365 PolarHBondContact CD2-OE1 3.17Å; H361-Q365 PolarHBondContact NE2-OE1 3.39Å; H361-Q365 VanDerWaalsContact NE2-OE1 3.17Å; H361-Q365 VanDerWaalsContact O-CB 3.25Å; H361-Q365 WeakPolarHBondContact O-CB 3.38Å; H361-Q365 PolarHBondContact O-N 3.2Å
362A89.1Confident84.5Confident0 Ų076.1 Ų76.10%037%0.372CS..Hα-helixtrans-60.6-37.2178.800000112P358 S359 T366 A379 C415P358-A362 HydrophobicContact CB-CB 4.43Å; S359-A362 WeakPolarHBondContact O-CB 3.26Å; S359-A362 PolarHBondContact O-N 3.46Å; S359-A362 WeakPolarHBondContact OG-CB 3.46Å; S359-A362 PolarHBondContact OG-N 3.37Å; A362-T366 WeakPolarHBondContact O-CB 3.28Å; A362-T366 PolarHBondContact O-N 3.41Å; A362-T366 PolarHBondContact O-OG1 2.9Å; A362-A379 HydrophobicContact CB-CB 3.95Å; A362-C415 HydrophobicContact CB-CB 4.34Å; A362-C415 WeakPolarHBondContact CB-O 3.37Å
363I87.3Confident85Confident54 Ų5478.8 Ų78.828%0.27739%0.391SS..Hα-helixtrans-61.8-53.2174.1-64.3167.4000110.4L352 P358 S359 R360 H361 Q365 T366 L367L352-I363 HydrophobicContact CD1-CG1 4.04Å; P358-I363 HydrophobicContact CB-CG1 3.99Å; P358-I363 HydrophobicContact CG-CD1 4.16Å; P358-I363 HydrophobicContact CG-CG1 3.98Å; S359-I363 WeakPolarHBondContact O-CG1 3.37Å; S359-I363 PolarHBondContact O-N 3.28Å; R360-I363 PolarHBondContact O-N 3.09Å; H361-I363 VanDerWaalsContact C-N 3.29Å; H361-I363 PolarHBondContact O-N 2.84Å; I363-Q365 PolarHBondContact O-N 3.02Å; I363-T366 PolarHBondContact O-N 2.96Å; I363-L367 HydrophobicContact CG2-CD1 4.04Å; I363-L367 WeakPolarHBondContact O-CB 3.06Å; I363-L367 WeakPolarHBondContact O-CG 3.04Å; I363-L367 PolarHBondContact O-N 2.77Å
364I89.8Confident85.9Confident102 Ų10285.8 Ų85.852%0.52342%0.417SS..Hα-helixtrans-62.1-45.6-179.1-67170000110.6R360 H361 L367 L368R360-I364 WeakPolarHBondContact O-CG1 3.02Å; R360-I364 PolarHBondContact O-N 2.88Å; R360-I364 VanDerWaalsContact O-N 3.15Å; H361-I364 PolarHBondContact O-N 3.24Å; I364-L367 PolarHBondContact O-N 3.18Å; I364-L368 HydrophobicContact CG2-CD1 3.91Å; I364-L368 HydrophobicContact CG2-CG 4.3Å; I364-L368 WeakPolarHBondContact O-CB 3.21Å; I364-L368 WeakPolarHBondContact O-CG 3.36Å; I364-L368 PolarHBondContact O-N 3.13Å
365Q89.5Confident86.9Confident40 Ų4087 Ų8719%0.18742%0.415CS..Hα-helixtrans-61.3-45.6179.6177.7173.3-17.200111.3H361 I363 L367 L368 N369 A376 N377H361-Q365 PolarHBondContact CD2-OE1 3.17Å; H361-Q365 PolarHBondContact NE2-OE1 3.39Å; H361-Q365 VanDerWaalsContact NE2-OE1 3.17Å; H361-Q365 VanDerWaalsContact O-CB 3.25Å; H361-Q365 WeakPolarHBondContact O-CB 3.38Å; H361-Q365 PolarHBondContact O-N 3.2Å; I363-Q365 PolarHBondContact O-N 3.02Å; Q365-L367 VanDerWaalsContact C-N 3.34Å; Q365-L367 PolarHBondContact O-N 2.74Å; Q365-L368 PolarHBondContact O-N 3.08Å; Q365-N369 WeakPolarHBondContact O-CB 3.4Å; Q365-N369 PolarHBondContact O-N 2.74Å; Q365-A376 HydrophobicContact CG-CB 4.45Å; Q365-N377 WeakPolarHBondContact CG-O 3.45Å; Q365-N377 PolarHBondContact NE2-O 2.99Å
366T88Confident87.8Confident4 Ų479.5 Ų79.53%0.02538%0.383CS..Hα-helixtrans-63.9-40177.3-56.90000111.6C348 L352 A362 I363 L370C348-T366 VanDerWaalsContact O-CG2 3.25Å; C348-T366 WeakPolarHBondContact O-CG2 3.44Å; L352-T366 HydrophobicContact CD2-CG2 4.42Å; L352-T366 HydrophobicContact CG-CG2 4.48Å; A362-T366 WeakPolarHBondContact O-CB 3.28Å; A362-T366 PolarHBondContact O-N 3.41Å; A362-T366 PolarHBondContact O-OG1 2.9Å; I363-T366 PolarHBondContact O-N 2.96Å; T366-L370 WeakPolarHBondContact O-CB 3.32Å; T366-L370 PolarHBondContact O-N 2.88Å
367L88.9Confident88.6Confident74 Ų7485.2 Ų85.239%0.38741%0.413SS..Hα-helixtrans-65.9-40.6175.1-75.4172.9000112.5Y350 I363 I364 Q365 L370 R371Y350-L367 HydrophobicContact CD1-CD2 4.27Å; Y350-L367 HydrophobicContact CD2-CD2 3.48Å; Y350-L367 VanDerWaalsContact CD2-CD2 3.48Å; Y350-L367 HydrophobicContact CD2-CG 4.02Å; Y350-L367 HydrophobicContact CE1-CD2 4.33Å; Y350-L367 HydrophobicContact CE2-CD2 3.58Å; Y350-L367 HydrophobicContact CE2-CG 4.19Å; Y350-L367 HydrophobicContact CG-CD2 3.85Å; I363-L367 HydrophobicContact CG2-CD1 4.04Å; I363-L367 WeakPolarHBondContact O-CB 3.06Å; I363-L367 WeakPolarHBondContact O-CG 3.04Å; I363-L367 PolarHBondContact O-N 2.77Å; I364-L367 PolarHBondContact O-N 3.18Å; Q365-L367 VanDerWaalsContact C-N 3.34Å; Q365-L367 PolarHBondContact O-N 2.74Å; L367-L370 PolarHBondContact O-N 3.34Å; L367-R371 PolarHBondContact O-N 2.83Å; L367-R371 VanDerWaalsContact O-N 3.16Å
