A0A2K5NPP4_CERAT Loading...

alpha-1,2-Mannosidase

Extracts misfolded glycoproteins, but not glycoproteins undergoing productive folding, from the calnexin cycle. It is directly involved in endoplasmic reticulum-associated degradation (ERAD) and targets misfolded glycoproteins for degradation in an N-glycan-independent manner, probably by forming a complex with SEL1L. It has low mannosidase activity, catalyzing mannose trimming from Man8GlcNAc2 to Man7GlcNAc2.

AlphaFold DB , UniProt , Accession A0A2K5NPP4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene EDEM1, Length 657 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
1M53.3Low69.2Low229 Ų229127.3 Ų127.3100%1.12864%0.641SS**  0-29.60-84179.8-102.700114.6W3M1-W3 PolarHBondContact O-N 3.28Å
2Q59.8Low69.9Low172 Ų172125.7 Ų125.780%0.80464%0.635SS**Hα-helixtrans-65.9-30-170.4-72.9163.3-32.600116.5R4 A5 L6Q2-R4 PolarHBondContact O-N 2.68Å; Q2-A5 PolarHBondContact O-N 2.65Å; Q2-L6 PolarHBondContact O-N 3.23Å
3W51.3Low70.3Confident213 Ų213124.3 Ų124.381%0.80763%0.629SS**Hα-helixtrans-64.4-36.2-177.4-130.181.7000113.7M1 L6 V7M1-W3 PolarHBondContact O-N 3.28Å; W3-L6 PolarHBondContact O-N 3.26Å; W3-V7 HydrophobicContact CE3-CG2 3.6Å; W3-V7 HydrophobicContact CZ3-CG2 3.63Å; W3-V7 WeakPolarHBondContact O-CG2 3.35Å; W3-V7 PolarHBondContact O-N 3.24Å
4R61.6Low69.9Low219 Ų219128.6 Ų128.683%0.82663%0.634SS**Hα-helixtrans-66.8-37.1177.7-73.1-174174.9-177.5-2.6112.3Q2 L8Q2-R4 PolarHBondContact O-N 2.68Å; R4-L8 WeakPolarHBondContact O-CB 3.45Å; R4-L8 PolarHBondContact O-N 3.22Å
5A72.8Confident69.9Low68 Ų68127.3 Ų127.356%0.56263%0.63SS**Hα-helixtrans-67.2-37.2175.800000111.9Q2 L8 G9Q2-A5 PolarHBondContact O-N 2.65Å; A5-L8 PolarHBondContact O-N 3.24Å; A5-G9 PolarHBondContact O-N 2.73Å
6L74.8Confident70.1Confident111 Ų111121.9 Ų121.958%0.58162%0.617SS**Hα-helixtrans-70.5-41.9179.5-148.2157.4000111.6Q2 W3 G9 L10Q2-L6 PolarHBondContact O-N 3.23Å; W3-L6 PolarHBondContact O-N 3.26Å; L6-G9 PolarHBondContact O-N 3.01Å; L6-L10 HydrophobicContact CD2-CD1 3.76Å; L6-L10 HydrophobicContact CD2-CG 4.27Å; L6-L10 WeakPolarHBondContact O-CG 3.24Å; L6-L10 PolarHBondContact O-N 2.97Å
7V76.3Confident69.8Low63 Ų63120.8 Ų120.838%0.38261%0.612SS.*Hα-helixtrans-62.9-44.4171.4173.70000111.5W3 G9 L10 V11W3-V7 HydrophobicContact CE3-CG2 3.6Å; W3-V7 HydrophobicContact CZ3-CG2 3.63Å; W3-V7 WeakPolarHBondContact O-CG2 3.35Å; W3-V7 PolarHBondContact O-N 3.24Å; V7-G9 VanDerWaalsContact C-N 3.34Å; V7-G9 PolarHBondContact O-N 3.23Å; V7-L10 PolarHBondContact O-N 2.62Å; V7-V11 HydrophobicContact CG1-CG2 4.48Å; V7-V11 WeakPolarHBondContact O-CG2 3.44Å; V7-V11 PolarHBondContact O-N 3.11Å
8L78.9Confident68.9Low110 Ų110120.6 Ų120.658%0.57661%0.608SS**Hα-helixtrans-63-41.3177.9-158.878.2000111.6R4 A5 V11 L12R4-L8 WeakPolarHBondContact O-CB 3.45Å; R4-L8 PolarHBondContact O-N 3.22Å; A5-L8 PolarHBondContact O-N 3.24Å; L8-V11 PolarHBondContact O-N 3.18Å; L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.18Å; L8-L12 PolarHBondContact O-N 3.33Å
9G82.1Confident68.2Low39 Ų39116 Ų11640%0.40259%0.594SS.*Hα-helixtrans-61.1-43.6174.600000112.9A5 L6 V7 L12 L13A5-G9 PolarHBondContact O-N 2.73Å; L6-G9 PolarHBondContact O-N 3.01Å; V7-G9 VanDerWaalsContact C-N 3.34Å; V7-G9 PolarHBondContact O-N 3.23Å; G9-L12 PolarHBondContact O-N 2.95Å; G9-L13 VanDerWaalsContact O-CB 3.28Å; G9-L13 WeakPolarHBondContact O-CB 3.25Å; G9-L13 PolarHBondContact O-N 3.37Å
10L74.6Confident67.4Low102 Ų102114.9 Ų114.953%0.53459%0.593SS.*Hα-helixtrans-66.5-37.7176-73.6170.1000112.7L6 V7 R14L6-L10 HydrophobicContact CD2-CD1 3.76Å; L6-L10 HydrophobicContact CD2-CG 4.27Å; L6-L10 WeakPolarHBondContact O-CG 3.24Å; L6-L10 PolarHBondContact O-N 2.97Å; V7-L10 PolarHBondContact O-N 2.62Å; L10-R14 WeakPolarHBondContact O-CB 3.48Å; L10-R14 PolarHBondContact O-N 3.34Å
11V75.4Confident66.4Low74 Ų74113.6 Ų113.645%0.44859%0.587SS.*Hα-helixtrans-66.4-45.6175.2170.10000111.1V7 L8 R14 L15V7-V11 HydrophobicContact CG1-CG2 4.48Å; V7-V11 WeakPolarHBondContact O-CG2 3.44Å; V7-V11 PolarHBondContact O-N 3.11Å; L8-V11 PolarHBondContact O-N 3.18Å; V11-R14 PolarHBondContact O-N 3.37Å; V11-L15 HydrophobicContact CG1-CD1 3.99Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 3.41Å
12L78.3Confident65.8Low108 Ų108110 Ų11057%0.56556%0.561SS**Hα-helixtrans-65.5-38.7177.2-70.3170.8000112.1L8 G9 L15 G16L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.18Å; L8-L12 PolarHBondContact O-N 3.33Å; G9-L12 PolarHBondContact O-N 2.95Å; L12-L15 PolarHBondContact O-N 3.07Å; L12-G16 PolarHBondContact O-N 2.88Å
13L75.3Confident65Low108 Ų108108.6 Ų108.657%0.56556%0.558SS**Hα-helixtrans-61.4-43.2173.1-172.473.4000111.4G9 G16 L17G9-L13 VanDerWaalsContact O-CB 3.28Å; G9-L13 WeakPolarHBondContact O-CB 3.25Å; G9-L13 PolarHBondContact O-N 3.37Å; L13-G16 PolarHBondContact O-N 3.18Å; L13-L17 HydrophobicContact CD1-CD1 4.35Å; L13-L17 HydrophobicContact CG-CD1 4.11Å; L13-L17 PolarHBondContact O-N 3.48Å
14R64Low64.8Low184 Ų184103.2 Ų103.269%0.69455%0.548SS*.Hα-helixtrans-67.4-40.4179.2-157.6179.4-167.4-160.14.1112.1L10 V11 H18L10-R14 WeakPolarHBondContact O-CB 3.48Å; L10-R14 PolarHBondContact O-N 3.34Å; V11-R14 PolarHBondContact O-N 3.37Å; R14-H18 PolarHBondContact O-CD2 2.91Å; R14-H18 VanDerWaalsContact O-CD2 3.24Å; R14-H18 PolarHBondContact O-N 2.94Å
15L70.1Confident64Low110 Ų11099.6 Ų99.658%0.57654%0.538SS*.Hα-helixtrans-66.2-40.2173.6-71.8169.7000111.8V11 L12 H18 G19V11-L15 HydrophobicContact CG1-CD1 3.99Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3.07Å; L15-H18 PolarHBondContact O-N 3.29Å; L15-G19 PolarHBondContact O-N 2.89Å
16G73.3Confident62.2Low40 Ų4099.5 Ų99.541%0.41254%0.544SS..Hα-helixtrans-61.6-47.1174.500000112.8L12 L13 H18 G19 V20L12-G16 PolarHBondContact O-N 2.88Å; L13-G16 PolarHBondContact O-N 3.18Å; G16-H18 PolarHBondContact O-N 3.24Å; G16-G19 PolarHBondContact O-N 2.92Å; G16-V20 WeakPolarHBondContact O-CG2 3.34Å; G16-V20 PolarHBondContact O-N 3.19Å
17L65.1Low60.2Low103 Ų103101.4 Ų101.454%0.53955%0.554SS.*Hα-helixtrans-61.7-40.9174.6-101.5115.2000112.4L13 V20 L21L13-L17 HydrophobicContact CD1-CD1 4.35Å; L13-L17 HydrophobicContact CG-CD1 4.11Å; L13-L17 PolarHBondContact O-N 3.48Å; L17-V20 PolarHBondContact O-N 3.44Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.21Å; L17-L21 PolarHBondContact O-N 2.91Å
18H53.1Low57.9Low118 Ų118100.3 Ų100.355%0.54656%0.556SS.*Hα-helixtrans-64.5-40.4174.6-86.6-66.6000112.4R14 L15 G16 L21 W22R14-H18 PolarHBondContact O-CD2 2.91Å; R14-H18 VanDerWaalsContact O-CD2 3.24Å; R14-H18 PolarHBondContact O-N 2.94Å; L15-H18 PolarHBondContact O-N 3.29Å; G16-H18 PolarHBondContact O-N 3.24Å; H18-L21 PolarHBondContact O-N 3.32Å; H18-W22 VanDerWaalsContact O-CB 3.27Å; H18-W22 WeakPolarHBondContact O-CB 3.29Å; H18-W22 PolarHBondContact O-N 3.49Å
19G55.7Low55.3Low33 Ų33100.9 Ų100.934%0.3457%0.566SS.*Hα-helixtrans-64-40.6176.200000113.5L15 G16 W22 L23L15-G19 PolarHBondContact O-N 2.89Å; G16-G19 PolarHBondContact O-N 2.92Å; G19-W22 PolarHBondContact O-N 3.42Å; G19-L23 PolarHBondContact O-N 2.88Å; G19-L23 VanDerWaalsContact O-N 3.08Å
20V53.3Low52.5Low93 Ų93104.4 Ų104.456%0.56459%0.585SS**Hα-helixtrans-69.4-41.3176.7174.40000111.4G16 L17 W22 L23 V24G16-V20 WeakPolarHBondContact O-CG2 3.34Å; G16-V20 PolarHBondContact O-N 3.19Å; L17-V20 PolarHBondContact O-N 3.44Å; V20-W22 VanDerWaalsContact C-N 3.31Å; V20-W22 PolarHBondContact O-N 2.76Å; V20-L23 PolarHBondContact O-N 3.12Å; V20-V24 HydrophobicContact CG1-CG2 4.38Å; V20-V24 WeakPolarHBondContact O-CB 3.35Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.26Å; V20-V24 PolarHBondContact O-N 3.13Å
21L44.5Very low50.1Low89 Ų89107.8 Ų107.847%0.46660%0.6SS.*Hα-helixtrans-64-36.2173.7-77.1164.7000112.4L17 H18 V24 F25L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.21Å; L17-L21 PolarHBondContact O-N 2.91Å; H18-L21 PolarHBondContact O-N 3.32Å; L21-V24 PolarHBondContact O-N 3.24Å; L21-F25 HydrophobicContact CD2-CD2 3.96Å; L21-F25 HydrophobicContact CD2-CE2 4.1Å; L21-F25 PolarHBondContact O-N 2.94Å
22W42.4Very low47.5Very low154 Ų154106.6 Ų106.658%0.58360%0.602SS**Hα-helixtrans-65.8-42177.4-163.879.2000112.2H18 G19 V20 G26 G28H18-W22 VanDerWaalsContact O-CB 3.27Å; H18-W22 WeakPolarHBondContact O-CB 3.29Å; H18-W22 PolarHBondContact O-N 3.49Å; G19-W22 PolarHBondContact O-N 3.42Å; V20-W22 VanDerWaalsContact C-N 3.31Å; V20-W22 PolarHBondContact O-N 2.76Å; W22-G26 PolarHBondContact O-N 3.19Å; W22-G28 VanDerWaalsContact NE1-CA 3.35Å
23L43.2Very low44.9Very low142 Ų142110.7 Ų110.774%0.74362%0.616SS**Hα-helixtrans-72.5-30177-74.9168.2000114.1G19 V20G19-L23 PolarHBondContact O-N 2.88Å; G19-L23 VanDerWaalsContact O-N 3.08Å; V20-L23 PolarHBondContact O-N 3.12Å
24V47Very low42.4Very low99 Ų99115.9 Ų115.960%0.663%0.63SS**Hα-helixtrans-90.3-27.1-177.1176.50000112.9V20 L21V20-V24 HydrophobicContact CG1-CG2 4.38Å; V20-V24 WeakPolarHBondContact O-CB 3.35Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.26Å; V20-V24 PolarHBondContact O-N 3.13Å; L21-V24 PolarHBondContact O-N 3.24Å
25F43.6Very low40.6Very low143 Ų143114.4 Ų114.463%0.62763%0.631SS**Hα-helixtrans-121.1-2.2-175.6-68.1-76.6000115.9L21 L27L21-F25 HydrophobicContact CD2-CD2 3.96Å; L21-F25 HydrophobicContact CD2-CE2 4.1Å; L21-F25 PolarHBondContact O-N 2.94Å; F25-L27 PolarHBondContact O-N 3.19Å
26G34.4Very low38.4Very low66 Ų66120.1 Ų120.168%0.6865%0.645SS**  trans62.518.4166.200000116.3W22W22-G26 PolarHBondContact O-N 3.19Å
27L34.5Very low36.2Very low151 Ų151126.2 Ų126.279%0.79166%0.66SS**  trans-116.995.8-177.7-71.4170.2000110.3F25F25-L27 PolarHBondContact O-N 3.19Å
28G26.6Very low34.5Very low41 Ų41125.4 Ų125.442%0.42366%0.661SS.*  trans-81.9148.716900000112.1W22 S30W22-G28 VanDerWaalsContact NE1-CA 3.35Å; G28-S30 PolarHBondContact O-N 2.92Å; G28-S30 VanDerWaalsContact O-N 3.09Å
29P24.6Very low33.3Very low121 Ų121125.1 Ų125.179%0.78666%0.663SS**  trans-73.6102.1176.729.8-33.3000110.7M31P29-M31 PolarHBondContact O-N 2.92Å
30S23.6Very low31.8Very low113 Ų113128.6 Ų128.679%0.7968%0.682SS**  trans-69.496.6166.6560000109.9G28 G32G28-S30 PolarHBondContact O-N 2.92Å; G28-S30 VanDerWaalsContact O-N 3.09Å; S30-G32 PolarHBondContact O-N 3.21Å
31M23.6Very low30.7Very low173 Ų173131 Ų13185%0.85269%0.685SS**  trans-73.973165.8-72.5-139-65.700110.3P29P29-M31 PolarHBondContact O-N 2.92Å
32G22Very low29.6Very low49 Ų49130.4 Ų130.451%0.50570%0.7SS.*  trans-97.9110165.800000109.7S30 Y34S30-G32 PolarHBondContact O-N 3.21Å; G32-Y34 WeakPolarHBondContact O-CD2 3.4Å; G32-Y34 PolarHBondContact O-N 3.06Å
33F22.2Very low28.6Very low195 Ų195133.2 Ų133.286%0.85572%0.717SS**  trans-74108.5170.9-88.1-99.1000109.2Q35F33-Q35 PolarHBondContact O-N 2.78Å
34Y24.7Very low27.7Very low217 Ų217135 Ų13585%0.85172%0.722SS**  trans-66.7118.6-179.5-77.4-97.6000111.8G32G32-Y34 WeakPolarHBondContact O-CD2 3.4Å; G32-Y34 PolarHBondContact O-N 3.06Å
35Q24.3Very low26.5Very low152 Ų152142 Ų14271%0.7174%0.737SS**  trans-74.9122.7158.3-72.9-178.4-48.900108.4F33 F37F33-Q35 PolarHBondContact O-N 2.78Å; Q35-F37 PolarHBondContact O-N 3.22Å
36R24.5Very low25.6Very low231 Ų231142.9 Ų142.987%0.87275%0.748SS**  trans-85.8109.4-171.3-72.2-176174.7-166.1-1.7112.2
37F26.8Very low25Very low168 Ų168151.5 Ų151.574%0.73776%0.759SS**  trans-132.3101.8144.3-130.3-82.3000105.3Q35 L39Q35-F37 PolarHBondContact O-N 3.22Å; F37-L39 PolarHBondContact O-N 2.94Å
38P30.5Very low24.4Very low85 Ų85149.4 Ų149.455%0.55276%0.758SS**  trans-91.587.6-169.634.3-32.6000112.4S40 N174P38-S40 PolarHBondContact O-N 2.74Å; P38-N174 PolarHBondContact O-ND2 3.2Å
39L28.2Very low24.5Very low113 Ų113152.8 Ų152.859%0.59277%0.772SS**  trans-8396.3146.3-83.2161.5000107.1F37 F41 N174F37-L39 PolarHBondContact O-N 2.94Å; L39-F41 HydrophobicContact CD2-CE2 3.81Å; L39-F41 HydrophobicContact CD2-CZ 3.83Å; L39-N174 HydrophobicContact CD2-CB 4.05Å; L39-N174 WeakPolarHBondContact CD2-OD1 3.26Å
40S22.6Very low24.6Very low105 Ų105154.7 Ų154.773%0.73478%0.775SS**  trans-134.792.6-179.6172.50000110.1P38P38-S40 PolarHBondContact O-N 2.74Å
41F30.5Very low24.6Very low145 Ų145152.8 Ų152.864%0.63677%0.774SS**  trans-82.3139.3179.7-65.1-71.2000112.9L39L39-F41 HydrophobicContact CD2-CE2 3.81Å; L39-F41 HydrophobicContact CD2-CZ 3.83Å
42G22.8Very low25.2Very low76 Ų76150.9 Ų150.978%0.78478%0.775SS**  trans-79.3130.7-178.800000113.4Q44G42-Q44 PolarHBondContact O-N 3.49Å
43F21.4Very low25.4Very low213 Ų213153.2 Ų153.293%0.93479%0.789SS**  trans-72.9106.7170.9-79.9-89.9000111.6
44Q24.1Very low25.5Very low180 Ų180149.5 Ų149.584%0.84179%0.787SS**  trans-94.8108.5157.4-76.6-168.6-8.900110.5G42 L46G42-Q44 PolarHBondContact O-N 3.49Å; Q44-L46 PolarHBondContact O-N 3Å
45R21.3Very low26.5Very low244 Ų244145.2 Ų145.292%0.92179%0.786SS**  trans-68.5121.5165.9-81.4179.3170.5171.4-3.1109.5
46L24.6Very low26.6Very low163 Ų163142.4 Ų142.485%0.85379%0.789SS**  trans-112144.4160.6-78.1168.8000110.7Q44Q44-L46 PolarHBondContact O-N 3Å
47R22.6Very low26.8Very low246 Ų246137.3 Ų137.393%0.92879%0.789SS**  trans-78.7147.3-174.4-72.7172.4165.4160.8-6.7111.5
48S21.3Very low26.8Very low108 Ų108132.7 Ų132.776%0.75579%0.789SS**  trans-61.6161.5158.4-460000111.3
49P28.2Very low27.1Very low111 Ų111134.7 Ų134.772%0.72180%0.802SS**  -140.6144.697.836.1-22.3000116.1
50D26.1Very low27.3Very low161 Ų161136.7 Ų136.786%0.86182%0.818SS**  trans40.3129.8135.4-48.1-27.5000122.6
51G24.2Very low27.5Very low74 Ų74135.1 Ų135.176%0.76382%0.818SS**  trans134.7131.7133.100000116.3
52P36.4Very low27.4Very low133 Ų133140 Ų14086%0.86483%0.832SS**  trans-121.8160.9-156.940.9-27.8000116.5
53A25.9Very low28.1Very low98 Ų98142.5 Ų142.581%0.8184%0.835SS**  trans-161148.4148.500000112.9
54S24.3Very low28.4Very low117 Ų117136.2 Ų136.282%0.81883%0.83SS**  trans-148.9-169.7166.1-42.80000106.4
55P46.1Very low28.4Very low126 Ų126131.1 Ų131.182%0.81883%0.826SS**  cis-126.4-175.6-38.334.3-17.3000111.4
56A26.9Very low28.6Very low94 Ų94127.9 Ų127.978%0.77783%0.826SS**  trans-170.5143.8145.300000115.8
57S28.6Very low28.7Very low124 Ų124125.3 Ų125.387%0.86782%0.821SS**  trans-24.5164.6159.153.40000120.2
58G25.9Very low28.9Very low71 Ų71116.8 Ų116.873%0.73281%0.811SS**  cis167178.5900000111.7
59P37.7Very low29.4Very low127 Ų127118.3 Ų118.383%0.82582%0.818SS**  trans-110.5155.9-157.939.5-34.3000118
60V31.3Very low29.3Very low155 Ų155118 Ų11894%0.93982%0.818SS**  trans-153.4150.4166.5-175.10000106.8
61G27.2Very low29.3Very low71 Ų71120.9 Ų120.973%0.73282%0.817SS**  cis170.7166.3-7.200000110.8
62R28.3Very low29.4Very low247 Ų247125 Ų12593%0.93282%0.821SS**  trans-122.9161.5168.5-74.2-175.7170.2-179.4-2.9110.1
63P38.7Very low29Very low129 Ų129127.1 Ų127.184%0.83882%0.819SS**  -151.2158.498.637.3-19.9000117.4
64G26.2Very low29.4Very low82 Ų82128 Ų12885%0.84582%0.817SS**  trans69143.914400000119.8
65G23.9Very low30.1Very low72 Ų72128.4 Ų128.474%0.74282%0.817SS**  cis124.1119.5-0.400000112
66L26.5Very low29.1Very low177 Ų177125.9 Ų125.993%0.92781%0.813SS**  trans-174.5159.1160.8-104.4160.6000114
67S27.8Very low29.2Very low108 Ų108128.7 Ų128.776%0.75582%0.821SS**  trans-75.7162.8-16746.90000118.7
68G24.9Very low29Very low68 Ų68126.5 Ų126.570%0.70182%0.818SS**  trans-86.2-164.1170.900000115.4
69P32.8Very low29.1Very low139 Ų139128 Ų12890%0.90382%0.824SS**  -147.1-171.6116.839.4-22.5000116.4
70S26.1Very low28.6Very low104 Ų104129.1 Ų129.173%0.72783%0.828SS**  trans-94.3-159.2-164.1-168.10000115.9
71W25.7Very low28.3Very low222 Ų222131 Ų13184%0.84183%0.826SS**  trans92.6133174.9-50.7111.8000114.8
72L27.1Very low28.4Very low161 Ų161132.9 Ų132.984%0.84383%0.829SS**  cis-148.6165.213.8-92.5123.7000113.8
73Q27.2Very low28.5Very low178 Ų178127.3 Ų127.383%0.83283%0.825SS**  trans-114.4159159.4-100.8-167.65.600108.7
74P34.8Very low27.9Very low117 Ų117132.3 Ų132.376%0.7683%0.827SS**  -158-15479.538.6-13.4000114.3
75P38Very low28Very low125 Ų125138.5 Ų138.581%0.81283%0.83SS**  -119.6-174.1-70.136.8-20.5000112.5
76G26.1Very low28.2Very low72 Ų72141.1 Ų141.174%0.74283%0.832SS**  trans-131.5173.5179.100000116.2
77T27.7Very low28.5Very low153 Ų153138.1 Ų138.194%0.93982%0.823SS**  trans-161.4151.9169.8490000107.1
78G26.2Very low28.4Very low79 Ų79144.9 Ų144.981%0.81483%0.832SS**  cis-175.3168-000000108.4
79A26.7Very low28.5Very low103 Ų103153.3 Ų153.385%0.85184%0.842SS**  trans-103150.4-170.200000114.5
80T27.3Very low28.5Very low149 Ų149152.3 Ų152.391%0.91484%0.836SS**  trans-145.8149.3162.523.40000111.8
81Q25.8Very low28.6Very low194 Ų194156.3 Ų156.391%0.90784%0.843SS**  trans-101.3169.8-166-65.6177.6-4.600114.4
82S29.4Very low28.8Very low111 Ų111152 Ų15278%0.77684%0.844SS**  trans-69177.1-176.6-33.50000115.3
83P30.5Very low29.3Very low131 Ų131148 Ų14885%0.85184%0.841SS**  -139.3160.711736.7-25000115.9
84R25.2Very low29.4Very low234 Ų234146.3 Ų146.388%0.88384%0.843SS**  trans-92.1154.8179.2-68.6172.7167.9171.2-5.4113
85K27.8Very low29.1Very low211 Ų211147.4 Ų147.492%0.91785%0.852SS**  trans-139.7159.2150.1-90.1-173177.4176.40111
86V28.5Very low28.6Very low128 Ų128144.1 Ų144.178%0.77684%0.84SS**  trans-134.3-179.2-165.3-149.20000109.3
87P32.3Very low28.8Very low113 Ų113146.4 Ų146.473%0.73484%0.842SS**  -107.6171.1-94.739.3-26.2000115.4
88R25.6Very low28.8Very low251 Ų251142.7 Ų142.795%0.94783%0.827SS**  trans-140.1149.7154.2-71.9-170.3175.1-178.6-2.3110.6
89R28.4Very low28.8Very low244 Ų244147.8 Ų147.892%0.92183%0.83SS**  trans-116.5176172-59.7-178.7163.3-175.9-3.7109.1
90P32.6Very low28.9Very low118 Ų118153.9 Ų153.977%0.76683%0.831SS**  -125.8164.1-86.334.5-16000113.2
91E27.3Very low28.8Very low189 Ų189149.9 Ų149.988%0.88382%0.819SS**  trans-120.3148.6160.1-75.1-171160.900109.8
92P31.4Very low29Very low131 Ų131150.7 Ų150.785%0.85182%0.815SS**  trans-89.8147.9-171.234.7-34.4000113.4
93G36.5Very low29Very low77 Ų77152 Ų15279%0.79482%0.819SS**  trans106.953.4151.200000118.5
94V28.5Very low29.4Very low142 Ų142153.7 Ų153.786%0.86182%0.819SS**  trans-135.6123.4154.6-175.80000109.4G96V94-G96 PolarHBondContact O-N 2.93Å; V94-G96 VanDerWaalsContact O-N 3.07Å
95C30.4Very low29.6Very low140 Ų140146.1 Ų146.195%0.94681%0.814SS**  trans-74.993.5173.8-67.70000110.2
96G27.6Very low29.8Very low56 Ų56139.4 Ų139.458%0.57780%0.804SS**  trans-75165.7165.700000112.3V94 A98V94-G96 PolarHBondContact O-N 2.93Å; V94-G96 VanDerWaalsContact O-N 3.07Å; G96-A98 PolarHBondContact O-N 2.03Å
97P29.1Very low30.4Very low120 Ų120144.5 Ų144.578%0.77981%0.81SS**  trans-62.5132.9179.126.9-34.3000110.8H99P97-H99 PolarHBondContact O-N 3.49Å
98A28.3Very low30.8Very low76 Ų76146.6 Ų146.663%0.62882%0.815SS**  trans-65.8107.9172.900000109.4G96 W100G96-A98 PolarHBondContact O-N 2.03Å; A98-W100 PolarHBondContact O-N 2.77Å
99H25.3Very low32.1Very low186 Ų186145.7 Ų145.786%0.86181%0.811SS**  trans-65.3100.5166.5-98.5-77.3000108.7P97 G101P97-H99 PolarHBondContact O-N 3.49Å; H99-G101 VanDerWaalsContact C-N 3.31Å; H99-G101 PolarHBondContact O-N 2.89Å
100W28.7Very low33.4Very low230 Ų230136.8 Ų136.887%0.87180%0.796SS**  trans-65.592.7166.9-66.9102.5000109.1A98 Y102A98-W100 PolarHBondContact O-N 2.77Å; W100-Y102 PolarHBondContact O-N 2.92Å
101G24.8Very low34.8Very low65 Ų65134.5 Ų134.567%0.6778%0.78SS**  trans-68.1109.4174.600000110.1H99 V103H99-G101 VanDerWaalsContact C-N 3.31Å; H99-G101 PolarHBondContact O-N 2.89Å; G101-V103 PolarHBondContact O-N 3.45Å
102Y31.6Very low37.3Very low212 Ų212127.1 Ų127.183%0.83175%0.747SS**  trans-56107.2166-80.6-97.7000109.4W100 L104W100-Y102 PolarHBondContact O-N 2.92Å; Y102-L104 VanDerWaalsContact C-N 3.32Å; Y102-L104 PolarHBondContact O-N 2.83Å
103V29.1Very low39.8Very low139 Ų139128 Ų12884%0.84274%0.74SS**  trans-7294.9164.5178.20000106.9G101 G105G101-V103 PolarHBondContact O-N 3.45Å; V103-G105 PolarHBondContact O-N 2.85Å
104L37.7Very low42Very low166 Ų166125.9 Ų125.987%0.86971%0.708SS**  trans-68.376.1171.7-75.1168.1000110Y102Y102-L104 VanDerWaalsContact C-N 3.32Å; Y102-L104 PolarHBondContact O-N 2.83Å
105G30.8Very low44.7Very low75 Ų75122.7 Ų122.777%0.77368%0.684SS**  trans-108.645.2179.300000113.1V103V103-G105 PolarHBondContact O-N 2.85Å
106G32.6Very low47.2Very low69 Ų69123.2 Ų123.271%0.71167%0.67SS**  trans-179.6101.5179.100000112.6
107R39.1Very low49.8Very low236 Ų236125.6 Ų125.689%0.89166%0.662SS**  trans-77.6146.4172.4-86.1178.1166.8164.4-6.3111.2
108D42.4Very low52.5Low156 Ų156120.5 Ų120.583%0.83463%0.627SS**  trans50.968.9159.2-62.6-36.5000117.9
109R51.4Low54.5Low233 Ų233119.3 Ų119.388%0.87961%0.614SS**  trans-131.9127.4139.2-59.4-174.5-157.6-169.39.1107.9
110G56.1Low56.7Low57 Ų57112.4 Ų112.459%0.58859%0.593SS**  trans-64.2172.2167.800000110.9D112G110-D112 PolarHBondContact O-N 2.96Å
111P62.3Low59.2Low69 Ų69105 Ų10545%0.44858%0.58SS.*SBendtrans-51.8136.4-173.820-32.3000110.9E115 K116P111-E115 WeakPolarHBondContact CA-OE2 3.4Å; P111-E115 HydrophobicContact CB-CB 3.91Å; P111-E115 WeakPolarHBondContact CB-OE2 3.41Å; P111-K116 HydrophobicContact CB-CG 4.27Å; P111-K116 HydrophobicContact CG-CG 4.17Å; P111-K116 WeakPolarHBondContact O-CD 3.47Å; P111-K116 WeakPolarHBondContact O-CE 3.22Å; P111-K116 PolarHBondContact O-NZ 3.12Å
112D80.4Confident62.3Low35 Ų35102.7 Ų102.719%0.18755%0.552CS.*  trans-76.6178.4-174.980.815.2000112.2G110 Y114 E115 K116 S644 R648G110-D112 PolarHBondContact O-N 2.96Å; D112-Y114 VanDerWaalsContact C-N 3.28Å; D112-Y114 PolarHBondContact O-N 3.34Å; D112-Y114 PolarHBondContact OD1-N 3.5Å; D112-E115 PolarHBondContact N-OE2 3.46Å; D112-E115 VanDerWaalsContact N-OE2 3.17Å; D112-E115 PolarHBondContact O-N 2.82Å; D112-E115 PolarHBondContact OD1-N 2.95Å; D112-K116 WeakPolarHBondContact O-CB 3.38Å; D112-K116 WeakPolarHBondContact O-CG 3.36Å; D112-K116 PolarHBondContact O-N 2.89Å; D112-S644 VanDerWaalsContact CG-OG 3.31Å; D112-S644 WeakPolarHBondContact OD1-CB 3.42Å; D112-S644 PolarHBondContact OD1-OG 3.32Å; D112-S644 WeakPolarHBondContact OD2-CB 3.3Å; D112-S644 PolarHBondContact OD2-OG 3.26Å; D112-S644 VanDerWaalsContact OD2-OG 3.05Å; D112-R648 IonicContact OD2-CZ 3Å; D112-R648 IonicContact OD2-NH2 3.11Å; D112-R648 PolarHBondContact OD2-NH2 3.26Å
113E82.6Confident65.3Low148 Ų14895.4 Ų95.469%0.69253%0.531SS*.Hα-helixtrans-61.7-37-171.1-170.5174.3162.500112.6R117E113-R117 VanDerWaalsContact O-CB 3.22Å; E113-R117 WeakPolarHBondContact O-CB 3.32Å; E113-R117 PolarHBondContact O-N 2.9Å
114Y84.1Confident68.4Low33 Ų3393.4 Ų93.413%0.12952%0.521CS..Hα-helixtrans-68.7-45.3178-56.7-91.8000110.6D112 R117 Y118 M647 R648 D651D112-Y114 VanDerWaalsContact C-N 3.28Å; D112-Y114 PolarHBondContact O-N 3.34Å; D112-Y114 PolarHBondContact OD1-N 3.5Å; Y114-R117 PolarHBondContact O-N 2.66Å; Y114-Y118 HydrophobicContact CD1-CD2 4.49Å; Y114-Y118 HydrophobicContact CD1-CE2 4.15Å; Y114-Y118 WeakPolarHBondContact O-CB 3.23Å; Y114-Y118 WeakPolarHBondContact O-CD2 3.32Å; Y114-Y118 PolarHBondContact O-N 3.37Å; Y114-M647 HydrophobicContact CD1-CB 3.94Å; Y114-M647 HydrophobicContact CD1-CG 4.36Å; Y114-M647 HydrophobicContact CD1-SD 3.49Å; Y114-M647 WeakPolarHBondContact CD1-SD 3.41Å; Y114-M647 HydrophobicContact CE1-CB 3.78Å; Y114-M647 HydrophobicContact CE1-SD 4.24Å; Y114-M647 HydrophobicContact CG-CB 4.4Å; Y114-M647 HydrophobicContact CG-SD 3.85Å; Y114-R648 HydrophobicContact CE2-CG 3.51Å; Y114-R648 WeakPolarHBondContact OH-CG 3.41Å; Y114-D651 WeakPolarHBondContact CE1-OD2 3.24Å; Y114-D651 PolarHBondContact OH-OD2 3.48Å
115E83.9Confident71.2Confident76 Ų7692 Ų9236%0.35551%0.509SS..Hα-helixtrans-59.6-51.7175.8-66.6179.5153.800110.8P111 D112 R117 Y118 S119 L640P111-E115 WeakPolarHBondContact CA-OE2 3.4Å; P111-E115 HydrophobicContact CB-CB 3.91Å; P111-E115 WeakPolarHBondContact CB-OE2 3.41Å; D112-E115 PolarHBondContact N-OE2 3.46Å; D112-E115 VanDerWaalsContact N-OE2 3.17Å; D112-E115 PolarHBondContact O-N 2.82Å; D112-E115 PolarHBondContact OD1-N 2.95Å; E115-R117 PolarHBondContact O-N 2.7Å; E115-R117 VanDerWaalsContact O-N 3.13Å; E115-Y118 PolarHBondContact O-N 3.44Å; E115-S119 WeakPolarHBondContact O-CB 3.46Å; E115-S119 PolarHBondContact O-N 3.12Å; E115-S119 PolarHBondContact O-OG 3.15Å; E115-L640 HydrophobicContact CG-CD1 3.77Å; E115-L640 HydrophobicContact CG-CG 4.29Å
116K83.3Confident74.3Confident151 Ų15190.5 Ų90.566%0.65748%0.484SS*.Hα-helixtrans-55.5-33.5176.8-76.3171.7174.4131.70113.7P111 D112P111-K116 HydrophobicContact CB-CG 4.27Å; P111-K116 HydrophobicContact CG-CG 4.17Å; P111-K116 WeakPolarHBondContact O-CD 3.47Å; P111-K116 WeakPolarHBondContact O-CE 3.22Å; P111-K116 PolarHBondContact O-NZ 3.12Å; D112-K116 WeakPolarHBondContact O-CB 3.38Å; D112-K116 WeakPolarHBondContact O-CG 3.36Å; D112-K116 PolarHBondContact O-N 2.89Å
117R82.4Confident77.4Confident105 Ų10588 Ų8840%0.39645%0.453SS..Hα-helixtrans-87.1-33.6-177.6-174.4175.3174.6137.15.9113.6E113 Y114 E115 D516E113-R117 VanDerWaalsContact O-CB 3.22Å; E113-R117 WeakPolarHBondContact O-CB 3.32Å; E113-R117 PolarHBondContact O-N 2.9Å; Y114-R117 PolarHBondContact O-N 2.66Å; E115-R117 PolarHBondContact O-N 2.7Å; E115-R117 VanDerWaalsContact O-N 3.13Å; R117-D516 IonicContact CZ-OD2 2.76Å; R117-D516 IonicContact NH2-OD1 3.9Å; R117-D516 PolarHBondContact NH2-OD1 3.49Å; R117-D516 IonicContact NH2-OD2 2.83Å; R117-D516 PolarHBondContact NH2-OD2 2.88Å
118Y84.7Confident80.2Confident14 Ų1478.4 Ų78.46%0.05542%0.424CS..Hα-helixtrans-131.4-15-164.6-53.6-65.1000116.1Y114 E115 G120 Y463 F509 H512 L640Y114-Y118 HydrophobicContact CD1-CD2 4.49Å; Y114-Y118 HydrophobicContact CD1-CE2 4.15Å; Y114-Y118 WeakPolarHBondContact O-CB 3.23Å; Y114-Y118 WeakPolarHBondContact O-CD2 3.32Å; Y114-Y118 PolarHBondContact O-N 3.37Å; E115-Y118 PolarHBondContact O-N 3.44Å; Y118-G120 PolarHBondContact O-N 3.47Å; Y118-Y463 PolarHBondContact OH-OH 3.37Å; Y118-F509 AromaticContact CD1-CD2 3.99Å; Y118-F509 HydrophobicContact CD1-CD2 3.99Å; Y118-F509 HydrophobicContact CD1-CE2 4.38Å; Y118-F509 HydrophobicContact CD2-CD2 4.1Å; Y118-F509 HydrophobicContact CD2-CE2 4.12Å; Y118-F509 HydrophobicContact CE1-CD2 4.47Å; Y118-F509 HydrophobicContact CE1-CE2 4.45Å; Y118-F509 HydrophobicContact CE2-CE2 4.21Å; Y118-F509 AromaticContact CG-CD2 3.78Å; Y118-F509 HydrophobicContact CG-CD2 3.78Å; Y118-F509 HydrophobicContact CG-CE2 4.21Å; Y118-H512 HydrophobicContact CD1-CB 3.68Å; Y118-H512 AromaticContact CD1-CG 3.95Å; Y118-H512 HydrophobicContact CE1-CB 3.83Å; Y118-L640 HydrophobicContact CD2-CD2 4.33Å
119S70.7Confident82.8Confident51 Ų5176.5 Ų76.536%0.35741%0.41SS..SBendtrans-86.28176.280.40000113.2E115E115-S119 WeakPolarHBondContact O-CB 3.46Å; E115-S119 PolarHBondContact O-N 3.12Å; E115-S119 PolarHBondContact O-OG 3.15Å
120G71.9Confident85.1Confident40 Ų4066.1 Ų66.141%0.41237%0.372SS..SBendtrans-85.5158.9170.100000112Y118Y118-G120 PolarHBondContact O-N 3.47Å
121A80.4Confident87.1Confident74 Ų7466.5 Ų66.561%0.61236%0.355SS*.PPolyproline II helixtrans-70.3135.516900000110.4P123A121-P123 WeakPolarHBondContact O-CD 3.15Å
122F90.7Very high88.8Confident17 Ų1766.5 Ų66.58%0.07535%0.351CS..PPolyproline II helixtrans-72.3118.1172.8-158.8-84.7000109.3L126 R127 M130 P508 L511 H512 M515 F562F122-L126 HydrophobicContact CD1-CB 4.39Å; F122-L126 HydrophobicContact CD1-CD2 4.37Å; F122-L126 HydrophobicContact CD1-CG 4.42Å; F122-L126 HydrophobicContact CE1-CB 3.93Å; F122-L126 HydrophobicContact CE1-CD2 3.81Å; F122-L126 HydrophobicContact CE1-CG 3.61Å; F122-L126 HydrophobicContact CE2-CD2 4.02Å; F122-L126 HydrophobicContact CZ-CD2 3.62Å; F122-L126 HydrophobicContact CZ-CG 3.71Å; F122-R127 HydrophobicContact CD1-CB 3.97Å; F122-R127 HydrophobicContact CE1-CB 4.07Å; F122-M130 HydrophobicContact CZ-CG 4.2Å; F122-P508 HydrophobicContact CB-CB 4.23Å; F122-L511 HydrophobicContact CB-CB 4.17Å; F122-L511 HydrophobicContact CB-CD1 3.63Å; F122-L511 HydrophobicContact CD1-CB 4.16Å; F122-L511 HydrophobicContact CD1-CD1 4.13Å; F122-L511 HydrophobicContact CD2-CB 3.44Å; F122-L511 VanDerWaalsContact CD2-CB 3.44Å; F122-L511 HydrophobicContact CD2-CD1 4.46Å; F122-L511 HydrophobicContact CE1-CB 4.4Å; F122-L511 VanDerWaalsContact CE2-C 3.48Å; F122-L511 HydrophobicContact CE2-CB 3.74Å; F122-L511 WeakPolarHBondContact CE2-O 3.05Å; F122-L511 HydrophobicContact CG-CB 3.67Å; F122-L511 HydrophobicContact CG-CD1 3.84Å; F122-L511 HydrophobicContact CG-CG 4.41Å; F122-L511 HydrophobicContact CZ-CB 4.21Å; F122-H512 AromaticContact CD2-CD2 3.79Å; F122-H512 AromaticContact CD2-CE1 3.58Å; F122-H512 AromaticContact CD2-CG 3.87Å; F122-H512 AromaticContact CD2-ND1 3.74Å; F122-H512 AromaticContact CD2-NE2 3.6Å; F122-H512 AromaticContact CE2-CE1 3.94Å; F122-H512 AromaticContact CE2-CG 3.98Å; F122-H512 AromaticContact CE2-ND1 3.7Å; F122-M515 HydrophobicContact CE2-CB 4.4Å; F122-M515 HydrophobicContact CE2-SD 4.29Å; F122-M515 HydrophobicContact CZ-CB 4.32Å; F122-M515 HydrophobicContact CZ-SD 4.17Å; F122-F562 HydrophobicContact CE1-CE1 4.47Å; F122-F562 HydrophobicContact CZ-CE1 4.21Å
123P93.8Very high89.7Confident60 Ų6067.4 Ų67.439%0.3936%0.356SS..PPolyproline II helixtrans-63.3136.5-172.7-25.235.4000112.6A121 Q125 L126 R127A121-P123 WeakPolarHBondContact O-CD 3.15Å; P123-Q125 PolarHBondContact O-N 2.93Å; P123-L126 HydrophobicContact CB-CB 4.13Å; P123-L126 HydrophobicContact CG-CB 4.44Å; P123-L126 WeakPolarHBondContact O-CB 3.03Å; P123-L126 PolarHBondContact O-N 2.91Å; P123-R127 PolarHBondContact O-N 3.2Å
124P94.6Very high90.5Very high96 Ų9660.4 Ų60.462%0.62332%0.323SS*.Hα-helixtrans-56.6-34.9179.5-2835.8000113.9R127 A128P124-R127 WeakPolarHBondContact O-CB 3.4Å; P124-R127 PolarHBondContact O-N 2.89Å; P124-A128 PolarHBondContact O-N 2.84Å
125Q96.3Very high91.2Very high136 Ų13662.4 Ų62.464%0.63633%0.331SS*.Hα-helixtrans-66.8-40.7176.2-63.476.711.600111.7P123 R127 A128 Q129P123-Q125 PolarHBondContact O-N 2.93Å; Q125-R127 VanDerWaalsContact C-N 3.33Å; Q125-A128 PolarHBondContact O-N 3.34Å; Q125-Q129 VanDerWaalsContact O-CG 3.29Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 3.41Å
126L96.4Very high91.9Very high44 Ų4460.4 Ų60.423%0.2333%0.331CS..Hα-helixtrans-67-37.9174.4-175.963.5000110.6F122 P123 Q129 M130 M515F122-L126 HydrophobicContact CD1-CB 4.39Å; F122-L126 HydrophobicContact CD1-CD2 4.37Å; F122-L126 HydrophobicContact CD1-CG 4.42Å; F122-L126 HydrophobicContact CE1-CB 3.93Å; F122-L126 HydrophobicContact CE1-CD2 3.81Å; F122-L126 HydrophobicContact CE1-CG 3.61Å; F122-L126 HydrophobicContact CE2-CD2 4.02Å; F122-L126 HydrophobicContact CZ-CD2 3.62Å; F122-L126 HydrophobicContact CZ-CG 3.71Å; P123-L126 HydrophobicContact CB-CB 4.13Å; P123-L126 HydrophobicContact CG-CB 4.44Å; P123-L126 WeakPolarHBondContact O-CB 3.03Å; P123-L126 PolarHBondContact O-N 2.91Å; L126-Q129 WeakPolarHBondContact O-CB 3.06Å; L126-Q129 PolarHBondContact O-N 3.18Å; L126-M130 HydrophobicContact CD1-CE 4.22Å; L126-M130 WeakPolarHBondContact O-CG 3.47Å; L126-M130 PolarHBondContact O-N 3.47Å; L126-M515 HydrophobicContact CD1-SD 4.35Å; L126-M515 HydrophobicContact CD2-SD 3.99Å; L126-M515 HydrophobicContact CG-SD 4.44Å
127R97.3Very high92.6Very high18 Ų1853.3 Ų53.37%0.06830%0.3CS..Hα-helixtrans-61.1-46.8175.4-170.9177-179.4162.812.9111.7F122 P123 P124 Q125 Q129 M130 R131 Y502 L561 F562 E564F122-R127 HydrophobicContact CD1-CB 3.97Å; F122-R127 HydrophobicContact CE1-CB 4.07Å; P123-R127 PolarHBondContact O-N 3.2Å; P124-R127 WeakPolarHBondContact O-CB 3.4Å; P124-R127 PolarHBondContact O-N 2.89Å; Q125-R127 VanDerWaalsContact C-N 3.33Å; R127-Q129 VanDerWaalsContact C-N 3.35Å; R127-Q129 PolarHBondContact O-N 3.04Å; R127-M130 PolarHBondContact O-N 3.47Å; R127-R131 PolarHBondContact O-N 2.91Å; R127-Y502 PolarHBondContact NH1-OH 2.96Å; R127-Y502 PolarHBondContact NH2-OH 3.42Å; R127-L561 PolarHBondContact NH2-O 3.35Å; R127-F562 HydrophobicContact CG-CB 4.27Å; R127-F562 HydrophobicContact CG-CD1 4.25Å; R127-F562 WeakPolarHBondContact CG-O 3.14Å; R127-F562 PolarHBondContact NE-O 2.94Å; R127-E564 IonicContact CZ-OE2 3.36Å; R127-E564 IonicContact NH1-OE1 2.95Å; R127-E564 IonicContact NH1-OE2 2.98Å; R127-E564 PolarHBondContact NH1-OE2 3.35Å
128A97.9Very high93.4Very high34 Ų3448.5 Ų48.528%0.28128%0.282SS..Hα-helixtrans-60.3-43.7174.900000111.8P124 Q125 M130 R131 D132P124-A128 PolarHBondContact O-N 2.84Å; Q125-A128 PolarHBondContact O-N 3.34Å; A128-M130 PolarHBondContact O-N 2.94Å; A128-R131 PolarHBondContact O-N 2.93Å; A128-D132 WeakPolarHBondContact O-CB 3.44Å; A128-D132 PolarHBondContact O-N 3.34Å
129Q98.3Very high94.1Very high116 Ų11650.5 Ų50.554%0.54230%0.295SS..Hα-helixtrans-58.9-43.8175.1-73.3169.3-100112.7Q125 L126 R127 D132 L133Q125-Q129 VanDerWaalsContact O-CG 3.29Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 3.41Å; L126-Q129 WeakPolarHBondContact O-CB 3.06Å; L126-Q129 PolarHBondContact O-N 3.18Å; R127-Q129 VanDerWaalsContact C-N 3.35Å; R127-Q129 PolarHBondContact O-N 3.04Å; Q129-D132 PolarHBondContact O-N 3.28Å; Q129-L133 VanDerWaalsContact O-CB 3.29Å; Q129-L133 WeakPolarHBondContact O-CB 2.96Å; Q129-L133 PolarHBondContact O-N 3.19Å
130M98.6Very high95.4Very high15 Ų1550.9 Ų50.97%0.07429%0.291CS..Hα-helixtrans-71-37179-63.1-54.991.200112.3F122 L126 R127 A128 L133 A134 M515 L518 F562F122-M130 HydrophobicContact CZ-CG 4.2Å; L126-M130 HydrophobicContact CD1-CE 4.22Å; L126-M130 WeakPolarHBondContact O-CG 3.47Å; L126-M130 PolarHBondContact O-N 3.47Å; R127-M130 PolarHBondContact O-N 3.47Å; A128-M130 PolarHBondContact O-N 2.94Å; M130-L133 HydrophobicContact CE-CD2 4.27Å; M130-L133 PolarHBondContact O-N 3.26Å; M130-A134 WeakPolarHBondContact O-CB 3.34Å; M130-A134 PolarHBondContact O-N 2.74Å; M130-M515 HydrophobicContact CG-CB 4.35Å; M130-M515 HydrophobicContact CG-CG 4.26Å; M130-M515 HydrophobicContact SD-CB 4.25Å; M130-M515 HydrophobicContact SD-CG 3.68Å; M130-M515 HydrophobicContact SD-SD 4.34Å; M130-L518 HydrophobicContact CB-CD2 4.11Å; M130-L518 WeakPolarHBondContact O-CD2 3.49Å; M130-L518 HydrophobicContact SD-CD2 4Å; M130-F562 HydrophobicContact CB-CD1 3.72Å; M130-F562 HydrophobicContact CB-CD2 3.62Å; M130-F562 HydrophobicContact CB-CE1 3.7Å; M130-F562 HydrophobicContact CB-CE2 3.64Å; M130-F562 HydrophobicContact CB-CG 3.69Å; M130-F562 HydrophobicContact CB-CZ 3.67Å; M130-F562 HydrophobicContact CG-CE1 4.16Å; M130-F562 HydrophobicContact CG-CZ 4.16Å
131R98.5Very high96.7Very high65 Ų6549 Ų4925%0.24527%0.271CS..Hα-helixtrans-58.9-48.3170.8-175.8-161.362.6-160.8-9.4111.4R127 A128 L133 A134 R135 Y559 F562 D563R127-R131 PolarHBondContact O-N 2.91Å; A128-R131 PolarHBondContact O-N 2.93Å; R131-L133 VanDerWaalsContact C-N 3.33Å; R131-A134 PolarHBondContact O-N 3.27Å; R131-R135 PolarHBondContact O-N 3.36Å; R131-Y559 HydrophobicContact CG-CD2 3.93Å; R131-Y559 HydrophobicContact CG-CE2 3.56Å; R131-F562 HydrophobicContact CB-CB 3.6Å; R131-F562 HydrophobicContact CG-CB 4.39Å; R131-D563 VanDerWaalsContact CD-OD1 3.28Å; R131-D563 WeakPolarHBondContact CD-OD1 3.4Å; R131-D563 HydrophobicContact CG-CB 4.04Å; R131-D563 IonicContact NH1-OD1 3.7Å
132D98.5Very high97.6Very high68 Ų6845.6 Ų45.636%0.36424%0.242SC..Hα-helixtrans-72.7-29.9-175.3-63.3-22.6000111.3A128 Q129 R135 G136A128-D132 WeakPolarHBondContact O-CB 3.44Å; A128-D132 PolarHBondContact O-N 3.34Å; Q129-D132 PolarHBondContact O-N 3.28Å; D132-R135 IonicContact OD1-CZ 3.9Å; D132-R135 IonicContact OD1-NH1 2.81Å; D132-R135 PolarHBondContact OD1-NH1 2.93Å; D132-R135 IonicContact OD1-NH2 2.73Å; D132-G136 PolarHBondContact O-N 3.18Å
133L98.6Very high97.9Very high55 Ų5549 Ų4929%0.28826%0.262SS..Hα-helixtrans-68.3-42.1168.5-179.260.1000112.4Q129 M130 R131 G136 M137 L518 E522Q129-L133 VanDerWaalsContact O-CB 3.29Å; Q129-L133 WeakPolarHBondContact O-CB 2.96Å; Q129-L133 PolarHBondContact O-N 3.19Å; M130-L133 HydrophobicContact CE-CD2 4.27Å; M130-L133 PolarHBondContact O-N 3.26Å; R131-L133 VanDerWaalsContact C-N 3.33Å; L133-G136 CarbonylContact O-C 3.59Å; L133-G136 PolarHBondContact O-N 2.91Å; L133-M137 WeakPolarHBondContact O-CB 3.45Å; L133-M137 PolarHBondContact O-N 2.87Å; L133-L518 HydrophobicContact CB-CD2 4.01Å; L133-L518 HydrophobicContact CD2-CD2 3.76Å; L133-L518 HydrophobicContact CD2-CG 3.99Å; L133-L518 HydrophobicContact CG-CD1 4.42Å; L133-L518 HydrophobicContact CG-CD2 3.87Å; L133-L518 HydrophobicContact CG-CG 4.12Å; L133-E522 HydrophobicContact CD1-CG 4.03Å; L133-E522 HydrophobicContact CD2-CG 4.31Å; L133-E522 HydrophobicContact CG-CG 4.32Å
134A98.8Very high98.2Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-63.8-39.417400000112.3M130 R131 M137 F138 L518 L558M130-A134 WeakPolarHBondContact O-CB 3.34Å; M130-A134 PolarHBondContact O-N 2.74Å; R131-A134 PolarHBondContact O-N 3.27Å; A134-M137 WeakPolarHBondContact O-CB 3.28Å; A134-M137 PolarHBondContact O-N 3.05Å; A134-F138 PolarHBondContact O-N 2.92Å; A134-L518 HydrophobicContact CB-CD1 4.03Å; A134-L518 HydrophobicContact CB-CD2 4.44Å; A134-L558 HydrophobicContact CB-CB 4.03Å
135R98.8Very high98.4Very high75 Ų7542.8 Ų42.828%0.28322%0.22SC..Hα-helixtrans-62.4-44.2170.5-166.5-172.2-65.9112.8-0.2111.1R131 D132 M137 F138 V139 M196 Y559R131-R135 PolarHBondContact O-N 3.36Å; D132-R135 IonicContact OD1-CZ 3.9Å; D132-R135 IonicContact OD1-NH1 2.81Å; D132-R135 PolarHBondContact OD1-NH1 2.93Å; D132-R135 IonicContact OD1-NH2 2.73Å; R135-M137 VanDerWaalsContact C-N 3.29Å; R135-M137 PolarHBondContact O-N 3.45Å; R135-F138 PolarHBondContact O-N 3Å; R135-V139 HydrophobicContact CG-CG2 4.47Å; R135-V139 WeakPolarHBondContact O-CG2 3.17Å; R135-V139 PolarHBondContact O-N 3.42Å; R135-M196 HydrophobicContact CB-SD 4.4Å; R135-M196 HydrophobicContact CG-SD 3.91Å; R135-Y559 HydrophobicContact CB-CD2 4Å; R135-Y559 HydrophobicContact CB-CE2 4.05Å; R135-Y559 HydrophobicContact CG-CE2 4.4Å; R135-Y559 PolarHBondContact NH2-OH 3.46Å
136G98.8Very high98.5Very high35 Ų3538.2 Ų38.236%0.36120%0.199SC..Hα-helixtrans-63-33.2176.700000113.6D132 L133 F140D132-G136 PolarHBondContact O-N 3.18Å; L133-G136 CarbonylContact O-C 3.59Å; L133-G136 PolarHBondContact O-N 2.91Å; G136-F140 VanDerWaalsContact O-CB 3.26Å; G136-F140 WeakPolarHBondContact O-CB 3.48Å; G136-F140 PolarHBondContact O-N 3.29Å
137M98.8Very high98.6Very high1 Ų139.5 Ų39.51%0.00522%0.216CC..Hα-helixtrans-63-51.4173.5175.5176.3-74.600111.3L133 A134 R135 F140 G141 L518 L521 E522 Y531 F550 L558L133-M137 WeakPolarHBondContact O-CB 3.45Å; L133-M137 PolarHBondContact O-N 2.87Å; A134-M137 WeakPolarHBondContact O-CB 3.28Å; A134-M137 PolarHBondContact O-N 3.05Å; R135-M137 VanDerWaalsContact C-N 3.29Å; R135-M137 PolarHBondContact O-N 3.45Å; M137-F140 PolarHBondContact O-N 2.9Å; M137-G141 PolarHBondContact O-N 3.18Å; M137-G141 VanDerWaalsContact O-N 3.15Å; M137-L518 HydrophobicContact CE-CD1 3.64Å; M137-L518 HydrophobicContact SD-CD1 3.92Å; M137-L521 HydrophobicContact CE-CB 3.72Å; M137-L521 HydrophobicContact CE-CD1 4.45Å; M137-L521 HydrophobicContact SD-CD1 4.33Å; M137-E522 HydrophobicContact CE-CG 3.77Å; M137-E522 WeakPolarHBondContact CE-OE1 3.32Å; M137-Y531 WeakPolarHBondContact CA-OH 3.43Å; M137-Y531 HydrophobicContact CE-CE1 3.98Å; M137-Y531 HydrophobicContact CG-CD2 4.48Å; M137-Y531 HydrophobicContact CG-CE1 4.05Å; M137-Y531 HydrophobicContact CG-CE2 3.82Å; M137-Y531 WeakPolarHBondContact O-CE2 3.19Å; M137-F550 HydrophobicContact CG-CE1 4.28Å; M137-F550 HydrophobicContact CG-CZ 3.74Å; M137-F550 HydrophobicContact SD-CE2 4.23Å; M137-F550 HydrophobicContact SD-CZ 3.72Å; M137-L558 HydrophobicContact SD-CD1 4.17Å
138F98.9Very high98.7Very high4 Ų442.5 Ų42.52%0.01823%0.23CC..Hα-helixtrans-57.6-53.2174.6178-91.2000112A134 R135 F140 G141 Y142 A189 T192 L193 M196 L551 C555A134-F138 PolarHBondContact O-N 2.92Å; R135-F138 PolarHBondContact O-N 3Å; F138-F140 VanDerWaalsContact C-N 3.32Å; F138-F140 PolarHBondContact O-N 3.2Å; F138-G141 PolarHBondContact O-N 3.19Å; F138-G141 VanDerWaalsContact O-N 3.12Å; F138-Y142 HydrophobicContact CE1-CD2 4.4Å; F138-Y142 HydrophobicContact CE1-CG 4.08Å; F138-Y142 HydrophobicContact CZ-CD2 4.05Å; F138-Y142 HydrophobicContact CZ-CG 4.19Å; F138-Y142 WeakPolarHBondContact O-CB 3.4Å; F138-Y142 PolarHBondContact O-N 3.41Å; F138-A189 HydrophobicContact CE2-CB 4.2Å; F138-A189 HydrophobicContact CZ-CB 4.22Å; F138-T192 HydrophobicContact CD2-CG2 3.62Å; F138-T192 HydrophobicContact CE2-CG2 3.35Å; F138-T192 HydrophobicContact CG-CG2 4.42Å; F138-T192 HydrophobicContact CZ-CG2 4Å; F138-L193 HydrophobicContact CE1-CD2 3.66Å; F138-L193 HydrophobicContact CE1-CG 4.39Å; F138-L193 HydrophobicContact CZ-CD2 3.92Å; F138-L193 HydrophobicContact CZ-CG 4.17Å; F138-M196 HydrophobicContact CB-CE 3.5Å; F138-M196 VanDerWaalsContact CB-CE 3.5Å; F138-M196 HydrophobicContact CB-SD 3.82Å; F138-M196 HydrophobicContact CD1-CE 4.31Å; F138-M196 HydrophobicContact CD1-SD 3.84Å; F138-M196 HydrophobicContact CD2-CE 4.02Å; F138-M196 HydrophobicContact CG-CE 3.67Å; F138-M196 HydrophobicContact CG-SD 3.82Å; F138-L551 HydrophobicContact CD2-CB 4.14Å; F138-L551 HydrophobicContact CD2-CD2 4.17Å; F138-L551 HydrophobicContact CE2-CB 3.95Å; F138-C555 HydrophobicContact CB-CB 3.96Å; F138-C555 HydrophobicContact CD2-CB 3.98Å; F138-C555 HydrophobicContact CG-CB 4.47Å
139V98.8Very high98.7Very high56 Ų5641 Ų4134%0.33922%0.218SC..Hα-helixtrans-59-43-177.6171.20000111R135 G141 Y142 D143R135-V139 HydrophobicContact CG-CG2 4.47Å; R135-V139 WeakPolarHBondContact O-CG2 3.17Å; R135-V139 PolarHBondContact O-N 3.42Å; V139-G141 PolarHBondContact O-N 2.88Å; V139-Y142 PolarHBondContact O-N 3.32Å; V139-D143 WeakPolarHBondContact CG1-OD2 3.38Å; V139-D143 VanDerWaalsContact O-CB 3.26Å; V139-D143 WeakPolarHBondContact O-CB 3.26Å; V139-D143 VanDerWaalsContact O-CG 3.31Å; V139-D143 PolarHBondContact O-N 3.38Å
140F98.9Very high98.7Very high59 Ų5938.1 Ų38.126%0.25920%0.204SC..Hα-helixtrans-62.1-41177-178.7-109.8000112.7G136 M137 F138 N144 K526 V527 Y531G136-F140 VanDerWaalsContact O-CB 3.26Å; G136-F140 WeakPolarHBondContact O-CB 3.48Å; G136-F140 PolarHBondContact O-N 3.29Å; M137-F140 PolarHBondContact O-N 2.9Å; F138-F140 VanDerWaalsContact C-N 3.32Å; F138-F140 PolarHBondContact O-N 3.2Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.4Å; F140-N144 WeakPolarHBondContact O-CB 3.48Å; F140-N144 PolarHBondContact O-N 3.2Å; F140-N144 PolarHBondContact O-ND2 2.95Å; F140-K526 HydrophobicContact CD1-CG 4.44Å; F140-K526 HydrophobicContact CE1-CG 3.99Å; F140-V527 WeakPolarHBondContact CE1-O 3.32Å; F140-Y531 HydrophobicContact CB-CE2 4.48Å; F140-Y531 HydrophobicContact CD1-CD2 4.5Å; F140-Y531 AromaticContact CD1-CE2 3.67Å; F140-Y531 HydrophobicContact CD1-CE2 3.67Å; F140-Y531 AromaticContact CD1-CZ 3.89Å; F140-Y531 HydrophobicContact CE1-CE2 4.5Å
141G98.8Very high98.6Very high0 Ų040.6 Ų40.60%022%0.221CC..Hα-helixtrans-71.2-46.8176.600000112.9M137 F138 V139 Y145M137-G141 PolarHBondContact O-N 3.18Å; M137-G141 VanDerWaalsContact O-N 3.15Å; F138-G141 PolarHBondContact O-N 3.19Å; F138-G141 VanDerWaalsContact O-N 3.12Å; V139-G141 PolarHBondContact O-N 2.88Å; G141-Y145 WeakPolarHBondContact O-CB 3.44Å; G141-Y145 PolarHBondContact O-N 3.26Å
142Y98.8Very high98.6Very high3 Ų340.9 Ų40.91%0.01223%0.225CC..Hα-helixtrans-63.7-50.8-178.7-179.3-93.7000112.2F138 V139 N144 Y145 M146 L186 A189 L193 E201F138-Y142 HydrophobicContact CE1-CD2 4.4Å; F138-Y142 HydrophobicContact CE1-CG 4.08Å; F138-Y142 HydrophobicContact CZ-CD2 4.05Å; F138-Y142 HydrophobicContact CZ-CG 4.19Å; F138-Y142 WeakPolarHBondContact O-CB 3.4Å; F138-Y142 PolarHBondContact O-N 3.41Å; V139-Y142 PolarHBondContact O-N 3.32Å; Y142-N144 VanDerWaalsContact C-N 3.3Å; Y142-N144 PolarHBondContact O-N 3.4Å; Y142-Y145 WeakPolarHBondContact O-CB 3.47Å; Y142-Y145 PolarHBondContact O-N 2.96Å; Y142-Y145 VanDerWaalsContact O-N 3.12Å; Y142-M146 HydrophobicContact CD1-CG 4.12Å; Y142-M146 HydrophobicContact CE1-CG 3.7Å; Y142-M146 HydrophobicContact CE2-CG 4.3Å; Y142-M146 HydrophobicContact CE2-SD 4.38Å; Y142-M146 WeakPolarHBondContact O-CG 3.49Å; Y142-M146 PolarHBondContact O-N 2.95Å; Y142-L186 HydrophobicContact CE2-CD1 4.35Å; Y142-A189 HydrophobicContact CD2-CB 4.15Å; Y142-A189 HydrophobicContact CE2-CB 4.33Å; Y142-L193 HydrophobicContact CE1-CD2 4.27Å; Y142-L193 HydrophobicContact CE2-CD1 4.12Å; Y142-L193 HydrophobicContact CE2-CD2 4.43Å; Y142-E201 HydrophobicContact CE1-CG 3.79Å; Y142-E201 PolarHBondContact OH-OE1 2.88Å; Y142-E201 VanDerWaalsContact OH-OE1 3.07Å
143D98.8Very high98.6Very high89 Ų8937.7 Ų37.748%0.47621%0.208SC..Hα-helixtrans-62.3-38.1-178.2-72.5-4.6000111.6V139 M146 A147V139-D143 WeakPolarHBondContact CG1-OD2 3.38Å; V139-D143 VanDerWaalsContact O-CB 3.26Å; V139-D143 WeakPolarHBondContact O-CB 3.26Å; V139-D143 VanDerWaalsContact O-CG 3.31Å; V139-D143 PolarHBondContact O-N 3.38Å; D143-M146 PolarHBondContact O-N 2.73Å; D143-A147 VanDerWaalsContact O-CB 3.29Å; D143-A147 WeakPolarHBondContact O-CB 3.29Å; D143-A147 PolarHBondContact O-N 3.48Å
144N98.8Very high98.6Very high25 Ų2535.1 Ų35.113%0.13419%0.194CC..Hα-helixtrans-71.9-35.5175.2-81.3-83.8000112.6F140 Y142 M146 A147 H148 L155 C529F140-N144 WeakPolarHBondContact CE2-ND2 3.4Å; F140-N144 WeakPolarHBondContact O-CB 3.48Å; F140-N144 PolarHBondContact O-N 3.2Å; F140-N144 PolarHBondContact O-ND2 2.95Å; Y142-N144 VanDerWaalsContact C-N 3.3Å; Y142-N144 PolarHBondContact O-N 3.4Å; N144-M146 VanDerWaalsContact C-N 3.33Å; N144-A147 PolarHBondContact O-N 3.25Å; N144-H148 VanDerWaalsContact O-CB 3.28Å; N144-H148 WeakPolarHBondContact O-CB 3.47Å; N144-H148 PolarHBondContact O-N 3.15Å; N144-H148 PolarHBondContact OD1-CD2 3.06Å; N144-L155 HydrophobicContact CB-CD2 4.07Å; N144-C529 HydrophobicContact CB-CB 4.14Å; N144-C529 WeakPolarHBondContact CB-O 3.47Å; N144-C529 WeakPolarHBondContact OD1-CA 3.43Å; N144-C529 WeakPolarHBondContact OD1-CB 3.33Å
145Y98.8Very high98.6Very high0 Ų035.1 Ų35.10%019%0.194CC..Hα-helixtrans-59.6-47170.1165.1-92.6000110.3G141 Y142 A147 H148 A149 F150 Q152 L155 T185 L186G141-Y145 WeakPolarHBondContact O-CB 3.44Å; G141-Y145 PolarHBondContact O-N 3.26Å; Y142-Y145 WeakPolarHBondContact O-CB 3.47Å; Y142-Y145 PolarHBondContact O-N 2.96Å; Y142-Y145 VanDerWaalsContact O-N 3.12Å; Y145-A147 VanDerWaalsContact C-N 3.31Å; Y145-A147 PolarHBondContact O-N 2.95Å; Y145-H148 PolarHBondContact O-N 2.74Å; Y145-A149 HydrophobicContact CD2-CB 3.44Å; Y145-A149 VanDerWaalsContact CD2-CB 3.44Å; Y145-A149 HydrophobicContact CE2-CB 3.72Å; Y145-A149 HydrophobicContact CG-CB 4.28Å; Y145-A149 CarbonylContact O-C 3.55Å; Y145-A149 WeakPolarHBondContact O-CA 3.41Å; Y145-A149 WeakPolarHBondContact O-CB 3.33Å; Y145-A149 PolarHBondContact O-N 3.41Å; Y145-F150 HydrophobicContact CE1-CB 4.1Å; Y145-F150 HydrophobicContact CE1-CD2 4.47Å; Y145-F150 PolarHBondContact O-N 2.89Å; Y145-Q152 VanDerWaalsContact CE2-O 3.3Å; Y145-Q152 WeakPolarHBondContact CE2-O 3.41Å; Y145-Q152 PolarHBondContact OH-O 3.44Å; Y145-L155 HydrophobicContact CD2-CB 4.25Å; Y145-T185 HydrophobicContact CD1-CG2 4.01Å; Y145-T185 HydrophobicContact CD2-CG2 3.8Å; Y145-T185 HydrophobicContact CE1-CG2 4.36Å; Y145-T185 HydrophobicContact CE2-CG2 4.18Å; Y145-T185 HydrophobicContact CG-CG2 3.74Å; Y145-L186 HydrophobicContact CE1-CB 3.92Å
146M98.8Very high98.6Very high41 Ų4132 Ų3220%0.20218%0.183CC..Hα-helixtrans-64-33.3177.6-66.3-50.2-6100113.2Y142 D143 N144 F150 L186 L208Y142-M146 HydrophobicContact CD1-CG 4.12Å; Y142-M146 HydrophobicContact CE1-CG 3.7Å; Y142-M146 HydrophobicContact CE2-CG 4.3Å; Y142-M146 HydrophobicContact CE2-SD 4.38Å; Y142-M146 WeakPolarHBondContact O-CG 3.49Å; Y142-M146 PolarHBondContact O-N 2.95Å; D143-M146 PolarHBondContact O-N 2.73Å; N144-M146 VanDerWaalsContact C-N 3.33Å; M146-F150 HydrophobicContact CE-CB 4.13Å; M146-F150 HydrophobicContact CE-CD1 4.33Å; M146-F150 HydrophobicContact CE-CD2 4.01Å; M146-F150 HydrophobicContact CE-CG 3.86Å; M146-F150 HydrophobicContact SD-CB 4.25Å; M146-F150 HydrophobicContact SD-CD2 4.44Å; M146-F150 HydrophobicContact SD-CG 4.45Å; M146-L186 HydrophobicContact CE-CD1 4.33Å; M146-L186 HydrophobicContact SD-CD1 3.92Å; M146-L208 HydrophobicContact CE-CD2 3.49Å; M146-L208 VanDerWaalsContact CE-CD2 3.49Å
147A98.6Very high98.6Very high70 Ų7030.3 Ų30.358%0.57917%0.166SC*.Hα-helixtrans-83.5-27.1-18000000114.7D143 N144 Y145D143-A147 VanDerWaalsContact O-CB 3.29Å; D143-A147 WeakPolarHBondContact O-CB 3.29Å; D143-A147 PolarHBondContact O-N 3.48Å; N144-A147 PolarHBondContact O-N 3.25Å; Y145-A147 VanDerWaalsContact C-N 3.31Å; Y145-A147 PolarHBondContact O-N 2.95Å
148H98.6Very high98.5Very high81 Ų8133 Ų3338%0.37518%0.18SC..Hα-helixtrans-128.6-16.2-166.8-62.1-43000115.5N144 Y145 L155 C160 R161 G162N144-H148 VanDerWaalsContact O-CB 3.28Å; N144-H148 WeakPolarHBondContact O-CB 3.47Å; N144-H148 PolarHBondContact O-N 3.15Å; N144-H148 PolarHBondContact OD1-CD2 3.06Å; Y145-H148 PolarHBondContact O-N 2.74Å; H148-L155 HydrophobicContact CB-CD1 4.01Å; H148-C160 HydrophobicContact CB-CB 4.41Å; H148-R161 CarbonylContact O-C 3.5Å; H148-R161 WeakPolarHBondContact O-CA 3.21Å; H148-G162 PolarHBondContact O-N 3.24Å
149A98.5Very high98.5Very high2 Ų238.7 Ų38.72%0.01721%0.206CC..THydrogen-bonded Turntrans-121.9-42.1-175.900000114.3Y145 Q152 E154 L155Y145-A149 HydrophobicContact CD2-CB 3.44Å; Y145-A149 VanDerWaalsContact CD2-CB 3.44Å; Y145-A149 HydrophobicContact CE2-CB 3.72Å; Y145-A149 HydrophobicContact CG-CB 4.28Å; Y145-A149 CarbonylContact O-C 3.55Å; Y145-A149 WeakPolarHBondContact O-CA 3.41Å; Y145-A149 WeakPolarHBondContact O-CB 3.33Å; Y145-A149 PolarHBondContact O-N 3.41Å; A149-Q152 WeakPolarHBondContact O-CA 3.37Å; A149-Q152 WeakPolarHBondContact O-CB 3.36Å; A149-Q152 WeakPolarHBondContact O-CG 3.36Å; A149-Q152 PolarHBondContact O-N 3.39Å; A149-E154 WeakPolarHBondContact CB-O 3.35Å; A149-L155 HydrophobicContact CB-CB 3.99Å; A149-L155 HydrophobicContact CB-CD1 3.75Å; A149-L155 HydrophobicContact CB-CG 4.46Å
150F98.3Very high98.5Very high56 Ų5637 Ų3725%0.24620%0.197CC..THydrogen-bonded Turntrans-50.2131.5178.4177.1-93.5000111.4Y145 M146 L186 L208 T212Y145-F150 HydrophobicContact CE1-CB 4.1Å; Y145-F150 HydrophobicContact CE1-CD2 4.47Å; Y145-F150 PolarHBondContact O-N 2.89Å; M146-F150 HydrophobicContact CE-CB 4.13Å; M146-F150 HydrophobicContact CE-CD1 4.33Å; M146-F150 HydrophobicContact CE-CD2 4.01Å; M146-F150 HydrophobicContact CE-CG 3.86Å; M146-F150 HydrophobicContact SD-CB 4.25Å; M146-F150 HydrophobicContact SD-CD2 4.44Å; M146-F150 HydrophobicContact SD-CG 4.45Å; F150-L186 HydrophobicContact CD2-CD2 3.93Å; F150-L186 HydrophobicContact CE2-CD2 3.57Å; F150-L208 HydrophobicContact CD2-CD2 4.29Å; F150-L208 HydrophobicContact CE1-CD1 4.2Å; F150-L208 HydrophobicContact CE1-CD2 4.04Å; F150-L208 HydrophobicContact CE1-CG 4.41Å; F150-L208 HydrophobicContact CE2-CD2 3.75Å; F150-L208 HydrophobicContact CE2-CG 3.98Å; F150-L208 HydrophobicContact CZ-CD1 3.74Å; F150-L208 HydrophobicContact CZ-CD2 3.61Å; F150-L208 HydrophobicContact CZ-CG 3.66Å; F150-T212 HydrophobicContact CZ-CG2 4.39Å
151P97.4Very high98.5Very high67 Ų6740.8 Ų40.844%0.43521%0.209SC..THydrogen-bonded Turncis-94.115.69.538.9-37.9000115.5S183P151-S183 WeakPolarHBondContact O-CA 3.42Å; P151-S183 WeakPolarHBondContact O-CB 3.44Å; P151-S183 PolarHBondContact O-OG 2.78Å
152Q97.9Very high98.4Very high72 Ų7242 Ų4234%0.33622%0.222SC..SBendtrans-65.6164.5174.5-56.5-62.8-45.200111.3Y145 A149 R163Y145-Q152 VanDerWaalsContact CE2-O 3.3Å; Y145-Q152 WeakPolarHBondContact CE2-O 3.41Å; Y145-Q152 PolarHBondContact OH-O 3.44Å; A149-Q152 WeakPolarHBondContact O-CA 3.37Å; A149-Q152 WeakPolarHBondContact O-CB 3.36Å; A149-Q152 WeakPolarHBondContact O-CG 3.36Å; A149-Q152 PolarHBondContact O-N 3.39Å; Q152-R163 WeakPolarHBondContact CB-O 3.41Å
153D98.4Very high98.3Very high0 Ų044.5 Ų44.50%023%0.231CC..SBendtrans-72.1-41.1-172.1-64-45.3000112.9R163 L179 N181 Y182 S183 L184 T185D153-R163 PolarHBondContact N-O 3.25Å; D153-L179 HydrophobicContact CB-CB 4.14Å; D153-L179 HydrophobicContact CB-CD2 3.67Å; D153-L179 HydrophobicContact CB-CG 4.3Å; D153-N181 WeakPolarHBondContact OD1-CA 3.35Å; D153-N181 PolarHBondContact OD1-N 3.01Å; D153-N181 WeakPolarHBondContact OD2-CA 3.5Å; D153-N181 PolarHBondContact OD2-N 3.39Å; D153-Y182 PolarHBondContact OD1-N 3.49Å; D153-S183 PolarHBondContact OD1-N 2.97Å; D153-L184 HydrophobicContact CB-CB 3.71Å; D153-L184 PolarHBondContact OD1-N 3.44Å; D153-T185 VanDerWaalsContact O-CB 3.26Å; D153-T185 WeakPolarHBondContact O-CB 3.41Å; D153-T185 PolarHBondContact O-N 3.1Å; D153-T185 PolarHBondContact O-OG1 2.94Å
154E98.3Very high98.2Very high1 Ų140.9 Ų40.91%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-133166.4-176-80.2-179.8172.300112.7A149 G162 R163 L179 R545A149-E154 WeakPolarHBondContact CB-O 3.35Å; E154-G162 CarbonylContact O-C 3.48Å; E154-G162 WeakPolarHBondContact O-CA 3.37Å; E154-R163 HydrophobicContact CB-CB 4.13Å; E154-R163 PolarHBondContact N-O 3.06Å; E154-R163 PolarHBondContact O-N 3.12Å; E154-R163 WeakPolarHBondContact OE2-CD 3.26Å; E154-L179 HydrophobicContact CB-CD2 4.45Å; E154-L179 HydrophobicContact CG-CD2 3.74Å; E154-R545 IonicContact OE1-CZ 3.21Å; E154-R545 IonicContact OE1-NE 3.77Å; E154-R545 PolarHBondContact OE1-NE 3.42Å; E154-R545 IonicContact OE1-NH2 3.37Å; E154-R545 PolarHBondContact OE1-NH2 3.15Å; E154-R545 IonicContact OE2-CZ 2.77Å; E154-R545 IonicContact OE2-NE 2.75Å; E154-R545 PolarHBondContact OE2-NE 2.89Å; E154-R545 IonicContact OE2-NH2 3.99Å; E154-R545 PolarHBondContact OE2-NH2 3.14Å
155L98.6Very high98Very high0 Ų040.7 Ų40.70%022%0.215CC..EExtended strand (participates in β ladder)trans-100.3135.3172.1-179.261.4000111.2N144 Y145 H148 A149 P157 C529 M546N144-L155 HydrophobicContact CB-CD2 4.07Å; Y145-L155 HydrophobicContact CD2-CB 4.25Å; H148-L155 HydrophobicContact CB-CD1 4.01Å; A149-L155 HydrophobicContact CB-CB 3.99Å; A149-L155 HydrophobicContact CB-CD1 3.75Å; A149-L155 HydrophobicContact CB-CG 4.46Å; L155-P157 HydrophobicContact CD2-CB 4.31Å; L155-P157 HydrophobicContact CG-CB 4.25Å; L155-P157 WeakPolarHBondContact O-CD 3.28Å; L155-C529 WeakPolarHBondContact CD2-O 3.44Å; L155-M546 HydrophobicContact CB-CB 4.46Å; L155-M546 HydrophobicContact CB-CE 4.17Å; L155-M546 HydrophobicContact CD2-CE 3.95Å; L155-M546 PolarHBondContact O-N 2.89Å
156N98.6Very high97.8Very high10 Ų1043.2 Ų43.25%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-91.998.5160.3-68.1-38.5000107.5C160 R161 G162 R163 D544N156-C160 WeakPolarHBondContact O-CA 3.47Å; N156-C160 PolarHBondContact O-N 2.83Å; N156-R161 HydrophobicContact CB-CG 3.71Å; N156-R161 VanDerWaalsContact CB-O 3.25Å; N156-R161 WeakPolarHBondContact CB-O 3.47Å; N156-R161 PolarHBondContact N-O 2.87Å; N156-R161 PolarHBondContact O-N 3.02Å; N156-G162 PolarHBondContact ND2-O 2.88Å; N156-R163 VanDerWaalsContact OD1-CZ 3.31Å; N156-R163 PolarHBondContact OD1-NE 3.36Å; N156-R163 PolarHBondContact OD1-NH2 2.84Å; N156-D544 WeakPolarHBondContact CA-OD1 3.25Å; N156-D544 WeakPolarHBondContact CB-OD1 3.49Å; N156-D544 WeakPolarHBondContact CB-OD2 3.27Å; N156-D544 PolarHBondContact OD1-O 2.82Å
157P98.6Very high97.4Very high0 Ų050.3 Ų50.30%025%0.253CS..THydrogen-bonded Turntrans-85-12.5-161.436.3-38.9000114L155 V527 C529 A532 M546L155-P157 HydrophobicContact CD2-CB 4.31Å; L155-P157 HydrophobicContact CG-CB 4.25Å; L155-P157 WeakPolarHBondContact O-CD 3.28Å; P157-V527 HydrophobicContact CB-CG2 3.62Å; P157-V527 HydrophobicContact CG-CG2 3.79Å; P157-V527 WeakPolarHBondContact O-CG2 3.47Å; P157-C529 PolarHBondContact O-N 3.44Å; P157-A532 HydrophobicContact CG-CB 4.05Å; P157-M546 HydrophobicContact CB-CB 4.49Å; P157-M546 HydrophobicContact CG-CB 4.16Å
158I98.4Very high97.1Very high58 Ų5850.4 Ų50.430%0.29726%0.261SS..THydrogen-bonded Turntrans-82-47.6174.3-55.8178.4000109V527 A532 D544I158-V527 HydrophobicContact CG1-CB 4.27Å; I158-V527 HydrophobicContact CG1-CG1 4.17Å; I158-V527 HydrophobicContact CG1-CG2 4.05Å; I158-A532 HydrophobicContact CD1-CB 4.31Å; I158-A532 HydrophobicContact CG1-CB 4.22Å; I158-D544 WeakPolarHBondContact CA-OD1 3.46Å; I158-D544 HydrophobicContact CB-CB 4.21Å; I158-D544 VanDerWaalsContact CB-OD1 3.29Å; I158-D544 WeakPolarHBondContact CB-OD1 3.34Å; I158-D544 HydrophobicContact CD1-CB 4.11Å; I158-D544 HydrophobicContact CG1-CB 4.31Å; I158-D544 PolarHBondContact N-OD1 3.44Å
159H98.3Very high96.8Very high122 Ų12249.8 Ų49.857%0.56526%0.261SS*.THydrogen-bonded Turntrans-89-5.3179.7-65.9102.6000114.4R161 D544H159-R161 HydrophobicContact CB-CG 4.19Å; H159-D544 IonicContact CE1-OD2 3.57Å; H159-D544 IonicContact CG-OD2 3.88Å; H159-D544 PolarHBondContact N-OD1 3.13Å; H159-D544 VanDerWaalsContact N-OD1 3.12Å; H159-D544 VanDerWaalsContact ND1-CG 3.3Å; H159-D544 IonicContact ND1-OD1 3.48Å; H159-D544 IonicContact ND1-OD2 2.85Å; H159-D544 PolarHBondContact ND1-OD2 3.29Å
160C98.4Very high96.3Very high21 Ų2154.6 Ų54.614%0.14229%0.292CS..THydrogen-bonded Turntrans55.858.6178.4-48.90000112.6H148 N156 K528 C529H148-C160 HydrophobicContact CB-CB 4.41Å; N156-C160 WeakPolarHBondContact O-CA 3.47Å; N156-C160 PolarHBondContact O-N 2.83Å; C160-K528 VanDerWaalsContact SG-CD 3.59Å; C160-C529 HydrophobicContact CB-CB 3.79Å; C160-C529 WeakPolarHBondContact CB-SG 3.06Å; C160-C529 WeakPolarHBondContact SG-CB 2.82Å; C160-C529 CovalentContact SG-SG 2.03Å; C160-C529 PolarHBondContact SG-SG 3.46Å
161R98.1Very high95.7Very high139 Ų13956 Ų5653%0.52531%0.309SS..EExtended strand (participates in β ladder)trans-147155.9-178.463-178.9176.4165.70111.7H148 N156 H159 D544H148-R161 CarbonylContact O-C 3.5Å; H148-R161 WeakPolarHBondContact O-CA 3.21Å; N156-R161 HydrophobicContact CB-CG 3.71Å; N156-R161 VanDerWaalsContact CB-O 3.25Å; N156-R161 WeakPolarHBondContact CB-O 3.47Å; N156-R161 PolarHBondContact N-O 2.87Å; N156-R161 PolarHBondContact O-N 3.02Å; H159-R161 HydrophobicContact CB-CG 4.19Å; R161-D544 IonicContact NE-OD2 2.74Å; R161-D544 IonicContact NH2-OD2 2.73Å
162G97.7Very high95.4Very high25 Ų2554.3 Ų54.326%0.25830%0.295SS..EExtended strand (participates in β ladder)trans-67.7156.7173.500000114.4H148 E154 N156H148-G162 PolarHBondContact O-N 3.24Å; E154-G162 CarbonylContact O-C 3.48Å; E154-G162 WeakPolarHBondContact O-CA 3.37Å; N156-G162 PolarHBondContact ND2-O 2.88Å
163R96.3Very high95Very high55 Ų5553.8 Ų53.821%0.20830%0.295CS..EExtended strand (participates in β ladder)trans-129.6132.9169.5-175.4-170.4-71.3-140.8-1.2109Q152 D153 E154 N156 L179 D544Q152-R163 WeakPolarHBondContact CB-O 3.41Å; D153-R163 PolarHBondContact N-O 3.25Å; E154-R163 HydrophobicContact CB-CB 4.13Å; E154-R163 PolarHBondContact N-O 3.06Å; E154-R163 PolarHBondContact O-N 3.12Å; E154-R163 WeakPolarHBondContact OE2-CD 3.26Å; N156-R163 VanDerWaalsContact OD1-CZ 3.31Å; N156-R163 PolarHBondContact OD1-NE 3.36Å; N156-R163 PolarHBondContact OD1-NH2 2.84Å; R163-L179 HydrophobicContact CB-CD1 4.43Å; R163-L179 HydrophobicContact CG-CD1 3.61Å; R163-D544 PolarHBondContact NH2-O 3.04Å
164G96.3Very high94.3Very high14 Ų1456.3 Ų56.314%0.14431%0.308CS..  trans-133.8-166.6170.700000109.8
165P95.3Very high94Very high21 Ų2157.7 Ų57.714%0.13632%0.316CS..  trans-55.7141.5-178.314.5-26.1000113.2R167 L179 N181P165-R167 PolarHBondContact O-N 2.67Å; P165-L179 VanDerWaalsContact CB-O 3.22Å; P165-L179 WeakPolarHBondContact CB-O 3.49Å; P165-L179 VanDerWaalsContact CD-O 3.28Å; P165-L179 WeakPolarHBondContact CD-O 3.02Å; P165-L179 WeakPolarHBondContact CG-O 3Å; P165-N181 HydrophobicContact CG-CB 3.88Å
166D94.3Very high93.7Very high52 Ų5258.3 Ų58.328%0.27832%0.319SS..  trans-74.389.2170.8-168.8-14.3000110G168 D169 N172 I175 N176D166-G168 PolarHBondContact O-N 2.93Å; D166-G168 WeakPolarHBondContact OD1-CA 3.37Å; D166-G168 PolarHBondContact OD1-N 3.49Å; D166-D169 CarbonylContact O-C 3.56Å; D166-D169 VanDerWaalsContact O-C 3.29Å; D166-D169 PolarHBondContact OD1-N 2.96Å; D166-N172 HydrophobicContact CB-CB 4.16Å; D166-N172 PolarHBondContact OD2-ND2 2.86Å; D166-I175 HydrophobicContact CB-CG2 4.45Å; D166-N176 PolarHBondContact N-OD1 3.28Å; D166-N176 PolarHBondContact O-ND2 3.44Å
167R91.3Very high93.4Very high191 Ų19158.7 Ų58.772%0.72132%0.321SS*.SBendtrans-72.7-11174.6-57.2-174.9-175-164.61113.3P165 N181P165-R167 PolarHBondContact O-N 2.67Å; R167-N181 PolarHBondContact NH2-ND2 2.84Å
168G92.3Very high93.2Very high72 Ų7259.5 Ų59.574%0.74233%0.326SS*.SBendtrans-82.2-3517600000111.9D166D166-G168 PolarHBondContact O-N 2.93Å; D166-G168 WeakPolarHBondContact OD1-CA 3.37Å; D166-G168 PolarHBondContact OD1-N 3.49Å
169D91.8Very high93.1Very high68 Ų6856.8 Ų56.836%0.36431%0.312SS..  trans-13092.1173.5-175.11.3000111.4D166 S171 N172 N176D166-D169 CarbonylContact O-C 3.56Å; D166-D169 VanDerWaalsContact O-C 3.29Å; D166-D169 PolarHBondContact OD1-N 2.96Å; D169-S171 PolarHBondContact O-N 3.01Å; D169-S171 VanDerWaalsContact O-N 3.07Å; D169-S171 WeakPolarHBondContact OD1-CA 3.47Å; D169-S171 WeakPolarHBondContact OD1-CB 3.35Å; D169-S171 PolarHBondContact OD1-N 3.36Å; D169-S171 PolarHBondContact OD1-OG 2.85Å; D169-N172 HydrophobicContact CB-CB 4.15Å; D169-N172 VanDerWaalsContact O-CB 3.22Å; D169-N172 WeakPolarHBondContact O-CB 3.46Å; D169-N172 PolarHBondContact O-N 2.82Å; D169-N176 PolarHBondContact O-ND2 2.93Å