368L91.2Very high88.9Confident88 Ų8885.8 Ų85.846%0.46141%0.413SS..Hα-helixtrans-65.9-44.9175.9-75.9175.5000111.4I364 Q365 L370 R371 D372 A376I364-L368 HydrophobicContact CG2-CD1 3.91Å; I364-L368 HydrophobicContact CG2-CG 4.3Å; I364-L368 WeakPolarHBondContact O-CB 3.21Å; I364-L368 WeakPolarHBondContact O-CG 3.36Å; I364-L368 PolarHBondContact O-N 3.13Å; Q365-L368 PolarHBondContact O-N 3.08Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-L370 PolarHBondContact O-N 2.87Å; L368-R371 PolarHBondContact O-N 3.42Å; L368-R371 VanDerWaalsContact O-N 3.15Å; L368-D372 PolarHBondContact O-N 2.94Å; L368-A376 HydrophobicContact CB-CB 3.87Å
369N91.4Very high89.2Confident32 Ų3284.7 Ų84.717%0.17141%0.406CS..Hα-helixtrans-59.8-42.9174.7176-95.5000111.3Q365 R371 D372 P373 A376 M378Q365-N369 WeakPolarHBondContact O-CB 3.4Å; Q365-N369 PolarHBondContact O-N 2.74Å; N369-R371 PolarHBondContact O-N 3.28Å; N369-D372 CarbonylContact O-C 3.41Å; N369-D372 PolarHBondContact O-N 2.68Å; N369-P373 WeakPolarHBondContact O-CA 3.48Å; N369-P373 VanDerWaalsContact O-CD 3.22Å; N369-P373 WeakPolarHBondContact O-CD 3.3Å; N369-P373 VanDerWaalsContact O-CG 3.29Å; N369-P373 WeakPolarHBondContact O-CG 3.13Å; N369-P373 VanDerWaalsContact O-N 3.12Å; N369-A376 HydrophobicContact CB-CB 4.45Å; N369-A376 WeakPolarHBondContact CB-O 3.42Å; N369-A376 PolarHBondContact ND2-O 3.17Å; N369-M378 PolarHBondContact ND2-N 3.24Å
370L88.8Confident89.6Confident117 Ų11787 Ų8761%0.61342%0.422SS*.Hα-helixtrans-60.3-34.4176.5-174.368.8000112.4Y350 T366 L367 L368Y350-L370 HydrophobicContact CD1-CD2 4.39Å; T366-L370 WeakPolarHBondContact O-CB 3.32Å; T366-L370 PolarHBondContact O-N 2.88Å; L367-L370 PolarHBondContact O-N 3.34Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-L370 PolarHBondContact O-N 2.87Å
371R91.4Very high89.9Confident227 Ų22780.5 Ų80.586%0.85740%0.401SS*.Hα-helixtrans-80-45.1178.7-175.1173.3-177.4172.50.6112.4L367 L368 N369L367-R371 PolarHBondContact O-N 2.83Å; L367-R371 VanDerWaalsContact O-N 3.16Å; L368-R371 PolarHBondContact O-N 3.42Å; L368-R371 VanDerWaalsContact O-N 3.15Å; N369-R371 PolarHBondContact O-N 3.28Å
372D90.9Very high90.2Very high52 Ų5277 Ų7728%0.27839%0.388SS..  trans-149.593.7-177.8-170.1-8.7000110.4L368 N369 K374 K375L368-D372 PolarHBondContact O-N 2.94Å; N369-D372 CarbonylContact O-C 3.41Å; N369-D372 PolarHBondContact O-N 2.68Å; D372-K374 PolarHBondContact O-N 3.45Å; D372-K374 WeakPolarHBondContact OD1-CB 3.35Å; D372-K374 PolarHBondContact OD1-N 2.94Å; D372-K375 HydrophobicContact CB-CB 4.32Å; D372-K375 HydrophobicContact CB-CD 4.16Å; D372-K375 HydrophobicContact CB-CG 4.26Å; D372-K375 PolarHBondContact O-N 3.24Å; D372-K375 VanDerWaalsContact OD2-CD 3.27Å; D372-K375 WeakPolarHBondContact OD2-CD 3.37Å; D372-K375 WeakPolarHBondContact OD2-CE 3.29Å; D372-K375 WeakPolarHBondContact OD2-CG 3.37Å; D372-K375 IonicContact OD2-NZ 3.91Å
373P90.8Very high90.4Very high84 Ų8479.9 Ų79.955%0.54541%0.407SS..THydrogen-bonded Turntrans-61-15.5-178.7-23.932.2000114.3N369N369-P373 WeakPolarHBondContact O-CA 3.48Å; N369-P373 VanDerWaalsContact O-CD 3.22Å; N369-P373 WeakPolarHBondContact O-CD 3.3Å; N369-P373 VanDerWaalsContact O-CG 3.29Å; N369-P373 WeakPolarHBondContact O-CG 3.13Å; N369-P373 VanDerWaalsContact O-N 3.12Å
374K92.4Very high90.6Very high202 Ų20279.7 Ų79.788%0.87841%0.405SS*.THydrogen-bonded Turntrans-81.4-17.8177.8-61.8-174.6177.1-173.10112.8D372D372-K374 PolarHBondContact O-N 3.45Å; D372-K374 WeakPolarHBondContact OD1-CB 3.35Å; D372-K374 PolarHBondContact OD1-N 2.94Å
375K91.3Very high90.5Very high172 Ų17279.6 Ų79.675%0.74840%0.401SS*.THydrogen-bonded Turntrans-95.3-24.9-178.1-74-176.2-179.4-179.40113.7D372D372-K375 HydrophobicContact CB-CB 4.32Å; D372-K375 HydrophobicContact CB-CD 4.16Å; D372-K375 HydrophobicContact CB-CG 4.26Å; D372-K375 PolarHBondContact O-N 3.24Å; D372-K375 VanDerWaalsContact OD2-CD 3.27Å; D372-K375 WeakPolarHBondContact OD2-CD 3.37Å; D372-K375 WeakPolarHBondContact OD2-CE 3.29Å; D372-K375 WeakPolarHBondContact OD2-CG 3.37Å; D372-K375 IonicContact OD2-NZ 3.91Å
376A88.9Confident90.5Very high17 Ų1781 Ų8114%0.1441%0.41CS..  trans-149.8140.6179.900000109.6Q365 L368 N369Q365-A376 HydrophobicContact CG-CB 4.45Å; L368-A376 HydrophobicContact CB-CB 3.87Å; N369-A376 HydrophobicContact CB-CB 4.45Å; N369-A376 WeakPolarHBondContact CB-O 3.42Å; N369-A376 PolarHBondContact ND2-O 3.17Å
377N89.4Confident90.4Very high126 Ų12683 Ų8367%0.67442%0.421SS*.PPolyproline II helixtrans-76.9161.6170.4-68.6-25.4000110.5Q365Q365-N377 WeakPolarHBondContact CG-O 3.45Å; Q365-N377 PolarHBondContact NE2-O 2.99Å