170P86.9Confident93Very high103 Ų10351 Ų5167%0.66929%0.285SS*.THydrogen-bonded Turntrans-56.4-21.9173.1-26.736.1000114.1N172 N176P170-N172 VanDerWaalsContact C-N 3.3Å; P170-N176 WeakPolarHBondContact CA-ND2 3.47Å; P170-N176 PolarHBondContact O-ND2 3.45Å; P170-N176 VanDerWaalsContact O-ND2 3.17Å
171S87.4Confident92.9Very high86 Ų8651.6 Ų51.660%0.60129%0.287SS*.THydrogen-bonded Turntrans-84.30.6177.978.90000114D169 L173D169-S171 PolarHBondContact O-N 3.01Å; D169-S171 VanDerWaalsContact O-N 3.07Å; D169-S171 WeakPolarHBondContact OD1-CA 3.47Å; D169-S171 WeakPolarHBondContact OD1-CB 3.35Å; D169-S171 PolarHBondContact OD1-N 3.36Å; D169-S171 PolarHBondContact OD1-OG 2.85Å; S171-L173 WeakPolarHBondContact O-CG 3.43Å; S171-L173 PolarHBondContact O-N 2.84Å
172N91.1Very high92.8Very high30 Ų3045 Ų4516%0.1626%0.262CS..  trans-75.770.8175.3-169.4-2.2000111.7D166 D169 P170 N174 I175 N176D166-N172 HydrophobicContact CB-CB 4.16Å; D166-N172 PolarHBondContact OD2-ND2 2.86Å; D169-N172 HydrophobicContact CB-CB 4.15Å; D169-N172 VanDerWaalsContact O-CB 3.22Å; D169-N172 WeakPolarHBondContact O-CB 3.46Å; D169-N172 PolarHBondContact O-N 2.82Å; P170-N172 VanDerWaalsContact C-N 3.3Å; N172-N174 PolarHBondContact O-N 2.92Å; N172-I175 WeakPolarHBondContact ND2-CD1 3.02Å; N172-I175 PolarHBondContact O-N 3.4Å; N172-N176 PolarHBondContact O-N 2.66Å
173L88.3Confident92.8Very high61 Ų6144.1 Ų44.132%0.31925%0.251SS..Hα-helixtrans-55.6-37-175.3-54.4-177.1000112.6S171 I175 N176 D177S171-L173 WeakPolarHBondContact O-CG 3.43Å; S171-L173 PolarHBondContact O-N 2.84Å; L173-I175 PolarHBondContact O-N 2.89Å; L173-N176 PolarHBondContact O-N 3.28Å; L173-D177 WeakPolarHBondContact O-CB 3.48Å; L173-D177 PolarHBondContact O-N 3.17Å
174N85.3Confident93Very high54 Ų5441.5 Ų41.529%0.28924%0.242SC..Hα-helixtrans-62.3-12.2179.9-51.6-63.2000114.1P38 L39 N172P38-N174 PolarHBondContact O-ND2 3.2Å; L39-N174 HydrophobicContact CD2-CB 4.05Å; L39-N174 WeakPolarHBondContact CD2-OD1 3.26Å; N172-N174 PolarHBondContact O-N 2.92Å
175I90.7Very high93.1Very high30 Ų3040.9 Ų40.915%0.15424%0.235CC..Hα-helixtrans-115.4-51.2172.7-59-170000109.9D166 N172 L173 D177 V178 L179D166-I175 HydrophobicContact CB-CG2 4.45Å; N172-I175 WeakPolarHBondContact ND2-CD1 3.02Å; N172-I175 PolarHBondContact O-N 3.4Å; L173-I175 PolarHBondContact O-N 2.89Å; I175-D177 VanDerWaalsContact C-N 3.33Å; I175-D177 PolarHBondContact O-N 3.17Å; I175-V178 PolarHBondContact O-N 3.16Å; I175-L179 HydrophobicContact CG2-CB 4.46Å; I175-L179 HydrophobicContact CG2-CD1 3.61Å; I175-L179 HydrophobicContact CG2-CG 4.08Å; I175-L179 WeakPolarHBondContact O-CG 3.31Å; I175-L179 PolarHBondContact O-N 2.84Å
176N92.9Very high93.2Very high13 Ų1339.9 Ų39.97%0.0723%0.228CC..Hα-helixtrans-71.8-23.2-168.9-65.1-19.4000114.1D166 D169 P170 N172 L173 V178 T220D166-N176 PolarHBondContact N-OD1 3.28Å; D166-N176 PolarHBondContact O-ND2 3.44Å; D169-N176 PolarHBondContact O-ND2 2.93Å; P170-N176 WeakPolarHBondContact CA-ND2 3.47Å; P170-N176 PolarHBondContact O-ND2 3.45Å; P170-N176 VanDerWaalsContact O-ND2 3.17Å; N172-N176 PolarHBondContact O-N 2.66Å; L173-N176 PolarHBondContact O-N 3.28Å; N176-V178 PolarHBondContact O-N 2.8Å; N176-T220 VanDerWaalsContact O-O 3.06Å
177D92.8Very high93.5Very high18 Ų1837.4 Ų37.410%0.09622%0.215CC..THydrogen-bonded Turntrans-62.6-33.7177.3-73.8-7.2000112.1L173 I175 Q222 R286L173-D177 WeakPolarHBondContact O-CB 3.48Å; L173-D177 PolarHBondContact O-N 3.17Å; I175-D177 VanDerWaalsContact C-N 3.33Å; I175-D177 PolarHBondContact O-N 3.17Å; D177-Q222 HydrophobicContact CB-CB 3.74Å; D177-Q222 PolarHBondContact O-N 3.25Å; D177-Q222 PolarHBondContact OD2-OE1 3.23Å; D177-R286 VanDerWaalsContact CG-NH2 3.33Å; D177-R286 IonicContact OD1-CZ 2.73Å; D177-R286 IonicContact OD1-NE 3.45Å; D177-R286 PolarHBondContact OD1-NE 2.99Å; D177-R286 IonicContact OD1-NH2 3.45Å; D177-R286 PolarHBondContact OD1-NH2 3.26Å; D177-R286 IonicContact OD2-CZ 2.65Å; D177-R286 IonicContact OD2-NE 3.55Å; D177-R286 IonicContact OD2-NH2 3.54Å; D177-R286 PolarHBondContact OD2-NH2 2.96Å
178V94.1Very high93.8Very high17 Ų1728.3 Ų28.310%0.10318%0.181CC..THydrogen-bonded Turntrans-102.3-39.8-175-178.10000111.8I175 N176 G180 Y182 L184 E225I175-V178 PolarHBondContact O-N 3.16Å; N176-V178 PolarHBondContact O-N 2.8Å; V178-G180 PolarHBondContact O-N 3.42Å; V178-Y182 PolarHBondContact O-OH 2.7Å; V178-L184 HydrophobicContact CG1-CD2 3.41Å; V178-L184 VanDerWaalsContact CG1-CD2 3.41Å; V178-E225 HydrophobicContact CG2-CB 4.24Å; V178-E225 HydrophobicContact CG2-CG 3.82Å
179L96.4Very high94.1Very high0 Ų024.9 Ų24.90%015%0.146CC..  trans-91.689.2-170.4-51.6-166.4000112.6D153 E154 R163 P165 I175 L184D153-L179 HydrophobicContact CB-CB 4.14Å; D153-L179 HydrophobicContact CB-CD2 3.67Å; D153-L179 HydrophobicContact CB-CG 4.3Å; E154-L179 HydrophobicContact CB-CD2 4.45Å; E154-L179 HydrophobicContact CG-CD2 3.74Å; R163-L179 HydrophobicContact CB-CD1 4.43Å; R163-L179 HydrophobicContact CG-CD1 3.61Å; P165-L179 VanDerWaalsContact CB-O 3.22Å; P165-L179 WeakPolarHBondContact CB-O 3.49Å; P165-L179 VanDerWaalsContact CD-O 3.28Å; P165-L179 WeakPolarHBondContact CD-O 3.02Å; P165-L179 WeakPolarHBondContact CG-O 3Å; I175-L179 HydrophobicContact CG2-CB 4.46Å; I175-L179 HydrophobicContact CG2-CD1 3.61Å; I175-L179 HydrophobicContact CG2-CG 4.08Å; I175-L179 WeakPolarHBondContact O-CG 3.31Å; I175-L179 PolarHBondContact O-N 2.84Å; L179-L184 HydrophobicContact CD2-CD2 4.01Å
180G95.3Very high94.5Very high0 Ų021.7 Ų21.70%013%0.128CC..  trans-89.49.2-179.400000116.9V178 Y182V178-G180 PolarHBondContact O-N 3.42Å; G180-Y182 VanDerWaalsContact CA-CE1 3.42Å
181N96.3Very high95Very high34 Ų3416.8 Ų16.818%0.18210%0.097CC..SBendtrans58.849.8-176.2-17347.2000113.4D153 P165 R167 K217D153-N181 WeakPolarHBondContact OD1-CA 3.35Å; D153-N181 PolarHBondContact OD1-N 3.01Å; D153-N181 WeakPolarHBondContact OD2-CA 3.5Å; D153-N181 PolarHBondContact OD2-N 3.39Å; P165-N181 HydrophobicContact CG-CB 3.88Å; R167-N181 PolarHBondContact NH2-ND2 2.84Å; N181-K217 WeakPolarHBondContact O-CE 3.4Å; N181-K217 PolarHBondContact O-NZ 2.78Å
182Y96.9Very high95.5Very high2 Ų212.7 Ų12.71%0.0087%0.068CC..SBendtrans-129.720.3-177.449.8-125.3000113.3D153 V178 G180 L184 V213 F215 V221 V230 L289D153-Y182 PolarHBondContact OD1-N 3.49Å; V178-Y182 PolarHBondContact O-OH 2.7Å; G180-Y182 VanDerWaalsContact CA-CE1 3.42Å; Y182-L184 HydrophobicContact CD2-CB 4.11Å; Y182-L184 HydrophobicContact CE2-CB 3.7Å; Y182-L184 HydrophobicContact CE2-CD1 3.87Å; Y182-L184 HydrophobicContact CE2-CG 4.26Å; Y182-V213 WeakPolarHBondContact O-CG2 3.36Å; Y182-F215 HydrophobicContact CD1-CD1 4.32Å; Y182-F215 HydrophobicContact CD1-CE1 4.39Å; Y182-F215 HydrophobicContact CG-CE1 4.24Å; Y182-V221 HydrophobicContact CE1-CG1 4.26Å; Y182-V230 HydrophobicContact CD2-CG2 3.96Å; Y182-V230 HydrophobicContact CE1-CG2 4.24Å; Y182-V230 HydrophobicContact CE2-CG2 3.29Å; Y182-V230 VanDerWaalsContact CZ-CG2 3.45Å; Y182-L289 HydrophobicContact CD1-CD1 4.22Å; Y182-L289 HydrophobicContact CE1-CD1 4.41Å
183S98.2Very high95.9Very high5 Ų511.3 Ų11.34%0.0356%0.061CC..  trans61.443.7-179.9-49.90000112.8P151 D153 T185 L186 V187P151-S183 WeakPolarHBondContact O-CA 3.42Å; P151-S183 WeakPolarHBondContact O-CB 3.44Å; P151-S183 PolarHBondContact O-OG 2.78Å; D153-S183 PolarHBondContact OD1-N 2.97Å; S183-T185 PolarHBondContact O-N 3.32Å; S183-T185 VanDerWaalsContact O-N 3.16Å; S183-L186 WeakPolarHBondContact O-CB 3.43Å; S183-L186 PolarHBondContact O-N 3.3Å; S183-V187 PolarHBondContact O-N 2.92Å
184L98.7Very high96.3Very high0 Ų08.4 Ų8.40%05%0.046CC..Hα-helixtrans-37.6-58.6-174.5175.557.5000114.3D153 V178 L179 Y182 L186 V187 D188 R229 V230 S548D153-L184 HydrophobicContact CB-CB 3.71Å; D153-L184 PolarHBondContact OD1-N 3.44Å; V178-L184 HydrophobicContact CG1-CD2 3.41Å; V178-L184 VanDerWaalsContact CG1-CD2 3.41Å; L179-L184 HydrophobicContact CD2-CD2 4.01Å; Y182-L184 HydrophobicContact CD2-CB 4.11Å; Y182-L184 HydrophobicContact CE2-CB 3.7Å; Y182-L184 HydrophobicContact CE2-CD1 3.87Å; Y182-L184 HydrophobicContact CE2-CG 4.26Å; L184-L186 VanDerWaalsContact C-N 3.27Å; L184-L186 PolarHBondContact O-N 2.97Å; L184-V187 PolarHBondContact O-N 3.26Å; L184-D188 HydrophobicContact CD1-CB 4.28Å; L184-D188 VanDerWaalsContact O-CB 3.29Å; L184-D188 WeakPolarHBondContact O-CB 3.43Å; L184-D188 PolarHBondContact O-N 2.91Å; L184-R229 HydrophobicContact CD1-CB 3.72Å; L184-R229 HydrophobicContact CD1-CG 4.28Å; L184-V230 HydrophobicContact CD1-CG2 4.16Å; L184-S548 WeakPolarHBondContact CD2-OG 3.23Å
185T98.8Very high96.9Very high1 Ų16 Ų61%0.0063%0.032CC..Hα-helixtrans-61.7-30.9-175.2-57.40000113.3Y145 D153 S183 A189 L551Y145-T185 HydrophobicContact CD1-CG2 4.01Å; Y145-T185 HydrophobicContact CD2-CG2 3.8Å; Y145-T185 HydrophobicContact CE1-CG2 4.36Å; Y145-T185 HydrophobicContact CE2-CG2 4.18Å; Y145-T185 HydrophobicContact CG-CG2 3.74Å; D153-T185 VanDerWaalsContact O-CB 3.26Å; D153-T185 WeakPolarHBondContact O-CB 3.41Å; D153-T185 PolarHBondContact O-N 3.1Å; D153-T185 PolarHBondContact O-OG1 2.94Å; S183-T185 PolarHBondContact O-N 3.32Å; S183-T185 VanDerWaalsContact O-N 3.16Å; T185-A189 WeakPolarHBondContact O-CB 3.25Å; T185-A189 PolarHBondContact O-N 3Å; T185-L551 HydrophobicContact CG2-CD1 3.72Å
186L98.8Very high97.2Very high0 Ų05.4 Ų5.40%03%0.029CC..Hα-helixtrans-66.6-45.2172.3176.761.1000111.1Y142 Y145 M146 F150 S183 L184 A205 L208 V209Y142-L186 HydrophobicContact CE2-CD1 4.35Å; Y145-L186 HydrophobicContact CE1-CB 3.92Å; M146-L186 HydrophobicContact CE-CD1 4.33Å; M146-L186 HydrophobicContact SD-CD1 3.92Å; F150-L186 HydrophobicContact CD2-CD2 3.93Å; F150-L186 HydrophobicContact CE2-CD2 3.57Å; S183-L186 WeakPolarHBondContact O-CB 3.43Å; S183-L186 PolarHBondContact O-N 3.3Å; L184-L186 VanDerWaalsContact C-N 3.27Å; L184-L186 PolarHBondContact O-N 2.97Å; L186-A205 HydrophobicContact CD1-CB 3.86Å; L186-L208 HydrophobicContact CD2-CB 4.25Å; L186-L208 HydrophobicContact CD2-CD2 3.8Å; L186-L208 HydrophobicContact CD2-CG 3.93Å; L186-V209 HydrophobicContact CD2-CG2 3.7Å; L186-V209 HydrophobicContact CG-CG2 3.72Å
187V98.8Very high97.3Very high0 Ų07 Ų70%05%0.049CC..Hα-helixtrans-68.5-52.3-178.4-179.40000109.9S183 L184 A189 L190 V209 V213 V230 S233 L234S183-V187 PolarHBondContact O-N 2.92Å; L184-V187 PolarHBondContact O-N 3.26Å; V187-A189 VanDerWaalsContact C-N 3.26Å; V187-A189 PolarHBondContact O-N 3.24Å; V187-L190 WeakPolarHBondContact O-CB 3.34Å; V187-L190 VanDerWaalsContact O-CG 3.25Å; V187-L190 WeakPolarHBondContact O-CG 3.28Å; V187-L190 PolarHBondContact O-N 3.36Å; V187-L190 VanDerWaalsContact O-N 3.12Å; V187-V209 HydrophobicContact CG2-CG1 4.25Å; V187-V209 HydrophobicContact CG2-CG2 3.97Å; V187-V213 HydrophobicContact CG2-CG2 4.27Å; V187-V230 HydrophobicContact CG1-CG1 4.1Å; V187-S233 WeakPolarHBondContact O-CB 3.49Å; V187-S233 PolarHBondContact O-OG 3.43Å; V187-L234 HydrophobicContact CG1-CD2 4.39Å; V187-L234 HydrophobicContact CG1-CG 4.31Å
188D98.7Very high97.3Very high1 Ų19.2 Ų9.21%0.0056%0.061CC..Hα-helixtrans-56.6-38.5-177.5-155.7-16.8000111.8L184 L190 R229 S548 S552 H582L184-D188 HydrophobicContact CD1-CB 4.28Å; L184-D188 VanDerWaalsContact O-CB 3.29Å; L184-D188 WeakPolarHBondContact O-CB 3.43Å; L184-D188 PolarHBondContact O-N 2.91Å; D188-L190 PolarHBondContact O-N 2.78Å; D188-R229 IonicContact OD2-NH1 2.7Å; D188-S548 WeakPolarHBondContact OD2-CB 3.4Å; D188-S548 PolarHBondContact OD2-OG 3.12Å; D188-S552 VanDerWaalsContact CG-OG 3.3Å; D188-S552 WeakPolarHBondContact O-CB 3.44Å; D188-S552 WeakPolarHBondContact OD1-CB 3.45Å; D188-S552 PolarHBondContact OD1-OG 2.8Å; D188-H582 PolarHBondContact O-CE1 3.37Å; D188-H582 IonicContact OD1-CE1 2.69Å; D188-H582 PolarHBondContact OD1-CE1 2.86Å; D188-H582 IonicContact OD1-NE2 3.39Å
189A98.6Very high97.4Very high0 Ų09.6 Ų9.60%06%0.064CC..THydrogen-bonded Turntrans-79.1-4.4-179.200000115.9F138 Y142 T185 V187 D191 T192 L193 L551F138-A189 HydrophobicContact CE2-CB 4.2Å; F138-A189 HydrophobicContact CZ-CB 4.22Å; Y142-A189 HydrophobicContact CD2-CB 4.15Å; Y142-A189 HydrophobicContact CE2-CB 4.33Å; T185-A189 WeakPolarHBondContact O-CB 3.25Å; T185-A189 PolarHBondContact O-N 3Å; V187-A189 VanDerWaalsContact C-N 3.26Å; V187-A189 PolarHBondContact O-N 3.24Å; A189-D191 PolarHBondContact O-N 3.39Å; A189-T192 WeakPolarHBondContact O-CB 3.46Å; A189-T192 PolarHBondContact O-N 2.57Å; A189-L193 PolarHBondContact O-N 3.13Å; A189-L551 HydrophobicContact CB-CB 4.39Å
190L98.8Very high97.5Very high0 Ų014.1 Ų14.10%010%0.096CC..Hα-helixtrans-56.2-54.6-171.8-73.9178.1000113.2V187 D188 T192 L193 F202 A205 V206 V209 A237V187-L190 WeakPolarHBondContact O-CB 3.34Å; V187-L190 VanDerWaalsContact O-CG 3.25Å; V187-L190 WeakPolarHBondContact O-CG 3.28Å; V187-L190 PolarHBondContact O-N 3.36Å; V187-L190 VanDerWaalsContact O-N 3.12Å; D188-L190 PolarHBondContact O-N 2.78Å; L190-T192 PolarHBondContact O-N 2.81Å; L190-L193 WeakPolarHBondContact O-CB 3.44Å; L190-L193 PolarHBondContact O-N 3.42Å; L190-F202 HydrophobicContact CB-CE2 4.44Å; L190-F202 WeakPolarHBondContact O-CD2 3.32Å; L190-F202 WeakPolarHBondContact O-CE2 3.15Å; L190-A205 HydrophobicContact CD2-CB 3.64Å; L190-V206 HydrophobicContact CD1-CG2 4.35Å; L190-V206 HydrophobicContact CD2-CG2 3.89Å; L190-V209 HydrophobicContact CD1-CG2 4.3Å; L190-V209 HydrophobicContact CD2-CG2 4.35Å; L190-A237 HydrophobicContact CB-CB 4.07Å; L190-A237 HydrophobicContact CD1-CB 3.95Å
191D98.1Very high97.6Very high0 Ų015.6 Ų15.60%010%0.103CC..Hα-helixtrans-66.8-25.4-177.378.9-38.7000112.3A189 A194 V195 S236 I240 K556 H582 I583A189-D191 PolarHBondContact O-N 3.39Å; D191-A194 WeakPolarHBondContact O-CB 3.46Å; D191-A194 PolarHBondContact O-N 3.37Å; D191-V195 WeakPolarHBondContact O-CG2 3.48Å; D191-V195 PolarHBondContact O-N 3.34Å; D191-S236 VanDerWaalsContact CB-OG 3.31Å; D191-S236 WeakPolarHBondContact CB-OG 3.36Å; D191-I240 HydrophobicContact CB-CD1 3.77Å; D191-K556 WeakPolarHBondContact OD1-CE 3.33Å; D191-K556 IonicContact OD1-NZ 3.8Å; D191-K556 PolarHBondContact OD1-NZ 2.85Å; D191-K556 WeakPolarHBondContact OD2-CE 3.43Å; D191-K556 IonicContact OD2-NZ 3.49Å; D191-K556 PolarHBondContact OD2-NZ 3.1Å; D191-H582 IonicContact OD1-ND1 3.28Å; D191-H582 PolarHBondContact OD1-ND1 2.88Å; D191-H582 WeakPolarHBondContact OD2-CA 3.31Å; D191-I583 PolarHBondContact OD2-N 3.27Å
192T98.6Very high97.7Very high0 Ų014 Ų140%09%0.094CC..Hα-helixtrans-65.8-38.8175.1-48.70000112.2F138 A189 L190 A194 V195 M196 S552 K556F138-T192 HydrophobicContact CD2-CG2 3.62Å; F138-T192 HydrophobicContact CE2-CG2 3.35Å; F138-T192 HydrophobicContact CG-CG2 4.42Å; F138-T192 HydrophobicContact CZ-CG2 4Å; A189-T192 WeakPolarHBondContact O-CB 3.46Å; A189-T192 PolarHBondContact O-N 2.57Å; L190-T192 PolarHBondContact O-N 2.81Å; T192-A194 PolarHBondContact O-N 3.03Å; T192-V195 PolarHBondContact O-N 3.45Å; T192-M196 HydrophobicContact CG2-CE 3.81Å; T192-M196 HydrophobicContact CG2-CG 4.47Å; T192-M196 WeakPolarHBondContact O-CG 3.49Å; T192-M196 PolarHBondContact O-N 2.93Å; T192-S552 WeakPolarHBondContact OG1-CA 3.06Å; T192-K556 HydrophobicContact CG2-CB 4.04Å; T192-K556 HydrophobicContact CG2-CG 4.49Å; T192-K556 WeakPolarHBondContact OG1-CE 3.43Å
193L98.6Very high97.8Very high2 Ų216.1 Ų16.11%0.0110%0.104CC..Hα-helixtrans-58.9-39.5173.5-67.3165.8000111.2F138 Y142 A189 L190 G197 N198 E201 F202 A205F138-L193 HydrophobicContact CE1-CD2 3.66Å; F138-L193 HydrophobicContact CE1-CG 4.39Å; F138-L193 HydrophobicContact CZ-CD2 3.92Å; F138-L193 HydrophobicContact CZ-CG 4.17Å; Y142-L193 HydrophobicContact CE1-CD2 4.27Å; Y142-L193 HydrophobicContact CE2-CD1 4.12Å; Y142-L193 HydrophobicContact CE2-CD2 4.43Å; A189-L193 PolarHBondContact O-N 3.13Å; L190-L193 WeakPolarHBondContact O-CB 3.44Å; L190-L193 PolarHBondContact O-N 3.42Å; L193-G197 PolarHBondContact O-N 2.95Å; L193-N198 PolarHBondContact O-N 2.82Å; L193-E201 HydrophobicContact CD1-CG 4.32Å; L193-E201 HydrophobicContact CD2-CB 4.26Å; L193-E201 HydrophobicContact CD2-CG 3.88Å; L193-F202 HydrophobicContact CB-CB 4.01Å; L193-F202 HydrophobicContact CB-CD2 4.27Å; L193-A205 HydrophobicContact CD1-CB 3.61Å
194A97.4Very high97.8Very high0 Ų021 Ų210%013%0.125CC..Hα-helixtrans-70.1-44.6175.900000112.3D191 T192 M196 G197 F202 I240 M251D191-A194 WeakPolarHBondContact O-CB 3.46Å; D191-A194 PolarHBondContact O-N 3.37Å; T192-A194 PolarHBondContact O-N 3.03Å; A194-M196 VanDerWaalsContact C-N 3.26Å; A194-M196 PolarHBondContact O-N 2.64Å; A194-G197 WeakPolarHBondContact O-CA 3.43Å; A194-G197 PolarHBondContact O-N 2.85Å; A194-F202 HydrophobicContact CB-CD2 3.99Å; A194-F202 HydrophobicContact CB-CE2 4.16Å; A194-F202 HydrophobicContact CB-CG 4.37Å; A194-I240 HydrophobicContact CB-CD1 4.09Å; A194-I240 HydrophobicContact CB-CG2 3.9Å; A194-M251 HydrophobicContact CB-CE 4.01Å; A194-M251 HydrophobicContact CB-CG 4.25Å; A194-M251 HydrophobicContact CB-SD 3.85Å
195V96.9Very high97.8Very high2 Ų221 Ų211%0.01213%0.125CC..Hα-helixtrans-56.6-38.4176.3167.50000112.8D191 T192 G197 F248 K556 Y559 L560 N566 I583D191-V195 WeakPolarHBondContact O-CG2 3.48Å; D191-V195 PolarHBondContact O-N 3.34Å; T192-V195 PolarHBondContact O-N 3.45Å; V195-G197 PolarHBondContact O-N 3.48Å; V195-F248 HydrophobicContact CG2-CE1 4.37Å; V195-K556 HydrophobicContact CG1-CG 4.3Å; V195-Y559 HydrophobicContact CG1-CD1 4.15Å; V195-Y559 HydrophobicContact CG1-CE1 4.48Å; V195-L560 HydrophobicContact CG1-CD1 4.25Å; V195-L560 HydrophobicContact CG1-CD2 3.62Å; V195-L560 HydrophobicContact CG1-CG 3.85Å; V195-N566 PolarHBondContact O-ND2 2.93Å; V195-I583 HydrophobicContact CG2-CD1 3.25Å; V195-I583 HydrophobicContact CG2-CG1 4.45Å
196M97.4Very high97.8Very high18 Ų1821 Ų219%0.08913%0.125CC..THydrogen-bonded Turntrans-81.81.2177.1-61.9-161-175.100113.8R135 F138 T192 A194 C555 Y559R135-M196 HydrophobicContact CB-SD 4.4Å; R135-M196 HydrophobicContact CG-SD 3.91Å; F138-M196 HydrophobicContact CB-CE 3.5Å; F138-M196 VanDerWaalsContact CB-CE 3.5Å; F138-M196 HydrophobicContact CB-SD 3.82Å; F138-M196 HydrophobicContact CD1-CE 4.31Å; F138-M196 HydrophobicContact CD1-SD 3.84Å; F138-M196 HydrophobicContact CD2-CE 4.02Å; F138-M196 HydrophobicContact CG-CE 3.67Å; F138-M196 HydrophobicContact CG-SD 3.82Å; T192-M196 HydrophobicContact CG2-CE 3.81Å; T192-M196 HydrophobicContact CG2-CG 4.47Å; T192-M196 WeakPolarHBondContact O-CG 3.49Å; T192-M196 PolarHBondContact O-N 2.93Å; A194-M196 VanDerWaalsContact C-N 3.26Å; A194-M196 PolarHBondContact O-N 2.64Å; M196-C555 HydrophobicContact CE-CB 4.44Å; M196-Y559 HydrophobicContact CB-CE1 4.49Å; M196-Y559 HydrophobicContact CE-CD2 4.3Å; M196-Y559 HydrophobicContact CE-CG 3.94Å; M196-Y559 HydrophobicContact CG-CD1 3.93Å; M196-Y559 HydrophobicContact CG-CD2 4.22Å; M196-Y559 HydrophobicContact CG-CE1 4.14Å; M196-Y559 HydrophobicContact CG-CE2 4.41Å; M196-Y559 HydrophobicContact CG-CG 4Å; M196-Y559 HydrophobicContact SD-CD2 4.23Å; M196-Y559 HydrophobicContact SD-CG 4.29Å
197G94.6Very high97.8Very high46 Ų4625.1 Ų25.147%0.47414%0.143SC..THydrogen-bonded Turntrans76.519.6176.600000115L193 A194 V195 S199L193-G197 PolarHBondContact O-N 2.95Å; A194-G197 WeakPolarHBondContact O-CA 3.43Å; A194-G197 PolarHBondContact O-N 2.85Å; V195-G197 PolarHBondContact O-N 3.48Å; G197-S199 PolarHBondContact O-N 2.73Å
198N93.8Very high97.8Very high66 Ų6627.3 Ų27.335%0.35315%0.154SC..  trans-91.466.1-177-167.7-5.5000111.9L193 S200 E201 F202L193-N198 PolarHBondContact O-N 2.82Å; N198-S200 VanDerWaalsContact C-N 3.3Å; N198-S200 PolarHBondContact O-N 3.34Å; N198-E201 VanDerWaalsContact CG-CB 3.48Å; N198-E201 VanDerWaalsContact ND2-CB 3.3Å; N198-E201 WeakPolarHBondContact ND2-CB 3.26Å; N198-E201 PolarHBondContact O-N 3.42Å; N198-E201 WeakPolarHBondContact OD1-CB 3.3Å; N198-E201 PolarHBondContact OD1-N 3.02Å; N198-F202 WeakPolarHBondContact O-CB 3.33Å; N198-F202 PolarHBondContact O-N 3.49Å
199S96.9Very high97.8Very high25 Ų2527.2 Ų27.218%0.17515%0.154CC..Hα-helixtrans-49.3-45.3-179.1-70.40000114.1G197 F202 Q203 D250 M251G197-S199 PolarHBondContact O-N 2.73Å; S199-F202 PolarHBondContact O-N 2.99Å; S199-Q203 WeakPolarHBondContact O-CB 3.39Å; S199-Q203 VanDerWaalsContact O-CG 3.25Å; S199-Q203 WeakPolarHBondContact O-CG 3.29Å; S199-Q203 PolarHBondContact O-N 3.05Å; S199-D250 WeakPolarHBondContact CB-O 3.45Å; S199-D250 PolarHBondContact OG-O 3Å; S199-M251 VanDerWaalsContact OG-CE 3.28Å; S199-M251 WeakPolarHBondContact OG-CE 3.49Å
200S97.4Very high97.8Very high95 Ų9529.3 Ų29.366%0.66416%0.164SC*.Hα-helixtrans-67.3-40.8-176-570000112.6N198 K204N198-S200 VanDerWaalsContact C-N 3.3Å; N198-S200 PolarHBondContact O-N 3.34Å; S200-K204 WeakPolarHBondContact O-CB 3.39Å; S200-K204 PolarHBondContact O-N 3.34Å
201E98.1Very high97.8Very high31 Ų3135.6 Ų35.615%0.14520%0.198CC..Hα-helixtrans-75.8-36176.2-169.856.6-149.900111.6Y142 L193 N198 K204 A205Y142-E201 HydrophobicContact CE1-CG 3.79Å; Y142-E201 PolarHBondContact OH-OE1 2.88Å; Y142-E201 VanDerWaalsContact OH-OE1 3.07Å; L193-E201 HydrophobicContact CD1-CG 4.32Å; L193-E201 HydrophobicContact CD2-CB 4.26Å; L193-E201 HydrophobicContact CD2-CG 3.88Å; N198-E201 VanDerWaalsContact CG-CB 3.48Å; N198-E201 VanDerWaalsContact ND2-CB 3.3Å; N198-E201 WeakPolarHBondContact ND2-CB 3.26Å; N198-E201 PolarHBondContact O-N 3.42Å; N198-E201 WeakPolarHBondContact OD1-CB 3.3Å; N198-E201 PolarHBondContact OD1-N 3.02Å; E201-K204 PolarHBondContact O-N 2.93Å; E201-K204 IonicContact OE1-NZ 2.65Å; E201-K204 PolarHBondContact OE1-NZ 2.91Å; E201-K204 IonicContact OE2-NZ 2.68Å; E201-K204 PolarHBondContact OE2-NZ 3.19Å; E201-A205 VanDerWaalsContact O-CB 3.24Å; E201-A205 WeakPolarHBondContact O-CB 3.49Å; E201-A205 PolarHBondContact O-N 3.16Å
202F98.7Very high97.7Very high0 Ų038.7 Ų38.70%022%0.217CC..Hα-helixtrans-56.4-54.2172.9175.8-100.1000111.7L190 L193 A194 N198 S199 K204 A205 V206 A237 I240 I241 M251L190-F202 HydrophobicContact CB-CE2 4.44Å; L190-F202 WeakPolarHBondContact O-CD2 3.32Å; L190-F202 WeakPolarHBondContact O-CE2 3.15Å; L193-F202 HydrophobicContact CB-CB 4.01Å; L193-F202 HydrophobicContact CB-CD2 4.27Å; A194-F202 HydrophobicContact CB-CD2 3.99Å; A194-F202 HydrophobicContact CB-CE2 4.16Å; A194-F202 HydrophobicContact CB-CG 4.37Å; N198-F202 WeakPolarHBondContact O-CB 3.33Å; N198-F202 PolarHBondContact O-N 3.49Å; S199-F202 PolarHBondContact O-N 2.99Å; F202-K204 PolarHBondContact O-N 2.69Å; F202-A205 PolarHBondContact O-N 3.39Å; F202-V206 HydrophobicContact CD1-CG2 4.45Å; F202-V206 HydrophobicContact CD2-CG2 4.3Å; F202-V206 HydrophobicContact CE1-CG2 4.05Å; F202-V206 HydrophobicContact CE2-CG2 3.91Å; F202-V206 HydrophobicContact CZ-CG2 3.77Å; F202-V206 WeakPolarHBondContact O-CG2 3.44Å; F202-V206 PolarHBondContact O-N 3.47Å; F202-A237 HydrophobicContact CE2-CB 4.2Å; F202-A237 HydrophobicContact CZ-CB 4.21Å; F202-I240 HydrophobicContact CE1-CG2 4.26Å; F202-I240 HydrophobicContact CZ-CB 4.41Å; F202-I240 HydrophobicContact CZ-CG2 3.96Å; F202-I241 HydrophobicContact CE1-CD1 4.31Å; F202-I241 HydrophobicContact CE1-CG1 3.67Å; F202-I241 HydrophobicContact CZ-CD1 4.23Å; F202-I241 HydrophobicContact CZ-CG1 3.86Å; F202-M251 HydrophobicContact CB-SD 3.85Å; F202-M251 HydrophobicContact CD1-CB 3.89Å; F202-M251 HydrophobicContact CD1-CG 4.24Å; F202-M251 HydrophobicContact CD1-SD 3.54Å; F202-M251 VanDerWaalsContact CD1-SD 3.54Å; F202-M251 HydrophobicContact CE1-CB 3.78Å; F202-M251 HydrophobicContact CE1-CG 4.44Å; F202-M251 HydrophobicContact CE1-SD 4.27Å; F202-M251 HydrophobicContact CG-SD 3.75Å
203Q98.6Very high97.7Very high46 Ų4639.3 Ų39.322%0.21522%0.221CC..Hα-helixtrans-60.2-34.4178.5-68.2175.818.900112.2S199 K207 D250 T252 I253S199-Q203 WeakPolarHBondContact O-CB 3.39Å; S199-Q203 VanDerWaalsContact O-CG 3.25Å; S199-Q203 WeakPolarHBondContact O-CG 3.29Å; S199-Q203 PolarHBondContact O-N 3.05Å; Q203-K207 WeakPolarHBondContact O-CB 2.85Å; Q203-K207 WeakPolarHBondContact O-CD 3.32Å; Q203-K207 VanDerWaalsContact O-CG 3.24Å; Q203-K207 WeakPolarHBondContact O-CG 3.37Å; Q203-K207 PolarHBondContact O-N 3.42Å; Q203-D250 PolarHBondContact NE2-O 2.92Å; Q203-T252 VanDerWaalsContact CD-O 3.29Å; Q203-T252 WeakPolarHBondContact CG-O 3.37Å; Q203-T252 PolarHBondContact NE2-O 3.38Å; Q203-I253 HydrophobicContact CB-CG1 4.36Å; Q203-I253 HydrophobicContact CG-CG1 4.14Å
204K98.4Very high97.6Very high109 Ų10941.9 Ų41.947%0.47424%0.239SC..Hα-helixtrans-70.8-44.9175.5166.3168.5158.3-87.20112S200 E201 F202 K207 L208S200-K204 WeakPolarHBondContact O-CB 3.39Å; S200-K204 PolarHBondContact O-N 3.34Å; E201-K204 PolarHBondContact O-N 2.93Å; E201-K204 IonicContact OE1-NZ 2.65Å; E201-K204 PolarHBondContact OE1-NZ 2.91Å; E201-K204 IonicContact OE2-NZ 2.68Å; E201-K204 PolarHBondContact OE2-NZ 3.19Å; F202-K204 PolarHBondContact O-N 2.69Å; K204-K207 PolarHBondContact O-N 3.09Å; K204-L208 WeakPolarHBondContact O-CB 3.42Å; K204-L208 PolarHBondContact O-N 3.11Å
205A98.6Very high97.7Very high0 Ų042 Ų420%024%0.239CC..Hα-helixtrans-63.9-45.8179.200000111.4L186 L190 L193 E201 F202 K207 L208 V209L186-A205 HydrophobicContact CD1-CB 3.86Å; L190-A205 HydrophobicContact CD2-CB 3.64Å; L193-A205 HydrophobicContact CD1-CB 3.61Å; E201-A205 VanDerWaalsContact O-CB 3.24Å; E201-A205 WeakPolarHBondContact O-CB 3.49Å; E201-A205 PolarHBondContact O-N 3.16Å; F202-A205 PolarHBondContact O-N 3.39Å; A205-K207 PolarHBondContact O-N 3.35Å; A205-L208 WeakPolarHBondContact O-CB 3.4Å; A205-L208 PolarHBondContact O-N 3.49Å; A205-L208 VanDerWaalsContact O-N 3.12Å; A205-V209 WeakPolarHBondContact O-CG2 3.21Å; A205-V209 PolarHBondContact O-N 3.05Å
206V98.8Very high97.7Very high0 Ų045.5 Ų45.50%026%0.258CS..Hα-helixtrans-61-46.7175.1172.40000111.4L190 F202 L208 V209 I210 I241 I253 L260L190-V206 HydrophobicContact CD1-CG2 4.35Å; L190-V206 HydrophobicContact CD2-CG2 3.89Å; F202-V206 HydrophobicContact CD1-CG2 4.45Å; F202-V206 HydrophobicContact CD2-CG2 4.3Å; F202-V206 HydrophobicContact CE1-CG2 4.05Å; F202-V206 HydrophobicContact CE2-CG2 3.91Å; F202-V206 HydrophobicContact CZ-CG2 3.77Å; F202-V206 WeakPolarHBondContact O-CG2 3.44Å; F202-V206 PolarHBondContact O-N 3.47Å; V206-L208 PolarHBondContact O-N 3.39Å; V206-V209 PolarHBondContact O-N 2.93Å; V206-I210 HydrophobicContact CG1-CD1 3.73Å; V206-I210 HydrophobicContact CG1-CG1 4.35Å; V206-I210 WeakPolarHBondContact O-CG1 3.29Å; V206-I210 PolarHBondContact O-N 3.24Å; V206-I241 HydrophobicContact CG1-CD1 3.95Å; V206-I241 HydrophobicContact CG2-CD1 4.24Å; V206-I253 HydrophobicContact CB-CD1 3.48Å; V206-I253 VanDerWaalsContact CB-CD1 3.48Å; V206-I253 HydrophobicContact CG1-CD1 3.21Å; V206-I253 HydrophobicContact CG2-CD1 4.14Å; V206-L260 HydrophobicContact CG1-CD1 3.8Å; V206-L260 HydrophobicContact CG1-CD2 4.13Å; V206-L260 HydrophobicContact CG1-CG 4.1Å; V206-L260 HydrophobicContact CG2-CD1 4.34Å
207K98.5Very high97.6Very high87 Ų8747 Ų4738%0.37826%0.264SS..Hα-helixtrans-59.7-36.4174.5-75.9172.1-174.8173.80112Q203 K204 A205 N211 I253Q203-K207 WeakPolarHBondContact O-CB 2.85Å; Q203-K207 WeakPolarHBondContact O-CD 3.32Å; Q203-K207 VanDerWaalsContact O-CG 3.24Å; Q203-K207 WeakPolarHBondContact O-CG 3.37Å; Q203-K207 PolarHBondContact O-N 3.42Å; K204-K207 PolarHBondContact O-N 3.09Å; A205-K207 PolarHBondContact O-N 3.35Å; K207-N211 WeakPolarHBondContact O-CB 3.45Å; K207-N211 PolarHBondContact O-N 2.61Å; K207-N211 VanDerWaalsContact O-N 3.13Å; K207-N211 PolarHBondContact O-ND2 2.75Å; K207-I253 HydrophobicContact CG-CG2 4.45Å
208L98.4Very high97.6Very high45 Ų4551 Ų5124%0.23627%0.274CS..Hα-helixtrans-66.6-45.8176.2-171.861.6000110.7M146 F150 L186 K204 A205 V206 I210 N211 T212M146-L208 HydrophobicContact CE-CD2 3.49Å; M146-L208 VanDerWaalsContact CE-CD2 3.49Å; F150-L208 HydrophobicContact CD2-CD2 4.29Å; F150-L208 HydrophobicContact CE1-CD1 4.2Å; F150-L208 HydrophobicContact CE1-CD2 4.04Å; F150-L208 HydrophobicContact CE1-CG 4.41Å; F150-L208 HydrophobicContact CE2-CD2 3.75Å; F150-L208 HydrophobicContact CE2-CG 3.98Å; F150-L208 HydrophobicContact CZ-CD1 3.74Å; F150-L208 HydrophobicContact CZ-CD2 3.61Å; F150-L208 HydrophobicContact CZ-CG 3.66Å; L186-L208 HydrophobicContact CD2-CB 4.25Å; L186-L208 HydrophobicContact CD2-CD2 3.8Å; L186-L208 HydrophobicContact CD2-CG 3.93Å; K204-L208 WeakPolarHBondContact O-CB 3.42Å; K204-L208 PolarHBondContact O-N 3.11Å; A205-L208 WeakPolarHBondContact O-CB 3.4Å; A205-L208 PolarHBondContact O-N 3.49Å; A205-L208 VanDerWaalsContact O-N 3.12Å; V206-L208 PolarHBondContact O-N 3.39Å; L208-I210 PolarHBondContact O-N 2.87Å; L208-N211 PolarHBondContact O-N 2.83Å; L208-T212 HydrophobicContact CD1-CG2 3.85Å; L208-T212 PolarHBondContact O-N 3.06Å; L208-T212 PolarHBondContact O-OG1 2.96Å
209V98.8Very high97.6Very high0 Ų048.5 Ų48.50%026%0.262CS..Hα-helixtrans-54.8-53.3174169.20000111.5L186 V187 L190 A205 V206 N211 T212 V213 L234 L260 M263L186-V209 HydrophobicContact CD2-CG2 3.7Å; L186-V209 HydrophobicContact CG-CG2 3.72Å; V187-V209 HydrophobicContact CG2-CG1 4.25Å; V187-V209 HydrophobicContact CG2-CG2 3.97Å; L190-V209 HydrophobicContact CD1-CG2 4.3Å; L190-V209 HydrophobicContact CD2-CG2 4.35Å; A205-V209 WeakPolarHBondContact O-CG2 3.21Å; A205-V209 PolarHBondContact O-N 3.05Å; V206-V209 PolarHBondContact O-N 2.93Å; V209-N211 PolarHBondContact O-N 3.41Å; V209-T212 PolarHBondContact O-N 3.37Å; V209-V213 HydrophobicContact CB-CG2 4.41Å; V209-V213 HydrophobicContact CG1-CB 4.25Å; V209-V213 HydrophobicContact CG1-CG2 4.15Å; V209-V213 HydrophobicContact CG2-CG2 4.44Å; V209-V213 WeakPolarHBondContact O-CB 3.31Å; V209-V213 PolarHBondContact O-N 2.85Å; V209-L234 HydrophobicContact CG1-CD2 4.23Å; V209-L260 HydrophobicContact CG1-CD2 4.09Å; V209-M263 HydrophobicContact CG1-CE 3.75Å; V209-M263 HydrophobicContact CG1-SD 4.36Å
210I98.6Very high97.6Very high44 Ų4449.6 Ų49.623%0.22627%0.268CS..Hα-helixtrans-56.1-38.3178.7-66.6165.6000112V206 L208 Y256 E259 L260 M263V206-I210 HydrophobicContact CG1-CD1 3.73Å; V206-I210 HydrophobicContact CG1-CG1 4.35Å; V206-I210 WeakPolarHBondContact O-CG1 3.29Å; V206-I210 PolarHBondContact O-N 3.24Å; L208-I210 PolarHBondContact O-N 2.87Å; I210-Y256 HydrophobicContact CD1-CD2 4.39Å; I210-Y256 HydrophobicContact CD1-CE2 4.26Å; I210-E259 HydrophobicContact CD1-CB 3.84Å; I210-E259 HydrophobicContact CD1-CG 4.35Å; I210-E259 HydrophobicContact CG1-CB 3.9Å; I210-E259 HydrophobicContact CG2-CB 4.08Å; I210-E259 HydrophobicContact CG2-CG 4.15Å; I210-L260 HydrophobicContact CD1-CD2 4.33Å; I210-L260 HydrophobicContact CG1-CD2 3.8Å; I210-M263 HydrophobicContact CG1-SD 4.32Å
211N97.9Very high97.5Very high132 Ų13245 Ų4571%0.70624%0.236SC*.Hα-helixtrans-87.2-18.5-175.9-75.3-63.8000114.8K207 L208 V209K207-N211 WeakPolarHBondContact O-CB 3.45Å; K207-N211 PolarHBondContact O-N 2.61Å; K207-N211 VanDerWaalsContact O-N 3.13Å; K207-N211 PolarHBondContact O-ND2 2.75Å; L208-N211 PolarHBondContact O-N 2.83Å; V209-N211 PolarHBondContact O-N 3.41Å
212T96.9Very high97.5Very high64 Ų6444.8 Ų44.839%0.39324%0.235SC..Hα-helixtrans-126.9-20.7-171.366.70000115.8F150 L208 V209F150-T212 HydrophobicContact CZ-CG2 4.39Å; L208-T212 HydrophobicContact CD1-CG2 3.85Å; L208-T212 PolarHBondContact O-N 3.06Å; L208-T212 PolarHBondContact O-OG1 2.96Å; V209-T212 PolarHBondContact O-N 3.37Å
213V98.1Very high97.5Very high14 Ų1444.9 Ų44.99%0.08524%0.235CC..  trans-89.8141.2-179.2178.40000110.3Y182 V187 V209 F215 M263Y182-V213 WeakPolarHBondContact O-CG2 3.36Å; V187-V213 HydrophobicContact CG2-CG2 4.27Å; V209-V213 HydrophobicContact CB-CG2 4.41Å; V209-V213 HydrophobicContact CG1-CB 4.25Å; V209-V213 HydrophobicContact CG1-CG2 4.15Å; V209-V213 HydrophobicContact CG2-CG2 4.44Å; V209-V213 WeakPolarHBondContact O-CB 3.31Å; V209-V213 PolarHBondContact O-N 2.85Å; V213-F215 HydrophobicContact CG1-CE1 3.79Å; V213-F215 HydrophobicContact CG1-CZ 3.85Å; V213-M263 HydrophobicContact CB-CE 3.82Å; V213-M263 HydrophobicContact CG1-CE 3.97Å
214S97.5Very high97.5Very high56 Ų5643.9 Ų43.939%0.39223%0.23SC..  trans-153.2140.1178170.80000108.6D216 K217S214-D216 PolarHBondContact OG-N 2.71Å; S214-K217 WeakPolarHBondContact O-CE 3.39Å; S214-K217 WeakPolarHBondContact O-CG 3.3Å
215F98.4Very high97.5Very high2 Ų240 Ų401%0.00921%0.214CC..SBendtrans-98.21.5178.6-49.7-61.6000113.4Y182 V213 K217 V230 L234 M263 L267 R270 L289Y182-F215 HydrophobicContact CD1-CD1 4.32Å; Y182-F215 HydrophobicContact CD1-CE1 4.39Å; Y182-F215 HydrophobicContact CG-CE1 4.24Å; V213-F215 HydrophobicContact CG1-CE1 3.79Å; V213-F215 HydrophobicContact CG1-CZ 3.85Å; F215-K217 PolarHBondContact O-N 2.99Å; F215-V230 HydrophobicContact CE1-CG1 3.74Å; F215-V230 HydrophobicContact CZ-CG1 3.75Å; F215-L234 HydrophobicContact CE2-CD1 4.12Å; F215-L234 HydrophobicContact CZ-CD1 3.96Å; F215-M263 HydrophobicContact CE2-CB 4.13Å; F215-M263 HydrophobicContact CE2-CE 4.45Å; F215-M263 WeakPolarHBondContact CE2-O 3.18Å; F215-L267 HydrophobicContact CB-CD1 4.47Å; F215-L267 HydrophobicContact CD1-CD1 4.09Å; F215-L267 HydrophobicContact CD2-CB 3.73Å; F215-L267 HydrophobicContact CE1-CD2 4.46Å; F215-L267 HydrophobicContact CE2-CB 3.87Å; F215-L267 HydrophobicContact CG-CB 4.14Å; F215-L267 HydrophobicContact CG-CD1 4.11Å; F215-L267 HydrophobicContact CZ-CB 4.41Å; F215-L267 HydrophobicContact CZ-CD2 4.4Å; F215-R270 WeakPolarHBondContact O-CD 3.44Å; F215-R270 PolarHBondContact O-NE 2.79Å; F215-R270 PolarHBondContact O-NH1 2.8Å; F215-L289 VanDerWaalsContact O-CB 3.32Å; F215-L289 WeakPolarHBondContact O-CB 3.06Å
216D97.6Very high97.5Very high75 Ų7540 Ų4040%0.40121%0.214SC..  trans-74.772.1165.4-173.541000110.9S214 R270 K290S214-D216 PolarHBondContact OG-N 2.71Å; D216-R270 IonicContact OD1-NH1 3.9Å; D216-K290 WeakPolarHBondContact OD1-CG 3.36Å; D216-K290 IonicContact OD1-NZ 2.67Å; D216-K290 PolarHBondContact OD1-NZ 2.81Å; D216-K290 IonicContact OD2-NZ 3.92Å; D216-K290 PolarHBondContact OD2-NZ 2.85Å
217K94.9Very high97.5Very high51 Ų5140 Ų4022%0.22221%0.214CC..  trans-123133.6-177.9-56.4-69179162.40109.3N181 S214 F215 S219 K290N181-K217 WeakPolarHBondContact O-CE 3.4Å; N181-K217 PolarHBondContact O-NZ 2.78Å; S214-K217 WeakPolarHBondContact O-CE 3.39Å; S214-K217 WeakPolarHBondContact O-CG 3.3Å; F215-K217 PolarHBondContact O-N 2.99Å; K217-S219 PolarHBondContact O-N 3.31Å; K217-K290 WeakPolarHBondContact O-CB 3.21Å; K217-K290 PolarHBondContact O-N 3.44Å
218D94.9Very high97.5Very high129 Ų12936 Ų3669%0.6920%0.197SC*.SBendtrans-75.980162.6-17216.9000108.5N288D218-N288 PolarHBondContact OD1-ND2 3Å
219S94.8Very high97.5Very high14 Ų1434.6 Ų34.610%0.09819%0.188CC..  trans-147.6128.5179.4-1570000108.8K217 N288 L289K217-S219 PolarHBondContact O-N 3.31Å; S219-N288 WeakPolarHBondContact O-CA 3.35Å; S219-L289 PolarHBondContact O-N 2.97Å
220T95.5Very high97.5Very high47 Ų4734.6 Ų34.629%0.28819%0.188SC..EExtended strand (participates in β ladder)trans-87.8125.8172.7-57.90000108.9N176 R286 V287 P294N176-T220 VanDerWaalsContact O-O 3.06Å; T220-R286 HydrophobicContact CG2-CB 4.01Å; T220-V287 WeakPolarHBondContact CA-O 3.44Å; T220-P294 HydrophobicContact CG2-CG 3.96Å
221V96.6Very high97.5Very high0 Ų032.5 Ų32.50%018%0.177CC..EExtended strand (participates in β ladder)trans-125.9161.3179.7-59.50000110.4Y182 A226 R286 V287 L289Y182-V221 HydrophobicContact CE1-CG1 4.26Å; V221-A226 HydrophobicContact CG2-CB 4.01Å; V221-R286 VanDerWaalsContact O-CA 3.26Å; V221-R286 WeakPolarHBondContact O-CA 3.41Å; V221-V287 HydrophobicContact CG2-CG1 4.47Å; V221-V287 PolarHBondContact N-O 2.92Å; V221-V287 PolarHBondContact O-N 3.09Å; V221-L289 HydrophobicContact CG1-CD1 4.24Å; V221-L289 HydrophobicContact CG2-CD1 4.38Å; V221-L289 HydrophobicContact CG2-CD2 3.79Å; V221-L289 HydrophobicContact CG2-CG 4Å
222Q97.3Very high97.5Very high25 Ų2526.3 Ų26.312%0.11715%0.145CC..EExtended strand (participates in β ladder)trans-79.6132.8169.5-171.1178.8-15.800109.8D177 F224 E225 A226 P285D177-Q222 HydrophobicContact CB-CB 3.74Å; D177-Q222 PolarHBondContact O-N 3.25Å; D177-Q222 PolarHBondContact OD2-OE1 3.23Å; Q222-F224 VanDerWaalsContact C-N 3.28Å; Q222-F224 HydrophobicContact CG-CB 4.19Å; Q222-F224 PolarHBondContact O-N 3.37Å; Q222-E225 HydrophobicContact CB-CB 4.29Å; Q222-E225 HydrophobicContact CB-CG 3.97Å; Q222-E225 HydrophobicContact CG-CG 4.33Å; Q222-E225 PolarHBondContact O-N 3.34Å; Q222-A226 PolarHBondContact O-N 2.89Å; Q222-A226 VanDerWaalsContact O-N 3.09Å; Q222-P285 CarbonylContact C-O 3.56Å; Q222-P285 WeakPolarHBondContact CA-O 3.37Å; Q222-P285 VanDerWaalsContact CG-O 3.27Å; Q222-P285 WeakPolarHBondContact CG-O 3.11Å
223V98.1Very high97.6Very high2 Ų223.2 Ų23.21%0.01213%0.126CC..Hα-helixtrans-60.6-40.5-176.1177.50000111.1T227 L271 A274 P285 V287 L309V223-T227 VanDerWaalsContact O-CB 3.26Å; V223-T227 WeakPolarHBondContact O-CB 3.37Å; V223-T227 PolarHBondContact O-N 3.44Å; V223-T227 PolarHBondContact O-OG1 3.16Å; V223-L271 HydrophobicContact CG1-CB 4.44Å; V223-L271 HydrophobicContact CG1-CD1 4.45Å; V223-A274 HydrophobicContact CG2-CB 3.59Å; V223-P285 PolarHBondContact N-O 2.95Å; V223-V287 HydrophobicContact CG2-CB 4.36Å; V223-V287 HydrophobicContact CG2-CG1 3.99Å; V223-L309 HydrophobicContact CG1-CD1 4.04Å; V223-L309 HydrophobicContact CG1-CD2 4.3Å
224F98.4Very high97.7Very high26 Ų2622.6 Ų22.611%0.11412%0.122CC..Hα-helixtrans-57.8-59.5174.6175-117.5000112.5Q222 A226 T227 I228Q222-F224 VanDerWaalsContact C-N 3.28Å; Q222-F224 HydrophobicContact CG-CB 4.19Å; Q222-F224 PolarHBondContact O-N 3.37Å; F224-A226 PolarHBondContact O-N 2.94Å; F224-T227 WeakPolarHBondContact O-CA 3.37Å; F224-T227 WeakPolarHBondContact O-CB 3.31Å; F224-T227 PolarHBondContact O-N 3.03Å; F224-I228 HydrophobicContact CD1-CD1 4.05Å; F224-I228 HydrophobicContact CD2-CD1 4.19Å; F224-I228 HydrophobicContact CD2-CG2 3.93Å; F224-I228 HydrophobicContact CE1-CD1 3.59Å; F224-I228 HydrophobicContact CE2-CD1 3.73Å; F224-I228 HydrophobicContact CE2-CG2 3.75Å; F224-I228 HydrophobicContact CG-CD1 4.33Å; F224-I228 HydrophobicContact CZ-CD1 3.42Å; F224-I228 VanDerWaalsContact CZ-CD1 3.42Å; F224-I228 HydrophobicContact CZ-CG2 4.47Å; F224-I228 PolarHBondContact O-N 2.96Å
225E98.5Very high97.7Very high28 Ų2820 Ų2013%0.13110%0.104CC..Hα-helixtrans-59.8-43.4-176.4-59.9-64.9157.600112.1V178 Q222 T227 R229V178-E225 HydrophobicContact CG2-CB 4.24Å; V178-E225 HydrophobicContact CG2-CG 3.82Å; Q222-E225 HydrophobicContact CB-CB 4.29Å; Q222-E225 HydrophobicContact CB-CG 3.97Å; Q222-E225 HydrophobicContact CG-CG 4.33Å; Q222-E225 PolarHBondContact O-N 3.34Å; E225-T227 VanDerWaalsContact C-N 3.29Å; E225-T227 PolarHBondContact O-N 2.93Å; E225-R229 VanDerWaalsContact O-CB 3.29Å; E225-R229 WeakPolarHBondContact O-CB 3.37Å; E225-R229 VanDerWaalsContact O-CG 3.25Å; E225-R229 WeakPolarHBondContact O-CG 3.35Å; E225-R229 PolarHBondContact O-N 3.31Å; E225-R229 VanDerWaalsContact O-N 3.16Å; E225-R229 IonicContact OE2-CZ 3.68Å; E225-R229 VanDerWaalsContact OE2-CZ 3.28Å; E225-R229 IonicContact OE2-NE 3.46Å; E225-R229 PolarHBondContact OE2-NE 3Å; E225-R229 IonicContact OE2-NH2 3.78Å; E225-R229 PolarHBondContact OE2-NH2 3.37Å
226A98.5Very high97.7Very high0 Ų019.9 Ų19.90%010%0.103CC..Iπ-helixtrans-65.8-31.3175.500000112.8V221 Q222 F224 V230 L231 L271V221-A226 HydrophobicContact CG2-CB 4.01Å; Q222-A226 PolarHBondContact O-N 2.89Å; Q222-A226 VanDerWaalsContact O-N 3.09Å; F224-A226 PolarHBondContact O-N 2.94Å; A226-V230 WeakPolarHBondContact O-CB 3.18Å; A226-V230 PolarHBondContact O-N 2.74Å; A226-L231 PolarHBondContact O-N 2.77Å; A226-L231 VanDerWaalsContact O-N 3.12Å; A226-L271 HydrophobicContact CB-CD1 4.43Å; A226-L271 HydrophobicContact CB-CD2 4.27Å
227T98.9Very high97.8Very high0 Ų016.3 Ų16.30%08%0.084CC..Iπ-helixtrans-72.7-57.3177.8-62.40000110.9V223 F224 E225 R229 L231 G232 L271 L309 E312 F313V223-T227 VanDerWaalsContact O-CB 3.26Å; V223-T227 WeakPolarHBondContact O-CB 3.37Å; V223-T227 PolarHBondContact O-N 3.44Å; V223-T227 PolarHBondContact O-OG1 3.16Å; F224-T227 WeakPolarHBondContact O-CA 3.37Å; F224-T227 WeakPolarHBondContact O-CB 3.31Å; F224-T227 PolarHBondContact O-N 3.03Å; E225-T227 VanDerWaalsContact C-N 3.29Å; E225-T227 PolarHBondContact O-N 2.93Å; T227-R229 PolarHBondContact O-N 3.02Å; T227-L231 HydrophobicContact CG2-CD2 4.36Å; T227-L231 WeakPolarHBondContact O-CB 3.24Å; T227-L231 PolarHBondContact O-N 3.25Å; T227-G232 PolarHBondContact O-N 2.74Å; T227-L271 WeakPolarHBondContact OG1-CD1 3.3Å; T227-L309 HydrophobicContact CG2-CB 4.4Å; T227-L309 HydrophobicContact CG2-CD2 3.87Å; T227-E312 HydrophobicContact CG2-CB 3.79Å; T227-E312 HydrophobicContact CG2-CG 4.02Å; T227-F313 HydrophobicContact CG2-CD1 3.89Å; T227-F313 HydrophobicContact CG2-CE1 3.74Å
228I98.8Very high97.9Very high3 Ų314.3 Ų14.32%0.0158%0.076CC..Iπ-helixtrans-67.7-40-17268.8-169.6000111.8F224 T579 E580 H582F224-I228 HydrophobicContact CD1-CD1 4.05Å; F224-I228 HydrophobicContact CD2-CD1 4.19Å; F224-I228 HydrophobicContact CD2-CG2 3.93Å; F224-I228 HydrophobicContact CE1-CD1 3.59Å; F224-I228 HydrophobicContact CE2-CD1 3.73Å; F224-I228 HydrophobicContact CE2-CG2 3.75Å; F224-I228 HydrophobicContact CG-CD1 4.33Å; F224-I228 HydrophobicContact CZ-CD1 3.42Å; F224-I228 VanDerWaalsContact CZ-CD1 3.42Å; F224-I228 HydrophobicContact CZ-CG2 4.47Å; F224-I228 PolarHBondContact O-N 2.96Å; I228-T579 HydrophobicContact CB-CG2 4.05Å; I228-T579 HydrophobicContact CD1-CG2 4.35Å; I228-T579 HydrophobicContact CG2-CG2 3.72Å; I228-E580 HydrophobicContact CB-CB 4.12Å; I228-E580 WeakPolarHBondContact CD1-OE2 3.4Å; I228-E580 HydrophobicContact CG1-CB 4.28Å; I228-E580 HydrophobicContact CG1-CG 4.44Å; I228-E580 VanDerWaalsContact CG1-OE2 3.24Å; I228-E580 WeakPolarHBondContact CG1-OE2 3.45Å; I228-H582 PolarHBondContact O-CD2 3.47Å; I228-H582 PolarHBondContact O-NE2 2.91Å
229R98.8Very high98Very high14 Ų149.9 Ų9.95%0.0535%0.049CC..Iπ-helixtrans-82.4-55.6-177.7-55.3172.1-178.2-57.4-35113.5L184 D188 E225 T227 S233 S548 E580 H582L184-R229 HydrophobicContact CD1-CB 3.72Å; L184-R229 HydrophobicContact CD1-CG 4.28Å; D188-R229 IonicContact OD2-NH1 2.7Å; E225-R229 VanDerWaalsContact O-CB 3.29Å; E225-R229 WeakPolarHBondContact O-CB 3.37Å; E225-R229 VanDerWaalsContact O-CG 3.25Å; E225-R229 WeakPolarHBondContact O-CG 3.35Å; E225-R229 PolarHBondContact O-N 3.31Å; E225-R229 VanDerWaalsContact O-N 3.16Å; E225-R229 IonicContact OE2-CZ 3.68Å; E225-R229 VanDerWaalsContact OE2-CZ 3.28Å; E225-R229 IonicContact OE2-NE 3.46Å; E225-R229 PolarHBondContact OE2-NE 3Å; E225-R229 IonicContact OE2-NH2 3.78Å; E225-R229 PolarHBondContact OE2-NH2 3.37Å; T227-R229 PolarHBondContact O-N 3.02Å; R229-S233 WeakPolarHBondContact O-CB 3.28Å; R229-S233 PolarHBondContact O-N 3.49Å; R229-S548 PolarHBondContact NH1-OG 3.01Å; R229-S548 VanDerWaalsContact NH1-OG 3.12Å; R229-E580 HydrophobicContact CG-CG 4.01Å; R229-E580 IonicContact CZ-OE1 2.71Å; R229-E580 IonicContact CZ-OE2 3.79Å; R229-E580 IonicContact NE-OE1 2.74Å; R229-E580 IonicContact NH1-OE1 3.24Å; R229-E580 PolarHBondContact NH1-OE1 3.48Å; R229-E580 IonicContact NH2-OE1 3.4Å; R229-E580 PolarHBondContact NH2-OE1 3.2Å; R229-E580 IonicContact NH2-OE2 3.62Å; R229-E580 PolarHBondContact NH2-OE2 3.24Å; R229-H582 PolarHBondContact O-NE2 3.48Å; R229-H582 VanDerWaalsContact O-NE2 3.12Å
230V98.8Very high98.1Very high0 Ų09.7 Ų9.70%05%0.047CC..Iπ-helixtrans-88.7-53-167.6-170.10000110.3Y182 L184 V187 F215 A226 L234 L267Y182-V230 HydrophobicContact CD2-CG2 3.96Å; Y182-V230 HydrophobicContact CE1-CG2 4.24Å; Y182-V230 HydrophobicContact CE2-CG2 3.29Å; Y182-V230 VanDerWaalsContact CZ-CG2 3.45Å; L184-V230 HydrophobicContact CD1-CG2 4.16Å; V187-V230 HydrophobicContact CG1-CG1 4.1Å; F215-V230 HydrophobicContact CE1-CG1 3.74Å; F215-V230 HydrophobicContact CZ-CG1 3.75Å; A226-V230 WeakPolarHBondContact O-CB 3.18Å; A226-V230 PolarHBondContact O-N 2.74Å; V230-L234 HydrophobicContact CG1-CD1 4.13Å; V230-L234 WeakPolarHBondContact O-CB 3.44Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 3.42Å; V230-L267 HydrophobicContact CB-CD2 3.66Å; V230-L267 HydrophobicContact CG1-CD2 3.58Å
231L98.8Very high98.2Very high0 Ų08 Ų80%04%0.036CC..Iπ-helixtrans-65.1-43.7177.9-178.461.7000110.8A226 T227 L234 L235 A264 L267 A268 E312 F313 L316A226-L231 PolarHBondContact O-N 2.77Å; A226-L231 VanDerWaalsContact O-N 3.12Å; T227-L231 HydrophobicContact CG2-CD2 4.36Å; T227-L231 WeakPolarHBondContact O-CB 3.24Å; T227-L231 PolarHBondContact O-N 3.25Å; L231-L234 PolarHBondContact O-N 3.32Å; L231-L235 HydrophobicContact CD1-CD1 3.98Å; L231-L235 HydrophobicContact CD1-CG 4.12Å; L231-L235 HydrophobicContact CG-CD1 3.88Å; L231-L235 HydrophobicContact CG-CG 4.45Å; L231-L235 WeakPolarHBondContact O-CB 3.47Å; L231-L235 WeakPolarHBondContact O-CG 3.2Å; L231-L235 PolarHBondContact O-N 3.01Å; L231-A264 HydrophobicContact CD1-CB 3.45Å; L231-A264 VanDerWaalsContact CD1-CB 3.45Å; L231-A264 WeakPolarHBondContact CD1-O 3.43Å; L231-L267 HydrophobicContact CB-CD2 4.16Å; L231-A268 HydrophobicContact CD2-CB 4.22Å; L231-E312 HydrophobicContact CD2-CB 3.88Å; L231-E312 HydrophobicContact CG-CB 4.02Å; L231-F313 HydrophobicContact CD2-CD1 3.68Å; L231-F313 HydrophobicContact CD2-CE1 3.67Å; L231-L316 HydrophobicContact CD1-CD2 4.31Å
232G98.7Very high98.2Very high2 Ų210.4 Ų10.42%0.0215%0.051CC..Hα-helixtrans-54.9-51.2174.700000113.2T227 L235 S236 H582T227-G232 PolarHBondContact O-N 2.74Å; G232-L235 PolarHBondContact O-N 3.46Å; G232-S236 WeakPolarHBondContact O-CB 3.41Å; G232-S236 PolarHBondContact O-N 2.94Å; G232-H582 VanDerWaalsContact C-CD2 3.48Å
233S98.6Very high98Very high0 Ų010.4 Ų10.40%05%0.052CC..Hα-helixtrans-65.5-44.4178.2-1750000113.4V187 R229 L235 S236 A237 H582V187-S233 WeakPolarHBondContact O-CB 3.49Å; V187-S233 PolarHBondContact O-OG 3.43Å; R229-S233 WeakPolarHBondContact O-CB 3.28Å; R229-S233 PolarHBondContact O-N 3.49Å; S233-L235 VanDerWaalsContact C-N 3.29Å; S233-L235 PolarHBondContact O-N 2.89Å; S233-S236 PolarHBondContact O-N 2.82Å; S233-S236 VanDerWaalsContact O-N 3.16Å; S233-A237 WeakPolarHBondContact O-CB 3.47Å; S233-A237 PolarHBondContact O-N 3.32Å; S233-H582 PolarHBondContact N-CD2 3.27Å; S233-H582 VanDerWaalsContact N-CD2 3.29Å; S233-H582 PolarHBondContact N-NE2 3.44Å
234L98.9Very high97.7Very high0 Ų016 Ų160%09%0.091CC..Hα-helixtrans-58.1-43178.9-72.2172.2000111.6V187 V209 F215 V230 L231 H238 L260 M263 A264V187-L234 HydrophobicContact CG1-CD2 4.39Å; V187-L234 HydrophobicContact CG1-CG 4.31Å; V209-L234 HydrophobicContact CG1-CD2 4.23Å; F215-L234 HydrophobicContact CE2-CD1 4.12Å; F215-L234 HydrophobicContact CZ-CD1 3.96Å; V230-L234 HydrophobicContact CG1-CD1 4.13Å; V230-L234 WeakPolarHBondContact O-CB 3.44Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 3.42Å; L231-L234 PolarHBondContact O-N 3.32Å; L234-H238 WeakPolarHBondContact O-CB 3.34Å; L234-H238 PolarHBondContact O-N 3.3Å; L234-L260 HydrophobicContact CD2-CB 4.27Å; L234-L260 HydrophobicContact CD2-CD2 3.76Å; L234-L260 HydrophobicContact CD2-CG 4.48Å; L234-M263 HydrophobicContact CD1-CB 4.11Å; L234-M263 HydrophobicContact CD2-CB 4.4Å; L234-A264 HydrophobicContact CB-CB 4.11Å; L234-A264 HydrophobicContact CD1-CB 4.38Å
235L98.8Very high97.3Very high2 Ų221.7 Ų21.71%0.0112%0.116CC..Hα-helixtrans-66.3-44.8175.5-67.3171.3000111.6L231 G232 S233 H238 R239 L261 A264 E312 I315 L316 L319L231-L235 HydrophobicContact CD1-CD1 3.98Å; L231-L235 HydrophobicContact CD1-CG 4.12Å; L231-L235 HydrophobicContact CG-CD1 3.88Å; L231-L235 HydrophobicContact CG-CG 4.45Å; L231-L235 WeakPolarHBondContact O-CB 3.47Å; L231-L235 WeakPolarHBondContact O-CG 3.2Å; L231-L235 PolarHBondContact O-N 3.01Å; G232-L235 PolarHBondContact O-N 3.46Å; S233-L235 VanDerWaalsContact C-N 3.29Å; S233-L235 PolarHBondContact O-N 2.89Å; L235-H238 PolarHBondContact O-N 3.35Å; L235-R239 WeakPolarHBondContact O-CG 3.43Å; L235-R239 PolarHBondContact O-N 2.83Å; L235-L261 HydrophobicContact CD2-CD1 4.06Å; L235-A264 HydrophobicContact CD2-CB 4.04Å; L235-A264 HydrophobicContact CG-CB 4.33Å; L235-E312 HydrophobicContact CD1-CB 4.13Å; L235-E312 VanDerWaalsContact CD1-O 3.31Å; L235-E312 WeakPolarHBondContact CD1-O 3.31Å; L235-I315 HydrophobicContact CB-CG2 4.31Å; L235-I315 HydrophobicContact CD1-CB 4.2Å; L235-I315 HydrophobicContact CD1-CG2 4.11Å; L235-I315 HydrophobicContact CD2-CG2 4.28Å; L235-I315 HydrophobicContact CG-CG2 4.48Å; L235-L316 HydrophobicContact CD1-CB 4.25Å; L235-L316 HydrophobicContact CD2-CB 4.25Å; L235-L316 HydrophobicContact CD2-CD1 4.06Å; L235-L319 HydrophobicContact CD2-CD1 4.07Å
236S98.4Very high97.1Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-60-53177.5-179.90000112.2D191 G232 S233 H238 R239 I240 I583D191-S236 VanDerWaalsContact CB-OG 3.31Å; D191-S236 WeakPolarHBondContact CB-OG 3.36Å; G232-S236 WeakPolarHBondContact O-CB 3.41Å; G232-S236 PolarHBondContact O-N 2.94Å; S233-S236 PolarHBondContact O-N 2.82Å; S233-S236 VanDerWaalsContact O-N 3.16Å; S236-H238 VanDerWaalsContact C-N 3.33Å; S236-H238 PolarHBondContact O-N 3.35Å; S236-R239 PolarHBondContact O-N 2.51Å; S236-R239 VanDerWaalsContact O-N 3.15Å; S236-I240 WeakPolarHBondContact O-CG1 3.36Å; S236-I240 PolarHBondContact O-N 2.95Å; S236-I583 VanDerWaalsContact CB-O 3.3Å; S236-I583 WeakPolarHBondContact CB-O 3.3Å; S236-I583 PolarHBondContact OG-N 3.27Å; S236-I583 PolarHBondContact OG-O 2.99Å
237A98.6Very high96.8Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-60.9-40.6177.800000111.7L190 F202 S233 I240 I241 L260L190-A237 HydrophobicContact CB-CB 4.07Å; L190-A237 HydrophobicContact CD1-CB 3.95Å; F202-A237 HydrophobicContact CE2-CB 4.2Å; F202-A237 HydrophobicContact CZ-CB 4.21Å; S233-A237 WeakPolarHBondContact O-CB 3.47Å; S233-A237 PolarHBondContact O-N 3.32Å; A237-I240 PolarHBondContact O-N 3.01Å; A237-I241 WeakPolarHBondContact O-CD1 3.18Å; A237-I241 VanDerWaalsContact O-CG1 3.23Å; A237-I241 WeakPolarHBondContact O-CG1 3.29Å; A237-I241 PolarHBondContact O-N 2.93Å; A237-L260 HydrophobicContact CB-CD1 3.66Å
238H98.4Very high96.5Very high8 Ų824.6 Ų24.64%0.03713%0.132CC..Hα-helixtrans-60.2-44.4173.4172.948.5000112.7L234 L235 S236 I240 I241 T242 Y256 N258 L260L234-H238 WeakPolarHBondContact O-CB 3.34Å; L234-H238 PolarHBondContact O-N 3.3Å; L235-H238 PolarHBondContact O-N 3.35Å; S236-H238 VanDerWaalsContact C-N 3.33Å; S236-H238 PolarHBondContact O-N 3.35Å; H238-I240 VanDerWaalsContact C-N 3.33Å; H238-I240 PolarHBondContact O-N 2.95Å; H238-I241 PolarHBondContact O-N 3.5Å; H238-T242 WeakPolarHBondContact O-CB 3.2Å; H238-T242 WeakPolarHBondContact O-CG2 3.28Å; H238-T242 PolarHBondContact O-N 3.02Å; H238-T242 PolarHBondContact O-OG1 3.1Å; H238-Y256 AromaticContact ND1-CE1 3.71Å; H238-Y256 AromaticContact ND1-CZ 3.82Å; H238-Y256 PolarHBondContact ND1-OH 3.29Å; H238-Y256 VanDerWaalsContact ND1-OH 3.1Å; H238-N258 PolarHBondContact CE1-OD1 3.09Å; H238-L260 HydrophobicContact CB-CB 4.16Å
239R96.4Very high96.2Very high37 Ų3726.1 Ų26.114%0.1415%0.149CC..Hα-helixtrans-62.9-38.4175.1-69.9-59.3-58126.4-2.1112L235 S236 T242 D243 D587 H589L235-R239 WeakPolarHBondContact O-CG 3.43Å; L235-R239 PolarHBondContact O-N 2.83Å; S236-R239 PolarHBondContact O-N 2.51Å; S236-R239 VanDerWaalsContact O-N 3.15Å; R239-T242 PolarHBondContact NH1-OG1 2.84Å; R239-T242 VanDerWaalsContact NH1-OG1 3.15Å; R239-T242 PolarHBondContact O-N 3.12Å; R239-T242 PolarHBondContact O-OG1 2.93Å; R239-D243 WeakPolarHBondContact O-CB 3.35Å; R239-D243 PolarHBondContact O-N 3Å; R239-D587 IonicContact CZ-OD2 2.78Å; R239-D587 IonicContact NE-OD2 3.1Å; R239-D587 IonicContact NH2-OD2 2.88Å; R239-D587 PolarHBondContact NH2-OD2 3.29Å; R239-H589 PolarHBondContact NH2-NE2 3Å
240I96.5Very high96.1Very high10 Ų1029.7 Ų29.75%0.05117%0.169CC..Hα-helixtrans-65.2-43.7176.6-70.1164.4000111.8D191 A194 F202 S236 A237 H238 T242 Q246 F248 M251D191-I240 HydrophobicContact CB-CD1 3.77Å; A194-I240 HydrophobicContact CB-CD1 4.09Å; A194-I240 HydrophobicContact CB-CG2 3.9Å; F202-I240 HydrophobicContact CE1-CG2 4.26Å; F202-I240 HydrophobicContact CZ-CB 4.41Å; F202-I240 HydrophobicContact CZ-CG2 3.96Å; S236-I240 WeakPolarHBondContact O-CG1 3.36Å; S236-I240 PolarHBondContact O-N 2.95Å; A237-I240 PolarHBondContact O-N 3.01Å; H238-I240 VanDerWaalsContact C-N 3.33Å; H238-I240 PolarHBondContact O-N 2.95Å; I240-T242 VanDerWaalsContact C-N 3.3Å; I240-T242 PolarHBondContact O-N 3.36Å; I240-Q246 PolarHBondContact O-NE2 3.2Å; I240-F248 HydrophobicContact CG1-CE2 4.46Å; I240-F248 HydrophobicContact CG2-CD2 4.47Å; I240-M251 HydrophobicContact CG2-CB 3.71Å; I240-M251 HydrophobicContact CG2-CG 3.79Å
241I97.8Very high96Very high10 Ų1029.8 Ų29.85%0.05117%0.169CC..Hα-helixtrans-64.6-35.9177.3-65.5156.4000111.3F202 V206 A237 H238 Q246 I253 Y256 L260F202-I241 HydrophobicContact CE1-CD1 4.31Å; F202-I241 HydrophobicContact CE1-CG1 3.67Å; F202-I241 HydrophobicContact CZ-CD1 4.23Å; F202-I241 HydrophobicContact CZ-CG1 3.86Å; V206-I241 HydrophobicContact CG1-CD1 3.95Å; V206-I241 HydrophobicContact CG2-CD1 4.24Å; A237-I241 WeakPolarHBondContact O-CD1 3.18Å; A237-I241 VanDerWaalsContact O-CG1 3.23Å; A237-I241 WeakPolarHBondContact O-CG1 3.29Å; A237-I241 PolarHBondContact O-N 2.93Å; H238-I241 PolarHBondContact O-N 3.5Å; I241-Q246 PolarHBondContact O-NE2 2.62Å; I241-I253 HydrophobicContact CD1-CD1 3.84Å; I241-I253 HydrophobicContact CG1-CD1 4.18Å; I241-I253 HydrophobicContact CG1-CG1 4.5Å; I241-I253 HydrophobicContact CG2-CB 4.47Å; I241-Y256 HydrophobicContact CD1-CD2 4.42Å; I241-Y256 HydrophobicContact CD1-CE2 3.95Å; I241-Y256 HydrophobicContact CG2-CD1 3.73Å; I241-Y256 HydrophobicContact CG2-CD2 4.27Å; I241-Y256 HydrophobicContact CG2-CE1 3.99Å; I241-Y256 HydrophobicContact CG2-CE2 4.5Å; I241-Y256 HydrophobicContact CG2-CG 3.91Å; I241-L260 HydrophobicContact CD1-CD1 3.81Å
242T95.8Very high95.9Very high52 Ų5232.6 Ų32.632%0.31919%0.187SC..Hα-helixtrans-95.3-5.5-173.955.60000115.3H238 R239 I240 S244 Y256H238-T242 WeakPolarHBondContact O-CB 3.2Å; H238-T242 WeakPolarHBondContact O-CG2 3.28Å; H238-T242 PolarHBondContact O-N 3.02Å; H238-T242 PolarHBondContact O-OG1 3.1Å; R239-T242 PolarHBondContact NH1-OG1 2.84Å; R239-T242 VanDerWaalsContact NH1-OG1 3.15Å; R239-T242 PolarHBondContact O-N 3.12Å; R239-T242 PolarHBondContact O-OG1 2.93Å; I240-T242 VanDerWaalsContact C-N 3.3Å; I240-T242 PolarHBondContact O-N 3.36Å; T242-S244 PolarHBondContact O-N 3.18Å; T242-S244 VanDerWaalsContact O-N 3.14Å; T242-Y256 HydrophobicContact CG2-CE1 4.28Å
243D92.9Very high95.8Very high24 Ų2433.2 Ų33.213%0.12819%0.189CC..  trans-69.8107.1175.2-177.2-3.2000110.5R239 K245 Q246 P247R239-D243 WeakPolarHBondContact O-CB 3.35Å; R239-D243 PolarHBondContact O-N 3Å; D243-K245 PolarHBondContact O-N 2.72Å; D243-K245 VanDerWaalsContact OD1-CB 3.31Å; D243-K245 WeakPolarHBondContact OD1-CB 3.27Å; D243-K245 PolarHBondContact OD1-N 3.18Å; D243-Q246 WeakPolarHBondContact O-CG 3.49Å; D243-Q246 PolarHBondContact O-N 2.98Å; D243-Q246 PolarHBondContact O-NE2 3.12Å; D243-P247 VanDerWaalsContact OD2-CD 3.26Å; D243-P247 WeakPolarHBondContact OD2-CD 3.45Å; D243-P247 WeakPolarHBondContact OD2-CG 3.23Å
244S91.9Very high95.7Very high121 Ų12140.6 Ų40.685%0.84622%0.221SC*.THydrogen-bonded Turntrans-60.9-13.9-179.960.10000114.7T242T242-S244 PolarHBondContact O-N 3.18Å; T242-S244 VanDerWaalsContact O-N 3.14Å
245K91.4Very high95.5Very high144 Ų14446.6 Ų46.663%0.62625%0.254SS*.THydrogen-bonded Turntrans-81-18.4174.2-60.2169.6-174.7163.80113.2D243 P247D243-K245 PolarHBondContact O-N 2.72Å; D243-K245 VanDerWaalsContact OD1-CB 3.31Å; D243-K245 WeakPolarHBondContact OD1-CB 3.27Å; D243-K245 PolarHBondContact OD1-N 3.18Å; K245-P247 VanDerWaalsContact C-N 3.34Å
246Q93.3Very high95.4Very high36 Ų3648.2 Ų48.217%0.16826%0.26CS..  trans39.754.7-177.4-70.2-63.6-66.100113.7I240 I241 D243 F248 G249 T252I240-Q246 PolarHBondContact O-NE2 3.2Å; I241-Q246 PolarHBondContact O-NE2 2.62Å; D243-Q246 WeakPolarHBondContact O-CG 3.49Å; D243-Q246 PolarHBondContact O-N 2.98Å; D243-Q246 PolarHBondContact O-NE2 3.12Å; Q246-F248 PolarHBondContact O-N 3.45Å; Q246-G249 PolarHBondContact O-N 3.27Å; Q246-G249 PolarHBondContact OE1-O 3.26Å; Q246-T252 VanDerWaalsContact CD-CG2 3.49Å; Q246-T252 HydrophobicContact CG-CG2 3.85Å
247P92Very high95.4Very high36 Ų3653.1 Ų53.123%0.23429%0.286CS..THydrogen-bonded Turntrans-69.5-21.2-166.826.4-32.4000113.6D243 K245 G249 P567 T573 Y575D243-P247 VanDerWaalsContact OD2-CD 3.26Å; D243-P247 WeakPolarHBondContact OD2-CD 3.45Å; D243-P247 WeakPolarHBondContact OD2-CG 3.23Å; K245-P247 VanDerWaalsContact C-N 3.34Å; P247-G249 VanDerWaalsContact C-N 3.3Å; P247-P567 HydrophobicContact CB-CB 4.06Å; P247-P567 WeakPolarHBondContact O-CG 3.33Å; P247-T573 HydrophobicContact CB-CG2 4.41Å; P247-Y575 WeakPolarHBondContact CG-OH 3.41Å
248F93Very high95.4Very high18 Ų1855.5 Ų55.58%0.07930%0.298CS..THydrogen-bonded Turntrans-86.55.3175.6-61.9-71.5000113.9V195 I240 Q246 M251 P567 V568 Y575V195-F248 HydrophobicContact CG2-CE1 4.37Å; I240-F248 HydrophobicContact CG1-CE2 4.46Å; I240-F248 HydrophobicContact CG2-CD2 4.47Å; Q246-F248 PolarHBondContact O-N 3.45Å; F248-M251 HydrophobicContact CB-CE 3.85Å; F248-M251 HydrophobicContact CB-CG 4.12Å; F248-M251 WeakPolarHBondContact O-CE 3.33Å; F248-P567 HydrophobicContact CD1-CB 4.17Å; F248-P567 HydrophobicContact CD1-CG 3.93Å; F248-P567 HydrophobicContact CE1-CB 3.96Å; F248-P567 HydrophobicContact CE1-CG 4.15Å; F248-P567 HydrophobicContact CZ-CB 4.46Å; F248-V568 HydrophobicContact CE1-CG2 3.87Å; F248-V568 HydrophobicContact CZ-CG2 3.89Å; F248-Y575 HydrophobicContact CE2-CE1 4.3Å; F248-Y575 HydrophobicContact CE2-CE2 4.2Å; F248-Y575 AromaticContact CE2-CZ 3.75Å; F248-Y575 AromaticContact CZ-CE2 3.94Å; F248-Y575 HydrophobicContact CZ-CE2 3.94Å; F248-Y575 AromaticContact CZ-CZ 3.95Å
249G93.3Very high95.4Very high35 Ų3557.7 Ų57.736%0.36131%0.309SS..SBendtrans95.9-176.4-164.500000111.1Q246 P247 M251Q246-G249 PolarHBondContact O-N 3.27Å; Q246-G249 PolarHBondContact OE1-O 3.26Å; P247-G249 VanDerWaalsContact C-N 3.3Å; G249-M251 PolarHBondContact O-N 3.3Å
250D96Very high95.5Very high89 Ų8956 Ų5648%0.47630%0.302SS..  trans-71.891.5-178.8-176.614.2000111.2S199 Q203 T252S199-D250 WeakPolarHBondContact CB-O 3.45Å; S199-D250 PolarHBondContact OG-O 3Å; Q203-D250 PolarHBondContact NE2-O 2.92Å; D250-T252 WeakPolarHBondContact OD1-CB 3.49Å; D250-T252 WeakPolarHBondContact OD1-CG2 3.21Å; D250-T252 PolarHBondContact OD1-N 3.16Å; D250-T252 VanDerWaalsContact OD1-N 3.11Å; D250-T252 PolarHBondContact OD1-OG1 3.46Å
251M97.1Very high95.6Very high1 Ų156.1 Ų56.11%0.00530%0.303CS..  trans-94.54.2172.4-60.2-62.2164.100111.5A194 S199 F202 I240 F248 G249A194-M251 HydrophobicContact CB-CE 4.01Å; A194-M251 HydrophobicContact CB-CG 4.25Å; A194-M251 HydrophobicContact CB-SD 3.85Å; S199-M251 VanDerWaalsContact OG-CE 3.28Å; S199-M251 WeakPolarHBondContact OG-CE 3.49Å; F202-M251 HydrophobicContact CB-SD 3.85Å; F202-M251 HydrophobicContact CD1-CB 3.89Å; F202-M251 HydrophobicContact CD1-CG 4.24Å; F202-M251 HydrophobicContact CD1-SD 3.54Å; F202-M251 VanDerWaalsContact CD1-SD 3.54Å; F202-M251 HydrophobicContact CE1-CB 3.78Å; F202-M251 HydrophobicContact CE1-CG 4.44Å; F202-M251 HydrophobicContact CE1-SD 4.27Å; F202-M251 HydrophobicContact CG-SD 3.75Å; I240-M251 HydrophobicContact CG2-CB 3.71Å; I240-M251 HydrophobicContact CG2-CG 3.79Å; F248-M251 HydrophobicContact CB-CE 3.85Å; F248-M251 HydrophobicContact CB-CG 4.12Å; F248-M251 WeakPolarHBondContact O-CE 3.33Å; G249-M251 PolarHBondContact O-N 3.3Å
252T96.9Very high95.7Very high60 Ų6061.9 Ų61.937%0.36833%0.325SS..  trans-65.8149.718072.20000110.8Q203 Q246 D250Q203-T252 VanDerWaalsContact CD-O 3.29Å; Q203-T252 WeakPolarHBondContact CG-O 3.37Å; Q203-T252 PolarHBondContact NE2-O 3.38Å; Q246-T252 VanDerWaalsContact CD-CG2 3.49Å; Q246-T252 HydrophobicContact CG-CG2 3.85Å; D250-T252 WeakPolarHBondContact OD1-CB 3.49Å; D250-T252 WeakPolarHBondContact OD1-CG2 3.21Å; D250-T252 PolarHBondContact OD1-N 3.16Å; D250-T252 VanDerWaalsContact OD1-N 3.11Å; D250-T252 PolarHBondContact OD1-OG1 3.46Å
253I96.9Very high95.8Very high15 Ų1560.6 Ų60.68%0.07732%0.316CS..  trans-116.4121176.9-67.8177.2000107.9Q203 V206 K207 I241 D255 Y256Q203-I253 HydrophobicContact CB-CG1 4.36Å; Q203-I253 HydrophobicContact CG-CG1 4.14Å; V206-I253 HydrophobicContact CB-CD1 3.48Å; V206-I253 VanDerWaalsContact CB-CD1 3.48Å; V206-I253 HydrophobicContact CG1-CD1 3.21Å; V206-I253 HydrophobicContact CG2-CD1 4.14Å; K207-I253 HydrophobicContact CG-CG2 4.45Å; I241-I253 HydrophobicContact CD1-CD1 3.84Å; I241-I253 HydrophobicContact CG1-CD1 4.18Å; I241-I253 HydrophobicContact CG1-CG1 4.5Å; I241-I253 HydrophobicContact CG2-CB 4.47Å; I253-D255 PolarHBondContact O-N 3.12Å; I253-Y256 HydrophobicContact CB-CD2 4.28Å; I253-Y256 HydrophobicContact CB-CG 4.38Å; I253-Y256 HydrophobicContact CG2-CD2 4.36Å; I253-Y256 WeakPolarHBondContact O-CB 3.28Å; I253-Y256 PolarHBondContact O-N 3.23Å
254K94.6Very high96.1Very high155 Ų15559.4 Ų59.467%0.67431%0.31SS*.THydrogen-bonded Turntrans-56.9130.5176.3-164.6-156.9173.6-113.10109.8Y256K254-Y256 PolarHBondContact O-N 2.73Å
255D95.1Very high96.4Very high126 Ų12656.9 Ų56.967%0.67428%0.284SS*.THydrogen-bonded Turntrans6420178.8-40.9-46.9000114.4I253I253-D255 PolarHBondContact O-N 3.12Å