378M85.3Confident90.4Very high67 Ų6781 Ų8133%0.3341%0.412SS..PPolyproline II helixtrans-67148171.2-165.1170.5-170.500110.2V347 C348 S349 N369V347-M378 HydrophobicContact CB-CE 3.83Å; V347-M378 HydrophobicContact CG2-CE 4.49Å; C348-M378 WeakPolarHBondContact O-CE 3.49Å; S349-M378 VanDerWaalsContact CA-CE 3.44Å; S349-M378 VanDerWaalsContact N-CE 3.3Å; N369-M378 PolarHBondContact ND2-N 3.24Å
379A90.7Very high90.3Very high6 Ų677.4 Ų77.45%0.0539%0.393CS..BIsolated β-bridgetrans-63.7151.817200000110.7C348 A362 C415 R416C348-A379 HydrophobicContact CB-CB 3.89Å; C348-A379 WeakPolarHBondContact CB-O 3.13Å; A362-A379 HydrophobicContact CB-CB 3.95Å; A379-C415 HydrophobicContact CB-CB 4.49Å; A379-R416 WeakPolarHBondContact CB-O 3.43Å
380C92.6Very high90.3Very high80 Ų8076.4 Ų76.454%0.54139%0.388SS..PPolyproline II helixtrans-96.6144.5-177.8-68.90000111.2V382 C415 R416C380-V382 HydrophobicContact CB-CG1 4.02Å; C380-C415 WeakPolarHBondContact O-CA 3.03Å; C380-R416 PolarHBondContact N-O 2.9Å; C380-R416 VanDerWaalsContact N-O 3.1Å; C380-R416 PolarHBondContact O-N 2.9Å; C380-R416 VanDerWaalsContact O-N 3.08Å
381C93.2Very high90.5Very high24 Ų2470.8 Ų70.816%0.16236%0.359CS..EExtended strand (participates in β ladder)trans-85.9111.7171.1-175.60000108.9C315C315-C381 WeakPolarHBondContact CA-SG 3.48Å; C315-C381 HydrophobicContact CB-CB 3.64Å; C315-C381 WeakPolarHBondContact CB-SG 2.99Å; C315-C381 WeakPolarHBondContact SG-CA 3.38Å; C315-C381 WeakPolarHBondContact SG-CB 3.02Å; C315-C381 CovalentContact SG-SG 2.03Å; C315-C381 PolarHBondContact SG-SG 3.01Å
382V94.4Very high90.6Very high49 Ų4960.2 Ų60.230%0.29732%0.319SS..EExtended strand (participates in β ladder)trans-135.2157.2-173-62.90000111.6C380 I384 C413 G414 R416C380-V382 HydrophobicContact CB-CG1 4.02Å; V382-I384 PolarHBondContact O-N 3.34Å; V382-C413 WeakPolarHBondContact O-CA 3.1Å; V382-G414 PolarHBondContact N-O 3.05Å; V382-G414 PolarHBondContact O-N 3.26Å; V382-R416 HydrophobicContact CG2-CB 3.79Å; V382-R416 HydrophobicContact CG2-CG 3.57Å
383P93.1Very high90.7Very high61 Ų6157.8 Ų57.840%0.39631%0.306SS..EExtended strand (participates in β ladder)trans-60.5132168.5-20.432.7000110.1C344 L386 V410C344-P383 WeakPolarHBondContact SG-CA 3.4Å; P383-L386 HydrophobicContact CB-CD2 3.91Å; P383-L386 HydrophobicContact CB-CG 4.39Å; P383-V410 HydrophobicContact CB-CG1 4.21Å; P383-V410 HydrophobicContact CB-CG2 4.13Å; P383-V410 HydrophobicContact CG-CG2 3.87Å
384I89.9Confident90.6Very high49 Ų4955.3 Ų55.325%0.25129%0.286SS..EExtended strand (participates in β ladder)trans-114.6-13.3175.559.6156.7000112.1T357 V382 E412 R416T357-I384 HydrophobicContact CG2-CD1 4.4Å; T357-I384 WeakPolarHBondContact OG1-CD1 3.26Å; V382-I384 PolarHBondContact O-N 3.34Å; I384-E412 HydrophobicContact CD1-CB 4.14Å; I384-E412 HydrophobicContact CG1-CB 3.84Å; I384-E412 WeakPolarHBondContact CG1-O 3.46Å; I384-E412 PolarHBondContact N-O 3.38Å; I384-R416 HydrophobicContact CG2-CG 4.23Å
385K89.3Confident90.1Very high100 Ų10046.2 Ų46.244%0.43525%0.247SC..EExtended strand (participates in β ladder)trans-145.4129.6172.1-169.7-179.1179175.40108.9A411 E412K385-A411 HydrophobicContact CB-CB 4.18Å; K385-A411 HydrophobicContact CD-CB 4.12Å; K385-A411 HydrophobicContact CG-CB 4.01Å; K385-A411 PolarHBondContact O-N 2.88Å; K385-E412 HydrophobicContact CB-CB 3.85Å; K385-E412 HydrophobicContact CB-CG 4.17Å; K385-E412 HydrophobicContact CD-CG 4.15Å; K385-E412 VanDerWaalsContact CD-OE1 3.26Å; K385-E412 WeakPolarHBondContact CD-OE1 3.21Å; K385-E412 PolarHBondContact N-O 3.04Å; K385-E412 IonicContact NZ-OE1 3.37Å; K385-E412 PolarHBondContact NZ-OE1 2.92Å; K385-E412 PolarHBondContact O-N 3.41Å
386L88.3Confident89.6Confident71 Ų7143.9 Ų43.937%0.37224%0.243SC..EExtended strand (participates in β ladder)trans-116.2140.9174.3-61.3164.2000107.9P383 E407 K409 V410P383-L386 HydrophobicContact CB-CD2 3.91Å; P383-L386 HydrophobicContact CB-CG 4.39Å; L386-E407 HydrophobicContact CB-CB 4.47Å; L386-E407 HydrophobicContact CD1-CB 3.78Å; L386-E407 HydrophobicContact CD1-CG 3.92Å; L386-K409 CarbonylContact C-O 3.54Å; L386-K409 VanDerWaalsContact CA-O 3.26Å; L386-K409 WeakPolarHBondContact CA-O 3.25Å; L386-V410 HydrophobicContact CD2-CB 4.48Å; L386-V410 HydrophobicContact CD2-CG2 3.94Å
387D87.2Confident89.1Confident46 Ų4645 Ų4525%0.24626%0.256CS..EExtended strand (participates in β ladder)trans-107.9156.5175.4-82.4-2.9000109.6M408 K409 A411D387-M408 PolarHBondContact O-N 3.2Å; D387-K409 HydrophobicContact CB-CD 3.99Å; D387-K409 HydrophobicContact CB-CG 3.61Å; D387-K409 VanDerWaalsContact CG-CE 3.49Å; D387-K409 PolarHBondContact N-O 2.82Å; D387-K409 WeakPolarHBondContact O-CG 3.26Å; D387-K409 PolarHBondContact O-N 2.93Å; D387-K409 VanDerWaalsContact O-N 3.12Å; D387-K409 WeakPolarHBondContact OD2-CE 3.25Å; D387-K409 IonicContact OD2-NZ 3.39Å; D387-K409 PolarHBondContact OD2-NZ 3.08Å; D387-A411 HydrophobicContact CB-CB 4.38Å; D387-A411 WeakPolarHBondContact OD1-CB 3.34Å
388P87.8Confident89Confident31 Ų3139.9 Ų39.920%0.20123%0.227CC..EExtended strand (participates in β ladder)trans-81163.9175.830.7-33.9000113.9R101 L404 Y405R101-P388 PolarHBondContact NH1-O 3.28Å; R101-P388 PolarHBondContact NH2-O 2.84Å; P388-L404 HydrophobicContact CB-CB 4.33Å; P388-L404 HydrophobicContact CB-CD2 4.19Å; P388-L404 HydrophobicContact CG-CD2 3.73Å; P388-Y405 CarbonylContact C-O 3.56Å; P388-Y405 WeakPolarHBondContact CA-O 3.45Å; P388-Y405 VanDerWaalsContact CB-O 3.3Å; P388-Y405 WeakPolarHBondContact CB-O 3.04Å
389I89.9Confident89.3Confident12 Ų1237 Ų376%0.06221%0.213CC..EExtended strand (participates in β ladder)trans-125.4160.7165.269.7174.4000110.9F324 Y339 V391 Y405 M408 K409F324-I389 HydrophobicContact CZ-CD1 4.46Å; Y339-I389 HydrophobicContact CD1-CD1 4.28Å; Y339-I389 HydrophobicContact CD2-CD1 4.14Å; Y339-I389 HydrophobicContact CD2-CG2 4.24Å; Y339-I389 HydrophobicContact CE1-CD1 4.46Å; Y339-I389 HydrophobicContact CE2-CD1 4.31Å; Y339-I389 HydrophobicContact CG-CD1 4.12Å; I389-V391 HydrophobicContact CD1-CG2 3.83Å; I389-V391 HydrophobicContact CG1-CG2 3.72Å; I389-Y405 PolarHBondContact N-O 3.14Å; I389-Y405 WeakPolarHBondContact O-CB 2.96Å; I389-Y405 PolarHBondContact O-N 3.21Å; I389-M408 HydrophobicContact CB-CB 4.45Å; I389-M408 HydrophobicContact CD1-CB 4.04Å; I389-M408 HydrophobicContact CD1-CE 3.7Å; I389-M408 HydrophobicContact CD1-CG 4.12Å; I389-M408 HydrophobicContact CG1-CB 3.79Å; I389-M408 HydrophobicContact CG1-CE 4.42Å; I389-M408 HydrophobicContact CG1-CG 3.84Å; I389-M408 HydrophobicContact CG2-CB 4.05Å; I389-K409 HydrophobicContact CG2-CD 4.35Å
390T90.8Very high89.4Confident11 Ų1136.7 Ų36.77%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-89.1132.8169.8-57.60000109.1Y94 P336 I401 R402 Y403Y94-T390 HydrophobicContact CD2-CG2 3.95Å; Y94-T390 HydrophobicContact CE2-CG2 3.93Å; P336-T390 WeakPolarHBondContact CD-O 2.93Å; T390-I401 HydrophobicContact CG2-CG2 3.98Å; T390-R402 CarbonylContact C-O 3.33Å; T390-R402 WeakPolarHBondContact CA-O 3.46Å; T390-R402 WeakPolarHBondContact CG2-O 3.37Å; T390-Y403 WeakPolarHBondContact CA-O 3.24Å; T390-Y403 PolarHBondContact OG1-O 3.15Å
391V92.3Very high89.4Confident0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-128.4133.4-177.9-1740000110I333 I389 Y393 I401 R402 Y405I333-V391 HydrophobicContact CG2-CG1 4.15Å; I389-V391 HydrophobicContact CD1-CG2 3.83Å; I389-V391 HydrophobicContact CG1-CG2 3.72Å; V391-Y393 HydrophobicContact CG1-CD1 4.25Å; V391-I401 CarbonylContact O-C 3.49Å; V391-I401 WeakPolarHBondContact O-CA 3.29Å; V391-R402 PolarHBondContact N-O 3.04Å; V391-R402 PolarHBondContact O-N 2.93Å; V391-Y405 HydrophobicContact CG2-CD1 4.08Å; V391-Y405 HydrophobicContact CG2-CG 4.17Å
392M94.1Very high89.3Confident4 Ų433.2 Ų33.22%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-107.7124.1168.1-178.2174.952.700109.2P86 Y94 V334 A335 I399 T400 I401P86-M392 HydrophobicContact CB-CE 4.25Å; P86-M392 HydrophobicContact CB-SD 3.95Å; P86-M392 HydrophobicContact CG-CE 4.25Å; Y94-M392 HydrophobicContact CD2-CB 3.81Å; Y94-M392 HydrophobicContact CE2-CB 4.32Å; Y94-M392 HydrophobicContact CG-CB 4.41Å; V334-M392 WeakPolarHBondContact CA-O 3.43Å; V334-M392 HydrophobicContact CB-CE 3.96Å; V334-M392 HydrophobicContact CB-CG 4.2Å; V334-M392 HydrophobicContact CG1-CE 3.6Å; V334-M392 PolarHBondContact N-O 2.93Å; A335-M392 HydrophobicContact CB-CB 4.17Å; A335-M392 HydrophobicContact CB-CE 3.65Å; A335-M392 PolarHBondContact N-O 3.28Å; A335-M392 PolarHBondContact O-N 3.47Å; M392-I399 HydrophobicContact CG-CG2 3.76Å; M392-I399 HydrophobicContact SD-CG2 3.8Å; M392-T400 CarbonylContact C-O 3.57Å; M392-T400 VanDerWaalsContact CA-O 3.31Å; M392-T400 WeakPolarHBondContact CA-O 3.38Å; M392-I401 HydrophobicContact CB-CG1 4.05Å; M392-I401 HydrophobicContact CG-CG1 3.84Å; M392-I401 HydrophobicContact SD-CD1 4.48Å; M392-I401 HydrophobicContact SD-CG1 4.2Å