256Y98.1Very high96.8Very high36 Ų3652.6 Ų52.614%0.14127%0.268CS..  trans-66.9127.9174.5-177.1-94.1000111.9I210 H238 I241 T242 I253 K254 N258 E259 L260I210-Y256 HydrophobicContact CD1-CD2 4.39Å; I210-Y256 HydrophobicContact CD1-CE2 4.26Å; H238-Y256 AromaticContact ND1-CE1 3.71Å; H238-Y256 AromaticContact ND1-CZ 3.82Å; H238-Y256 PolarHBondContact ND1-OH 3.29Å; H238-Y256 VanDerWaalsContact ND1-OH 3.1Å; I241-Y256 HydrophobicContact CD1-CD2 4.42Å; I241-Y256 HydrophobicContact CD1-CE2 3.95Å; I241-Y256 HydrophobicContact CG2-CD1 3.73Å; I241-Y256 HydrophobicContact CG2-CD2 4.27Å; I241-Y256 HydrophobicContact CG2-CE1 3.99Å; I241-Y256 HydrophobicContact CG2-CE2 4.5Å; I241-Y256 HydrophobicContact CG2-CG 3.91Å; T242-Y256 HydrophobicContact CG2-CE1 4.28Å; I253-Y256 HydrophobicContact CB-CD2 4.28Å; I253-Y256 HydrophobicContact CB-CG 4.38Å; I253-Y256 HydrophobicContact CG2-CD2 4.36Å; I253-Y256 WeakPolarHBondContact O-CB 3.28Å; I253-Y256 PolarHBondContact O-N 3.23Å; K254-Y256 PolarHBondContact O-N 2.73Å; Y256-N258 VanDerWaalsContact CE1-CA 3.46Å; Y256-E259 WeakPolarHBondContact CD2-OE2 3.33Å; Y256-E259 HydrophobicContact CE2-CB 4.44Å; Y256-E259 VanDerWaalsContact CE2-OE2 3.32Å; Y256-E259 WeakPolarHBondContact CE2-OE2 3.22Å; Y256-L260 HydrophobicContact CE2-CG 4.19Å; Y256-L260 WeakPolarHBondContact OH-CB 3.24Å; Y256-L260 PolarHBondContact OH-N 2.97Å
257D97.3Very high97Very high102 Ų10250.9 Ų50.955%0.54526%0.26SS..  trans-129.656.2-179-16922.3000110.3E259 Y262D257-E259 VanDerWaalsContact C-N 3.28Å; D257-E259 PolarHBondContact N-OE2 3.36Å; D257-E259 PolarHBondContact O-N 3.04Å; D257-Y262 WeakPolarHBondContact O-CE2 3.38Å
258N98.3Very high97.4Very high50 Ų5049.2 Ų49.227%0.26725%0.249SC..SBendtrans63.523.8172.7-50.7-66.1000115.3H238 Y256 L260 L261 Y262H238-N258 PolarHBondContact CE1-OD1 3.09Å; Y256-N258 VanDerWaalsContact CE1-CA 3.46Å; N258-L260 VanDerWaalsContact C-N 3.31Å; N258-L260 PolarHBondContact O-N 3.22Å; N258-L261 HydrophobicContact CB-CB 4.28Å; N258-L261 WeakPolarHBondContact O-CA 3.34Å; N258-L261 WeakPolarHBondContact O-CB 3.5Å; N258-L261 PolarHBondContact O-N 3.02Å; N258-Y262 HydrophobicContact CB-CE2 4.18Å; N258-Y262 PolarHBondContact O-N 3.34Å
259E98.8Very high97.6Very high55 Ų5551.3 Ų51.326%0.25726%0.263SS..Hα-helixtrans-56.1-41.1-173.9-61.696.3132.700113I210 Y256 D257 L261 Y262 M263I210-E259 HydrophobicContact CD1-CB 3.84Å; I210-E259 HydrophobicContact CD1-CG 4.35Å; I210-E259 HydrophobicContact CG1-CB 3.9Å; I210-E259 HydrophobicContact CG2-CB 4.08Å; I210-E259 HydrophobicContact CG2-CG 4.15Å; Y256-E259 WeakPolarHBondContact CD2-OE2 3.33Å; Y256-E259 HydrophobicContact CE2-CB 4.44Å; Y256-E259 VanDerWaalsContact CE2-OE2 3.32Å; Y256-E259 WeakPolarHBondContact CE2-OE2 3.22Å; D257-E259 VanDerWaalsContact C-N 3.28Å; D257-E259 PolarHBondContact N-OE2 3.36Å; D257-E259 PolarHBondContact O-N 3.04Å; E259-L261 VanDerWaalsContact C-N 3.3Å; E259-L261 PolarHBondContact O-N 2.95Å; E259-Y262 PolarHBondContact O-N 2.92Å; E259-M263 WeakPolarHBondContact O-CB 3.39Å; E259-M263 VanDerWaalsContact O-CG 3.26Å; E259-M263 WeakPolarHBondContact O-CG 3.38Å; E259-M263 PolarHBondContact O-N 3.42Å
260L98.9Very high97.9Very high0 Ų052.1 Ų52.10%026%0.256CS..Hα-helixtrans-68-28.7177.1-58.9-174.6000112.8V206 V209 I210 L234 A237 H238 I241 Y256 N258 M263 A264V206-L260 HydrophobicContact CG1-CD1 3.8Å; V206-L260 HydrophobicContact CG1-CD2 4.13Å; V206-L260 HydrophobicContact CG1-CG 4.1Å; V206-L260 HydrophobicContact CG2-CD1 4.34Å; V209-L260 HydrophobicContact CG1-CD2 4.09Å; I210-L260 HydrophobicContact CD1-CD2 4.33Å; I210-L260 HydrophobicContact CG1-CD2 3.8Å; L234-L260 HydrophobicContact CD2-CB 4.27Å; L234-L260 HydrophobicContact CD2-CD2 3.76Å; L234-L260 HydrophobicContact CD2-CG 4.48Å; A237-L260 HydrophobicContact CB-CD1 3.66Å; H238-L260 HydrophobicContact CB-CB 4.16Å; I241-L260 HydrophobicContact CD1-CD1 3.81Å; Y256-L260 HydrophobicContact CE2-CG 4.19Å; Y256-L260 WeakPolarHBondContact OH-CB 3.24Å; Y256-L260 PolarHBondContact OH-N 2.97Å; N258-L260 VanDerWaalsContact C-N 3.31Å; N258-L260 PolarHBondContact O-N 3.22Å; L260-M263 HydrophobicContact CD2-SD 4.06Å; L260-A264 VanDerWaalsContact O-CB 3.24Å; L260-A264 WeakPolarHBondContact O-CB 3.22Å; L260-A264 PolarHBondContact O-N 3.12Å
261L98.8Very high98Very high13 Ų1347.9 Ų47.97%0.06823%0.233CC..Hα-helixtrans-73.1-38174-177.363000111L235 N258 E259 A264 H265 L316 L319 L320L235-L261 HydrophobicContact CD2-CD1 4.06Å; N258-L261 HydrophobicContact CB-CB 4.28Å; N258-L261 WeakPolarHBondContact O-CA 3.34Å; N258-L261 WeakPolarHBondContact O-CB 3.5Å; N258-L261 PolarHBondContact O-N 3.02Å; E259-L261 VanDerWaalsContact C-N 3.3Å; E259-L261 PolarHBondContact O-N 2.95Å; L261-A264 WeakPolarHBondContact O-CB 3.28Å; L261-A264 PolarHBondContact O-N 3.36Å; L261-H265 WeakPolarHBondContact O-CB 3.29Å; L261-H265 PolarHBondContact O-N 2.9Å; L261-L316 HydrophobicContact CD1-CD1 3.86Å; L261-L319 HydrophobicContact CD1-CB 4.01Å; L261-L319 HydrophobicContact CD1-CD1 4.11Å; L261-L319 HydrophobicContact CD2-CB 4.33Å; L261-L320 HydrophobicContact CD1-CD2 4.27Å; L261-L320 HydrophobicContact CD2-CD2 4.11Å; L261-L320 HydrophobicContact CG-CD2 4.01Å
262Y98.8Very high98.1Very high131 Ų13149.5 Ų49.551%0.51424%0.241SC..Hα-helixtrans-67-37.3172.5-61.5-40000112.2D257 N258 E259 H265 D266D257-Y262 WeakPolarHBondContact O-CE2 3.38Å; N258-Y262 HydrophobicContact CB-CE2 4.18Å; N258-Y262 PolarHBondContact O-N 3.34Å; E259-Y262 PolarHBondContact O-N 2.92Å; Y262-H265 PolarHBondContact O-N 3.07Å; Y262-D266 PolarHBondContact O-N 3.22Å
263M98.9Very high98.1Very high25 Ų2548.2 Ų48.212%0.12323%0.234CC..Hα-helixtrans-65.3-42.8171.7-71.1175.676.900111.9V209 I210 V213 F215 L234 E259 L260 H265 D266 L267V209-M263 HydrophobicContact CG1-CE 3.75Å; V209-M263 HydrophobicContact CG1-SD 4.36Å; I210-M263 HydrophobicContact CG1-SD 4.32Å; V213-M263 HydrophobicContact CB-CE 3.82Å; V213-M263 HydrophobicContact CG1-CE 3.97Å; F215-M263 HydrophobicContact CE2-CB 4.13Å; F215-M263 HydrophobicContact CE2-CE 4.45Å; F215-M263 WeakPolarHBondContact CE2-O 3.18Å; L234-M263 HydrophobicContact CD1-CB 4.11Å; L234-M263 HydrophobicContact CD2-CB 4.4Å; E259-M263 WeakPolarHBondContact O-CB 3.39Å; E259-M263 VanDerWaalsContact O-CG 3.26Å; E259-M263 WeakPolarHBondContact O-CG 3.38Å; E259-M263 PolarHBondContact O-N 3.42Å; L260-M263 HydrophobicContact CD2-SD 4.06Å; M263-H265 VanDerWaalsContact C-N 3.32Å; M263-H265 PolarHBondContact O-N 2.63Å; M263-D266 PolarHBondContact O-N 3.29Å; M263-L267 PolarHBondContact O-N 3.3Å
264A98.9Very high98.2Very high0 Ų047.5 Ų47.50%023%0.231CC..Hα-helixtrans-58.7-43.617400000111.5L231 L234 L235 L260 L261 A268 L316L231-A264 HydrophobicContact CD1-CB 3.45Å; L231-A264 VanDerWaalsContact CD1-CB 3.45Å; L231-A264 WeakPolarHBondContact CD1-O 3.43Å; L234-A264 HydrophobicContact CB-CB 4.11Å; L234-A264 HydrophobicContact CD1-CB 4.38Å; L235-A264 HydrophobicContact CD2-CB 4.04Å; L235-A264 HydrophobicContact CG-CB 4.33Å; L260-A264 VanDerWaalsContact O-CB 3.24Å; L260-A264 WeakPolarHBondContact O-CB 3.22Å; L260-A264 PolarHBondContact O-N 3.12Å; L261-A264 WeakPolarHBondContact O-CB 3.28Å; L261-A264 PolarHBondContact O-N 3.36Å; A264-A268 WeakPolarHBondContact O-CB 3.12Å; A264-A268 PolarHBondContact O-N 3.44Å; A264-L316 HydrophobicContact CB-CD1 4.05Å
265H98.9Very high98.3Very high68 Ų6840.5 Ų40.532%0.31520%0.2SC..Hα-helixtrans-63.7-48174.3177.7-106.7000112.8L261 Y262 M263 L267 A268 V269 L316 L320 F325L261-H265 WeakPolarHBondContact O-CB 3.29Å; L261-H265 PolarHBondContact O-N 2.9Å; Y262-H265 PolarHBondContact O-N 3.07Å; M263-H265 VanDerWaalsContact C-N 3.32Å; M263-H265 PolarHBondContact O-N 2.63Å; H265-L267 VanDerWaalsContact C-N 3.33Å; H265-L267 PolarHBondContact O-N 3.08Å; H265-A268 PolarHBondContact O-N 2.9Å; H265-V269 WeakPolarHBondContact O-CB 3.49Å; H265-V269 WeakPolarHBondContact O-CG2 3.43Å; H265-V269 PolarHBondContact O-N 3.34Å; H265-L316 HydrophobicContact CB-CD1 4.49Å; H265-L320 HydrophobicContact CB-CD1 4.12Å; H265-L320 VanDerWaalsContact CD2-CD1 3.43Å; H265-L320 WeakPolarHBondContact CD2-CD1 3.37Å; H265-F325 AromaticContact CD2-CE2 3.81Å; H265-F325 AromaticContact CD2-CZ 3.6Å; H265-F325 AromaticContact NE2-CZ 3.89Å
266D98.8Very high98.3Very high54 Ų5440 Ų4029%0.28919%0.193SC..Hα-helixtrans-58.3-43.1177.3177.268.3000111.9Y262 M263 R270Y262-D266 PolarHBondContact O-N 3.22Å; M263-D266 PolarHBondContact O-N 3.29Å; D266-R270 VanDerWaalsContact CG-NE 3.26Å; D266-R270 WeakPolarHBondContact O-CD 3.38Å; D266-R270 VanDerWaalsContact O-CG 3.24Å; D266-R270 WeakPolarHBondContact O-CG 3.07Å; D266-R270 PolarHBondContact O-N 2.97Å; D266-R270 IonicContact OD1-CZ 2.7Å; D266-R270 IonicContact OD1-NE 3.36Å; D266-R270 PolarHBondContact OD1-NE 3.46Å; D266-R270 VanDerWaalsContact OD1-NE 3.1Å; D266-R270 IonicContact OD1-NH2 3.74Å; D266-R270 PolarHBondContact OD1-NH2 2.97Å; D266-R270 IonicContact OD2-CZ 2.84Å; D266-R270 IonicContact OD2-NE 3.55Å; D266-R270 PolarHBondContact OD2-NE 3.29Å; D266-R270 IonicContact OD2-NH2 2.78Å; D266-R270 PolarHBondContact OD2-NH2 3.42Å
267L98.8Very high98Very high0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-61.8-52.2173.8179.158.6000111.4F215 V230 L231 M263 H265 V269 R270 L271 L289F215-L267 HydrophobicContact CB-CD1 4.47Å; F215-L267 HydrophobicContact CD1-CD1 4.09Å; F215-L267 HydrophobicContact CD2-CB 3.73Å; F215-L267 HydrophobicContact CE1-CD2 4.46Å; F215-L267 HydrophobicContact CE2-CB 3.87Å; F215-L267 HydrophobicContact CG-CB 4.14Å; F215-L267 HydrophobicContact CG-CD1 4.11Å; F215-L267 HydrophobicContact CZ-CB 4.41Å; F215-L267 HydrophobicContact CZ-CD2 4.4Å; V230-L267 HydrophobicContact CB-CD2 3.66Å; V230-L267 HydrophobicContact CG1-CD2 3.58Å; L231-L267 HydrophobicContact CB-CD2 4.16Å; M263-L267 PolarHBondContact O-N 3.3Å; H265-L267 VanDerWaalsContact C-N 3.33Å; H265-L267 PolarHBondContact O-N 3.08Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.5Å; L267-R270 WeakPolarHBondContact O-CA 3.35Å; L267-R270 WeakPolarHBondContact O-CB 3.33Å; L267-R270 PolarHBondContact O-N 2.85Å; L267-L271 HydrophobicContact CD1-CG 4.45Å; L267-L271 HydrophobicContact CG-CD1 4.44Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 2.9Å; L267-L271 VanDerWaalsContact O-N 3.12Å; L267-L289 HydrophobicContact CD1-CD2 3.87Å
268A98.8Very high97.9Very high0 Ų040.6 Ų40.60%020%0.2CC..Hα-helixtrans-61.4-38.5-176.500000112.4L231 A264 H265 R270 L271 L272 L316 F325L231-A268 HydrophobicContact CD2-CB 4.22Å; A264-A268 WeakPolarHBondContact O-CB 3.12Å; A264-A268 PolarHBondContact O-N 3.44Å; H265-A268 PolarHBondContact O-N 2.9Å; A268-R270 VanDerWaalsContact C-N 3.31Å; A268-R270 PolarHBondContact O-N 3.01Å; A268-L271 WeakPolarHBondContact O-CA 3.3Å; A268-L271 WeakPolarHBondContact O-CB 3.22Å; A268-L271 PolarHBondContact O-N 3.42Å; A268-L272 PolarHBondContact O-N 3.49Å; A268-L272 VanDerWaalsContact O-N 3.1Å; A268-L316 HydrophobicContact CB-CD2 3.28Å; A268-F325 HydrophobicContact CB-CD1 3.66Å; A268-F325 HydrophobicContact CB-CE1 3.51Å; A268-F325 HydrophobicContact CB-CZ 4.3Å
269V98.7Very high97.8Very high62 Ų6246.5 Ų46.538%0.37622%0.223SC..Hα-helixtrans-59.8-40172.9169.20000111.5H265 L267 L271 L272 P273 F325H265-V269 WeakPolarHBondContact O-CB 3.49Å; H265-V269 WeakPolarHBondContact O-CG2 3.43Å; H265-V269 PolarHBondContact O-N 3.34Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 2.5Å; V269-L271 PolarHBondContact O-N 2.86Å; V269-L272 PolarHBondContact O-N 2.83Å; V269-P273 WeakPolarHBondContact O-CD 3.36Å; V269-F325 HydrophobicContact CG2-CE1 4.21Å; V269-F325 HydrophobicContact CG2-CZ 3.91Å
270R98.7Very high97.7Very high53 Ų5345.7 Ų45.720%0.222%0.222CC..Hα-helixtrans-68.7-20.4174.9-65.2163.4-170.5-71-11113.3F215 D216 D266 L267 A268 P273 V287 L289F215-R270 WeakPolarHBondContact O-CD 3.44Å; F215-R270 PolarHBondContact O-NE 2.79Å; F215-R270 PolarHBondContact O-NH1 2.8Å; D216-R270 IonicContact OD1-NH1 3.9Å; D266-R270 VanDerWaalsContact CG-NE 3.26Å; D266-R270 WeakPolarHBondContact O-CD 3.38Å; D266-R270 VanDerWaalsContact O-CG 3.24Å; D266-R270 WeakPolarHBondContact O-CG 3.07Å; D266-R270 PolarHBondContact O-N 2.97Å; D266-R270 IonicContact OD1-CZ 2.7Å; D266-R270 IonicContact OD1-NE 3.36Å; D266-R270 PolarHBondContact OD1-NE 3.46Å; D266-R270 VanDerWaalsContact OD1-NE 3.1Å; D266-R270 IonicContact OD1-NH2 3.74Å; D266-R270 PolarHBondContact OD1-NH2 2.97Å; D266-R270 IonicContact OD2-CZ 2.84Å; D266-R270 IonicContact OD2-NE 3.55Å; D266-R270 PolarHBondContact OD2-NE 3.29Å; D266-R270 IonicContact OD2-NH2 2.78Å; D266-R270 PolarHBondContact OD2-NH2 3.42Å; L267-R270 WeakPolarHBondContact O-CA 3.35Å; L267-R270 WeakPolarHBondContact O-CB 3.33Å; L267-R270 PolarHBondContact O-N 2.85Å; A268-R270 VanDerWaalsContact C-N 3.31Å; A268-R270 PolarHBondContact O-N 3.01Å; R270-P273 WeakPolarHBondContact O-CD 3.45Å; R270-V287 WeakPolarHBondContact O-CG2 3.24Å; R270-L289 HydrophobicContact CB-CD2 4.21Å; R270-L289 VanDerWaalsContact CD-O 3.3Å; R270-L289 WeakPolarHBondContact CD-O 3.41Å; R270-L289 WeakPolarHBondContact CG-O 3.41Å; R270-L289 PolarHBondContact NH1-O 3.32Å
271L98.6Very high97.5Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-85.2-24.6174.2-58.9-177.9000113.3V223 A226 T227 L267 A268 V269 A274 V287 L289 F313V223-L271 HydrophobicContact CG1-CB 4.44Å; V223-L271 HydrophobicContact CG1-CD1 4.45Å; A226-L271 HydrophobicContact CB-CD1 4.43Å; A226-L271 HydrophobicContact CB-CD2 4.27Å; T227-L271 WeakPolarHBondContact OG1-CD1 3.3Å; L267-L271 HydrophobicContact CD1-CG 4.45Å; L267-L271 HydrophobicContact CG-CD1 4.44Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 2.9Å; L267-L271 VanDerWaalsContact O-N 3.12Å; A268-L271 WeakPolarHBondContact O-CA 3.3Å; A268-L271 WeakPolarHBondContact O-CB 3.22Å; A268-L271 PolarHBondContact O-N 3.42Å; V269-L271 PolarHBondContact O-N 2.86Å; L271-A274 VanDerWaalsContact O-CB 3.3Å; L271-A274 WeakPolarHBondContact O-CB 3.19Å; L271-A274 PolarHBondContact O-N 3.2Å; L271-A274 VanDerWaalsContact O-N 3.08Å; L271-V287 HydrophobicContact CD2-CG1 3.53Å; L271-L289 HydrophobicContact CD2-CD2 4.26Å; L271-F313 HydrophobicContact CB-CZ 4.25Å; L271-F313 HydrophobicContact CD1-CE1 4.31Å; L271-F313 HydrophobicContact CD1-CZ 4.2Å
272L98.4Very high97.5Very high34 Ų3445.1 Ų45.118%0.17822%0.219CC..G310 helixtrans-52.9-38.1-178.8-69.6178.9000115.5A268 V269 A274 F275 T324 F325 V328A268-L272 PolarHBondContact O-N 3.49Å; A268-L272 VanDerWaalsContact O-N 3.1Å; V269-L272 PolarHBondContact O-N 2.83Å; L272-A274 PolarHBondContact O-N 3.23Å; L272-F275 PolarHBondContact O-N 2.86Å; L272-T324 HydrophobicContact CD1-CG2 4.08Å; L272-T324 HydrophobicContact CD2-CG2 4.33Å; L272-F325 HydrophobicContact CD1-CE1 3.88Å; L272-F325 HydrophobicContact CD1-CZ 4.47Å; L272-F325 HydrophobicContact CD2-CD1 3.94Å; L272-F325 HydrophobicContact CD2-CE1 4.08Å; L272-F325 HydrophobicContact CG-CD1 4.37Å; L272-F325 HydrophobicContact CG-CE1 4.01Å; L272-V328 HydrophobicContact CD2-CG1 4.46Å; L272-V328 HydrophobicContact CD2-CG2 3.93Å
273P98.1Very high97.5Very high34 Ų3439 Ų3922%0.22120%0.196CC..G310 helixtrans-54.5-25.7177.1-29.737.1000114.3V269 R270 F275 E276 V287 V293V269-P273 WeakPolarHBondContact O-CD 3.36Å; R270-P273 WeakPolarHBondContact O-CD 3.45Å; P273-F275 PolarHBondContact O-N 3.29Å; P273-E276 PolarHBondContact O-N 2.58Å; P273-V287 HydrophobicContact CB-CG2 4.27Å; P273-V293 HydrophobicContact CB-CG2 4.17Å; P273-V293 VanDerWaalsContact O-CG2 3.23Å; P273-V293 WeakPolarHBondContact O-CG2 3.07Å
274A98Very high97.4Very high0 Ų039.2 Ų39.20%020%0.195CC..G310 helixtrans-64.2-23.5176.100000113.6V223 L271 L272 P283 Y284 V287V223-A274 HydrophobicContact CG2-CB 3.59Å; L271-A274 VanDerWaalsContact O-CB 3.3Å; L271-A274 WeakPolarHBondContact O-CB 3.19Å; L271-A274 PolarHBondContact O-N 3.2Å; L271-A274 VanDerWaalsContact O-N 3.08Å; L272-A274 PolarHBondContact O-N 3.23Å; A274-P283 HydrophobicContact CB-CB 4.24Å; A274-P283 CarbonylContact O-C 3.59Å; A274-P283 WeakPolarHBondContact O-CA 3.4Å; A274-Y284 WeakPolarHBondContact O-CD2 3.3Å; A274-Y284 PolarHBondContact O-N 2.97Å; A274-V287 HydrophobicContact CB-CB 4.5Å
275F97.7Very high97.3Very high7 Ų739.7 Ų39.73%0.03120%0.198CC..G310 helixtrans-88.6-14178.2-63.3-95.9000113L272 P273 T278 P283 L309 F313 V328 R331 A332L272-F275 PolarHBondContact O-N 2.86Å; P273-F275 PolarHBondContact O-N 3.29Å; F275-T278 PolarHBondContact O-OG1 2.67Å; F275-T278 VanDerWaalsContact O-OG1 3.11Å; F275-P283 HydrophobicContact CD1-CB 3.79Å; F275-P283 HydrophobicContact CD1-CG 4.1Å; F275-P283 HydrophobicContact CD2-CB 4.31Å; F275-P283 HydrophobicContact CE1-CB 3.87Å; F275-P283 HydrophobicContact CE1-CG 3.76Å; F275-P283 HydrophobicContact CE2-CB 4.37Å; F275-P283 HydrophobicContact CG-CB 4.05Å; F275-P283 HydrophobicContact CZ-CB 4.17Å; F275-P283 HydrophobicContact CZ-CG 4.16Å; F275-L309 HydrophobicContact CE1-CD1 4.26Å; F275-L309 HydrophobicContact CZ-CD1 3.63Å; F275-F313 AromaticContact CE2-CE2 3.78Å; F275-F313 HydrophobicContact CE2-CE2 3.78Å; F275-F313 HydrophobicContact CE2-CZ 4.25Å; F275-F313 AromaticContact CZ-CE2 3.95Å; F275-F313 HydrophobicContact CZ-CE2 3.95Å; F275-V328 HydrophobicContact CB-CB 4.35Å; F275-V328 HydrophobicContact CB-CG1 4.39Å; F275-V328 HydrophobicContact CD1-CB 3.69Å; F275-V328 HydrophobicContact CD1-CG2 4.1Å; F275-V328 HydrophobicContact CD2-CB 4.34Å; F275-V328 HydrophobicContact CD2-CG2 4.09Å; F275-V328 HydrophobicContact CE1-CB 3.93Å; F275-V328 HydrophobicContact CE1-CG2 3.97Å; F275-V328 HydrophobicContact CE2-CG2 3.97Å; F275-V328 HydrophobicContact CG-CB 3.88Å; F275-V328 HydrophobicContact CG-CG1 4.4Å; F275-V328 HydrophobicContact CG-CG2 4.13Å; F275-V328 HydrophobicContact CZ-CB 4.36Å; F275-V328 HydrophobicContact CZ-CG2 3.89Å; F275-R331 PolarHBondContact O-NH2 2.97Å; F275-A332 HydrophobicContact CE1-CB 4.2Å
276E94.5Very high97.2Very high115 Ų11538.2 Ų38.254%0.53719%0.19SC..THydrogen-bonded Turntrans-78.2155.4179.7-60.1-175.3-179.700112P273 T278P273-E276 PolarHBondContact O-N 2.58Å; E276-T278 WeakPolarHBondContact O-CG2 3.3Å; E276-T278 PolarHBondContact O-N 3.46Å
277N91.4Very high97.1Very high137 Ų13735.7 Ų35.773%0.73318%0.176SC*.THydrogen-bonded Turntrans5720.5175-55.7-61.5000115.4Q354N277-Q354 PolarHBondContact O-NE2 3.32Å
278T95Very high97Very high15 Ų1536.1 Ų36.19%0.09218%0.178CC..  trans-100.3126.3173.562.70000110.5F275 E276 T280 G281 I282 Y284 I353F275-T278 PolarHBondContact O-OG1 2.67Å; F275-T278 VanDerWaalsContact O-OG1 3.11Å; E276-T278 WeakPolarHBondContact O-CG2 3.3Å; E276-T278 PolarHBondContact O-N 3.46Å; T278-T280 PolarHBondContact O-N 2.87Å; T278-G281 WeakPolarHBondContact OG1-CA 2.95Å; T278-I282 WeakPolarHBondContact CB-O 3.25Å; T278-I282 VanDerWaalsContact CG2-O 3.27Å; T278-I282 WeakPolarHBondContact CG2-O 3.29Å; T278-I282 PolarHBondContact OG1-O 3.43Å; T278-Y284 HydrophobicContact CG2-CD2 3.65Å; T278-Y284 HydrophobicContact CG2-CE2 3.6Å; T278-I353 HydrophobicContact CG2-CD1 3.83Å; T278-I353 HydrophobicContact CG2-CG1 4.27Å
279K96.1Very high96.9Very high174 Ų17436.2 Ų36.276%0.75718%0.179SC*.SBendtrans-70.9-28.5-178.4-74.8172.2178.3177.70114.2Q354K279-Q354 WeakPolarHBondContact CD-O 3.47Å
280T96.9Very high96.8Very high38 Ų3838.6 Ų38.623%0.23318%0.184CC..SBendtrans-88.8-19.6178.9580000113.2T278 I282 A335 I353T278-T280 PolarHBondContact O-N 2.87Å; T280-I282 VanDerWaalsContact C-N 3.28Å; T280-I282 WeakPolarHBondContact OG1-CB 2.98Å; T280-I282 WeakPolarHBondContact OG1-CG1 3.36Å; T280-I282 PolarHBondContact OG1-N 3.21Å; T280-A335 VanDerWaalsContact O-CB 3.26Å; T280-A335 WeakPolarHBondContact O-CB 3.4Å; T280-I353 WeakPolarHBondContact CB-O 3.07Å; T280-I353 VanDerWaalsContact CG2-O 3.23Å; T280-I353 WeakPolarHBondContact CG2-O 3.24Å; T280-I353 PolarHBondContact N-O 3.28Å; T280-I353 PolarHBondContact OG1-O 3.29Å
281G95.2Very high96.7Very high1 Ų140.9 Ų40.91%0.0120%0.204CC..SBendtrans81.30.7-168.200000115.3T278 R331T278-G281 WeakPolarHBondContact OG1-CA 2.95Å; G281-R331 VanDerWaalsContact CA-CZ 3.48Å
282I98.3Very high96.7Very high0 Ų041.5 Ų41.50%021%0.211CC..PPolyproline II helixtrans-77.8128.9170.1-57.1173.2000108.1T278 T280 T301 A306 A335 L336 L339 V351 I353T278-I282 WeakPolarHBondContact CB-O 3.25Å; T278-I282 VanDerWaalsContact CG2-O 3.27Å; T278-I282 WeakPolarHBondContact CG2-O 3.29Å; T278-I282 PolarHBondContact OG1-O 3.43Å; T280-I282 VanDerWaalsContact C-N 3.28Å; T280-I282 WeakPolarHBondContact OG1-CB 2.98Å; T280-I282 WeakPolarHBondContact OG1-CG1 3.36Å; T280-I282 PolarHBondContact OG1-N 3.21Å; I282-T301 HydrophobicContact CG2-CG2 3.67Å; I282-A306 HydrophobicContact CG2-CB 3.54Å; I282-A335 HydrophobicContact CD1-CB 4.26Å; I282-A335 HydrophobicContact CG1-CB 3.59Å; I282-L336 HydrophobicContact CD1-CD2 3.89Å; I282-L336 HydrophobicContact CD1-CG 4.22Å; I282-L336 HydrophobicContact CG1-CD2 4.48Å; I282-L336 HydrophobicContact CG1-CG 4.38Å; I282-L336 HydrophobicContact CG2-CD2 4.45Å; I282-L339 HydrophobicContact CD1-CD1 3.74Å; I282-V351 HydrophobicContact CD1-CG1 4.09Å; I282-V351 HydrophobicContact CD1-CG2 4.26Å; I282-V351 HydrophobicContact CG2-CG1 4.36Å; I282-I353 HydrophobicContact CB-CB 4.33Å; I282-I353 HydrophobicContact CB-CG2 4.16Å; I282-I353 HydrophobicContact CG2-CG2 3.84Å
283P98.1Very high96.6Very high2 Ų241.8 Ų41.81%0.01321%0.214CC..PPolyproline II helixtrans-68.4153.5-174.827.2-36.1000113.8A274 F275 A306 L309A274-P283 HydrophobicContact CB-CB 4.24Å; A274-P283 CarbonylContact O-C 3.59Å; A274-P283 WeakPolarHBondContact O-CA 3.4Å; F275-P283 HydrophobicContact CD1-CB 3.79Å; F275-P283 HydrophobicContact CD1-CG 4.1Å; F275-P283 HydrophobicContact CD2-CB 4.31Å; F275-P283 HydrophobicContact CE1-CB 3.87Å; F275-P283 HydrophobicContact CE1-CG 3.76Å; F275-P283 HydrophobicContact CE2-CB 4.37Å; F275-P283 HydrophobicContact CG-CB 4.05Å; F275-P283 HydrophobicContact CZ-CB 4.17Å; F275-P283 HydrophobicContact CZ-CG 4.16Å; P283-A306 HydrophobicContact CG-CB 4.06Å; P283-L309 HydrophobicContact CG-CD1 4.1Å
284Y98.1Very high96.3Very high30 Ų3041.1 Ų41.112%0.11821%0.21CC..PPolyproline II helixtrans-55143.7160.3-75.8-82000110.3A274 T278 R286 V293 T297 N299 I353 Q354A274-Y284 WeakPolarHBondContact O-CD2 3.3Å; A274-Y284 PolarHBondContact O-N 2.97Å; T278-Y284 HydrophobicContact CG2-CD2 3.65Å; T278-Y284 HydrophobicContact CG2-CE2 3.6Å; Y284-R286 PolarHBondContact O-N 3.26Å; Y284-V293 HydrophobicContact CD1-CG1 4.08Å; Y284-V293 HydrophobicContact CD2-CG1 3.96Å; Y284-V293 HydrophobicContact CD2-CG2 4.11Å; Y284-V293 HydrophobicContact CE1-CG1 4.35Å; Y284-V293 HydrophobicContact CE2-CG1 4.26Å; Y284-V293 HydrophobicContact CG-CG1 3.87Å; Y284-V293 HydrophobicContact CG-CG2 4.46Å; Y284-T297 HydrophobicContact CD1-CG2 3.29Å; Y284-T297 HydrophobicContact CE1-CG2 3.38Å; Y284-T297 HydrophobicContact CG-CG2 4.24Å; Y284-N299 WeakPolarHBondContact CE1-OD1 3.34Å; Y284-I353 HydrophobicContact CD1-CD1 3.37Å; Y284-I353 HydrophobicContact CD2-CD1 4.01Å; Y284-I353 HydrophobicContact CE1-CD1 3.59Å; Y284-I353 HydrophobicContact CE2-CD1 4.17Å; Y284-I353 HydrophobicContact CG-CD1 3.61Å; Y284-Q354 PolarHBondContact OH-NE2 3.14Å
285P96.1Very high95.7Very high9 Ų947.9 Ų47.96%0.05825%0.253CS..SBendtrans-67.9-25-179.229.1-36.8000112.8Q222 V223 N298Q222-P285 CarbonylContact C-O 3.56Å; Q222-P285 WeakPolarHBondContact CA-O 3.37Å; Q222-P285 VanDerWaalsContact CG-O 3.27Å; Q222-P285 WeakPolarHBondContact CG-O 3.11Å; V223-P285 PolarHBondContact N-O 2.95Å; P285-N298 WeakPolarHBondContact CD-O 3.45Å
286R96.1Very high95Very high38 Ų3854.3 Ų54.314%0.14329%0.288CS..EExtended strand (participates in β ladder)trans-136.7149.8-168.9-67.4177.1-172.775.315.2112.9D177 T220 V221 Y284D177-R286 VanDerWaalsContact CG-NH2 3.33Å; D177-R286 IonicContact OD1-CZ 2.73Å; D177-R286 IonicContact OD1-NE 3.45Å; D177-R286 PolarHBondContact OD1-NE 2.99Å; D177-R286 IonicContact OD1-NH2 3.45Å; D177-R286 PolarHBondContact OD1-NH2 3.26Å; D177-R286 IonicContact OD2-CZ 2.65Å; D177-R286 IonicContact OD2-NE 3.55Å; D177-R286 IonicContact OD2-NH2 3.54Å; D177-R286 PolarHBondContact OD2-NH2 2.96Å; T220-R286 HydrophobicContact CG2-CB 4.01Å; V221-R286 VanDerWaalsContact O-CA 3.26Å; V221-R286 WeakPolarHBondContact O-CA 3.41Å; Y284-R286 PolarHBondContact O-N 3.26Å
287V96.8Very high94.6Very high0 Ų049.9 Ų49.90%027%0.269CS..EExtended strand (participates in β ladder)trans-147.1143.417869.20000109.7T220 V221 V223 R270 L271 P273 A274 V293T220-V287 WeakPolarHBondContact CA-O 3.44Å; V221-V287 HydrophobicContact CG2-CG1 4.47Å; V221-V287 PolarHBondContact N-O 2.92Å; V221-V287 PolarHBondContact O-N 3.09Å; V223-V287 HydrophobicContact CG2-CB 4.36Å; V223-V287 HydrophobicContact CG2-CG1 3.99Å; R270-V287 WeakPolarHBondContact O-CG2 3.24Å; L271-V287 HydrophobicContact CD2-CG1 3.53Å; P273-V287 HydrophobicContact CB-CG2 4.27Å; A274-V287 HydrophobicContact CB-CB 4.5Å; V287-V293 HydrophobicContact CG2-CG2 4.42Å
288N97.1Very high94.4Very high9 Ų946.8 Ų46.85%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-85.7125.5167.6-178.7-67.5000109.1D218 S219 K290 T291 G292D218-N288 PolarHBondContact OD1-ND2 3Å; S219-N288 WeakPolarHBondContact O-CA 3.35Å; N288-K290 PolarHBondContact O-N 2.84Å; N288-K290 PolarHBondContact OD1-N 2.86Å; N288-T291 VanDerWaalsContact CB-OG1 3.32Å; N288-T291 WeakPolarHBondContact CB-OG1 3.39Å; N288-T291 PolarHBondContact O-N 2.97Å; N288-T291 PolarHBondContact OD1-N 2.95Å; N288-T291 PolarHBondContact OD1-OG1 3.48Å; N288-G292 WeakPolarHBondContact CB-O 3.48Å; N288-G292 PolarHBondContact N-O 3.1Å; N288-G292 PolarHBondContact O-N 3.1Å
289L97.5Very high94.4Very high2 Ų248.8 Ų48.81%0.0126%0.263CS..THydrogen-bonded Turntrans-63.9-11.6-173-63175.8000114.2Y182 F215 S219 V221 L267 R270 L271Y182-L289 HydrophobicContact CD1-CD1 4.22Å; Y182-L289 HydrophobicContact CE1-CD1 4.41Å; F215-L289 VanDerWaalsContact O-CB 3.32Å; F215-L289 WeakPolarHBondContact O-CB 3.06Å; S219-L289 PolarHBondContact O-N 2.97Å; V221-L289 HydrophobicContact CG1-CD1 4.24Å; V221-L289 HydrophobicContact CG2-CD1 4.38Å; V221-L289 HydrophobicContact CG2-CD2 3.79Å; V221-L289 HydrophobicContact CG2-CG 4Å; L267-L289 HydrophobicContact CD1-CD2 3.87Å; R270-L289 HydrophobicContact CB-CD2 4.21Å; R270-L289 VanDerWaalsContact CD-O 3.3Å; R270-L289 WeakPolarHBondContact CD-O 3.41Å; R270-L289 WeakPolarHBondContact CG-O 3.41Å; R270-L289 PolarHBondContact NH1-O 3.32Å; L271-L289 HydrophobicContact CD2-CD2 4.26Å
290K96.7Very high94.4Very high112 Ų11243.9 Ų43.949%0.48724%0.242SC..THydrogen-bonded Turntrans-112.4-36.5176.2-173.8175-165.497.50113.9D216 K217 N288D216-K290 WeakPolarHBondContact OD1-CG 3.36Å; D216-K290 IonicContact OD1-NZ 2.67Å; D216-K290 PolarHBondContact OD1-NZ 2.81Å; D216-K290 IonicContact OD2-NZ 3.92Å; D216-K290 PolarHBondContact OD2-NZ 2.85Å; K217-K290 WeakPolarHBondContact O-CB 3.21Å; K217-K290 PolarHBondContact O-N 3.44Å; N288-K290 PolarHBondContact O-N 2.84Å; N288-K290 PolarHBondContact OD1-N 2.86Å
291T96.8Very high94.4Very high101 Ų10142.3 Ų42.362%0.6223%0.233SC*.THydrogen-bonded Turntrans-111-1.3-171.363.50000115N288N288-T291 VanDerWaalsContact CB-OG1 3.32Å; N288-T291 WeakPolarHBondContact CB-OG1 3.39Å; N288-T291 PolarHBondContact O-N 2.97Å; N288-T291 PolarHBondContact OD1-N 2.95Å; N288-T291 PolarHBondContact OD1-OG1 3.48Å
292G96.9Very high94.4Very high13 Ų1343.4 Ų43.413%0.13424%0.24CC..BIsolated β-bridgetrans80.1-150.5-178.500000112.4N288 P294N288-G292 WeakPolarHBondContact CB-O 3.48Å; N288-G292 PolarHBondContact N-O 3.1Å; N288-G292 PolarHBondContact O-N 3.1Å; G292-P294 WeakPolarHBondContact O-CD 2.78Å
293V96.4Very high94.4Very high40 Ų4043.4 Ų43.424%0.24224%0.24CC..SBendtrans-72.1123.2-173.4179.80000111.2P273 Y284 V287 T297P273-V293 HydrophobicContact CB-CG2 4.17Å; P273-V293 VanDerWaalsContact O-CG2 3.23Å; P273-V293 WeakPolarHBondContact O-CG2 3.07Å; Y284-V293 HydrophobicContact CD1-CG1 4.08Å; Y284-V293 HydrophobicContact CD2-CG1 3.96Å; Y284-V293 HydrophobicContact CD2-CG2 4.11Å; Y284-V293 HydrophobicContact CE1-CG1 4.35Å; Y284-V293 HydrophobicContact CE2-CG1 4.26Å; Y284-V293 HydrophobicContact CG-CG1 3.87Å; Y284-V293 HydrophobicContact CG-CG2 4.46Å; V287-V293 HydrophobicContact CG2-CG2 4.42Å; V293-T297 HydrophobicContact CG1-CG2 3.5Å; V293-T297 VanDerWaalsContact CG1-CG2 3.5Å
294P91.6Very high94.4Very high21 Ų2143.4 Ų43.414%0.13624%0.24CC..  trans-62.1140.5177.6-24.635.2000112.8T220 G292 D296 T297T220-P294 HydrophobicContact CG2-CG 3.96Å; G292-P294 WeakPolarHBondContact O-CD 2.78Å; P294-D296 WeakPolarHBondContact CB-OD1 3.21Å; P294-D296 PolarHBondContact O-N 3.39Å; P294-D296 VanDerWaalsContact O-N 3.14Å; P294-T297 VanDerWaalsContact O-CB 3.28Å; P294-T297 WeakPolarHBondContact O-CB 3.37Å; P294-T297 VanDerWaalsContact O-CG2 3.3Å; P294-T297 WeakPolarHBondContact O-CG2 3.4Å; P294-T297 PolarHBondContact O-N 2.93Å; P294-T297 VanDerWaalsContact O-N 3.11Å
295P86.7Confident94.4Very high141 Ų14142.1 Ų42.192%0.91624%0.236SC*.THydrogen-bonded Turntrans-61.3-23.9-177.3-24.734.7000115.4
296D83.1Confident94.5Very high142 Ų14241.8 Ų41.876%0.75923%0.234SC*.THydrogen-bonded Turntrans-100.59.2-178.562.7-32.4000113.5P294P294-D296 WeakPolarHBondContact CB-OD1 3.21Å; P294-D296 PolarHBondContact O-N 3.39Å; P294-D296 VanDerWaalsContact O-N 3.14Å
297T85.3Confident94.6Very high23 Ų2340 Ų4014%0.14123%0.227CC..  trans-59.3152.3-179.3-164.40000113.1Y284 V293 P294Y284-T297 HydrophobicContact CD1-CG2 3.29Å; Y284-T297 HydrophobicContact CE1-CG2 3.38Å; Y284-T297 HydrophobicContact CG-CG2 4.24Å; V293-T297 HydrophobicContact CG1-CG2 3.5Å; V293-T297 VanDerWaalsContact CG1-CG2 3.5Å; P294-T297 VanDerWaalsContact O-CB 3.28Å; P294-T297 WeakPolarHBondContact O-CB 3.37Å; P294-T297 VanDerWaalsContact O-CG2 3.3Å; P294-T297 WeakPolarHBondContact O-CG2 3.4Å; P294-T297 PolarHBondContact O-N 2.93Å; P294-T297 VanDerWaalsContact O-N 3.11Å
298N87.9Confident94.6Very high72 Ų7240 Ų4039%0.38523%0.227SC..  trans-73.2136.3175.2-164.4-2.7000110.8P285 E300P285-N298 WeakPolarHBondContact CD-O 3.45Å; N298-E300 PolarHBondContact ND2-OE2 3.43Å; N298-E300 VanDerWaalsContact ND2-OE2 3.16Å; N298-E300 PolarHBondContact O-N 3.12Å; N298-E300 WeakPolarHBondContact OD1-CG 3.33Å; N298-E300 PolarHBondContact OD1-N 2.72Å
299N94.5Very high94.7Very high57 Ų5739.6 Ų39.631%0.30523%0.225SC..SBendtrans-82.97.9170.6-71.3-73.1000112.5Y284 N352 I353 Q354Y284-N299 WeakPolarHBondContact CE1-OD1 3.34Å; N299-N352 CarbonylContact O-C 3.59Å; N299-N352 VanDerWaalsContact O-CA 3.29Å; N299-N352 WeakPolarHBondContact O-CA 3.38Å; N299-I353 HydrophobicContact CB-CG1 4.38Å; N299-I353 WeakPolarHBondContact O-CG1 3.4Å; N299-I353 PolarHBondContact O-N 3.32Å; N299-Q354 HydrophobicContact CB-CG 4.26Å; N299-Q354 WeakPolarHBondContact OD1-CG 3.21Å