393Y92.1Very high88.8Confident2 Ų231.5 Ų31.51%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-143165.3-175.264.8-81.8000112.2L72 L74 W332 V391 E395 T400 R402L72-Y393 HydrophobicContact CD1-CD1 4.34Å; L72-Y393 HydrophobicContact CD1-CD2 3.99Å; L72-Y393 HydrophobicContact CD1-CE1 4.28Å; L72-Y393 HydrophobicContact CD1-CE2 3.91Å; L72-Y393 HydrophobicContact CD1-CG 4.21Å; L72-Y393 HydrophobicContact CD2-CD1 4.41Å; L72-Y393 HydrophobicContact CD2-CE1 3.79Å; L72-Y393 HydrophobicContact CD2-CE2 4.49Å; L74-Y393 HydrophobicContact CD1-CD2 4.43Å; L74-Y393 HydrophobicContact CD1-CE2 4.19Å; W332-Y393 HydrophobicContact CE3-CD2 4.44Å; W332-Y393 HydrophobicContact CZ3-CG 4.42Å; W332-Y393 CarbonylContact O-C 3.58Å; W332-Y393 WeakPolarHBondContact O-CA 3.2Å; W332-Y393 WeakPolarHBondContact O-CB 3.32Å; V391-Y393 HydrophobicContact CG1-CD1 4.25Å; Y393-E395 HydrophobicContact CD2-CB 4.21Å; Y393-E395 HydrophobicContact CE2-CB 3.88Å; Y393-T400 HydrophobicContact CE1-CG2 3.86Å; Y393-T400 HydrophobicContact CE2-CG2 4.33Å; Y393-T400 PolarHBondContact N-O 2.85Å; Y393-T400 PolarHBondContact O-N 3.16Å; Y393-T400 WeakPolarHBondContact OH-CG2 3.22Å; Y393-R402 HydrophobicContact CE1-CB 4.16Å
394K89.2Confident88.3Confident31 Ų3130.7 Ų30.714%0.13516%0.163CC..EExtended strand (participates in β ladder)trans-94.3134.2174.4-61.8172.6-173.7-177.60109.5E80 I84 W332 V334 R398 I399E80-K394 WeakPolarHBondContact OE2-CD 3.01Å; I84-K394 WeakPolarHBondContact O-CE 3.4Å; I84-K394 PolarHBondContact O-NZ 3.45Å; W332-K394 PolarHBondContact O-N 3.03Å; V334-K394 HydrophobicContact CG2-CD 4.35Å; V334-K394 HydrophobicContact CG2-CG 3.81Å; K394-R398 WeakPolarHBondContact CA-O 3.47Å; K394-I399 HydrophobicContact CG-CD1 3.78Å
395E82.8Confident88Confident11 Ų1128.5 Ų28.55%0.05115%0.152CC..EExtended strand (participates in β ladder)trans-141.3124.6176.3169.3-174.7-121.300107.8L74 R111 Y393 G397 R398L74-E395 HydrophobicContact CD2-CB 4.13Å; L74-E395 HydrophobicContact CD2-CG 3.52Å; L74-E395 WeakPolarHBondContact CD2-OE1 3.42Å; R111-E395 IonicContact NE-OE2 3.25Å; R111-E395 PolarHBondContact NE-OE2 2.9Å; R111-E395 IonicContact NH2-OE2 3.24Å; Y393-E395 HydrophobicContact CD2-CB 4.21Å; Y393-E395 HydrophobicContact CE2-CB 3.88Å; E395-G397 PolarHBondContact O-N 3.49Å; E395-R398 PolarHBondContact N-O 3.4Å; E395-R398 WeakPolarHBondContact O-CG 3.45Å; E395-R398 PolarHBondContact O-N 2.81Å; E395-R398 IonicContact OE2-CZ 3.94Å; E395-R398 IonicContact OE2-NE 2.8Å; E395-R398 PolarHBondContact OE2-NE 3.28Å; E395-R398 VanDerWaalsContact OE2-NE 3.17Å; E395-R398 IonicContact OE2-NH2 3.41Å; E395-R398 PolarHBondContact OE2-NH2 3.33Å
396N79.9Confident87.7Confident123 Ų12325.9 Ų25.966%0.65814%0.141SC*.THydrogen-bonded Turntrans50.236.5172.1-57.6-36.3000115.1
397G79.3Confident87.4Confident41 Ų4126.9 Ų26.942%0.42314%0.144SC..THydrogen-bonded Turntrans80.417.518000000115E80 I84 E395E80-G397 VanDerWaalsContact OE1-CA 3.22Å; E80-G397 WeakPolarHBondContact OE1-CA 3.37Å; E80-G397 PolarHBondContact OE1-N 3.46Å; I84-G397 VanDerWaalsContact CD1-O 3.24Å; I84-G397 WeakPolarHBondContact CD1-O 3.41Å; E395-G397 PolarHBondContact O-N 3.49Å
398R86.8Confident87.5Confident18 Ų1825.7 Ų25.77%0.06814%0.137CC..EExtended strand (participates in β ladder)trans-133.7155.6176.953.6167.6-178.4-135.15.2111.9S112 F113 S134 K394 E395S112-R398 VanDerWaalsContact O-CB 3.31Å; S112-R398 WeakPolarHBondContact O-CB 3.35Å; F113-R398 VanDerWaalsContact CE1-NH1 3.26Å; S134-R398 PolarHBondContact O-NH1 2.99Å; S134-R398 PolarHBondContact O-NH2 3.15Å; S134-R398 PolarHBondContact OG-NH1 3.18Å; K394-R398 WeakPolarHBondContact CA-O 3.47Å; E395-R398 PolarHBondContact N-O 3.4Å; E395-R398 WeakPolarHBondContact O-CG 3.45Å; E395-R398 PolarHBondContact O-N 2.81Å; E395-R398 IonicContact OE2-CZ 3.94Å; E395-R398 IonicContact OE2-NE 2.8Å; E395-R398 PolarHBondContact OE2-NE 3.28Å; E395-R398 VanDerWaalsContact OE2-NE 3.17Å; E395-R398 IonicContact OE2-NH2 3.41Å; E395-R398 PolarHBondContact OE2-NH2 3.33Å
399I91.8Very high87.7Confident7 Ų726.2 Ų26.24%0.03614%0.136CC..EExtended strand (participates in β ladder)trans-90.3127.7174.7-59.6-71.5000108.9I84 P86 M90 S112 V334 M392 K394I84-I399 HydrophobicContact CG2-CD1 4.09Å; I84-I399 HydrophobicContact CG2-CG1 4.03Å; P86-I399 HydrophobicContact CB-CD1 4.33Å; P86-I399 HydrophobicContact CB-CG1 4.36Å; P86-I399 HydrophobicContact CB-CG2 4.25Å; M90-I399 HydrophobicContact CB-CG2 4.47Å; M90-I399 HydrophobicContact CE-CB 4.39Å; M90-I399 HydrophobicContact CE-CG2 3.81Å; S112-I399 PolarHBondContact N-O 3.46Å; V334-I399 HydrophobicContact CG2-CD1 4.15Å; M392-I399 HydrophobicContact CG-CG2 3.76Å; M392-I399 HydrophobicContact SD-CG2 3.8Å; K394-I399 HydrophobicContact CG-CD1 3.78Å