300E95.9Very high94.8Very high70 Ų7039.6 Ų39.633%0.32723%0.225SC..EExtended strand (participates in β ladder)trans-110.1134.6177.8-55.3168.3159.800110.3N298 V350 V351 V359N298-E300 PolarHBondContact ND2-OE2 3.43Å; N298-E300 VanDerWaalsContact ND2-OE2 3.16Å; N298-E300 PolarHBondContact O-N 3.12Å; N298-E300 WeakPolarHBondContact OD1-CG 3.33Å; N298-E300 PolarHBondContact OD1-N 2.72Å; E300-V350 HydrophobicContact CB-CG1 3.88Å; E300-V351 WeakPolarHBondContact CA-O 3.44Å; E300-V359 HydrophobicContact CG-CG2 4.26Å
301T96.5Very high94.9Very high6 Ų634.3 Ų34.34%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-137160.7175.7-166.90000110.4I282 A306 V350 V351 I353I282-T301 HydrophobicContact CG2-CG2 3.67Å; T301-A306 HydrophobicContact CG2-CB 3.74Å; T301-V350 CarbonylContact O-C 3.29Å; T301-V350 WeakPolarHBondContact O-CA 3.19Å; T301-V351 HydrophobicContact CG2-CG1 3.93Å; T301-V351 PolarHBondContact N-O 3.43Å; T301-V351 PolarHBondContact O-N 2.94Å; T301-I353 HydrophobicContact CG2-CG2 3.55Å
302C96.9Very high94.9Very high24 Ų2429.5 Ų29.516%0.16217%0.173CC..EExtended strand (participates in β ladder)trans-88.8159.2174.262.20000112.1G305 A306 N349C302-G305 PolarHBondContact O-N 2.77Å; C302-G305 PolarHBondContact SG-N 3.01Å; C302-A306 PolarHBondContact O-N 3.33Å; C302-A306 VanDerWaalsContact O-N 3.14Å; C302-N349 WeakPolarHBondContact CA-O 3.33Å; C302-N349 VanDerWaalsContact CB-O 3.24Å; C302-N349 WeakPolarHBondContact CB-O 3.37Å
303T98.4Very high95Very high0 Ų028.9 Ų28.90%017%0.167CC..Hα-helixtrans-62.7-45.6-177.3-65.30000111.8G307 L347 G348 N349 W358 G368 F372T303-G307 PolarHBondContact O-N 3.36Å; T303-L347 HydrophobicContact CG2-CB 4.3Å; T303-L347 HydrophobicContact CG2-CD2 3.68Å; T303-L347 HydrophobicContact CG2-CG 4.49Å; T303-G348 PolarHBondContact OG1-O 2.69Å; T303-N349 PolarHBondContact N-O 2.95Å; T303-W358 WeakPolarHBondContact OG1-CH2 3.46Å; T303-W358 VanDerWaalsContact OG1-CZ3 3.3Å; T303-W358 WeakPolarHBondContact OG1-CZ3 3.49Å; T303-G368 WeakPolarHBondContact CB-O 3.44Å; T303-G368 PolarHBondContact N-O 2.83Å; T303-G368 VanDerWaalsContact N-O 3.14Å; T303-F372 HydrophobicContact CG2-CB 3.98Å; T303-F372 HydrophobicContact CG2-CD1 3.86Å; T303-F372 HydrophobicContact CG2-CD2 4.25Å; T303-F372 HydrophobicContact CG2-CE1 4.41Å; T303-F372 HydrophobicContact CG2-CG 3.76Å
304A98.1Very high95.1Very high2 Ų227 Ų272%0.01716%0.155CC..Hα-helixtrans-59.4-54.1172.400000111.2A306 G307 S308 G368 D370A304-A306 PolarHBondContact O-N 3.05Å; A304-G307 PolarHBondContact O-N 2.99Å; A304-S308 WeakPolarHBondContact O-CB 3.38Å; A304-S308 PolarHBondContact O-N 3.17Å; A304-S308 PolarHBondContact O-OG 3Å; A304-G368 PolarHBondContact N-O 2.76Å; A304-D370 WeakPolarHBondContact CB-OD1 3.47Å
305G97.2Very high95.4Very high3 Ų326.1 Ų26.13%0.03115%0.149CC..Hα-helixtrans-62.2-20.8-174.400000115.7C302C302-G305 PolarHBondContact O-N 2.77Å; C302-G305 PolarHBondContact SG-N 3.01Å
306A97.7Very high96Very high1 Ų119.4 Ų19.41%0.00811%0.106CC..Hα-helixtrans-102-20.8174.600000114.5I282 P283 T301 C302 A304 A332 L336I282-A306 HydrophobicContact CG2-CB 3.54Å; P283-A306 HydrophobicContact CG-CB 4.06Å; T301-A306 HydrophobicContact CG2-CB 3.74Å; C302-A306 PolarHBondContact O-N 3.33Å; C302-A306 VanDerWaalsContact O-N 3.14Å; A304-A306 PolarHBondContact O-N 3.05Å; A306-A332 WeakPolarHBondContact O-CB 3.33Å; A306-L336 HydrophobicContact CB-CD1 4.07Å
307G97.6Very high96.7Very high1 Ų112.7 Ų12.71%0.017%0.069CC..Hα-helixtrans-102-24.5-176.200000114.6T303 A304 L309 V333T303-G307 PolarHBondContact O-N 3.36Å; A304-G307 PolarHBondContact O-N 2.99Å; G307-L309 PolarHBondContact O-N 3.37Å; G307-L309 VanDerWaalsContact O-N 3.08Å; G307-V333 WeakPolarHBondContact O-CG2 3.49Å
308S98.5Very high97.2Very high0 Ų012.2 Ų12.20%07%0.065CC..THydrogen-bonded Turntrans-88.745.6-176-52.40000112.7A304 S371 F372 Y375A304-S308 WeakPolarHBondContact O-CB 3.38Å; A304-S308 PolarHBondContact O-N 3.17Å; A304-S308 PolarHBondContact O-OG 3Å; S308-S371 WeakPolarHBondContact CB-OG 3.45Å; S308-S371 WeakPolarHBondContact OG-CB 3.2Å; S308-S371 PolarHBondContact OG-O 3.07Å; S308-S371 PolarHBondContact OG-OG 3.24Å; S308-F372 PolarHBondContact OG-N 2.64Å; S308-Y375 VanDerWaalsContact C-CD2 3.47Å; S308-Y375 VanDerWaalsContact C-CE2 3.5Å; S308-Y375 VanDerWaalsContact CA-CD2 3.43Å; S308-Y375 WeakPolarHBondContact O-CE2 3.31Å
309L98.7Very high97.6Very high1 Ų111 Ų111%0.0056%0.058CC..THydrogen-bonded Turntrans-117-15.3178.7-50.2177.3000111.6V223 T227 F275 P283 G307 V311 F313 A329V223-L309 HydrophobicContact CG1-CD1 4.04Å; V223-L309 HydrophobicContact CG1-CD2 4.3Å; T227-L309 HydrophobicContact CG2-CB 4.4Å; T227-L309 HydrophobicContact CG2-CD2 3.87Å; F275-L309 HydrophobicContact CE1-CD1 4.26Å; F275-L309 HydrophobicContact CZ-CD1 3.63Å; P283-L309 HydrophobicContact CG-CD1 4.1Å; G307-L309 PolarHBondContact O-N 3.37Å; G307-L309 VanDerWaalsContact O-N 3.08Å; L309-V311 PolarHBondContact O-N 2.98Å; L309-F313 HydrophobicContact CB-CD1 4.43Å; L309-F313 VanDerWaalsContact O-CB 3.25Å; L309-F313 WeakPolarHBondContact O-CB 3.43Å; L309-F313 WeakPolarHBondContact O-CD1 3.29Å; L309-F313 PolarHBondContact O-N 3.02Å; L309-F313 VanDerWaalsContact O-N 3.08Å; L309-A329 HydrophobicContact CB-CB 4.39Å
310L98.5Very high97.6Very high2 Ų211.1 Ų11.11%0.016%0.059CC..Hα-helixtrans-68.7-31-167.9178.658.5000114.1G314 E326 A329 R330 V333L310-G314 WeakPolarHBondContact O-CA 3.3Å; L310-G314 PolarHBondContact O-N 3.2Å; L310-E326 HydrophobicContact CD1-CG 4.2Å; L310-A329 HydrophobicContact CB-CB 4.27Å; L310-A329 HydrophobicContact CD1-CB 4.1Å; L310-R330 HydrophobicContact CD1-CG 3.43Å; L310-R330 VanDerWaalsContact CD1-CG 3.43Å; L310-R330 HydrophobicContact CD2-CG 4.36Å; L310-V333 HydrophobicContact CB-CG2 4.34Å; L310-V333 HydrophobicContact CD2-CG2 4.27Å
311V98.6Very high97.6Very high0 Ų09.3 Ų9.30%06%0.059CC..Hα-helixtrans-68.1-54.2-179.3168.90000109.9L309 G314 I315 Y375 K378 L382 M576 T578L309-V311 PolarHBondContact O-N 2.98Å; V311-G314 PolarHBondContact O-N 2.99Å; V311-I315 HydrophobicContact CG1-CD1 3.79Å; V311-I315 VanDerWaalsContact O-CD1 3.3Å; V311-I315 WeakPolarHBondContact O-CD1 3.04Å; V311-I315 WeakPolarHBondContact O-CG1 3.36Å; V311-I315 PolarHBondContact O-N 3.21Å; V311-Y375 HydrophobicContact CB-CD2 3.93Å; V311-Y375 HydrophobicContact CB-CE1 4.46Å; V311-Y375 HydrophobicContact CB-CE2 3.54Å; V311-Y375 HydrophobicContact CG2-CD1 4.01Å; V311-Y375 HydrophobicContact CG2-CD2 3.58Å; V311-Y375 HydrophobicContact CG2-CE1 4.03Å; V311-Y375 HydrophobicContact CG2-CE2 3.66Å; V311-Y375 HydrophobicContact CG2-CG 3.77Å; V311-K378 HydrophobicContact CG2-CB 4.19Å; V311-L382 HydrophobicContact CG1-CD1 3.75Å; V311-M576 HydrophobicContact CG1-CE 4.41Å; V311-T578 HydrophobicContact CG1-CG2 4.02Å
312E98.8Very high97.6Very high1 Ų111.7 Ų11.71%0.0057%0.071CC..Hα-helixtrans-69.6-45.6-177.1-63.371.5-15500111.5T227 L231 L235 G314 I315 L316 Y375 T578T227-E312 HydrophobicContact CG2-CB 3.79Å; T227-E312 HydrophobicContact CG2-CG 4.02Å; L231-E312 HydrophobicContact CD2-CB 3.88Å; L231-E312 HydrophobicContact CG-CB 4.02Å; L235-E312 HydrophobicContact CD1-CB 4.13Å; L235-E312 VanDerWaalsContact CD1-O 3.31Å; L235-E312 WeakPolarHBondContact CD1-O 3.31Å; E312-G314 VanDerWaalsContact C-N 3.31Å; E312-G314 PolarHBondContact O-N 2.87Å; E312-I315 PolarHBondContact O-N 3Å; E312-L316 WeakPolarHBondContact O-CB 3.19Å; E312-L316 PolarHBondContact O-N 2.73Å; E312-Y375 PolarHBondContact OE1-OH 2.73Å; E312-Y375 VanDerWaalsContact OE2-CE2 3.29Å; E312-Y375 WeakPolarHBondContact OE2-CE2 3.31Å; E312-Y375 PolarHBondContact OE2-OH 2.59Å; E312-T578 WeakPolarHBondContact OE1-CG2 3.28Å
313F98.8Very high97.5Very high0 Ų011.8 Ų11.80%07%0.073CC..Hα-helixtrans-66.2-35.7178.8-80.543.9000111.2T227 L231 L271 F275 L309 S317 F325 V328 A329T227-F313 HydrophobicContact CG2-CD1 3.89Å; T227-F313 HydrophobicContact CG2-CE1 3.74Å; L231-F313 HydrophobicContact CD2-CD1 3.68Å; L231-F313 HydrophobicContact CD2-CE1 3.67Å; L271-F313 HydrophobicContact CB-CZ 4.25Å; L271-F313 HydrophobicContact CD1-CE1 4.31Å; L271-F313 HydrophobicContact CD1-CZ 4.2Å; F275-F313 AromaticContact CE2-CE2 3.78Å; F275-F313 HydrophobicContact CE2-CE2 3.78Å; F275-F313 HydrophobicContact CE2-CZ 4.25Å; F275-F313 AromaticContact CZ-CE2 3.95Å; F275-F313 HydrophobicContact CZ-CE2 3.95Å; L309-F313 HydrophobicContact CB-CD1 4.43Å; L309-F313 VanDerWaalsContact O-CB 3.25Å; L309-F313 WeakPolarHBondContact O-CB 3.43Å; L309-F313 WeakPolarHBondContact O-CD1 3.29Å; L309-F313 PolarHBondContact O-N 3.02Å; L309-F313 VanDerWaalsContact O-N 3.08Å; F313-S317 WeakPolarHBondContact O-CB 3.43Å; F313-S317 PolarHBondContact O-N 3.42Å; F313-S317 PolarHBondContact O-OG 3.34Å; F313-F325 HydrophobicContact CB-CB 3.87Å; F313-F325 HydrophobicContact CD2-CB 3.74Å; F313-F325 HydrophobicContact CD2-CD1 4.37Å; F313-F325 WeakPolarHBondContact CD2-O 3.41Å; F313-F325 HydrophobicContact CE2-CD1 4.43Å; F313-F325 HydrophobicContact CG-CB 4.04Å; F313-V328 HydrophobicContact CD2-CG2 3.95Å; F313-V328 HydrophobicContact CE2-CG2 4.04Å; F313-A329 HydrophobicContact CB-CB 3.94Å; F313-A329 HydrophobicContact CD2-CB 4.29Å; F313-A329 HydrophobicContact CG-CB 4.34Å
314G98.1Very high97.5Very high0 Ų014.4 Ų14.40%09%0.089CC..Hα-helixtrans-64.3-50.2172.500000112.4L310 V311 E312 L316 S317 R318L310-G314 WeakPolarHBondContact O-CA 3.3Å; L310-G314 PolarHBondContact O-N 3.2Å; V311-G314 PolarHBondContact O-N 2.99Å; E312-G314 VanDerWaalsContact C-N 3.31Å; E312-G314 PolarHBondContact O-N 2.87Å; G314-L316 VanDerWaalsContact C-N 3.35Å; G314-L316 PolarHBondContact O-N 3.04Å; G314-S317 PolarHBondContact O-N 3.34Å; G314-R318 WeakPolarHBondContact O-CG 3.17Å; G314-R318 PolarHBondContact O-N 3.49Å
315I98Very high97.5Very high3 Ų314.4 Ų14.42%0.0159%0.088CC..Hα-helixtrans-58-47.6176.9-67157.8000110.7L235 V311 E312 S317 R318 L319 L382 F383 V584 L590L235-I315 HydrophobicContact CB-CG2 4.31Å; L235-I315 HydrophobicContact CD1-CB 4.2Å; L235-I315 HydrophobicContact CD1-CG2 4.11Å; L235-I315 HydrophobicContact CD2-CG2 4.28Å; L235-I315 HydrophobicContact CG-CG2 4.48Å; V311-I315 HydrophobicContact CG1-CD1 3.79Å; V311-I315 VanDerWaalsContact O-CD1 3.3Å; V311-I315 WeakPolarHBondContact O-CD1 3.04Å; V311-I315 WeakPolarHBondContact O-CG1 3.36Å; V311-I315 PolarHBondContact O-N 3.21Å; E312-I315 PolarHBondContact O-N 3Å; I315-S317 PolarHBondContact O-N 3.34Å; I315-R318 PolarHBondContact O-N 2.95Å; I315-L319 HydrophobicContact CG2-CD1 3.77Å; I315-L319 HydrophobicContact CG2-CG 4.34Å; I315-L319 VanDerWaalsContact O-CG 3.3Å; I315-L319 WeakPolarHBondContact O-CG 3.49Å; I315-L319 PolarHBondContact O-N 2.95Å; I315-L382 HydrophobicContact CD1-CD1 3.99Å; I315-L382 HydrophobicContact CG1-CD1 4.18Å; I315-F383 HydrophobicContact CG1-CE1 4.2Å; I315-F383 HydrophobicContact CG1-CZ 4.19Å; I315-V584 HydrophobicContact CD1-CB 4.34Å; I315-V584 HydrophobicContact CD1-CG1 3.68Å; I315-V584 HydrophobicContact CD1-CG2 3.79Å; I315-V584 HydrophobicContact CG1-CG1 4.31Å; I315-L590 HydrophobicContact CG1-CD1 4.41Å
316L98.5Very high97.6Very high0 Ų014.5 Ų14.50%09%0.088CC..Hα-helixtrans-57.3-50.3177.4179.967000111.5L231 L235 L261 A264 H265 A268 E312 G314 R318 L319 L320 F325L231-L316 HydrophobicContact CD1-CD2 4.31Å; L235-L316 HydrophobicContact CD1-CB 4.25Å; L235-L316 HydrophobicContact CD2-CB 4.25Å; L235-L316 HydrophobicContact CD2-CD1 4.06Å; L261-L316 HydrophobicContact CD1-CD1 3.86Å; A264-L316 HydrophobicContact CB-CD1 4.05Å; H265-L316 HydrophobicContact CB-CD1 4.49Å; A268-L316 HydrophobicContact CB-CD2 3.28Å; E312-L316 WeakPolarHBondContact O-CB 3.19Å; E312-L316 PolarHBondContact O-N 2.73Å; G314-L316 VanDerWaalsContact C-N 3.35Å; G314-L316 PolarHBondContact O-N 3.04Å; L316-R318 PolarHBondContact O-N 3.22Å; L316-L319 PolarHBondContact O-N 3.27Å; L316-L320 HydrophobicContact CD1-CD1 3.67Å; L316-L320 HydrophobicContact CD1-CG 4.04Å; L316-L320 HydrophobicContact CD2-CD1 4.48Å; L316-L320 HydrophobicContact CG-CD1 3.8Å; L316-L320 HydrophobicContact CG-CG 4.42Å; L316-L320 WeakPolarHBondContact O-CB 3.5Å; L316-L320 WeakPolarHBondContact O-CG 3.14Å; L316-L320 PolarHBondContact O-N 2.62Å; L316-F325 HydrophobicContact CD2-CB 4.45Å; L316-F325 HydrophobicContact CD2-CD1 4.03Å; L316-F325 HydrophobicContact CD2-CD2 3.86Å; L316-F325 HydrophobicContact CD2-CE1 4.27Å; L316-F325 HydrophobicContact CD2-CE2 4.12Å; L316-F325 HydrophobicContact CD2-CG 3.83Å; L316-F325 HydrophobicContact CD2-CZ 4.32Å; L316-F325 HydrophobicContact CG-CD2 4.2Å
317S98.2Very high97.6Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-55.6-48.1177.3-89.80000112.5F313 G314 I315 L319 L320 G321 D322 F325 E326 W595F313-S317 WeakPolarHBondContact O-CB 3.43Å; F313-S317 PolarHBondContact O-N 3.42Å; F313-S317 PolarHBondContact O-OG 3.34Å; G314-S317 PolarHBondContact O-N 3.34Å; I315-S317 PolarHBondContact O-N 3.34Å; S317-L319 PolarHBondContact O-N 2.89Å; S317-L320 PolarHBondContact O-N 2.77Å; S317-G321 WeakPolarHBondContact O-CA 3.45Å; S317-G321 PolarHBondContact O-N 2.81Å; S317-D322 WeakPolarHBondContact CA-O 3.34Å; S317-D322 WeakPolarHBondContact CB-O 3.39Å; S317-D322 PolarHBondContact O-N 3.23Å; S317-D322 PolarHBondContact OG-O 2.89Å; S317-F325 WeakPolarHBondContact OG-CB 3.42Å; S317-F325 PolarHBondContact OG-N 3.25Å; S317-E326 PolarHBondContact OG-N 2.62Å; S317-W595 WeakPolarHBondContact O-CZ3 3.33Å
318R95.8Very high97.6Very high14 Ų1422.5 Ų22.55%0.05312%0.119CC..Hα-helixtrans-64.6-37.9-178.9-60.2-77.4170130.89.2111.9G314 I315 L316 E326 F383 E385 L590 R591 E592 L593 W595G314-R318 WeakPolarHBondContact O-CG 3.17Å; G314-R318 PolarHBondContact O-N 3.49Å; I315-R318 PolarHBondContact O-N 2.95Å; L316-R318 PolarHBondContact O-N 3.22Å; R318-E326 IonicContact CZ-OE1 2.73Å; R318-E326 IonicContact CZ-OE2 3.75Å; R318-E326 IonicContact NE-OE1 2.64Å; R318-E326 IonicContact NE-OE2 3.68Å; R318-E326 PolarHBondContact NE-OE2 3.01Å; R318-E326 IonicContact NH2-OE1 3.69Å; R318-E326 PolarHBondContact NH2-OE1 3.21Å; R318-E326 IonicContact NH2-OE2 3.61Å; R318-E326 PolarHBondContact NH2-OE2 3.48Å; R318-E326 VanDerWaalsContact NH2-OE2 3.14Å; R318-F383 HydrophobicContact CG-CD1 4.46Å; R318-F383 HydrophobicContact CG-CE1 4.45Å; R318-E385 IonicContact NH2-OE1 3.61Å; R318-L590 HydrophobicContact CB-CD2 3.86Å; R318-L590 HydrophobicContact CG-CD2 4.35Å; R318-L590 PolarHBondContact NH1-O 3.05Å; R318-R591 PolarHBondContact NH1-O 2.96Å; R318-E592 WeakPolarHBondContact CD-O 3.25Å; R318-E592 PolarHBondContact NH1-O 2.76Å; R318-L593 VanDerWaalsContact NH2-CD2 3.32Å; R318-W595 HydrophobicContact CG-CH2 4.21Å
319L95.8Very high97.6Very high46 Ų4622.6 Ų22.624%0.24112%0.12CC..Hα-helixtrans-73-33.5177.6-68.6174.2000113.6L235 L261 I315 L316 S317L235-L319 HydrophobicContact CD2-CD1 4.07Å; L261-L319 HydrophobicContact CD1-CB 4.01Å; L261-L319 HydrophobicContact CD1-CD1 4.11Å; L261-L319 HydrophobicContact CD2-CB 4.33Å; I315-L319 HydrophobicContact CG2-CD1 3.77Å; I315-L319 HydrophobicContact CG2-CG 4.34Å; I315-L319 VanDerWaalsContact O-CG 3.3Å; I315-L319 WeakPolarHBondContact O-CG 3.49Å; I315-L319 PolarHBondContact O-N 2.95Å; L316-L319 PolarHBondContact O-N 3.27Å; S317-L319 PolarHBondContact O-N 2.89Å
320L96.1Very high97.6Very high59 Ų5924.1 Ų24.131%0.30913%0.125SC..Hα-helixtrans-84.8-23.1177.3-67177.3000113.7L261 H265 L316 S317 D322 F325L261-L320 HydrophobicContact CD1-CD2 4.27Å; L261-L320 HydrophobicContact CD2-CD2 4.11Å; L261-L320 HydrophobicContact CG-CD2 4.01Å; H265-L320 HydrophobicContact CB-CD1 4.12Å; H265-L320 VanDerWaalsContact CD2-CD1 3.43Å; H265-L320 WeakPolarHBondContact CD2-CD1 3.37Å; L316-L320 HydrophobicContact CD1-CD1 3.67Å; L316-L320 HydrophobicContact CD1-CG 4.04Å; L316-L320 HydrophobicContact CD2-CD1 4.48Å; L316-L320 HydrophobicContact CG-CD1 3.8Å; L316-L320 HydrophobicContact CG-CG 4.42Å; L316-L320 WeakPolarHBondContact O-CB 3.5Å; L316-L320 WeakPolarHBondContact O-CG 3.14Å; L316-L320 PolarHBondContact O-N 2.62Å; S317-L320 PolarHBondContact O-N 2.77Å; L320-D322 VanDerWaalsContact C-N 3.27Å; L320-D322 HydrophobicContact CB-CB 4.27Å; L320-F325 HydrophobicContact CD1-CD2 4.49Å; L320-F325 HydrophobicContact CD1-CE2 3.97Å
321G95.3Very high97.6Very high33 Ų3328 Ų2834%0.3414%0.14SC..THydrogen-bonded Turntrans76.69.3-16700000114.3S317S317-G321 WeakPolarHBondContact O-CA 3.45Å; S317-G321 PolarHBondContact O-N 2.81Å
322D95.4Very high97.6Very high55 Ų5528 Ų2829%0.29414%0.14SC..  trans-103.9116.3-179.3176.36.5000111.2S317 L320 T324S317-D322 WeakPolarHBondContact CA-O 3.34Å; S317-D322 WeakPolarHBondContact CB-O 3.39Å; S317-D322 PolarHBondContact O-N 3.23Å; S317-D322 PolarHBondContact OG-O 2.89Å; L320-D322 VanDerWaalsContact C-N 3.27Å; L320-D322 HydrophobicContact CB-CB 4.27Å; D322-T324 PolarHBondContact O-N 3.06Å; D322-T324 VanDerWaalsContact OD1-CB 3.25Å; D322-T324 WeakPolarHBondContact OD1-CB 3.23Å; D322-T324 PolarHBondContact OD1-N 2.92Å; D322-T324 PolarHBondContact OD1-OG1 2.93Å; D322-T324 PolarHBondContact OD2-OG1 2.79Å
323S96.4Very high97.5Very high27 Ų2728.2 Ų28.219%0.18914%0.141CC..THydrogen-bonded Turntrans-66.3-14.2179.764.30000115.8F325 E326 W327S323-F325 PolarHBondContact O-N 3.33Å; S323-E326 PolarHBondContact O-N 2.83Å; S323-W327 WeakPolarHBondContact O-CB 3.3Å; S323-W327 PolarHBondContact O-N 3.29Å
324T97.5Very high97.5Very high55 Ų5531.6 Ų31.634%0.33716%0.156SC..Hα-helixtrans-55.5-47.5-165.8-60.40000112.9L272 D322 V328L272-T324 HydrophobicContact CD1-CG2 4.08Å; L272-T324 HydrophobicContact CD2-CG2 4.33Å; D322-T324 PolarHBondContact O-N 3.06Å; D322-T324 VanDerWaalsContact OD1-CB 3.25Å; D322-T324 WeakPolarHBondContact OD1-CB 3.23Å; D322-T324 PolarHBondContact OD1-N 2.92Å; D322-T324 PolarHBondContact OD1-OG1 2.93Å; D322-T324 PolarHBondContact OD2-OG1 2.79Å; T324-V328 PolarHBondContact O-N 3.04Å; T324-V328 VanDerWaalsContact O-N 3.11Å
325F98.5Very high97.6Very high2 Ų232.3 Ų32.31%0.00916%0.162CC..Hα-helixtrans-69.3-52.2-177.1-50.9-78.7000111.7H265 A268 V269 L272 F313 L316 S317 L320 S323 W327 V328 A329H265-F325 AromaticContact CD2-CE2 3.81Å; H265-F325 AromaticContact CD2-CZ 3.6Å; H265-F325 AromaticContact NE2-CZ 3.89Å; A268-F325 HydrophobicContact CB-CD1 3.66Å; A268-F325 HydrophobicContact CB-CE1 3.51Å; A268-F325 HydrophobicContact CB-CZ 4.3Å; V269-F325 HydrophobicContact CG2-CE1 4.21Å; V269-F325 HydrophobicContact CG2-CZ 3.91Å; L272-F325 HydrophobicContact CD1-CE1 3.88Å; L272-F325 HydrophobicContact CD1-CZ 4.47Å; L272-F325 HydrophobicContact CD2-CD1 3.94Å; L272-F325 HydrophobicContact CD2-CE1 4.08Å; L272-F325 HydrophobicContact CG-CD1 4.37Å; L272-F325 HydrophobicContact CG-CE1 4.01Å; F313-F325 HydrophobicContact CB-CB 3.87Å; F313-F325 HydrophobicContact CD2-CB 3.74Å; F313-F325 HydrophobicContact CD2-CD1 4.37Å; F313-F325 WeakPolarHBondContact CD2-O 3.41Å; F313-F325 HydrophobicContact CE2-CD1 4.43Å; F313-F325 HydrophobicContact CG-CB 4.04Å; L316-F325 HydrophobicContact CD2-CB 4.45Å; L316-F325 HydrophobicContact CD2-CD1 4.03Å; L316-F325 HydrophobicContact CD2-CD2 3.86Å; L316-F325 HydrophobicContact CD2-CE1 4.27Å; L316-F325 HydrophobicContact CD2-CE2 4.12Å; L316-F325 HydrophobicContact CD2-CG 3.83Å; L316-F325 HydrophobicContact CD2-CZ 4.32Å; L316-F325 HydrophobicContact CG-CD2 4.2Å; S317-F325 WeakPolarHBondContact OG-CB 3.42Å; S317-F325 PolarHBondContact OG-N 3.25Å; L320-F325 HydrophobicContact CD1-CD2 4.49Å; L320-F325 HydrophobicContact CD1-CE2 3.97Å; S323-F325 PolarHBondContact O-N 3.33Å; F325-W327 PolarHBondContact O-N 2.95Å; F325-V328 VanDerWaalsContact O-CG2 3.25Å; F325-V328 WeakPolarHBondContact O-CG2 3.18Å; F325-V328 PolarHBondContact O-N 2.93Å; F325-A329 PolarHBondContact O-N 3.37Å; F325-A329 VanDerWaalsContact O-N 3.12Å
326E98.1Very high97.6Very high5 Ų532.2 Ų32.22%0.02316%0.161CC..Hα-helixtrans-57.6-39.3175.9-167.5175.3159.400111.4L310 S317 R318 S323 A329 R330 W595L310-E326 HydrophobicContact CD1-CG 4.2Å; S317-E326 PolarHBondContact OG-N 2.62Å; R318-E326 IonicContact CZ-OE1 2.73Å; R318-E326 IonicContact CZ-OE2 3.75Å; R318-E326 IonicContact NE-OE1 2.64Å; R318-E326 IonicContact NE-OE2 3.68Å; R318-E326 PolarHBondContact NE-OE2 3.01Å; R318-E326 IonicContact NH2-OE1 3.69Å; R318-E326 PolarHBondContact NH2-OE1 3.21Å; R318-E326 IonicContact NH2-OE2 3.61Å; R318-E326 PolarHBondContact NH2-OE2 3.48Å; R318-E326 VanDerWaalsContact NH2-OE2 3.14Å; S323-E326 PolarHBondContact O-N 2.83Å; E326-A329 PolarHBondContact O-N 3.19Å; E326-R330 HydrophobicContact CG-CG 4.25Å; E326-R330 WeakPolarHBondContact O-CB 3.21Å; E326-R330 VanDerWaalsContact O-CG 3.3Å; E326-R330 WeakPolarHBondContact O-CG 3.22Å; E326-R330 PolarHBondContact O-N 2.99Å; E326-R330 IonicContact OE1-CZ 3.01Å; E326-R330 IonicContact OE1-NE 3.66Å; E326-R330 PolarHBondContact OE1-NE 2.85Å; E326-R330 IonicContact OE1-NH2 3.79Å; E326-R330 PolarHBondContact OE1-NH2 3.49Å; E326-W595 VanDerWaalsContact OE2-CH2 3.31Å; E326-W595 WeakPolarHBondContact OE2-CH2 3.4Å; E326-W595 WeakPolarHBondContact OE2-CZ2 3.48Å
327W97.8Very high97.6Very high158 Ų15833.7 Ų33.760%0.59817%0.167SC*.Hα-helixtrans-64.2-47.6179.3-17889.4000112.8S323 F325 A329 R330 R331S323-W327 WeakPolarHBondContact O-CB 3.3Å; S323-W327 PolarHBondContact O-N 3.29Å; F325-W327 PolarHBondContact O-N 2.95Å; W327-A329 VanDerWaalsContact C-N 3.34Å; W327-A329 PolarHBondContact O-N 3.42Å; W327-R330 PolarHBondContact O-N 3.05Å; W327-R331 WeakPolarHBondContact O-CB 3.48Å; W327-R331 PolarHBondContact O-N 2.8Å
328V98.2Very high97.6Very high12 Ų1239.8 Ų39.87%0.07320%0.199CC..Hα-helixtrans-65.3-38.7178.7-63.90000111.8L272 F275 F313 T324 F325 R331 A332L272-V328 HydrophobicContact CD2-CG1 4.46Å; L272-V328 HydrophobicContact CD2-CG2 3.93Å; F275-V328 HydrophobicContact CB-CB 4.35Å; F275-V328 HydrophobicContact CB-CG1 4.39Å; F275-V328 HydrophobicContact CD1-CB 3.69Å; F275-V328 HydrophobicContact CD1-CG2 4.1Å; F275-V328 HydrophobicContact CD2-CB 4.34Å; F275-V328 HydrophobicContact CD2-CG2 4.09Å; F275-V328 HydrophobicContact CE1-CB 3.93Å; F275-V328 HydrophobicContact CE1-CG2 3.97Å; F275-V328 HydrophobicContact CE2-CG2 3.97Å; F275-V328 HydrophobicContact CG-CB 3.88Å; F275-V328 HydrophobicContact CG-CG1 4.4Å; F275-V328 HydrophobicContact CG-CG2 4.13Å; F275-V328 HydrophobicContact CZ-CB 4.36Å; F275-V328 HydrophobicContact CZ-CG2 3.89Å; F313-V328 HydrophobicContact CD2-CG2 3.95Å; F313-V328 HydrophobicContact CE2-CG2 4.04Å; T324-V328 PolarHBondContact O-N 3.04Å; T324-V328 VanDerWaalsContact O-N 3.11Å; F325-V328 VanDerWaalsContact O-CG2 3.25Å; F325-V328 WeakPolarHBondContact O-CG2 3.18Å; F325-V328 PolarHBondContact O-N 2.93Å; V328-R331 PolarHBondContact O-N 3.43Å; V328-A332 PolarHBondContact O-N 3.23Å; V328-A332 VanDerWaalsContact O-N 3.07Å
329A98.6Very high97.7Very high1 Ų141.4 Ų41.41%0.00821%0.209CC..Hα-helixtrans-67.9-45.5177.900000111.9L309 L310 F313 F325 E326 W327 R331 A332 V333L309-A329 HydrophobicContact CB-CB 4.39Å; L310-A329 HydrophobicContact CB-CB 4.27Å; L310-A329 HydrophobicContact CD1-CB 4.1Å; F313-A329 HydrophobicContact CB-CB 3.94Å; F313-A329 HydrophobicContact CD2-CB 4.29Å; F313-A329 HydrophobicContact CG-CB 4.34Å; F325-A329 PolarHBondContact O-N 3.37Å; F325-A329 VanDerWaalsContact O-N 3.12Å; E326-A329 PolarHBondContact O-N 3.19Å; W327-A329 VanDerWaalsContact C-N 3.34Å; W327-A329 PolarHBondContact O-N 3.42Å; A329-R331 VanDerWaalsContact C-N 3.29Å; A329-R331 PolarHBondContact O-N 2.93Å; A329-A332 PolarHBondContact O-N 3.41Å; A329-V333 WeakPolarHBondContact O-CG2 3.23Å; A329-V333 PolarHBondContact O-N 3.44Å
330R98.1Very high97.8Very high33 Ų3342.1 Ų42.113%0.12521%0.209CC..Hα-helixtrans-60.7-37.4173.2-73.9-170.8-177.5-69.7-8.2112L310 E326 W327 V333 K334 D388L310-R330 HydrophobicContact CD1-CG 3.43Å; L310-R330 VanDerWaalsContact CD1-CG 3.43Å; L310-R330 HydrophobicContact CD2-CG 4.36Å; E326-R330 HydrophobicContact CG-CG 4.25Å; E326-R330 WeakPolarHBondContact O-CB 3.21Å; E326-R330 VanDerWaalsContact O-CG 3.3Å; E326-R330 WeakPolarHBondContact O-CG 3.22Å; E326-R330 PolarHBondContact O-N 2.99Å; E326-R330 IonicContact OE1-CZ 3.01Å; E326-R330 IonicContact OE1-NE 3.66Å; E326-R330 PolarHBondContact OE1-NE 2.85Å; E326-R330 IonicContact OE1-NH2 3.79Å; E326-R330 PolarHBondContact OE1-NH2 3.49Å; W327-R330 PolarHBondContact O-N 3.05Å; R330-V333 PolarHBondContact O-N 3.1Å; R330-K334 WeakPolarHBondContact O-CB 3.44Å; R330-K334 VanDerWaalsContact O-CG 3.27Å; R330-K334 WeakPolarHBondContact O-CG 3.12Å; R330-K334 PolarHBondContact O-N 3.01Å; R330-D388 IonicContact CZ-OD2 3.19Å; R330-D388 IonicContact NH1-OD1 3.71Å; R330-D388 PolarHBondContact NH1-OD1 2.91Å; R330-D388 IonicContact NH1-OD2 2.93Å; R330-D388 PolarHBondContact NH1-OD2 3.13Å; R330-D388 IonicContact NH2-OD2 2.66Å; R330-D388 PolarHBondContact NH2-OD2 3.23Å
331R98.2Very high97.9Very high85 Ų8539.6 Ų39.632%0.32120%0.196SC..Hα-helixtrans-61.9-43.7175.3-167.7-178.774.8152.6-2.7111.5F275 G281 W327 V328 A329 K334 A335F275-R331 PolarHBondContact O-NH2 2.97Å; G281-R331 VanDerWaalsContact CA-CZ 3.48Å; W327-R331 WeakPolarHBondContact O-CB 3.48Å; W327-R331 PolarHBondContact O-N 2.8Å; V328-R331 PolarHBondContact O-N 3.43Å; A329-R331 VanDerWaalsContact C-N 3.29Å; A329-R331 PolarHBondContact O-N 2.93Å; R331-K334 PolarHBondContact O-N 3.37Å; R331-A335 WeakPolarHBondContact O-CB 3.36Å; R331-A335 PolarHBondContact O-N 3.09Å
332A98.6Very high98Very high0 Ų046.1 Ų46.10%022%0.223CC..Hα-helixtrans-64.2-46.2177.500000112.4F275 A306 V328 A329 K334 A335 L336F275-A332 HydrophobicContact CE1-CB 4.2Å; A306-A332 WeakPolarHBondContact O-CB 3.33Å; V328-A332 PolarHBondContact O-N 3.23Å; V328-A332 VanDerWaalsContact O-N 3.07Å; A329-A332 PolarHBondContact O-N 3.41Å; A332-K334 PolarHBondContact O-N 3.36Å; A332-A335 PolarHBondContact O-N 2.66Å; A332-L336 WeakPolarHBondContact O-CG 3.23Å; A332-L336 PolarHBondContact O-N 3.34Å
333V98.6Very high98.1Very high4 Ų449.5 Ų49.52%0.02424%0.241CC..Hα-helixtrans-57.8-48.5175.2170.40000111.2G307 L310 A329 R330 A335 L336 W337 F372 L376 M391G307-V333 WeakPolarHBondContact O-CG2 3.49Å; L310-V333 HydrophobicContact CB-CG2 4.34Å; L310-V333 HydrophobicContact CD2-CG2 4.27Å; A329-V333 WeakPolarHBondContact O-CG2 3.23Å; A329-V333 PolarHBondContact O-N 3.44Å; R330-V333 PolarHBondContact O-N 3.1Å; V333-A335 VanDerWaalsContact C-N 3.34Å; V333-A335 PolarHBondContact O-N 2.93Å; V333-L336 PolarHBondContact O-N 3.2Å; V333-W337 VanDerWaalsContact O-CB 3.28Å; V333-W337 WeakPolarHBondContact O-CB 3.48Å; V333-W337 PolarHBondContact O-N 3.09Å; V333-F372 HydrophobicContact CG1-CE2 4.17Å; V333-L376 HydrophobicContact CG1-CD2 3.82Å; V333-M391 HydrophobicContact CG1-CE 3.83Å; V333-M391 HydrophobicContact CG1-SD 4.22Å
334K98.5Very high98.2Very high71 Ų7148.6 Ų48.631%0.30923%0.234SC..Hα-helixtrans-64.3-36.5177.6-70.1176.5-172.2-128.30112.7R330 R331 A332 W337 N338 E387R330-K334 WeakPolarHBondContact O-CB 3.44Å; R330-K334 VanDerWaalsContact O-CG 3.27Å; R330-K334 WeakPolarHBondContact O-CG 3.12Å; R330-K334 PolarHBondContact O-N 3.01Å; R331-K334 PolarHBondContact O-N 3.37Å; A332-K334 PolarHBondContact O-N 3.36Å; K334-W337 PolarHBondContact O-N 3Å; K334-N338 WeakPolarHBondContact O-CB 3.42Å; K334-N338 PolarHBondContact O-N 3.41Å; K334-N338 PolarHBondContact O-ND2 3.21Å; K334-N338 VanDerWaalsContact O-ND2 3.12Å; K334-E387 VanDerWaalsContact CE-OE1 3.27Å; K334-E387 WeakPolarHBondContact CE-OE1 3.15Å; K334-E387 WeakPolarHBondContact CE-OE2 3.29Å; K334-E387 IonicContact NZ-OE1 2.87Å; K334-E387 PolarHBondContact NZ-OE1 3.32Å; K334-E387 IonicContact NZ-OE2 2.65Å; K334-E387 PolarHBondContact NZ-OE2 2.68Å
335A98.5Very high98.2Very high16 Ų1646.8 Ų46.813%0.13223%0.226CC..Hα-helixtrans-63.8-48.3175.800000111.5T280 I282 R331 A332 V333 W337 N338 L339T280-A335 VanDerWaalsContact O-CB 3.26Å; T280-A335 WeakPolarHBondContact O-CB 3.4Å; I282-A335 HydrophobicContact CD1-CB 4.26Å; I282-A335 HydrophobicContact CG1-CB 3.59Å; R331-A335 WeakPolarHBondContact O-CB 3.36Å; R331-A335 PolarHBondContact O-N 3.09Å; A332-A335 PolarHBondContact O-N 2.66Å; V333-A335 VanDerWaalsContact C-N 3.34Å; V333-A335 PolarHBondContact O-N 2.93Å; A335-W337 PolarHBondContact O-N 3.34Å; A335-N338 PolarHBondContact O-N 2.84Å; A335-L339 WeakPolarHBondContact O-CG 3.34Å; A335-L339 PolarHBondContact O-N 2.9Å
336L98.6Very high98.2Very high0 Ų046.7 Ų46.70%023%0.226CC..Hα-helixtrans-58.8-45.9173.1-71.3166.6000111.8I282 A306 A332 V333 N338 L339 L347 V351 W358 F372I282-L336 HydrophobicContact CD1-CD2 3.89Å; I282-L336 HydrophobicContact CD1-CG 4.22Å; I282-L336 HydrophobicContact CG1-CD2 4.48Å; I282-L336 HydrophobicContact CG1-CG 4.38Å; I282-L336 HydrophobicContact CG2-CD2 4.45Å; A306-L336 HydrophobicContact CB-CD1 4.07Å; A332-L336 WeakPolarHBondContact O-CG 3.23Å; A332-L336 PolarHBondContact O-N 3.34Å; V333-L336 PolarHBondContact O-N 3.2Å; L336-N338 VanDerWaalsContact C-N 3.29Å; L336-N338 PolarHBondContact O-N 3.28Å; L336-L339 PolarHBondContact O-N 3.23Å; L336-L347 HydrophobicContact CB-CD2 4.03Å; L336-L347 WeakPolarHBondContact O-CD2 3.47Å; L336-V351 HydrophobicContact CD2-CG1 4Å; L336-W358 HydrophobicContact CD2-CH2 4.27Å; L336-F372 HydrophobicContact CB-CE2 4.3Å; L336-F372 HydrophobicContact CB-CZ 4.48Å; L336-F372 HydrophobicContact CD1-CD2 4.36Å; L336-F372 HydrophobicContact CD1-CE2 4.2Å
337W98.4Very high98.2Very high31 Ų3146.5 Ų46.512%0.11723%0.225CC..Hα-helixtrans-58.5-38.1179.9-172.1-111.1000113.3V333 K334 A335 L339 R340 F372 L376 M391 A394 A395V333-W337 VanDerWaalsContact O-CB 3.28Å; V333-W337 WeakPolarHBondContact O-CB 3.48Å; V333-W337 PolarHBondContact O-N 3.09Å; K334-W337 PolarHBondContact O-N 3Å; A335-W337 PolarHBondContact O-N 3.34Å; W337-L339 VanDerWaalsContact C-N 3.26Å; W337-L339 PolarHBondContact O-N 2.95Å; W337-R340 VanDerWaalsContact CD2-NE 3.28Å; W337-R340 VanDerWaalsContact CH2-CZ 3.47Å; W337-R340 VanDerWaalsContact CZ2-NH2 3.32Å; W337-R340 VanDerWaalsContact NE1-NH2 3.19Å; W337-R340 WeakPolarHBondContact O-CG 3.34Å; W337-R340 PolarHBondContact O-NE 3.47Å; W337-F372 HydrophobicContact CE3-CE1 4.47Å; W337-F372 HydrophobicContact CE3-CZ 4.25Å; W337-L376 HydrophobicContact CE3-CD1 4.46Å; W337-L376 HydrophobicContact CZ3-CD1 4.11Å; W337-M391 HydrophobicContact CB-SD 3.99Å; W337-M391 HydrophobicContact CD2-CB 4.06Å; W337-M391 HydrophobicContact CD2-CG 3.65Å; W337-M391 HydrophobicContact CD2-SD 3.66Å; W337-M391 VanDerWaalsContact CE2-CG 3.41Å; W337-M391 HydrophobicContact CE3-CB 4.05Å; W337-M391 HydrophobicContact CE3-CG 4.15Å; W337-M391 HydrophobicContact CE3-SD 4.2Å; W337-M391 HydrophobicContact CG-CG 4.06Å; W337-M391 HydrophobicContact CG-SD 3.54Å; W337-M391 VanDerWaalsContact CG-SD 3.54Å; W337-M391 VanDerWaalsContact CH2-CA 3.49Å; W337-M391 HydrophobicContact CH2-CB 3.86Å; W337-M391 HydrophobicContact CH2-CG 4.32Å; W337-M391 WeakPolarHBondContact CH2-O 3.14Å; W337-M391 VanDerWaalsContact CZ2-CA 3.45Å; W337-M391 HydrophobicContact CZ2-CB 3.8Å; W337-M391 HydrophobicContact CZ2-CG 3.78Å; W337-M391 HydrophobicContact CZ3-CB 3.96Å; W337-M391 HydrophobicContact CZ3-CG 4.46Å; W337-A394 HydrophobicContact CH2-CB 3.91Å; W337-A394 HydrophobicContact CZ2-CB 4Å; W337-A395 HydrophobicContact CH2-CB 4.33Å; W337-A395 HydrophobicContact CZ3-CB 4.16Å
338N98.3Very high98.2Very high128 Ų12839 Ų3968%0.68420%0.197SC*.THydrogen-bonded Turntrans-77.1-8.7178.7-69.9-26.8000113.8K334 A335 L336K334-N338 WeakPolarHBondContact O-CB 3.42Å; K334-N338 PolarHBondContact O-N 3.41Å; K334-N338 PolarHBondContact O-ND2 3.21Å; K334-N338 VanDerWaalsContact O-ND2 3.12Å; A335-N338 PolarHBondContact O-N 2.84Å; L336-N338 VanDerWaalsContact C-N 3.29Å; L336-N338 PolarHBondContact O-N 3.28Å
339L98.3Very high98.2Very high48 Ų4840.2 Ų40.225%0.25120%0.203SC..THydrogen-bonded Turntrans-95.53.5176.9-65.7175.4000113.6I282 A335 L336 W337 V351 W358I282-L339 HydrophobicContact CD1-CD1 3.74Å; A335-L339 WeakPolarHBondContact O-CG 3.34Å; A335-L339 PolarHBondContact O-N 2.9Å; L336-L339 PolarHBondContact O-N 3.23Å; W337-L339 VanDerWaalsContact C-N 3.26Å; W337-L339 PolarHBondContact O-N 2.95Å; L339-V351 HydrophobicContact CD1-CG2 3.82Å; L339-W358 HydrophobicContact CB-CZ2 3.76Å; L339-W358 PolarHBondContact O-NE1 3.29Å
340R98.3Very high98.1Very high62 Ų6241.3 Ų41.323%0.23421%0.209CC..SBendtrans-58152.4177.1-74.7173.2-48.4128.54.9112.5W337 N342 G345 L346 L347W337-R340 VanDerWaalsContact CD2-NE 3.28Å; W337-R340 VanDerWaalsContact CH2-CZ 3.47Å; W337-R340 VanDerWaalsContact CZ2-NH2 3.32Å; W337-R340 VanDerWaalsContact NE1-NH2 3.19Å; W337-R340 WeakPolarHBondContact O-CG 3.34Å; W337-R340 PolarHBondContact O-NE 3.47Å; R340-N342 PolarHBondContact O-N 3.1Å; R340-G345 VanDerWaalsContact CD-O 3.29Å; R340-G345 WeakPolarHBondContact CD-O 3.35Å; R340-L346 WeakPolarHBondContact CA-O 3.38Å; R340-L347 HydrophobicContact CG-CD1 3.54Å; R340-L347 HydrophobicContact CG-CD2 4.3Å; R340-L347 HydrophobicContact CG-CG 3.54Å
341S98.3Very high98.1Very high6 Ų639.7 Ų39.74%0.04220%0.203CC..  trans-61.8128.4170.8174.40000110.6D343 T344 G345 L346 M425S341-D343 PolarHBondContact O-N 3.48Å; S341-D343 PolarHBondContact OG-N 2.6Å; S341-T344 VanDerWaalsContact CB-OG1 3.23Å; S341-T344 WeakPolarHBondContact CB-OG1 3.28Å; S341-T344 PolarHBondContact OG-OG1 3.32Å; S341-G345 VanDerWaalsContact O-CA 3.32Å; S341-G345 WeakPolarHBondContact O-CA 3.26Å; S341-G345 PolarHBondContact O-N 3.17Å; S341-L346 PolarHBondContact N-O 2.81Å; S341-M425 VanDerWaalsContact CB-O 3.31Å; S341-M425 WeakPolarHBondContact CB-O 3.34Å; S341-M425 PolarHBondContact OG-O 3.42Å
342N97.1Very high98.1Very high169 Ų16937.1 Ų37.190%0.90420%0.196SC*.THydrogen-bonded Turntrans-65.7-25175.9-71.6-25.3000112.9R340R340-N342 PolarHBondContact O-N 3.1Å
343D97.1Very high98.1Very high126 Ų12637.1 Ų37.167%0.67420%0.196SC*.THydrogen-bonded Turntrans-86.6-29.6-175.1-58.2-55.4000112.9S341 Y402S341-D343 PolarHBondContact O-N 3.48Å; S341-D343 PolarHBondContact OG-N 2.6Å; D343-Y402 PolarHBondContact O-OH 3.44Å
344T98.4Very high98Very high9 Ų938.7 Ų38.76%0.05520%0.203CC..THydrogen-bonded Turntrans-125.3-16.4-171.564.20000114.5S341 L346 S398 Y402 M425 F426S341-T344 VanDerWaalsContact CB-OG1 3.23Å; S341-T344 WeakPolarHBondContact CB-OG1 3.28Å; S341-T344 PolarHBondContact OG-OG1 3.32Å; T344-L346 PolarHBondContact O-N 3.04Å; T344-L346 WeakPolarHBondContact OG1-CB 3.32Å; T344-L346 PolarHBondContact OG1-N 3.14Å; T344-S398 WeakPolarHBondContact O-CB 3.44Å; T344-S398 PolarHBondContact O-OG 3.2Å; T344-Y402 HydrophobicContact CG2-CD1 4.21Å; T344-Y402 HydrophobicContact CG2-CE1 3.91Å; T344-Y402 HydrophobicContact CG2-CE2 4.29Å; T344-Y402 WeakPolarHBondContact O-CD2 3.43Å; T344-Y402 WeakPolarHBondContact O-CE2 3.31Å; T344-M425 PolarHBondContact OG1-O 3.48Å; T344-F426 WeakPolarHBondContact CG2-O 3.39Å
345G98.3Very high98Very high16 Ų1639 Ų3917%0.16521%0.21CC..  trans723.6-170.700000115.2R340 S341R340-G345 VanDerWaalsContact CD-O 3.29Å; R340-G345 WeakPolarHBondContact CD-O 3.35Å; S341-G345 VanDerWaalsContact O-CA 3.32Å; S341-G345 WeakPolarHBondContact O-CA 3.26Å; S341-G345 PolarHBondContact O-N 3.17Å
346L98.6Very high97.9Very high1 Ų138.6 Ų38.61%0.00521%0.208CC..  trans-82.6153.1-177-63.8175.7000113.4R340 S341 T344 Y402 L403 V423 M425R340-L346 WeakPolarHBondContact CA-O 3.38Å; S341-L346 PolarHBondContact N-O 2.81Å; T344-L346 PolarHBondContact O-N 3.04Å; T344-L346 WeakPolarHBondContact OG1-CB 3.32Å; T344-L346 PolarHBondContact OG1-N 3.14Å; L346-Y402 HydrophobicContact CD1-CG 4.34Å; L346-L403 HydrophobicContact CD1-CD2 4.44Å; L346-V423 HydrophobicContact CD1-CG2 3.68Å; L346-M425 HydrophobicContact CB-CB 4.15Å; L346-M425 WeakPolarHBondContact O-CE 3.37Å
347L98.4Very high97.9Very high1 Ų144.9 Ų44.91%0.00524%0.237CC..  trans-96.7157.7166.3-65.293.4000110.5T303 L336 R340 W358 S363 L369 F372T303-L347 HydrophobicContact CG2-CB 4.3Å; T303-L347 HydrophobicContact CG2-CD2 3.68Å; T303-L347 HydrophobicContact CG2-CG 4.49Å; L336-L347 HydrophobicContact CB-CD2 4.03Å; L336-L347 WeakPolarHBondContact O-CD2 3.47Å; R340-L347 HydrophobicContact CG-CD1 3.54Å; R340-L347 HydrophobicContact CG-CD2 4.3Å; R340-L347 HydrophobicContact CG-CG 3.54Å; L347-W358 HydrophobicContact CB-CH2 3.92Å; L347-W358 HydrophobicContact CB-CZ2 4.12Å; L347-W358 HydrophobicContact CD2-CH2 4.03Å; L347-W358 HydrophobicContact CD2-CZ2 4.23Å; L347-W358 HydrophobicContact CG-CH2 4.37Å; L347-W358 HydrophobicContact CG-CZ2 4.37Å; L347-S363 WeakPolarHBondContact O-CB 3.45Å; L347-S363 PolarHBondContact O-OG 3.38Å; L347-L369 HydrophobicContact CB-CD2 4.17Å; L347-F372 HydrophobicContact CD1-CD1 4.38Å; L347-F372 HydrophobicContact CD1-CE1 3.73Å; L347-F372 HydrophobicContact CD2-CE1 3.89Å; L347-F372 HydrophobicContact CD2-CZ 4.1Å; L347-F372 HydrophobicContact CG-CE1 4.49Å
348G97.9Very high97.8Very high0 Ų044.5 Ų44.50%024%0.236CC..  trans-84.4177.3165.500000111.6T303 W358 G360 Q362 M425T303-G348 PolarHBondContact OG1-O 2.69Å; G348-W358 VanDerWaalsContact C-CZ3 3.42Å; G348-W358 VanDerWaalsContact CA-CE3 3.43Å; G348-W358 WeakPolarHBondContact O-CZ3 3.25Å; G348-G360 WeakPolarHBondContact CA-O 3.47Å; G348-Q362 CarbonylContact C-O 3.58Å; G348-M425 VanDerWaalsContact CA-SD 3.53Å; G348-M425 PolarHBondContact N-SD 2.95Å; G348-M425 VanDerWaalsContact N-SD 3.37Å
349N96.7Very high97.8Very high37 Ų3741.9 Ų41.920%0.19822%0.224CC..SBendtrans-93-21.7179.969.1-51.7000114C302 T303 G360 K361 Q362 L369C302-N349 WeakPolarHBondContact CA-O 3.33Å; C302-N349 VanDerWaalsContact CB-O 3.24Å; C302-N349 WeakPolarHBondContact CB-O 3.37Å; T303-N349 PolarHBondContact N-O 2.95Å; N349-G360 PolarHBondContact N-O 3.5Å; N349-G360 VanDerWaalsContact N-O 3.11Å; N349-G360 WeakPolarHBondContact OD1-CA 3.34Å; N349-G360 PolarHBondContact OD1-O 3.12Å; N349-K361 PolarHBondContact OD1-N 3.42Å; N349-Q362 WeakPolarHBondContact CB-O 3.44Å; N349-Q362 PolarHBondContact N-O 3.45Å; N349-Q362 PolarHBondContact OD1-N 2.83Å; N349-Q362 PolarHBondContact OD1-O 3.47Å; N349-L369 HydrophobicContact CB-CD1 3.57Å; N349-L369 HydrophobicContact CB-CG 4.46Å
350V97.9Very high97.7Very high24 Ų2439.9 Ų39.915%0.14522%0.215CC..EExtended strand (participates in β ladder)trans-141125.8179-177.40000111.4E300 T301 V359 G360E300-V350 HydrophobicContact CB-CG1 3.88Å; T301-V350 CarbonylContact O-C 3.29Å; T301-V350 WeakPolarHBondContact O-CA 3.19Å; V350-V359 HydrophobicContact CG1-CB 4.33Å; V350-V359 PolarHBondContact O-N 3.41Å; V350-G360 PolarHBondContact N-O 2.77Å; V350-G360 PolarHBondContact O-N 3.11Å
351V98.1Very high97.7Very high0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-119.4142.5-178.164.90000111.4I282 E300 T301 L336 L339 W358I282-V351 HydrophobicContact CD1-CG1 4.09Å; I282-V351 HydrophobicContact CD1-CG2 4.26Å; I282-V351 HydrophobicContact CG2-CG1 4.36Å; E300-V351 WeakPolarHBondContact CA-O 3.44Å; T301-V351 HydrophobicContact CG2-CG1 3.93Å; T301-V351 PolarHBondContact N-O 3.43Å; T301-V351 PolarHBondContact O-N 2.94Å; L336-V351 HydrophobicContact CD2-CG1 4Å; L339-V351 HydrophobicContact CD1-CG2 3.82Å; V351-W358 HydrophobicContact CB-CD2 4.4Å; V351-W358 HydrophobicContact CB-CE3 3.8Å; V351-W358 HydrophobicContact CB-CH2 4.23Å; V351-W358 HydrophobicContact CB-CZ3 3.7Å; V351-W358 HydrophobicContact CG1-CZ3 4.38Å; V351-W358 HydrophobicContact CG2-CE3 4.41Å; V351-W358 HydrophobicContact CG2-CZ3 4.48Å
352N98.3Very high97.7Very high30 Ų3042.6 Ų42.616%0.1623%0.228CC..EExtended strand (participates in β ladder)trans-85.2114.4169.5179.1-81000110.7N299 Q354 T355 G356 H357 V359N299-N352 CarbonylContact O-C 3.59Å; N299-N352 VanDerWaalsContact O-CA 3.29Å; N299-N352 WeakPolarHBondContact O-CA 3.38Å; N352-Q354 PolarHBondContact O-N 3.21Å; N352-Q354 VanDerWaalsContact O-N 3.14Å; N352-Q354 PolarHBondContact OD1-N 2.7Å; N352-T355 WeakPolarHBondContact CB-OG1 3.31Å; N352-T355 VanDerWaalsContact CG-OG1 3.3Å; N352-T355 PolarHBondContact O-N 3.08Å; N352-T355 PolarHBondContact OD1-N 3.12Å; N352-T355 VanDerWaalsContact OD1-N 3.09Å; N352-T355 PolarHBondContact OD1-OG1 3.07Å; N352-G356 WeakPolarHBondContact O-CA 3.43Å; N352-G356 PolarHBondContact O-N 2.94Å; N352-H357 PolarHBondContact N-O 2.92Å; N352-V359 HydrophobicContact CB-CG2 4.16Å
353I97.4Very high97.7Very high0 Ų034.5 Ų34.50%019%0.185CC..THydrogen-bonded Turntrans-68-15.7-17175-171.9000114.3T278 T280 I282 Y284 N299 T301T278-I353 HydrophobicContact CG2-CD1 3.83Å; T278-I353 HydrophobicContact CG2-CG1 4.27Å; T280-I353 WeakPolarHBondContact CB-O 3.07Å; T280-I353 VanDerWaalsContact CG2-O 3.23Å; T280-I353 WeakPolarHBondContact CG2-O 3.24Å; T280-I353 PolarHBondContact N-O 3.28Å; T280-I353 PolarHBondContact OG1-O 3.29Å; I282-I353 HydrophobicContact CB-CB 4.33Å; I282-I353 HydrophobicContact CB-CG2 4.16Å; I282-I353 HydrophobicContact CG2-CG2 3.84Å; Y284-I353 HydrophobicContact CD1-CD1 3.37Å; Y284-I353 HydrophobicContact CD2-CD1 4.01Å; Y284-I353 HydrophobicContact CE1-CD1 3.59Å; Y284-I353 HydrophobicContact CE2-CD1 4.17Å; Y284-I353 HydrophobicContact CG-CD1 3.61Å; N299-I353 HydrophobicContact CB-CG1 4.38Å; N299-I353 WeakPolarHBondContact O-CG1 3.4Å; N299-I353 PolarHBondContact O-N 3.32Å; T301-I353 HydrophobicContact CG2-CG2 3.55Å
354Q96.7Very high97.7Very high38 Ų3828.5 Ų28.518%0.17815%0.153CC..THydrogen-bonded Turntrans-94.4-16.8-179.9-64.4-62.7-10.300113.4N277 K279 Y284 N299 N352N277-Q354 PolarHBondContact O-NE2 3.32Å; K279-Q354 WeakPolarHBondContact CD-O 3.47Å; Y284-Q354 PolarHBondContact OH-NE2 3.14Å; N299-Q354 HydrophobicContact CB-CG 4.26Å; N299-Q354 WeakPolarHBondContact OD1-CG 3.21Å; N352-Q354 PolarHBondContact O-N 3.21Å; N352-Q354 VanDerWaalsContact O-N 3.14Å; N352-Q354 PolarHBondContact OD1-N 2.7Å
355T97.6Very high97.7Very high76 Ų7628.1 Ų28.147%0.46615%0.151SC..THydrogen-bonded Turntrans-125.7-18.8-175.657.90000113.8N352 H357N352-T355 WeakPolarHBondContact CB-OG1 3.31Å; N352-T355 VanDerWaalsContact CG-OG1 3.3Å; N352-T355 PolarHBondContact O-N 3.08Å; N352-T355 PolarHBondContact OD1-N 3.12Å; N352-T355 VanDerWaalsContact OD1-N 3.09Å; N352-T355 PolarHBondContact OD1-OG1 3.07Å; T355-H357 PolarHBondContact O-N 3.43Å; T355-H357 PolarHBondContact OG1-N 3.39Å
356G97.4Very high97.5Very high8 Ų827.5 Ų27.58%0.08214%0.144CC..  trans72.17.5-171.200000113.7N352N352-G356 WeakPolarHBondContact O-CA 3.43Å; N352-G356 PolarHBondContact O-N 2.94Å
357H97.7Very high97.3Very high133 Ų13329.8 Ų29.862%0.61616%0.163SC*.  trans-81132.3-179.8-67.6-38.8000112.3N352 T355 V359N352-H357 PolarHBondContact N-O 2.92Å; T355-H357 PolarHBondContact O-N 3.43Å; T355-H357 PolarHBondContact OG1-N 3.39Å; H357-V359 PolarHBondContact O-N 2.87Å
358W97.9Very high97.1Very high23 Ų2330.4 Ų30.49%0.08717%0.169CC..EExtended strand (participates in β ladder)trans-72108.6171.6-63.5104.7000111.4T303 L336 L339 L347 G348 V351 K361 M425T303-W358 WeakPolarHBondContact OG1-CH2 3.46Å; T303-W358 VanDerWaalsContact OG1-CZ3 3.3Å; T303-W358 WeakPolarHBondContact OG1-CZ3 3.49Å; L336-W358 HydrophobicContact CD2-CH2 4.27Å; L339-W358 HydrophobicContact CB-CZ2 3.76Å; L339-W358 PolarHBondContact O-NE1 3.29Å; L347-W358 HydrophobicContact CB-CH2 3.92Å; L347-W358 HydrophobicContact CB-CZ2 4.12Å; L347-W358 HydrophobicContact CD2-CH2 4.03Å; L347-W358 HydrophobicContact CD2-CZ2 4.23Å; L347-W358 HydrophobicContact CG-CH2 4.37Å; L347-W358 HydrophobicContact CG-CZ2 4.37Å; G348-W358 VanDerWaalsContact C-CZ3 3.42Å; G348-W358 VanDerWaalsContact CA-CE3 3.43Å; G348-W358 WeakPolarHBondContact O-CZ3 3.25Å; V351-W358 HydrophobicContact CB-CD2 4.4Å; V351-W358 HydrophobicContact CB-CE3 3.8Å; V351-W358 HydrophobicContact CB-CH2 4.23Å; V351-W358 HydrophobicContact CB-CZ3 3.7Å; V351-W358 HydrophobicContact CG1-CZ3 4.38Å; V351-W358 HydrophobicContact CG2-CE3 4.41Å; V351-W358 HydrophobicContact CG2-CZ3 4.48Å; W358-K361 HydrophobicContact CB-CG 4.31Å; W358-K361 WeakPolarHBondContact O-CE 3.26Å; W358-M425 HydrophobicContact CB-SD 3.85Å; W358-M425 HydrophobicContact CD2-CE 4.14Å; W358-M425 HydrophobicContact CD2-SD 3.92Å; W358-M425 HydrophobicContact CG-CE 3.95Å; W358-M425 HydrophobicContact CG-SD 3.51Å; W358-M425 VanDerWaalsContact CG-SD 3.51Å
359V96.9Very high97.1Very high72 Ų7230.6 Ų30.644%0.43617%0.17SC..EExtended strand (participates in β ladder)trans-79.4-47.7171.6-177.30000109E300 V350 N352 H357E300-V359 HydrophobicContact CG-CG2 4.26Å; V350-V359 HydrophobicContact CG1-CB 4.33Å; V350-V359 PolarHBondContact O-N 3.41Å; N352-V359 HydrophobicContact CB-CG2 4.16Å; H357-V359 PolarHBondContact O-N 2.87Å
360G96.8Very high97.2Very high6 Ų629.7 Ų29.76%0.06217%0.166CC..EExtended strand (participates in β ladder)trans-92.9114.3170.700000110.3G348 N349 V350G348-G360 WeakPolarHBondContact CA-O 3.47Å; N349-G360 PolarHBondContact N-O 3.5Å; N349-G360 VanDerWaalsContact N-O 3.11Å; N349-G360 WeakPolarHBondContact OD1-CA 3.34Å; N349-G360 PolarHBondContact OD1-O 3.12Å; V350-G360 PolarHBondContact N-O 2.77Å; V350-G360 PolarHBondContact O-N 3.11Å
361K97.8Very high97.2Very high96 Ų9628.6 Ų28.642%0.41716%0.159SC..  trans-104.35.8-175.4-58.4178.9-179.4-178.30113.5N349 W358 M425 F426N349-K361 PolarHBondContact OD1-N 3.42Å; W358-K361 HydrophobicContact CB-CG 4.31Å; W358-K361 WeakPolarHBondContact O-CE 3.26Å; K361-M425 HydrophobicContact CB-CG 4.32Å; K361-M425 PolarHBondContact O-N 3.49Å; K361-F426 HydrophobicContact CD-CD2 4.3Å; K361-F426 HydrophobicContact CD-CE2 3.89Å; K361-F426 HydrophobicContact CG-CE2 4.07Å
362Q98Very high97.2Very high29 Ų2928.7 Ų28.714%0.13616%0.16CC..EExtended strand (participates in β ladder)trans-74.6134.9172.6-175.6171.8-5400108.4G348 N349 N422 V423 M431 N432 W434G348-Q362 CarbonylContact C-O 3.58Å; N349-Q362 WeakPolarHBondContact CB-O 3.44Å; N349-Q362 PolarHBondContact N-O 3.45Å; N349-Q362 PolarHBondContact OD1-N 2.83Å; N349-Q362 PolarHBondContact OD1-O 3.47Å; Q362-N422 HydrophobicContact CG-CB 4.05Å; Q362-N422 PolarHBondContact NE2-ND2 3.16Å; Q362-N422 PolarHBondContact NE2-OD1 2.97Å; Q362-V423 WeakPolarHBondContact CA-O 3.44Å; Q362-M431 HydrophobicContact CB-CE 3.95Å; Q362-M431 HydrophobicContact CB-SD 4.12Å; Q362-N432 VanDerWaalsContact CD-ND2 3.35Å; Q362-N432 PolarHBondContact NE2-ND2 3.45Å; Q362-N432 PolarHBondContact OE1-ND2 2.73Å; Q362-W434 VanDerWaalsContact NE2-CH2 3.29Å
363S98.3Very high97.2Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-120.9141.5170.3-154.80000108.2L347 N422 V423L347-S363 WeakPolarHBondContact O-CB 3.45Å; L347-S363 PolarHBondContact O-OG 3.38Å; S363-N422 CarbonylContact O-C 3.48Å; S363-N422 WeakPolarHBondContact O-CA 3.19Å; S363-V423 PolarHBondContact N-O 2.9Å; S363-V423 PolarHBondContact O-N 3.43Å
364G97.5Very high97.3Very high0 Ų027.5 Ų27.50%015%0.153CC..SBendtrans-178.8179.4-170.200000109.5L369G364-L369 WeakPolarHBondContact O-CB 3.4Å
365L97.3Very high97.3Very high1 Ų125.9 Ų25.91%0.00515%0.145CC..SBendtrans-90.2-4.5177.2-61.3-178.9000113.5D370 Y373 I399 L403 Y420 Q439 F441 F442L365-D370 WeakPolarHBondContact O-CA 3.48Å; L365-D370 WeakPolarHBondContact O-CB 3.39Å; L365-Y373 HydrophobicContact CD2-CE2 4.49Å; L365-I399 HydrophobicContact CD2-CD1 3.9Å; L365-I399 HydrophobicContact CD2-CG1 4.16Å; L365-I399 HydrophobicContact CD2-CG2 3.91Å; L365-L403 HydrophobicContact CD2-CD1 3.94Å; L365-L403 HydrophobicContact CG-CD1 4.17Å; L365-Y420 VanDerWaalsContact CD1-CB 3.42Å; L365-Y420 HydrophobicContact CD1-CD1 3.75Å; L365-Y420 HydrophobicContact CD1-CD2 4.18Å; L365-Y420 HydrophobicContact CD1-CG 3.51Å; L365-Q439 HydrophobicContact CB-CB 4.44Å; L365-Q439 HydrophobicContact CB-CG 4.02Å; L365-F441 WeakPolarHBondContact O-CE1 3.03Å; L365-F442 HydrophobicContact CD1-CB 3.98Å; L365-F442 HydrophobicContact CD1-CD1 3.48Å; L365-F442 VanDerWaalsContact CD1-CD1 3.48Å; L365-F442 HydrophobicContact CD1-CD2 3.94Å; L365-F442 HydrophobicContact CD1-CE1 3.81Å; L365-F442 HydrophobicContact CD1-CE2 4.25Å; L365-F442 HydrophobicContact CD1-CG 3.54Å; L365-F442 HydrophobicContact CD1-CZ 4.19Å; L365-F442 HydrophobicContact CD2-CD2 3.83Å; L365-F442 HydrophobicContact CD2-CE1 4.44Å; L365-F442 HydrophobicContact CD2-CE2 3.65Å; L365-F442 HydrophobicContact CD2-CG 4.32Å; L365-F442 HydrophobicContact CD2-CZ 3.97Å; L365-F442 HydrophobicContact CG-CD2 4.39Å; L365-F442 HydrophobicContact CG-CG 4.43Å
366G94.6Very high97.4Very high3 Ų322.3 Ų22.33%0.03112%0.124CC..SBendtrans-99.5-163.4-165.900000114.9G368 L369 D370 D436G366-G368 PolarHBondContact O-N 2.78Å; G366-G368 VanDerWaalsContact O-N 3.08Å; G366-L369 PolarHBondContact O-N 3.14Å; G366-D370 PolarHBondContact O-N 3.45Å; G366-D436 WeakPolarHBondContact CA-OD1 3.42Å; G366-D436 WeakPolarHBondContact CA-OD2 3.37Å
367A94.1Very high97.4Very high49 Ų4922.4 Ų22.441%0.40512%0.122SC..THydrogen-bonded Turntrans-34.3107.5-175.600000113.7D370 D436 L438A367-D370 WeakPolarHBondContact CA-OD2 3.46Å; A367-D370 PolarHBondContact N-OD2 2.79Å; A367-D436 PolarHBondContact N-OD1 3.11Å; A367-L438 HydrophobicContact CB-CD1 4.43Å; A367-L438 HydrophobicContact CB-CD2 4.27Å
368G95.1Very high97.4Very high13 Ų1316.3 Ų16.313%0.1349%0.094CC..THydrogen-bonded Turntrans99.61.6175.200000115.6T303 A304 G366 D370T303-G368 WeakPolarHBondContact CB-O 3.44Å; T303-G368 PolarHBondContact N-O 2.83Å; T303-G368 VanDerWaalsContact N-O 3.14Å; A304-G368 PolarHBondContact N-O 2.76Å; G366-G368 PolarHBondContact O-N 2.78Å; G366-G368 VanDerWaalsContact O-N 3.08Å; G368-D370 PolarHBondContact N-OD2 3.34Å
369L97.7Very high97.4Very high4 Ų415.2 Ų15.22%0.0219%0.09CC..THydrogen-bonded Turntrans-128.4-41.8166.6-69.6112.3000112.8L347 N349 G364 G366 S371 F372 Y373L347-L369 HydrophobicContact CB-CD2 4.17Å; N349-L369 HydrophobicContact CB-CD1 3.57Å; N349-L369 HydrophobicContact CB-CG 4.46Å; G364-L369 WeakPolarHBondContact O-CB 3.4Å; G366-L369 PolarHBondContact O-N 3.14Å; L369-S371 PolarHBondContact O-N 2.76Å; L369-F372 VanDerWaalsContact O-CB 3.3Å; L369-F372 WeakPolarHBondContact O-CB 3.4Å; L369-F372 PolarHBondContact O-N 2.74Å; L369-Y373 HydrophobicContact CB-CE2 3.83Å; L369-Y373 HydrophobicContact CD2-CE2 4.35Å; L369-Y373 WeakPolarHBondContact CD2-OH 3.5Å
370D97.4Very high97.4Very high18 Ų1815.2 Ų15.210%0.0968%0.082CC..Hα-helixtrans-8.9-84.8169.840.342.4000116.5A304 L365 G366 A367 G368 F372 Y373 F441A304-D370 WeakPolarHBondContact CB-OD1 3.47Å; L365-D370 WeakPolarHBondContact O-CA 3.48Å; L365-D370 WeakPolarHBondContact O-CB 3.39Å; G366-D370 PolarHBondContact O-N 3.45Å; A367-D370 WeakPolarHBondContact CA-OD2 3.46Å; A367-D370 PolarHBondContact N-OD2 2.79Å; G368-D370 PolarHBondContact N-OD2 3.34Å; D370-F372 PolarHBondContact O-N 3.32Å; D370-Y373 PolarHBondContact O-N 3.3Å; D370-F441 HydrophobicContact CB-CD1 4.32Å; D370-F441 HydrophobicContact CB-CE1 3.84Å; D370-F441 HydrophobicContact CB-CZ 4.12Å; D370-F441 VanDerWaalsContact O-CZ 3.3Å; D370-F441 WeakPolarHBondContact O-CZ 3.5Å
371S98.3Very high97.3Very high2 Ų216.9 Ų16.91%0.0149%0.089CC..Hα-helixtrans-72.5-13.2-168.957.50000113.8S308 L369 E374 Y375 T579S308-S371 WeakPolarHBondContact CB-OG 3.45Å; S308-S371 WeakPolarHBondContact OG-CB 3.2Å; S308-S371 PolarHBondContact OG-O 3.07Å; S308-S371 PolarHBondContact OG-OG 3.24Å; L369-S371 PolarHBondContact O-N 2.76Å; S371-E374 WeakPolarHBondContact O-CB 3.29Å; S371-E374 PolarHBondContact O-N 3.13Å; S371-Y375 WeakPolarHBondContact O-CB 3.43Å; S371-Y375 PolarHBondContact O-N 3.43Å; S371-T579 VanDerWaalsContact CB-OG1 3.27Å; S371-T579 WeakPolarHBondContact CB-OG1 3.37Å
372F98.6Very high97.2Very high1 Ų112.3 Ų12.30%0.0047%0.07CC..Hα-helixtrans-63.5-45.7170.7173.2-105.1000110.6T303 S308 V333 L336 W337 L347 L369 D370 E374 Y375 L376T303-F372 HydrophobicContact CG2-CB 3.98Å; T303-F372 HydrophobicContact CG2-CD1 3.86Å; T303-F372 HydrophobicContact CG2-CD2 4.25Å; T303-F372 HydrophobicContact CG2-CE1 4.41Å; T303-F372 HydrophobicContact CG2-CG 3.76Å; S308-F372 PolarHBondContact OG-N 2.64Å; V333-F372 HydrophobicContact CG1-CE2 4.17Å; L336-F372 HydrophobicContact CB-CE2 4.3Å; L336-F372 HydrophobicContact CB-CZ 4.48Å; L336-F372 HydrophobicContact CD1-CD2 4.36Å; L336-F372 HydrophobicContact CD1-CE2 4.2Å; W337-F372 HydrophobicContact CE3-CE1 4.47Å; W337-F372 HydrophobicContact CE3-CZ 4.25Å; L347-F372 HydrophobicContact CD1-CD1 4.38Å; L347-F372 HydrophobicContact CD1-CE1 3.73Å; L347-F372 HydrophobicContact CD2-CE1 3.89Å; L347-F372 HydrophobicContact CD2-CZ 4.1Å; L347-F372 HydrophobicContact CG-CE1 4.49Å; L369-F372 VanDerWaalsContact O-CB 3.3Å; L369-F372 WeakPolarHBondContact O-CB 3.4Å; L369-F372 PolarHBondContact O-N 2.74Å; D370-F372 PolarHBondContact O-N 3.32Å; F372-E374 VanDerWaalsContact C-N 3.3Å; F372-E374 PolarHBondContact O-N 2.67Å; F372-Y375 PolarHBondContact O-N 2.8Å; F372-L376 HydrophobicContact CD1-CD1 4.36Å; F372-L376 HydrophobicContact CE1-CD1 3.85Å; F372-L376 HydrophobicContact CE1-CG 4.49Å; F372-L376 HydrophobicContact CE2-CD2 4.46Å; F372-L376 HydrophobicContact CZ-CD1 4.09Å; F372-L376 HydrophobicContact CZ-CD2 4.34Å; F372-L376 HydrophobicContact CZ-CG 4.42Å; F372-L376 WeakPolarHBondContact O-CG 3.38Å; F372-L376 PolarHBondContact O-N 2.88Å
373Y98.3Very high97.1Very high3 Ų311.1 Ų11.11%0.0126%0.064CC..Hα-helixtrans-65.2-38.5177.2-59.1-57.5000111.7L365 L369 D370 F392 A395 I399L365-Y373 HydrophobicContact CD2-CE2 4.49Å; L369-Y373 HydrophobicContact CB-CE2 3.83Å; L369-Y373 HydrophobicContact CD2-CE2 4.35Å; L369-Y373 WeakPolarHBondContact CD2-OH 3.5Å; D370-Y373 PolarHBondContact O-N 3.3Å; Y373-F392 WeakPolarHBondContact O-CD2 3.46Å; Y373-A395 HydrophobicContact CD1-CB 3.88Å; Y373-A395 HydrophobicContact CE1-CB 4.01Å; Y373-I399 HydrophobicContact CD1-CD1 3.94Å; Y373-I399 HydrophobicContact CD2-CD1 4.16Å; Y373-I399 HydrophobicContact CE1-CD1 3.97Å; Y373-I399 HydrophobicContact CE2-CD1 4.16Å; Y373-I399 HydrophobicContact CG-CD1 4.03Å
374E98.4Very high96.9Very high3 Ų312.3 Ų12.31%0.0148%0.076CC..Hα-helixtrans-58.9-47.3174.8-160.5-160.4120.300111.6S371 F372 L376 L377 K378 F441 L445 T579S371-E374 WeakPolarHBondContact O-CB 3.29Å; S371-E374 PolarHBondContact O-N 3.13Å; F372-E374 VanDerWaalsContact C-N 3.3Å; F372-E374 PolarHBondContact O-N 2.67Å; E374-L376 PolarHBondContact O-N 3.14Å; E374-L377 PolarHBondContact O-N 3.43Å; E374-L377 VanDerWaalsContact O-N 3.15Å; E374-K378 HydrophobicContact CG-CD 3.82Å; E374-K378 HydrophobicContact CG-CG 4.35Å; E374-K378 WeakPolarHBondContact O-CB 3.39Å; E374-K378 WeakPolarHBondContact O-CG 3.38Å; E374-K378 PolarHBondContact O-N 2.95Å; E374-K378 WeakPolarHBondContact OE1-CD 3.44Å; E374-K378 WeakPolarHBondContact OE1-CE 3.32Å; E374-K378 IonicContact OE1-NZ 2.82Å; E374-K378 PolarHBondContact OE1-NZ 3.03Å; E374-F441 HydrophobicContact CB-CE2 4.03Å; E374-F441 HydrophobicContact CG-CE2 4.31Å; E374-L445 HydrophobicContact CB-CD2 4.49Å; E374-L445 HydrophobicContact CG-CD1 4.46Å; E374-T579 WeakPolarHBondContact OE1-CA 3.39Å; E374-T579 VanDerWaalsContact OE1-CB 3.31Å; E374-T579 WeakPolarHBondContact OE1-CB 3.33Å; E374-T579 PolarHBondContact OE1-N 3.14Å; E374-T579 WeakPolarHBondContact OE2-CB 3.47Å; E374-T579 PolarHBondContact OE2-OG1 2.9Å
375Y98.6Very high96.8Very high3 Ų315.3 Ų15.31%0.0129%0.091CC..Hα-helixtrans-74.7-26.7-173.3-85.130.4000112.9S308 V311 E312 S371 F372 L377 S379 T579S308-Y375 VanDerWaalsContact C-CD2 3.47Å; S308-Y375 VanDerWaalsContact C-CE2 3.5Å; S308-Y375 VanDerWaalsContact CA-CD2 3.43Å; S308-Y375 WeakPolarHBondContact O-CE2 3.31Å; V311-Y375 HydrophobicContact CB-CD2 3.93Å; V311-Y375 HydrophobicContact CB-CE1 4.46Å; V311-Y375 HydrophobicContact CB-CE2 3.54Å; V311-Y375 HydrophobicContact CG2-CD1 4.01Å; V311-Y375 HydrophobicContact CG2-CD2 3.58Å; V311-Y375 HydrophobicContact CG2-CE1 4.03Å; V311-Y375 HydrophobicContact CG2-CE2 3.66Å; V311-Y375 HydrophobicContact CG2-CG 3.77Å; E312-Y375 PolarHBondContact OE1-OH 2.73Å; E312-Y375 VanDerWaalsContact OE2-CE2 3.29Å; E312-Y375 WeakPolarHBondContact OE2-CE2 3.31Å; E312-Y375 PolarHBondContact OE2-OH 2.59Å; S371-Y375 WeakPolarHBondContact O-CB 3.43Å; S371-Y375 PolarHBondContact O-N 3.43Å; F372-Y375 PolarHBondContact O-N 2.8Å; Y375-L377 VanDerWaalsContact C-N 3.28Å; Y375-L377 PolarHBondContact O-N 2.99Å; Y375-S379 WeakPolarHBondContact O-CB 3.23Å; Y375-S379 PolarHBondContact O-N 2.82Å; Y375-S379 PolarHBondContact O-OG 2.91Å; Y375-T579 HydrophobicContact CE1-CG2 3.97Å; Y375-T579 PolarHBondContact OH-N 2.71Å
376L98.5Very high96.7Very high2 Ų222.3 Ų22.31%0.0112%0.121CC..Hα-helixtrans-58.8-39.1168-65.8177.1000111.9V333 W337 F372 E374 S379 D388 M391 F392 A395V333-L376 HydrophobicContact CG1-CD2 3.82Å; W337-L376 HydrophobicContact CE3-CD1 4.46Å; W337-L376 HydrophobicContact CZ3-CD1 4.11Å; F372-L376 HydrophobicContact CD1-CD1 4.36Å; F372-L376 HydrophobicContact CE1-CD1 3.85Å; F372-L376 HydrophobicContact CE1-CG 4.49Å; F372-L376 HydrophobicContact CE2-CD2 4.46Å; F372-L376 HydrophobicContact CZ-CD1 4.09Å; F372-L376 HydrophobicContact CZ-CD2 4.34Å; F372-L376 HydrophobicContact CZ-CG 4.42Å; F372-L376 WeakPolarHBondContact O-CG 3.38Å; F372-L376 PolarHBondContact O-N 2.88Å; E374-L376 PolarHBondContact O-N 3.14Å; L376-S379 PolarHBondContact O-OG 2.64Å; L376-D388 CarbonylContact O-C 3.59Å; L376-D388 WeakPolarHBondContact O-CB 3.35Å; L376-M391 HydrophobicContact CD1-CB 4.05Å; L376-M391 HydrophobicContact CD2-CB 3.8Å; L376-M391 HydrophobicContact CD2-CE 3.82Å; L376-M391 HydrophobicContact CD2-SD 4.15Å; L376-M391 HydrophobicContact CG-CB 4.43Å; L376-F392 HydrophobicContact CB-CB 3.86Å; L376-F392 HydrophobicContact CB-CD2 4.28Å; L376-A395 HydrophobicContact CD1-CB 4.37Å
377L98.1Very high96.8Very high10 Ų1026.1 Ų26.15%0.05214%0.138CC..Hα-helixtrans-79.1-48.8175.8-17669.6000112.1E374 Y375 S379 Y380 I381 L389 F392 L445 L448 I449E374-L377 PolarHBondContact O-N 3.43Å; E374-L377 VanDerWaalsContact O-N 3.15Å; Y375-L377 VanDerWaalsContact C-N 3.28Å; Y375-L377 PolarHBondContact O-N 2.99Å; L377-S379 VanDerWaalsContact C-N 3.33Å; L377-S379 PolarHBondContact O-N 3.36Å; L377-Y380 WeakPolarHBondContact O-CB 3.13Å; L377-Y380 PolarHBondContact O-N 2.78Å; L377-Y380 VanDerWaalsContact O-N 3.16Å; L377-I381 HydrophobicContact CD1-CD1 4.47Å; L377-I381 HydrophobicContact CD2-CD1 4.26Å; L377-I381 HydrophobicContact CG-CD1 3.9Å; L377-I381 HydrophobicContact CG-CG1 4.46Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 2.73Å; L377-L389 HydrophobicContact CD1-CD1 4.42Å; L377-F392 HydrophobicContact CB-CD2 3.69Å; L377-F392 HydrophobicContact CB-CE2 3.98Å; L377-F392 HydrophobicContact CB-CG 4.01Å; L377-F392 HydrophobicContact CD1-CD1 4.13Å; L377-F392 HydrophobicContact CD1-CE1 4.43Å; L377-F392 HydrophobicContact CD1-CG 4.29Å; L377-L445 HydrophobicContact CB-CD1 4.18Å; L377-L445 HydrophobicContact CD2-CD1 3.55Å; L377-L448 HydrophobicContact CD2-CB 3.76Å; L377-I449 HydrophobicContact CD1-CG2 3.9Å; L377-I449 HydrophobicContact CD2-CG2 3.39Å; L377-I449 HydrophobicContact CG-CG2 4.28Å
378K97.9Very high97Very high4 Ų423.8 Ų23.82%0.01712%0.119CC..Hα-helixtrans-64.8-35.3-174.2-73.6-171.8179.3178.10112.1V311 E374 I381 L382 M576 F577 T578V311-K378 HydrophobicContact CG2-CB 4.19Å; E374-K378 HydrophobicContact CG-CD 3.82Å; E374-K378 HydrophobicContact CG-CG 4.35Å; E374-K378 WeakPolarHBondContact O-CB 3.39Å; E374-K378 WeakPolarHBondContact O-CG 3.38Å; E374-K378 PolarHBondContact O-N 2.95Å; E374-K378 WeakPolarHBondContact OE1-CD 3.44Å; E374-K378 WeakPolarHBondContact OE1-CE 3.32Å; E374-K378 IonicContact OE1-NZ 2.82Å; E374-K378 PolarHBondContact OE1-NZ 3.03Å; K378-I381 PolarHBondContact O-N 2.86Å; K378-L382 PolarHBondContact O-N 2.78Å; K378-M576 HydrophobicContact CB-CE 3.72Å; K378-M576 HydrophobicContact CB-SD 3.68Å; K378-M576 HydrophobicContact CD-CE 4.1Å; K378-M576 HydrophobicContact CD-SD 4.19Å; K378-M576 HydrophobicContact CG-CE 4.09Å; K378-M576 HydrophobicContact CG-CG 4.47Å; K378-M576 HydrophobicContact CG-SD 3.71Å; K378-F577 VanDerWaalsContact CD-O 3.23Å; K378-F577 WeakPolarHBondContact CD-O 3.33Å; K378-F577 WeakPolarHBondContact CE-O 3.33Å; K378-F577 PolarHBondContact NZ-O 2.89Å; K378-T578 PolarHBondContact NZ-O 2.78Å
379S97.6Very high97.1Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-65.4-39.317260.70000112.9Y375 L376 L377 L382 F383 D388Y375-S379 WeakPolarHBondContact O-CB 3.23Å; Y375-S379 PolarHBondContact O-N 2.82Å; Y375-S379 PolarHBondContact O-OG 2.91Å; L376-S379 PolarHBondContact O-OG 2.64Å; L377-S379 VanDerWaalsContact C-N 3.33Å; L377-S379 PolarHBondContact O-N 3.36Å; S379-L382 PolarHBondContact O-N 3.21Å; S379-F383 WeakPolarHBondContact O-CB 3.2Å; S379-F383 WeakPolarHBondContact O-CD2 3.25Å; S379-F383 PolarHBondContact O-N 2.86Å; S379-D388 WeakPolarHBondContact OG-CB 3.18Å; S379-D388 PolarHBondContact OG-OD2 3.32Å
380Y97Very high97.2Very high73 Ų7330.4 Ų30.429%0.28615%0.147SC..Hα-helixtrans-62.7-43.2171.4171.1-108.3000112.3L377 L382 G384 E385 L389L377-Y380 WeakPolarHBondContact O-CB 3.13Å; L377-Y380 PolarHBondContact O-N 2.78Å; L377-Y380 VanDerWaalsContact O-N 3.16Å; Y380-L382 VanDerWaalsContact C-N 3.34Å; Y380-L382 PolarHBondContact O-N 3.37Å; Y380-G384 VanDerWaalsContact O-CA 3.24Å; Y380-G384 WeakPolarHBondContact O-CA 3.44Å; Y380-G384 PolarHBondContact O-N 3.35Å; Y380-E385 WeakPolarHBondContact CD2-O 3.25Å; Y380-L389 HydrophobicContact CD1-CB 3.98Å; Y380-L389 HydrophobicContact CD1-CD1 4.08Å; Y380-L389 HydrophobicContact CD1-CD2 4.15Å; Y380-L389 HydrophobicContact CD1-CG 4.28Å; Y380-L389 HydrophobicContact CD2-CB 3.76Å; Y380-L389 HydrophobicContact CE1-CB 4.37Å; Y380-L389 HydrophobicContact CE1-CD1 4.35Å; Y380-L389 HydrophobicContact CE1-CD2 3.73Å; Y380-L389 HydrophobicContact CE1-CG 4.36Å; Y380-L389 HydrophobicContact CE2-CB 4.16Å; Y380-L389 HydrophobicContact CE2-CD2 4.13Å; Y380-L389 HydrophobicContact CG-CB 3.65Å; Y380-L389 HydrophobicContact CG-CG 4.44Å