400T93.2Very high87.9Confident0 Ų026.2 Ų26.20%014%0.137CC..EExtended strand (participates in β ladder)trans-125133.9-179-57.10000109.6V109 I110 R111 M392 Y393V109-T400 HydrophobicContact CG1-CG2 3.62Å; I110-T400 CarbonylContact O-C 3.47Å; I110-T400 VanDerWaalsContact O-CA 3.28Å; I110-T400 WeakPolarHBondContact O-CA 3.3Å; R111-T400 HydrophobicContact CG-CG2 3.87Å; M392-T400 CarbonylContact C-O 3.57Å; M392-T400 VanDerWaalsContact CA-O 3.31Å; M392-T400 WeakPolarHBondContact CA-O 3.38Å; Y393-T400 HydrophobicContact CE1-CG2 3.86Å; Y393-T400 HydrophobicContact CE2-CG2 4.33Å; Y393-T400 PolarHBondContact N-O 2.85Å; Y393-T400 PolarHBondContact O-N 3.16Å; Y393-T400 WeakPolarHBondContact OH-CG2 3.22Å
401I92.8Very high88Confident2 Ų226.9 Ų26.91%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-111.1129.6171.3-58.8165000107.5M90 L93 Y94 V109 I110 T390 V391 M392M90-I401 HydrophobicContact CE-CD1 3.56Å; M90-I401 HydrophobicContact CE-CG1 3.78Å; M90-I401 WeakPolarHBondContact O-CD1 3.35Å; M90-I401 HydrophobicContact SD-CD1 4.24Å; L93-I401 HydrophobicContact CB-CD1 4.1Å; Y94-I401 HydrophobicContact CD2-CG2 4.45Å; V109-I401 CarbonylContact C-O 3.6Å; V109-I401 WeakPolarHBondContact CA-O 3.46Å; I110-I401 HydrophobicContact CB-CB 4.16Å; I110-I401 HydrophobicContact CD1-CB 4.46Å; I110-I401 HydrophobicContact CD1-CD1 4.38Å; I110-I401 HydrophobicContact CG1-CB 4.48Å; I110-I401 PolarHBondContact N-O 2.67Å; I110-I401 PolarHBondContact O-N 2.98Å; T390-I401 HydrophobicContact CG2-CG2 3.98Å; V391-I401 CarbonylContact O-C 3.49Å; V391-I401 WeakPolarHBondContact O-CA 3.29Å; M392-I401 HydrophobicContact CB-CG1 4.05Å; M392-I401 HydrophobicContact CG-CG1 3.84Å; M392-I401 HydrophobicContact SD-CD1 4.48Å; M392-I401 HydrophobicContact SD-CG1 4.2Å
402R90.1Very high87.9Confident28 Ų2830.9 Ų30.911%0.10616%0.162CC..EExtended strand (participates in β ladder)trans-115.2122.1171.8-172.5163.9-178.1164.54.7109.6Q71 D108 T390 V391 Y393Q71-R402 PolarHBondContact O-NH1 2.8Å; D108-R402 WeakPolarHBondContact O-CA 3.11Å; T390-R402 CarbonylContact C-O 3.33Å; T390-R402 WeakPolarHBondContact CA-O 3.46Å; T390-R402 WeakPolarHBondContact CG2-O 3.37Å; V391-R402 PolarHBondContact N-O 3.04Å; V391-R402 PolarHBondContact O-N 2.93Å; Y393-R402 HydrophobicContact CE1-CB 4.16Å
403Y84.9Confident87.9Confident14 Ų1431.1 Ų31.16%0.05516%0.164CC..EExtended strand (participates in β ladder)trans-72.5-48.1-173.3-177.9-113.1000112.9Y97 N100 P105 D108 T390Y97-Y403 HydrophobicContact CD1-CD2 4.34Å; Y97-Y403 HydrophobicContact CD1-CE2 4.19Å; Y97-Y403 HydrophobicContact CG-CD2 4.32Å; Y97-Y403 HydrophobicContact CG-CE2 4.43Å; Y97-Y403 WeakPolarHBondContact O-CE2 3.25Å; N100-Y403 PolarHBondContact O-OH 3.47Å; P105-Y403 HydrophobicContact CG-CD1 3.18Å; P105-Y403 HydrophobicContact CG-CD2 4.01Å; P105-Y403 HydrophobicContact CG-CE1 3.46Å; P105-Y403 VanDerWaalsContact CG-CE1 3.46Å; P105-Y403 HydrophobicContact CG-CE2 4.14Å; P105-Y403 HydrophobicContact CG-CG 3.52Å; D108-Y403 PolarHBondContact O-N 2.96Å; T390-Y403 WeakPolarHBondContact CA-O 3.24Å; T390-Y403 PolarHBondContact OG1-O 3.15Å
404L81Confident87.8Confident43 Ų4331 Ų3123%0.22516%0.164CC..EExtended strand (participates in β ladder)trans-112.192.6178.2-58.6173.3000108.9P388P388-L404 HydrophobicContact CB-CB 4.33Å; P388-L404 HydrophobicContact CB-CD2 4.19Å; P388-L404 HydrophobicContact CG-CD2 3.73Å
405Y83.8Confident87.9Confident3 Ų329.6 Ų29.61%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-97.7102.1164.9-163.6-111000108.3F68 Q71 L72 P388 I389 V391 M408F68-Y405 WeakPolarHBondContact CD1-OH 3.44Å; F68-Y405 AromaticContact CD2-CE1 3.77Å; F68-Y405 HydrophobicContact CD2-CE1 3.77Å; F68-Y405 AromaticContact CD2-CZ 3.9Å; F68-Y405 WeakPolarHBondContact CD2-OH 3.46Å; F68-Y405 HydrophobicContact CE1-CE1 4.1Å; F68-Y405 AromaticContact CE1-CZ 3.8Å; F68-Y405 VanDerWaalsContact CE1-OH 3.29Å; F68-Y405 WeakPolarHBondContact CE1-OH 3.42Å; F68-Y405 HydrophobicContact CE2-CD1 4.12Å; F68-Y405 AromaticContact CE2-CE1 3.12Å; F68-Y405 HydrophobicContact CE2-CE1 3.12Å; F68-Y405 AromaticContact CE2-CZ 3.58Å; F68-Y405 VanDerWaalsContact CE2-OH 3.28Å; F68-Y405 WeakPolarHBondContact CE2-OH 3.44Å; F68-Y405 VanDerWaalsContact CG-OH 3.23Å; F68-Y405 WeakPolarHBondContact CG-OH 3.49Å; F68-Y405 HydrophobicContact CZ-CD1 4.13Å; F68-Y405 AromaticContact CZ-CE1 3.3Å; F68-Y405 HydrophobicContact CZ-CE1 3.3Å; F68-Y405 AromaticContact CZ-CZ 3.49Å; F68-Y405 VanDerWaalsContact CZ-CZ 3.49Å; F68-Y405 WeakPolarHBondContact CZ-OH 3.27Å; F68-Y405 PolarHBondContact O-OH 2.88Å; Q71-Y405 HydrophobicContact CB-CE2 3.87Å; Q71-Y405 WeakPolarHBondContact CB-OH 3.26Å; Q71-Y405 PolarHBondContact OE1-OH 2.85Å; L72-Y405 HydrophobicContact CD2-CD2 3.5Å; L72-Y405 HydrophobicContact CD2-CE2 3.19Å; L72-Y405 HydrophobicContact CD2-CG 4.46Å; L72-Y405 HydrophobicContact CG-CD2 4.37Å; L72-Y405 HydrophobicContact CG-CE2 3.57Å; P388-Y405 CarbonylContact C-O 3.56Å; P388-Y405 WeakPolarHBondContact CA-O 3.45Å; P388-Y405 VanDerWaalsContact CB-O 3.3Å; P388-Y405 WeakPolarHBondContact CB-O 3.04Å; I389-Y405 PolarHBondContact N-O 3.14Å; I389-Y405 WeakPolarHBondContact O-CB 2.96Å; I389-Y405 PolarHBondContact O-N 3.21Å; V391-Y405 HydrophobicContact CG2-CD1 4.08Å; V391-Y405 HydrophobicContact CG2-CG 4.17Å; Y405-M408 HydrophobicContact CD1-CE 4.15Å; Y405-M408 HydrophobicContact CD1-CG 3.41Å; Y405-M408 VanDerWaalsContact CD1-CG 3.41Å; Y405-M408 HydrophobicContact CD1-SD 3.58Å; Y405-M408 VanDerWaalsContact CD1-SD 3.58Å; Y405-M408 HydrophobicContact CE1-CE 4.19Å; Y405-M408 HydrophobicContact CE1-CG 3.9Å; Y405-M408 HydrophobicContact CE1-SD 3.44Å; Y405-M408 WeakPolarHBondContact CE1-SD 3.3Å; Y405-M408 HydrophobicContact CG-CG 4.4Å; Y405-M408 WeakPolarHBondContact O-CG 3.32Å
406E83.6Confident88.3Confident46 Ų4633 Ų3322%0.21517%0.17CC..EExtended strand (participates in β ladder)trans-68.2164-169-61.1168.8-157.800113.1E264 M408E264-E406 VanDerWaalsContact CD-OE2 3.27Å; E264-E406 WeakPolarHBondContact OE1-CG 3.17Å; E264-E406 VanDerWaalsContact OE2-CD 3.23Å; E406-M408 WeakPolarHBondContact O-CG 3.38Å; E406-M408 PolarHBondContact O-N 3.04Å; E406-M408 VanDerWaalsContact O-N 3.17Å
407E82.6Confident88.7Confident92 Ų9228.5 Ų28.543%0.4315%0.145SC..EExtended strand (participates in β ladder)trans61.223.3171.4-61.2-173.6156.200115.8Q71 K267 L386Q71-E407 PolarHBondContact NE2-OE2 2.93Å; K267-E407 IonicContact NZ-OE1 3.28Å; K267-E407 PolarHBondContact NZ-OE1 3.33Å; L386-E407 HydrophobicContact CB-CB 4.47Å; L386-E407 HydrophobicContact CD1-CB 3.78Å; L386-E407 HydrophobicContact CD1-CG 3.92Å
408M88.4Confident89.2Confident21 Ų2127.8 Ų27.810%0.10313%0.131CC..EExtended strand (participates in β ladder)trans-95.2-34.4-171.5-73.3-60.9-75.800116.3F68 F324 Y339 D387 I389 Y405 E406F68-M408 HydrophobicContact CE2-CE 3.93Å; F68-M408 HydrophobicContact CE2-SD 4.07Å; F324-M408 HydrophobicContact CE1-CE 4.22Å; F324-M408 HydrophobicContact CZ-CE 4.12Å; Y339-M408 HydrophobicContact CE1-CE 4.04Å; Y339-M408 HydrophobicContact CE2-CB 4.41Å; Y339-M408 HydrophobicContact CE2-CE 4.49Å; Y339-M408 VanDerWaalsContact CE2-O 3.23Å; Y339-M408 WeakPolarHBondContact CE2-O 3.36Å; Y339-M408 WeakPolarHBondContact OH-CE 3.35Å; Y339-M408 PolarHBondContact OH-O 2.71Å; D387-M408 PolarHBondContact O-N 3.2Å; I389-M408 HydrophobicContact CB-CB 4.45Å; I389-M408 HydrophobicContact CD1-CB 4.04Å; I389-M408 HydrophobicContact CD1-CE 3.7Å; I389-M408 HydrophobicContact CD1-CG 4.12Å; I389-M408 HydrophobicContact CG1-CB 3.79Å; I389-M408 HydrophobicContact CG1-CE 4.42Å; I389-M408 HydrophobicContact CG1-CG 3.84Å; I389-M408 HydrophobicContact CG2-CB 4.05Å; Y405-M408 HydrophobicContact CD1-CE 4.15Å; Y405-M408 HydrophobicContact CD1-CG 3.41Å; Y405-M408 VanDerWaalsContact CD1-CG 3.41Å; Y405-M408 HydrophobicContact CD1-SD 3.58Å; Y405-M408 VanDerWaalsContact CD1-SD 3.58Å; Y405-M408 HydrophobicContact CE1-CE 4.19Å; Y405-M408 HydrophobicContact CE1-CG 3.9Å; Y405-M408 HydrophobicContact CE1-SD 3.44Å; Y405-M408 WeakPolarHBondContact CE1-SD 3.3Å; Y405-M408 HydrophobicContact CG-CG 4.4Å; Y405-M408 WeakPolarHBondContact O-CG 3.32Å; E406-M408 WeakPolarHBondContact O-CG 3.38Å; E406-M408 PolarHBondContact O-N 3.04Å; E406-M408 VanDerWaalsContact O-N 3.17Å
409K92.5Very high89.3Confident42 Ų4228.4 Ų28.418%0.18313%0.134CC..EExtended strand (participates in β ladder)trans-126.5138.618071.9178.3-175.3163.80111.2D340 A341 L386 D387 I389 A411D340-K409 WeakPolarHBondContact O-CB 3.44Å; A341-K409 CarbonylContact O-C 3.57Å; A341-K409 VanDerWaalsContact O-CA 3.27Å; A341-K409 WeakPolarHBondContact O-CA 3.3Å; L386-K409 CarbonylContact C-O 3.54Å; L386-K409 VanDerWaalsContact CA-O 3.26Å; L386-K409 WeakPolarHBondContact CA-O 3.25Å; D387-K409 HydrophobicContact CB-CD 3.99Å; D387-K409 HydrophobicContact CB-CG 3.61Å; D387-K409 VanDerWaalsContact CG-CE 3.49Å; D387-K409 PolarHBondContact N-O 2.82Å; D387-K409 WeakPolarHBondContact O-CG 3.26Å; D387-K409 PolarHBondContact O-N 2.93Å; D387-K409 VanDerWaalsContact O-N 3.12Å; D387-K409 WeakPolarHBondContact OD2-CE 3.25Å; D387-K409 IonicContact OD2-NZ 3.39Å; D387-K409 PolarHBondContact OD2-NZ 3.08Å; I389-K409 HydrophobicContact CG2-CD 4.35Å; K409-A411 PolarHBondContact O-N 3.48Å
410V94.8Very high89.1Confident12 Ų1229.6 Ų29.67%0.07314%0.14CC..EExtended strand (participates in β ladder)trans-69.6119.3174.1-1790000109.5R317 A341 F342 C344 P383 L386R317-V410 WeakPolarHBondContact CD-O 3.36Å; R317-V410 HydrophobicContact CG-CG1 4.11Å; A341-V410 PolarHBondContact O-N 2.98Å; F342-V410 HydrophobicContact CB-CB 4.04Å; C344-V410 VanDerWaalsContact SG-CG1 3.56Å; P383-V410 HydrophobicContact CB-CG1 4.21Å; P383-V410 HydrophobicContact CB-CG2 4.13Å; P383-V410 HydrophobicContact CG-CG2 3.87Å; L386-V410 HydrophobicContact CD2-CB 4.48Å; L386-V410 HydrophobicContact CD2-CG2 3.94Å
411A91.9Very high88.9Confident24 Ų2431.5 Ų31.520%0.19815%0.149CC..EExtended strand (participates in β ladder)trans-92.2-46.4172.900000110.5R317 K385 D387 K409R317-A411 WeakPolarHBondContact CD-O 3.43Å; R317-A411 PolarHBondContact NE-O 3.36Å; K385-A411 HydrophobicContact CB-CB 4.18Å; K385-A411 HydrophobicContact CD-CB 4.12Å; K385-A411 HydrophobicContact CG-CB 4.01Å; K385-A411 PolarHBondContact O-N 2.88Å; D387-A411 HydrophobicContact CB-CB 4.38Å; D387-A411 WeakPolarHBondContact OD1-CB 3.34Å; K409-A411 PolarHBondContact O-N 3.48Å
412E91.1Very high88.6Confident84 Ų8433.5 Ų33.539%0.39316%0.158SC..EExtended strand (participates in β ladder)trans-139.8143.1-175.9-60172.3-152.500111.4I384 K385I384-E412 HydrophobicContact CD1-CB 4.14Å; I384-E412 HydrophobicContact CG1-CB 3.84Å; I384-E412 WeakPolarHBondContact CG1-O 3.46Å; I384-E412 PolarHBondContact N-O 3.38Å; K385-E412 HydrophobicContact CB-CB 3.85Å; K385-E412 HydrophobicContact CB-CG 4.17Å; K385-E412 HydrophobicContact CD-CG 4.15Å; K385-E412 VanDerWaalsContact CD-OE1 3.26Å; K385-E412 WeakPolarHBondContact CD-OE1 3.21Å; K385-E412 PolarHBondContact N-O 3.04Å; K385-E412 IonicContact NZ-OE1 3.37Å; K385-E412 PolarHBondContact NZ-OE1 2.92Å; K385-E412 PolarHBondContact O-N 3.41Å
413C92.6Very high88.5Confident10 Ų1033.9 Ų33.97%0.06816%0.162CC..EExtended strand (participates in β ladder)trans-111.4151.2176-63.40000110.2R317 C344 T357 V382R317-C413 VanDerWaalsContact CA-SG 3.51Å; C344-C413 WeakPolarHBondContact CA-SG 3.37Å; C344-C413 HydrophobicContact CB-CB 3.85Å; C344-C413 WeakPolarHBondContact CB-SG 3.48Å; C344-C413 VanDerWaalsContact SG-CA 3.53Å; C344-C413 WeakPolarHBondContact SG-CB 2.99Å; C344-C413 CovalentContact SG-SG 2.04Å; C344-C413 PolarHBondContact SG-SG 3.28Å; T357-C413 PolarHBondContact OG1-O 2.84Å; V382-C413 WeakPolarHBondContact O-CA 3.1Å
414G91.6Very high88.8Confident0 Ų035.4 Ų35.40%017%0.17CC..EExtended strand (participates in β ladder)trans-156.9167.6174.300000113.8S356 V382S356-G414 CarbonylContact O-C 3.34Å; S356-G414 WeakPolarHBondContact O-CA 3.45Å; V382-G414 PolarHBondContact N-O 3.05Å; V382-G414 PolarHBondContact O-N 3.26Å
415C91.2Very high89.5Confident0 Ų034.8 Ų34.80%017%0.166CC..EExtended strand (participates in β ladder)trans-89.4122.8176.5-67.50000110.4C348 L352 S356 P358 S359 A362 A379 C380C348-C415 HydrophobicContact CB-CB 3.77Å; C348-C415 WeakPolarHBondContact CB-SG 3.46Å; C348-C415 VanDerWaalsContact SG-CA 3.5Å; C348-C415 WeakPolarHBondContact SG-CB 3.15Å; C348-C415 CovalentContact SG-SG 2.03Å; C348-C415 PolarHBondContact SG-SG 3.16Å; L352-C415 HydrophobicContact CD2-CB 4.45Å; S356-C415 PolarHBondContact O-N 3.19Å; P358-C415 HydrophobicContact CB-CB 4.15Å; S359-C415 PolarHBondContact N-O 3.45Å; A362-C415 HydrophobicContact CB-CB 4.34Å; A362-C415 WeakPolarHBondContact CB-O 3.37Å; A379-C415 HydrophobicContact CB-CB 4.49Å; C380-C415 WeakPolarHBondContact O-CA 3.03Å
416R89.4Confident90Very high83 Ų8337.6 Ų37.631%0.31318%0.18SC..  trans-122.70-179.2-66.5-66.6176.4-93.94.3112.5T357 A379 C380 V382 I384T357-R416 PolarHBondContact O-NH1 3.19Å; A379-R416 WeakPolarHBondContact CB-O 3.43Å; C380-R416 PolarHBondContact N-O 2.9Å; C380-R416 VanDerWaalsContact N-O 3.1Å; C380-R416 PolarHBondContact O-N 2.9Å; C380-R416 VanDerWaalsContact O-N 3.08Å; V382-R416 HydrophobicContact CG2-CB 3.79Å; V382-R416 HydrophobicContact CG2-CG 3.57Å; I384-R416 HydrophobicContact CG2-CG 4.23Å

Retrieved 416 of 416 residues in 499.6 ms (Link to these results)