381I94.9Very high97.2Very high41 Ų4129.7 Ų29.721%0.2114%0.143CC..Hα-helixtrans-59.9-45.6179.6-69.8170.1000110.7L377 K378 M576 V586 R591L377-I381 HydrophobicContact CD1-CD1 4.47Å; L377-I381 HydrophobicContact CD2-CD1 4.26Å; L377-I381 HydrophobicContact CG-CD1 3.9Å; L377-I381 HydrophobicContact CG-CG1 4.46Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 2.73Å; K378-I381 PolarHBondContact O-N 2.86Å; I381-M576 HydrophobicContact CB-SD 4.12Å; I381-M576 HydrophobicContact CG2-SD 3.92Å; I381-V586 HydrophobicContact CG2-CG1 4.16Å; I381-V586 HydrophobicContact CG2-CG2 4.04Å; I381-V586 WeakPolarHBondContact O-CG1 3.48Å; I381-R591 PolarHBondContact O-NH2 2.79Å
382L95Very high97.2Very high0 Ų029.8 Ų29.80%014%0.143CC..Hα-helixtrans-70.6-63.6177.1-68175.2000112.3V311 I315 K378 S379 Y380 M576 V584 V586 L590 R591V311-L382 HydrophobicContact CG1-CD1 3.75Å; I315-L382 HydrophobicContact CD1-CD1 3.99Å; I315-L382 HydrophobicContact CG1-CD1 4.18Å; K378-L382 PolarHBondContact O-N 2.78Å; S379-L382 PolarHBondContact O-N 3.21Å; Y380-L382 VanDerWaalsContact C-N 3.34Å; Y380-L382 PolarHBondContact O-N 3.37Å; L382-M576 HydrophobicContact CD1-CE 3.49Å; L382-M576 VanDerWaalsContact CD1-CE 3.49Å; L382-M576 HydrophobicContact CD2-CE 3.97Å; L382-M576 HydrophobicContact CD2-SD 4.37Å; L382-M576 HydrophobicContact CG-CE 3.6Å; L382-M576 HydrophobicContact CG-SD 4.07Å; L382-V584 HydrophobicContact CD2-CG1 4Å; L382-V586 HydrophobicContact CD2-CG2 4.11Å; L382-L590 HydrophobicContact CD2-CD1 3.9Å; L382-R591 WeakPolarHBondContact O-CG 3.44Å; L382-R591 PolarHBondContact O-NE 3.28Å
383F95.7Very high97.2Very high3 Ų332.8 Ų32.81%0.01316%0.16CC..Hα-helixtrans-91.5-18-163.7-46.8-52.7000113.9I315 R318 S379 E385 L590I315-F383 HydrophobicContact CG1-CE1 4.2Å; I315-F383 HydrophobicContact CG1-CZ 4.19Å; R318-F383 HydrophobicContact CG-CD1 4.46Å; R318-F383 HydrophobicContact CG-CE1 4.45Å; S379-F383 WeakPolarHBondContact O-CB 3.2Å; S379-F383 WeakPolarHBondContact O-CD2 3.25Å; S379-F383 PolarHBondContact O-N 2.86Å; F383-E385 VanDerWaalsContact C-N 3.32Å; F383-E385 HydrophobicContact CB-CG 4.4Å; F383-E385 PolarHBondContact O-N 2.79Å; F383-L590 HydrophobicContact CD1-CB 4.35Å; F383-L590 WeakPolarHBondContact CD1-O 3.32Å
384G94.1Very high97.3Very high26 Ų2634.1 Ų34.127%0.26817%0.171SC..  trans78.34.9177.400000116Y380 K386Y380-G384 VanDerWaalsContact O-CA 3.24Å; Y380-G384 WeakPolarHBondContact O-CA 3.44Å; Y380-G384 PolarHBondContact O-N 3.35Å; G384-K386 PolarHBondContact O-N 3.01Å
385E95Very high97.3Very high63 Ų6334.2 Ų34.229%0.29417%0.172SC..  trans-69.8117-177.9-63.7-59.1164.400111.8R318 Y380 F383 E387 D388R318-E385 IonicContact NH2-OE1 3.61Å; Y380-E385 WeakPolarHBondContact CD2-O 3.25Å; F383-E385 VanDerWaalsContact C-N 3.32Å; F383-E385 HydrophobicContact CB-CG 4.4Å; F383-E385 PolarHBondContact O-N 2.79Å; E385-E387 VanDerWaalsContact C-N 3.26Å; E385-E387 PolarHBondContact O-N 2.67Å; E385-D388 WeakPolarHBondContact O-CB 3.22Å; E385-D388 PolarHBondContact O-N 2.71Å; E385-D388 VanDerWaalsContact O-N 3.16Å
386K96.1Very high97.3Very high147 Ų14735.4 Ų35.464%0.63918%0.177SC*.Hα-helixtrans-62.7-31.5-172.4-67.8-176178.1-177.60114G384 D388 L389 E390G384-K386 PolarHBondContact O-N 3.01Å; K386-D388 PolarHBondContact O-N 3.02Å; K386-L389 PolarHBondContact O-N 2.9Å; K386-E390 WeakPolarHBondContact O-CG 3.48Å; K386-E390 PolarHBondContact O-N 2.73Å
387E96.9Very high97.3Very high83 Ų8340.9 Ų40.939%0.38820%0.202SC..Hα-helixtrans-57.9-39.7178.5-167.4177.2179.900110.7K334 E385 L389 E390 M391K334-E387 VanDerWaalsContact CE-OE1 3.27Å; K334-E387 WeakPolarHBondContact CE-OE1 3.15Å; K334-E387 WeakPolarHBondContact CE-OE2 3.29Å; K334-E387 IonicContact NZ-OE1 2.87Å; K334-E387 PolarHBondContact NZ-OE1 3.32Å; K334-E387 IonicContact NZ-OE2 2.65Å; K334-E387 PolarHBondContact NZ-OE2 2.68Å; E385-E387 VanDerWaalsContact C-N 3.26Å; E385-E387 PolarHBondContact O-N 2.67Å; E387-L389 PolarHBondContact O-N 2.91Å; E387-E390 PolarHBondContact O-N 3.38Å; E387-M391 HydrophobicContact CG-CE 4.24Å; E387-M391 WeakPolarHBondContact O-CB 3.45Å; E387-M391 WeakPolarHBondContact O-CG 3.35Å; E387-M391 PolarHBondContact O-N 3.22Å
388D97.9Very high97.3Very high1 Ų141 Ų411%0.00520%0.204CC..Hα-helixtrans-63.1-41.4179.4-59-19.4000111.3R330 L376 S379 E385 K386 M391 F392R330-D388 IonicContact CZ-OD2 3.19Å; R330-D388 IonicContact NH1-OD1 3.71Å; R330-D388 PolarHBondContact NH1-OD1 2.91Å; R330-D388 IonicContact NH1-OD2 2.93Å; R330-D388 PolarHBondContact NH1-OD2 3.13Å; R330-D388 IonicContact NH2-OD2 2.66Å; R330-D388 PolarHBondContact NH2-OD2 3.23Å; L376-D388 CarbonylContact O-C 3.59Å; L376-D388 WeakPolarHBondContact O-CB 3.35Å; S379-D388 WeakPolarHBondContact OG-CB 3.18Å; S379-D388 PolarHBondContact OG-OD2 3.32Å; E385-D388 WeakPolarHBondContact O-CB 3.22Å; E385-D388 PolarHBondContact O-N 2.71Å; E385-D388 VanDerWaalsContact O-N 3.16Å; K386-D388 PolarHBondContact O-N 3.02Å; D388-M391 PolarHBondContact O-N 2.86Å; D388-M391 WeakPolarHBondContact OD1-CE 3.31Å; D388-F392 WeakPolarHBondContact O-CB 3.26Å; D388-F392 PolarHBondContact O-N 3.3Å
389L97.8Very high97.3Very high45 Ų4540.9 Ų40.924%0.23620%0.204CC..Hα-helixtrans-70.1-38.7174.5-179.963.4000112.9L377 Y380 K386 E387 M391 F392 N393L377-L389 HydrophobicContact CD1-CD1 4.42Å; Y380-L389 HydrophobicContact CD1-CB 3.98Å; Y380-L389 HydrophobicContact CD1-CD1 4.08Å; Y380-L389 HydrophobicContact CD1-CD2 4.15Å; Y380-L389 HydrophobicContact CD1-CG 4.28Å; Y380-L389 HydrophobicContact CD2-CB 3.76Å; Y380-L389 HydrophobicContact CE1-CB 4.37Å; Y380-L389 HydrophobicContact CE1-CD1 4.35Å; Y380-L389 HydrophobicContact CE1-CD2 3.73Å; Y380-L389 HydrophobicContact CE1-CG 4.36Å; Y380-L389 HydrophobicContact CE2-CB 4.16Å; Y380-L389 HydrophobicContact CE2-CD2 4.13Å; Y380-L389 HydrophobicContact CG-CB 3.65Å; Y380-L389 HydrophobicContact CG-CG 4.44Å; K386-L389 PolarHBondContact O-N 2.9Å; E387-L389 PolarHBondContact O-N 2.91Å; L389-M391 VanDerWaalsContact C-N 3.31Å; L389-F392 PolarHBondContact O-N 2.88Å; L389-N393 WeakPolarHBondContact CG-ND2 3.21Å; L389-N393 WeakPolarHBondContact O-CB 3.41Å; L389-N393 VanDerWaalsContact O-CG 3.31Å; L389-N393 PolarHBondContact O-N 3.29Å; L389-N393 PolarHBondContact O-ND2 2.83Å
390E98.4Very high97.3Very high110 Ų11043.2 Ų43.251%0.51422%0.215SC..Hα-helixtrans-63.3-40.6175.3-73.3170.2-169.600110.7K386 E387 A394K386-E390 WeakPolarHBondContact O-CG 3.48Å; K386-E390 PolarHBondContact O-N 2.73Å; E387-E390 PolarHBondContact O-N 3.38Å; E390-A394 WeakPolarHBondContact O-CB 3.4Å; E390-A394 PolarHBondContact O-N 2.96Å
391M98.7Very high97.3Very high4 Ų444.4 Ų44.42%0.0223%0.226CC..Hα-helixtrans-63.1-50171.6-67.6-167.9-74.200111.3V333 W337 L376 E387 D388 L389 N393 A394 A395V333-M391 HydrophobicContact CG1-CE 3.83Å; V333-M391 HydrophobicContact CG1-SD 4.22Å; W337-M391 HydrophobicContact CB-SD 3.99Å; W337-M391 HydrophobicContact CD2-CB 4.06Å; W337-M391 HydrophobicContact CD2-CG 3.65Å; W337-M391 HydrophobicContact CD2-SD 3.66Å; W337-M391 VanDerWaalsContact CE2-CG 3.41Å; W337-M391 HydrophobicContact CE3-CB 4.05Å; W337-M391 HydrophobicContact CE3-CG 4.15Å; W337-M391 HydrophobicContact CE3-SD 4.2Å; W337-M391 HydrophobicContact CG-CG 4.06Å; W337-M391 HydrophobicContact CG-SD 3.54Å; W337-M391 VanDerWaalsContact CG-SD 3.54Å; W337-M391 VanDerWaalsContact CH2-CA 3.49Å; W337-M391 HydrophobicContact CH2-CB 3.86Å; W337-M391 HydrophobicContact CH2-CG 4.32Å; W337-M391 WeakPolarHBondContact CH2-O 3.14Å; W337-M391 VanDerWaalsContact CZ2-CA 3.45Å; W337-M391 HydrophobicContact CZ2-CB 3.8Å; W337-M391 HydrophobicContact CZ2-CG 3.78Å; W337-M391 HydrophobicContact CZ3-CB 3.96Å; W337-M391 HydrophobicContact CZ3-CG 4.46Å; L376-M391 HydrophobicContact CD1-CB 4.05Å; L376-M391 HydrophobicContact CD2-CB 3.8Å; L376-M391 HydrophobicContact CD2-CE 3.82Å; L376-M391 HydrophobicContact CD2-SD 4.15Å; L376-M391 HydrophobicContact CG-CB 4.43Å; E387-M391 HydrophobicContact CG-CE 4.24Å; E387-M391 WeakPolarHBondContact O-CB 3.45Å; E387-M391 WeakPolarHBondContact O-CG 3.35Å; E387-M391 PolarHBondContact O-N 3.22Å; D388-M391 PolarHBondContact O-N 2.86Å; D388-M391 WeakPolarHBondContact OD1-CE 3.31Å; L389-M391 VanDerWaalsContact C-N 3.31Å; M391-N393 PolarHBondContact O-N 3.37Å; M391-A394 PolarHBondContact O-N 3.07Å; M391-A395 WeakPolarHBondContact O-CB 3.37Å; M391-A395 PolarHBondContact O-N 3.01Å
392F98.6Very high97.5Very high4 Ų445.7 Ų45.72%0.01823%0.229CC..Hα-helixtrans-55.2-50.3177.8177.9-93.3000112.4Y373 L376 L377 D388 L389 A394 A395 Y396 L445 I449Y373-F392 WeakPolarHBondContact O-CD2 3.46Å; L376-F392 HydrophobicContact CB-CB 3.86Å; L376-F392 HydrophobicContact CB-CD2 4.28Å; L377-F392 HydrophobicContact CB-CD2 3.69Å; L377-F392 HydrophobicContact CB-CE2 3.98Å; L377-F392 HydrophobicContact CB-CG 4.01Å; L377-F392 HydrophobicContact CD1-CD1 4.13Å; L377-F392 HydrophobicContact CD1-CE1 4.43Å; L377-F392 HydrophobicContact CD1-CG 4.29Å; D388-F392 WeakPolarHBondContact O-CB 3.26Å; D388-F392 PolarHBondContact O-N 3.3Å; L389-F392 PolarHBondContact O-N 2.88Å; F392-A394 PolarHBondContact O-N 2.63Å; F392-A395 WeakPolarHBondContact O-CB 3.26Å; F392-A395 PolarHBondContact O-N 3.08Å; F392-A395 VanDerWaalsContact O-N 3.16Å; F392-Y396 HydrophobicContact CE1-CD2 4.48Å; F392-Y396 HydrophobicContact CE1-CG 4.34Å; F392-Y396 AromaticContact CZ-CD2 3.99Å; F392-Y396 HydrophobicContact CZ-CD2 3.99Å; F392-Y396 HydrophobicContact CZ-CG 4.29Å; F392-Y396 PolarHBondContact O-N 3.28Å; F392-L445 HydrophobicContact CE2-CD1 4.24Å; F392-L445 HydrophobicContact CE2-CD2 4.17Å; F392-L445 HydrophobicContact CE2-CG 4.31Å; F392-I449 HydrophobicContact CD1-CG2 4.49Å; F392-I449 HydrophobicContact CE1-CD1 4.19Å; F392-I449 HydrophobicContact CE1-CG2 3.56Å; F392-I449 HydrophobicContact CZ-CD1 4.17Å; F392-I449 HydrophobicContact CZ-CG2 3.69Å
393N98.6Very high97.6Very high64 Ų6445.7 Ų45.734%0.34223%0.229SC..Hα-helixtrans-62.2-41.4-177-74.9-41.1000112.4L389 M391 Y396 Q397L389-N393 WeakPolarHBondContact CG-ND2 3.21Å; L389-N393 WeakPolarHBondContact O-CB 3.41Å; L389-N393 VanDerWaalsContact O-CG 3.31Å; L389-N393 PolarHBondContact O-N 3.29Å; L389-N393 PolarHBondContact O-ND2 2.83Å; M391-N393 PolarHBondContact O-N 3.37Å; N393-Y396 PolarHBondContact O-N 2.97Å; N393-Q397 WeakPolarHBondContact O-CB 3.27Å; N393-Q397 PolarHBondContact O-N 3.3Å
394A98.6Very high97.7Very high31 Ų3147 Ų4726%0.25623%0.233SC..Hα-helixtrans-68.3-34.5176.600000112.4W337 E390 M391 F392 S398W337-A394 HydrophobicContact CH2-CB 3.91Å; W337-A394 HydrophobicContact CZ2-CB 4Å; E390-A394 WeakPolarHBondContact O-CB 3.4Å; E390-A394 PolarHBondContact O-N 2.96Å; M391-A394 PolarHBondContact O-N 3.07Å; F392-A394 PolarHBondContact O-N 2.63Å; A394-S398 PolarHBondContact O-N 3.31Å; A394-S398 VanDerWaalsContact O-N 3.16Å; A394-S398 PolarHBondContact O-OG 3.01Å
395A98.5Very high97.7Very high4 Ų450 Ų503%0.03324%0.237CC..Hα-helixtrans-66.3-48.1172.500000111.2W337 Y373 L376 M391 F392 Q397 S398 I399W337-A395 HydrophobicContact CH2-CB 4.33Å; W337-A395 HydrophobicContact CZ3-CB 4.16Å; Y373-A395 HydrophobicContact CD1-CB 3.88Å; Y373-A395 HydrophobicContact CE1-CB 4.01Å; L376-A395 HydrophobicContact CD1-CB 4.37Å; M391-A395 WeakPolarHBondContact O-CB 3.37Å; M391-A395 PolarHBondContact O-N 3.01Å; F392-A395 WeakPolarHBondContact O-CB 3.26Å; F392-A395 PolarHBondContact O-N 3.08Å; F392-A395 VanDerWaalsContact O-N 3.16Å; A395-Q397 VanDerWaalsContact C-N 3.33Å; A395-Q397 PolarHBondContact O-N 3.21Å; A395-S398 WeakPolarHBondContact O-CB 3.33Å; A395-S398 PolarHBondContact O-N 3.31Å; A395-S398 VanDerWaalsContact O-N 3.08Å; A395-I399 WeakPolarHBondContact O-CG1 3.39Å; A395-I399 PolarHBondContact O-N 3.3Å
396Y98.5Very high97.7Very high28 Ų2849.2 Ų49.211%0.1125%0.245CC..Hα-helixtrans-60.2-41.3178.3-164.2-103.5000112.2F392 N393 S398 I399 Q400 F442 Q446 I449 D451F392-Y396 HydrophobicContact CE1-CD2 4.48Å; F392-Y396 HydrophobicContact CE1-CG 4.34Å; F392-Y396 AromaticContact CZ-CD2 3.99Å; F392-Y396 HydrophobicContact CZ-CD2 3.99Å; F392-Y396 HydrophobicContact CZ-CG 4.29Å; F392-Y396 PolarHBondContact O-N 3.28Å; N393-Y396 PolarHBondContact O-N 2.97Å; Y396-S398 VanDerWaalsContact C-N 3.33Å; Y396-S398 PolarHBondContact O-N 2.78Å; Y396-I399 WeakPolarHBondContact O-CB 3.04Å; Y396-I399 PolarHBondContact O-N 2.84Å; Y396-Q400 HydrophobicContact CD1-CG 3.96Å; Y396-Q400 HydrophobicContact CE1-CG 3.67Å; Y396-Q400 WeakPolarHBondContact O-CB 3.41Å; Y396-Q400 WeakPolarHBondContact O-CG 3.45Å; Y396-Q400 PolarHBondContact O-N 3.08Å; Y396-Q400 PolarHBondContact OH-NE2 2.98Å; Y396-F442 HydrophobicContact CD2-CZ 4Å; Y396-F442 HydrophobicContact CE2-CE1 4.12Å; Y396-F442 HydrophobicContact CE2-CE2 4.47Å; Y396-F442 AromaticContact CE2-CZ 3.57Å; Y396-F442 HydrophobicContact CE2-CZ 3.57Å; Y396-Q446 HydrophobicContact CE2-CG 4.17Å; Y396-Q446 PolarHBondContact OH-NE2 3.47Å; Y396-I449 HydrophobicContact CD1-CD1 4.09Å; Y396-I449 HydrophobicContact CD2-CD1 3.94Å; Y396-I449 HydrophobicContact CE1-CD1 3.76Å; Y396-I449 HydrophobicContact CE2-CD1 3.61Å; Y396-I449 HydrophobicContact CG-CD1 4.18Å; Y396-D451 PolarHBondContact OH-OD2 3.37Å
397Q98.4Very high97.5Very high117 Ų11742.8 Ų42.855%0.54722%0.217SC..Hα-helixtrans-61.8-40.8174-171.4179.711.700112N393 A395 Q400 N401N393-Q397 WeakPolarHBondContact O-CB 3.27Å; N393-Q397 PolarHBondContact O-N 3.3Å; A395-Q397 VanDerWaalsContact C-N 3.33Å; A395-Q397 PolarHBondContact O-N 3.21Å; Q397-Q400 PolarHBondContact O-N 2.93Å; Q397-N401 WeakPolarHBondContact O-CB 3.45Å; Q397-N401 PolarHBondContact O-N 2.8Å; Q397-N401 PolarHBondContact O-ND2 2.91Å
398S98.5Very high97.2Very high13 Ų1347.5 Ų47.59%0.09124%0.239CC..Hα-helixtrans-67.4-38.9176.5-55.50000111.7T344 A394 A395 Y396 N401 Y402T344-S398 WeakPolarHBondContact O-CB 3.44Å; T344-S398 PolarHBondContact O-OG 3.2Å; A394-S398 PolarHBondContact O-N 3.31Å; A394-S398 VanDerWaalsContact O-N 3.16Å; A394-S398 PolarHBondContact O-OG 3.01Å; A395-S398 WeakPolarHBondContact O-CB 3.33Å; A395-S398 PolarHBondContact O-N 3.31Å; A395-S398 VanDerWaalsContact O-N 3.08Å; Y396-S398 VanDerWaalsContact C-N 3.33Å; Y396-S398 PolarHBondContact O-N 2.78Å; S398-N401 PolarHBondContact O-N 2.65Å; S398-Y402 WeakPolarHBondContact O-CB 3.36Å; S398-Y402 WeakPolarHBondContact O-CD2 3.37Å; S398-Y402 PolarHBondContact O-N 2.68Å
399I98.4Very high96.9Very high2 Ų249 Ų491%0.0125%0.251CS..Hα-helixtrans-60.2-49.7173.6-71.7165.2000110.8L365 Y373 A395 Y396 L403 R404 Y420 F442L365-I399 HydrophobicContact CD2-CD1 3.9Å; L365-I399 HydrophobicContact CD2-CG1 4.16Å; L365-I399 HydrophobicContact CD2-CG2 3.91Å; Y373-I399 HydrophobicContact CD1-CD1 3.94Å; Y373-I399 HydrophobicContact CD2-CD1 4.16Å; Y373-I399 HydrophobicContact CE1-CD1 3.97Å; Y373-I399 HydrophobicContact CE2-CD1 4.16Å; Y373-I399 HydrophobicContact CG-CD1 4.03Å; A395-I399 WeakPolarHBondContact O-CG1 3.39Å; A395-I399 PolarHBondContact O-N 3.3Å; Y396-I399 WeakPolarHBondContact O-CB 3.04Å; Y396-I399 PolarHBondContact O-N 2.84Å; I399-L403 HydrophobicContact CB-CD1 4.31Å; I399-L403 HydrophobicContact CG1-CD1 3.91Å; I399-L403 HydrophobicContact CG2-CB 4.41Å; I399-L403 HydrophobicContact CG2-CD1 4.18Å; I399-L403 WeakPolarHBondContact O-CA 3.49Å; I399-L403 WeakPolarHBondContact O-CB 3.09Å; I399-L403 PolarHBondContact O-N 3Å; I399-R404 PolarHBondContact O-N 3.27Å; I399-R404 VanDerWaalsContact O-N 3.14Å; I399-Y420 HydrophobicContact CG2-CD1 3.82Å; I399-Y420 HydrophobicContact CG2-CE1 3.7Å; I399-F442 HydrophobicContact CD1-CE2 4.25Å; I399-F442 HydrophobicContact CD1-CZ 4.35Å; I399-F442 HydrophobicContact CG2-CE1 4.36Å; I399-F442 HydrophobicContact CG2-CZ 3.83Å
400Q97.1Very high96.4Very high49 Ų4947 Ų4723%0.22924%0.241CC..Hα-helixtrans-61.8-43.1178.7-76.3-72.2-12.400112.2Y396 Q397 R404 Y420 D454Y396-Q400 HydrophobicContact CD1-CG 3.96Å; Y396-Q400 HydrophobicContact CE1-CG 3.67Å; Y396-Q400 WeakPolarHBondContact O-CB 3.41Å; Y396-Q400 WeakPolarHBondContact O-CG 3.45Å; Y396-Q400 PolarHBondContact O-N 3.08Å; Y396-Q400 PolarHBondContact OH-NE2 2.98Å; Q397-Q400 PolarHBondContact O-N 2.93Å; Q400-R404 WeakPolarHBondContact O-CB 3.36Å; Q400-Y420 PolarHBondContact NE2-OH 3.06Å; Q400-D454 PolarHBondContact NE2-OD2 3.33Å
401N97.6Very high96Very high97 Ų9743.1 Ų43.152%0.51922%0.224SC..Hα-helixtrans-70.9-41.5178.9-70.4-18.5000113.5Q397 S398Q397-N401 WeakPolarHBondContact O-CB 3.45Å; Q397-N401 PolarHBondContact O-N 2.8Å; Q397-N401 PolarHBondContact O-ND2 2.91Å; S398-N401 PolarHBondContact O-N 2.65Å
402Y98.3Very high95.6Very high69 Ų6948.8 Ų48.827%0.27125%0.25SS..Hα-helixtrans-113.6-24.8-165.4-64.5-73.9000115.4D343 T344 L346 S398 R405 V423D343-Y402 PolarHBondContact O-OH 3.44Å; T344-Y402 HydrophobicContact CG2-CD1 4.21Å; T344-Y402 HydrophobicContact CG2-CE1 3.91Å; T344-Y402 HydrophobicContact CG2-CE2 4.29Å; T344-Y402 WeakPolarHBondContact O-CD2 3.43Å; T344-Y402 WeakPolarHBondContact O-CE2 3.31Å; L346-Y402 HydrophobicContact CD1-CG 4.34Å; S398-Y402 WeakPolarHBondContact O-CB 3.36Å; S398-Y402 WeakPolarHBondContact O-CD2 3.37Å; S398-Y402 PolarHBondContact O-N 2.68Å; Y402-R405 VanDerWaalsContact O-CZ 3.22Å; Y402-R405 PolarHBondContact O-NH1 3.49Å; Y402-R405 PolarHBondContact O-NH2 3.08Å; Y402-V423 WeakPolarHBondContact O-CG1 3.3Å
403L98.1Very high95.2Very high0 Ų050.8 Ų50.80%027%0.272CS..THydrogen-bonded Turntrans-100-35.1179-52.4-173.1000112.7L346 L365 I399 Y420 V421 V423L346-L403 HydrophobicContact CD1-CD2 4.44Å; L365-L403 HydrophobicContact CD2-CD1 3.94Å; L365-L403 HydrophobicContact CG-CD1 4.17Å; I399-L403 HydrophobicContact CB-CD1 4.31Å; I399-L403 HydrophobicContact CG1-CD1 3.91Å; I399-L403 HydrophobicContact CG2-CB 4.41Å; I399-L403 HydrophobicContact CG2-CD1 4.18Å; I399-L403 WeakPolarHBondContact O-CA 3.49Å; I399-L403 WeakPolarHBondContact O-CB 3.09Å; I399-L403 PolarHBondContact O-N 3Å; L403-Y420 HydrophobicContact CB-CD1 4.17Å; L403-Y420 WeakPolarHBondContact O-CA 3.41Å; L403-V421 WeakPolarHBondContact O-CG2 3.32Å; L403-V421 PolarHBondContact O-N 3.24Å; L403-V423 HydrophobicContact CD2-CB 4.32Å; L403-V423 HydrophobicContact CD2-CG1 4.14Å; L403-V423 HydrophobicContact CD2-CG2 3.4Å
404R96.9Very high94.8Very high30 Ų3056.5 Ų56.511%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-69.7135.6-179.1-163.2177.9-178.3-75.410.3111.8I399 Q400 R407 E408 L419 Y420 D454I399-R404 PolarHBondContact O-N 3.27Å; I399-R404 VanDerWaalsContact O-N 3.14Å; Q400-R404 WeakPolarHBondContact O-CB 3.36Å; R404-R407 PolarHBondContact NH1-O 3.15Å; R404-E408 PolarHBondContact NH1-O 3.48Å; R404-E408 PolarHBondContact NH2-O 3.47Å; R404-L419 CarbonylContact C-O 3.59Å; R404-Y420 HydrophobicContact CB-CD1 4.07Å; R404-Y420 HydrophobicContact CB-CE1 3.7Å; R404-Y420 WeakPolarHBondContact CD-OH 3.38Å; R404-Y420 HydrophobicContact CG-CD1 4.49Å; R404-Y420 HydrophobicContact CG-CE1 3.94Å; R404-Y420 HydrophobicContact CG-CE2 4.33Å; R404-D454 IonicContact CZ-OD1 3.52Å; R404-D454 IonicContact CZ-OD2 3.57Å; R404-D454 IonicContact NE-OD1 3.49Å; R404-D454 PolarHBondContact NE-OD1 2.9Å; R404-D454 IonicContact NE-OD2 2.75Å; R404-D454 PolarHBondContact NE-OD2 3.17Å; R404-D454 IonicContact NH2-OD1 2.71Å; R404-D454 PolarHBondContact NH2-OD1 3.27Å; R404-D454 IonicContact NH2-OD2 3.53Å
405R95.1Very high94.5Very high90 Ų9057 Ų5734%0.3431%0.306SS..EExtended strand (participates in β ladder)trans-136.8171.5177.3-61.1-63.6178.5-98.6-2.5109.3Y402 P418 L419 V421 G428Y402-R405 VanDerWaalsContact O-CZ 3.22Å; Y402-R405 PolarHBondContact O-NH1 3.49Å; Y402-R405 PolarHBondContact O-NH2 3.08Å; R405-P418 VanDerWaalsContact O-CA 3.28Å; R405-P418 WeakPolarHBondContact O-CA 3.22Å; R405-L419 PolarHBondContact N-O 3.35Å; R405-L419 PolarHBondContact O-N 2.97Å; R405-V421 HydrophobicContact CB-CG1 4.39Å; R405-V421 HydrophobicContact CG-CB 4.49Å; R405-V421 HydrophobicContact CG-CG1 4Å; R405-V421 HydrophobicContact CG-CG2 3.66Å; R405-G428 PolarHBondContact NH2-O 3.33Å
406G93.8Very high94.1Very high45 Ų4562.6 Ų62.646%0.46434%0.335SS..SBendtrans87.1-168.4-173.100000112.5D416G406-D416 CarbonylContact C-O 3.6Å; G406-D416 VanDerWaalsContact CA-O 3.32Å; G406-D416 WeakPolarHBondContact CA-O 3.46Å
407R93.3Very high93.8Very high13 Ų1361.5 Ų61.55%0.04933%0.331CS..  trans-62.9158.3-179.560.7176.2178.2-94.3-2.6113.2R404 A409 C410 E414 G415 D416 P418 Y646R404-R407 PolarHBondContact NH1-O 3.15Å; R407-A409 WeakPolarHBondContact CD-O 3.43Å; R407-A409 WeakPolarHBondContact CG-O 3.27Å; R407-A409 PolarHBondContact NE-O 2.88Å; R407-A409 VanDerWaalsContact NE-O 3.09Å; R407-C410 PolarHBondContact NE-O 3.48Å; R407-C410 VanDerWaalsContact NE-O 3.16Å; R407-C410 PolarHBondContact NH2-O 3.07Å; R407-E414 WeakPolarHBondContact CB-O 3.07Å; R407-G415 PolarHBondContact NH1-O 2.8Å; R407-D416 WeakPolarHBondContact CG-O 3.19Å; R407-D416 PolarHBondContact N-O 3.42Å; R407-P418 HydrophobicContact CG-CG 4.06Å; R407-Y646 VanDerWaalsContact CZ-CD1 3.45Å
408E90.4Very high93.6Very high182 Ų18256.1 Ų56.185%0.8531%0.306SS*.SBendtrans-65.2-50.7-178.7-172.7176179.700112.1R404R404-E408 PolarHBondContact NH1-O 3.48Å; R404-E408 PolarHBondContact NH2-O 3.47Å
409A90.8Very high93.4Very high32 Ų3255.7 Ų55.726%0.26430%0.303SS..SBendtrans-99.6141.9-178.200000113R407 N411 E412R407-A409 WeakPolarHBondContact CD-O 3.43Å; R407-A409 WeakPolarHBondContact CG-O 3.27Å; R407-A409 PolarHBondContact NE-O 2.88Å; R407-A409 VanDerWaalsContact NE-O 3.09Å; A409-N411 PolarHBondContact O-N 3.36Å; A409-E412 HydrophobicContact CB-CG 3.46Å; A409-E412 VanDerWaalsContact CB-CG 3.46Å
410C88.4Confident93.3Very high4 Ų455.8 Ų55.83%0.02730%0.303CS..SBendtrans-53.8-52.8175.2163.70000112.8R407 E453 C457R407-C410 PolarHBondContact NE-O 3.48Å; R407-C410 VanDerWaalsContact NE-O 3.16Å; R407-C410 PolarHBondContact NH2-O 3.07Å; C410-E453 HydrophobicContact CB-CB 4.27Å; C410-E453 VanDerWaalsContact CB-O 3.23Å; C410-E453 WeakPolarHBondContact CB-O 3.34Å; C410-E453 PolarHBondContact SG-O 3.37Å; C410-C457 HydrophobicContact CB-CB 3.88Å; C410-C457 WeakPolarHBondContact SG-CB 3.46Å
411N89.8Confident93.4Very high27 Ų2753.6 Ų53.614%0.14429%0.293CS..SBendtrans-118.819.3-162.5-159.68000113.5A409 P641 L642 K643 Y646A409-N411 PolarHBondContact O-N 3.36Å; N411-P641 PolarHBondContact ND2-O 3.4Å; N411-L642 HydrophobicContact CB-CD1 3.99Å; N411-K643 WeakPolarHBondContact O-CE 3.5Å; N411-K643 PolarHBondContact O-NZ 3.48Å; N411-K643 WeakPolarHBondContact OD1-CB 3.18Å; N411-K643 WeakPolarHBondContact OD1-CD 3.32Å; N411-K643 WeakPolarHBondContact OD1-CG 3.23Å; N411-K643 PolarHBondContact OD1-N 2.99Å; N411-Y646 VanDerWaalsContact O-CE2 3.23Å; N411-Y646 WeakPolarHBondContact O-CE2 3.45Å
412E90.5Very high93.4Very high123 Ų12349.1 Ų49.158%0.57527%0.269SS*.SBendtrans-155.8171.317461.1-175.7-170.800111.7A409 Y646A409-E412 HydrophobicContact CB-CG 3.46Å; A409-E412 VanDerWaalsContact CB-CG 3.46Å; E412-Y646 VanDerWaalsContact C-OH 3.27Å; E412-Y646 VanDerWaalsContact CA-OH 3.26Å; E412-Y646 WeakPolarHBondContact CA-OH 3.27Å
413G90.4Very high93.4Very high47 Ų4745.8 Ų45.849%0.48526%0.256SS..SBendtrans83.9-174-176.300000114.6Y646G413-Y646 PolarHBondContact N-OH 2.93Å; G413-Y646 PolarHBondContact O-OH 3.24Å
414E89.6Confident93.4Very high183 Ų18347.6 Ų47.686%0.85527%0.266SS*.SBendtrans-118.8159-178.8-62.7-175.1173.200110.6R407R407-E414 WeakPolarHBondContact CB-O 3.07Å
415G91.4Very high93.5Very high43 Ų4346.1 Ų46.144%0.44326%0.26SS..SBendtrans101.3175-178.300000114.5R407R407-G415 PolarHBondContact NH1-O 2.8Å
416D91.8Very high93.6Very high121 Ų12145.7 Ų45.765%0.64726%0.261SS*.SBendtrans-61.3149.7-171.1-60.7-37.5000112.9G406 R407G406-D416 CarbonylContact C-O 3.6Å; G406-D416 VanDerWaalsContact CA-O 3.32Å; G406-D416 WeakPolarHBondContact CA-O 3.46Å; R407-D416 WeakPolarHBondContact CG-O 3.19Å; R407-D416 PolarHBondContact N-O 3.42Å
417P92.2Very high93.8Very high5 Ų546.3 Ų46.33%0.03226%0.258CS..PPolyproline II helixtrans-50.7139.3174.1-27.635.2000113.7L419 Q649 I650 M653P417-L419 PolarHBondContact O-N 3.38Å; P417-Q649 HydrophobicContact CG-CB 4.14Å; P417-I650 HydrophobicContact CB-CG1 3.8Å; P417-I650 HydrophobicContact CG-CG1 3.78Å; P417-M653 HydrophobicContact CB-SD 3.86Å; P417-M653 HydrophobicContact CG-SD 3.76Å
418P93Very high94Very high3 Ų346.1 Ų46.12%0.01926%0.26CS..PPolyproline II helixtrans-50.7127169.1-29.134.6000112.5R405 R407 C457R405-P418 VanDerWaalsContact O-CA 3.28Å; R405-P418 WeakPolarHBondContact O-CA 3.22Å; R407-P418 HydrophobicContact CG-CG 4.06Å; P418-C457 HydrophobicContact CB-CB 4.41Å; P418-C457 WeakPolarHBondContact CD-SG 3.48Å; P418-C457 HydrophobicContact CG-CB 4.43Å
419L94.3Very high94.4Very high5 Ų544 Ų443%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-142.3148.9176.6-178.763.4000109.8R404 R405 P417 V421 I435 L458 F461 W478 M653R404-L419 CarbonylContact C-O 3.59Å; R405-L419 PolarHBondContact N-O 3.35Å; R405-L419 PolarHBondContact O-N 2.97Å; P417-L419 PolarHBondContact O-N 3.38Å; L419-V421 HydrophobicContact CD2-CG1 4.2Å; L419-V421 HydrophobicContact CG-CG1 4.23Å; L419-I435 HydrophobicContact CD1-CD1 3.82Å; L419-I435 HydrophobicContact CD1-CG2 4.49Å; L419-L458 HydrophobicContact CD1-CD1 4.41Å; L419-F461 HydrophobicContact CD1-CD1 4.16Å; L419-F461 HydrophobicContact CD1-CE1 4.05Å; L419-F461 HydrophobicContact CD1-CG 4.49Å; L419-F461 HydrophobicContact CD1-CZ 4.28Å; L419-W478 HydrophobicContact CD2-CB 3.98Å; L419-W478 HydrophobicContact CD2-CD2 3.86Å; L419-W478 HydrophobicContact CD2-CG 3.54Å; L419-M653 HydrophobicContact CB-CE 4.44Å; L419-M653 HydrophobicContact CD2-CE 3.84Å
420Y97.3Very high94.7Very high3 Ų346.5 Ų46.51%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-102.5126.2172.5-66.4-97.4000108.9L365 I399 Q400 L403 R404 F442 Q446 D454 L458L365-Y420 VanDerWaalsContact CD1-CB 3.42Å; L365-Y420 HydrophobicContact CD1-CD1 3.75Å; L365-Y420 HydrophobicContact CD1-CD2 4.18Å; L365-Y420 HydrophobicContact CD1-CG 3.51Å; I399-Y420 HydrophobicContact CG2-CD1 3.82Å; I399-Y420 HydrophobicContact CG2-CE1 3.7Å; Q400-Y420 PolarHBondContact NE2-OH 3.06Å; L403-Y420 HydrophobicContact CB-CD1 4.17Å; L403-Y420 WeakPolarHBondContact O-CA 3.41Å; R404-Y420 HydrophobicContact CB-CD1 4.07Å; R404-Y420 HydrophobicContact CB-CE1 3.7Å; R404-Y420 WeakPolarHBondContact CD-OH 3.38Å; R404-Y420 HydrophobicContact CG-CD1 4.49Å; R404-Y420 HydrophobicContact CG-CE1 3.94Å; R404-Y420 HydrophobicContact CG-CE2 4.33Å; Y420-F442 HydrophobicContact CD1-CE1 4.43Å; Y420-F442 AromaticContact CE1-CE1 4Å; Y420-F442 HydrophobicContact CE1-CE1 4Å; Y420-F442 HydrophobicContact CE2-CE1 4.4Å; Y420-F442 AromaticContact CZ-CE1 3.99Å; Y420-Q446 PolarHBondContact OH-NE2 2.88Å; Y420-Q446 VanDerWaalsContact OH-NE2 3.13Å; Y420-D454 PolarHBondContact OH-OD2 3.05Å; Y420-L458 HydrophobicContact CD2-CD1 4.07Å; Y420-L458 HydrophobicContact CD2-CD2 3.73Å; Y420-L458 HydrophobicContact CD2-CG 4.4Å; Y420-L458 HydrophobicContact CE2-CD2 4Å
421V97.5Very high95.1Very high3 Ų349.7 Ų49.72%0.01827%0.274CS..  trans-117155.2-171.4-55.30000112.2L403 R405 L419 V423 L430 W478L403-V421 WeakPolarHBondContact O-CG2 3.32Å; L403-V421 PolarHBondContact O-N 3.24Å; R405-V421 HydrophobicContact CB-CG1 4.39Å; R405-V421 HydrophobicContact CG-CB 4.49Å; R405-V421 HydrophobicContact CG-CG1 4Å; R405-V421 HydrophobicContact CG-CG2 3.66Å; L419-V421 HydrophobicContact CD2-CG1 4.2Å; L419-V421 HydrophobicContact CG-CG1 4.23Å; V421-V423 HydrophobicContact CG2-CG1 3.95Å; V421-L430 HydrophobicContact CB-CD1 3.62Å; V421-L430 HydrophobicContact CG1-CD1 4.28Å; V421-L430 HydrophobicContact CG2-CD1 3.48Å; V421-L430 VanDerWaalsContact CG2-CD1 3.48Å; V421-W478 HydrophobicContact CG1-CZ2 4.06Å
422N98.3Very high95.4Very high3 Ų349.7 Ų49.72%0.01627%0.274CS..  trans-75.5124.1174.2-73.9-53.8000111.4Q362 S363 M431 N432 W434Q362-N422 HydrophobicContact CG-CB 4.05Å; Q362-N422 PolarHBondContact NE2-ND2 3.16Å; Q362-N422 PolarHBondContact NE2-OD1 2.97Å; S363-N422 CarbonylContact O-C 3.48Å; S363-N422 WeakPolarHBondContact O-CA 3.19Å; N422-M431 PolarHBondContact O-N 3.27Å; N422-N432 VanDerWaalsContact CB-ND2 3.27Å; N422-N432 WeakPolarHBondContact CB-ND2 3.09Å; N422-N432 WeakPolarHBondContact CB-OD1 3.39Å; N422-N432 PolarHBondContact ND2-ND2 3.41Å; N422-N432 PolarHBondContact ND2-OD1 2.95Å; N422-N432 VanDerWaalsContact ND2-OD1 3.17Å; N422-W434 WeakPolarHBondContact ND2-CZ3 3.23Å; N422-W434 PolarHBondContact ND2-O 3.37Å
423V98.6Very high95.7Very high0 Ų045.1 Ų45.10%026%0.255CS..EExtended strand (participates in β ladder)trans-125.2167.5-179.4-52.40000112.6L346 Q362 S363 Y402 L403 V421 Q429L346-V423 HydrophobicContact CD1-CG2 3.68Å; Q362-V423 WeakPolarHBondContact CA-O 3.44Å; S363-V423 PolarHBondContact N-O 2.9Å; S363-V423 PolarHBondContact O-N 3.43Å; Y402-V423 WeakPolarHBondContact O-CG1 3.3Å; L403-V423 HydrophobicContact CD2-CB 4.32Å; L403-V423 HydrophobicContact CD2-CG1 4.14Å; L403-V423 HydrophobicContact CD2-CG2 3.4Å; V421-V423 HydrophobicContact CG2-CG1 3.95Å; V423-Q429 CarbonylContact C-O 3.6Å; V423-Q429 WeakPolarHBondContact CA-O 3.27Å; V423-Q429 WeakPolarHBondContact CB-O 3.33Å
424N98.6Very high96Very high37 Ų3745 Ų4520%0.19824%0.239CC..EExtended strand (participates in β ladder)trans-75.8126.8167.4-171.7-84.3000110F426 S427 G428 Q429 M431N424-F426 PolarHBondContact O-N 3Å; N424-F426 VanDerWaalsContact O-N 3.1Å; N424-F426 PolarHBondContact OD1-N 3.39Å; N424-S427 PolarHBondContact O-N 2.62Å; N424-S427 PolarHBondContact OD1-N 2.83Å; N424-G428 WeakPolarHBondContact O-CA 3.28Å; N424-G428 PolarHBondContact O-N 3.2Å; N424-Q429 PolarHBondContact N-O 2.92Å; N424-M431 WeakPolarHBondContact CA-SD 3.32Å; N424-M431 HydrophobicContact CB-CG 3.88Å; N424-M431 HydrophobicContact CB-SD 3.76Å
425M98.2Very high96.3Very high0 Ų036.3 Ų36.30%020%0.199CC..THydrogen-bonded Turntrans-57.4-29.4-176.870.4174.4-67.100113.9S341 T344 L346 G348 W358 K361S341-M425 VanDerWaalsContact CB-O 3.31Å; S341-M425 WeakPolarHBondContact CB-O 3.34Å; S341-M425 PolarHBondContact OG-O 3.42Å; T344-M425 PolarHBondContact OG1-O 3.48Å; L346-M425 HydrophobicContact CB-CB 4.15Å; L346-M425 WeakPolarHBondContact O-CE 3.37Å; G348-M425 VanDerWaalsContact CA-SD 3.53Å; G348-M425 PolarHBondContact N-SD 2.95Å; G348-M425 VanDerWaalsContact N-SD 3.37Å; W358-M425 HydrophobicContact CB-SD 3.85Å; W358-M425 HydrophobicContact CD2-CE 4.14Å; W358-M425 HydrophobicContact CD2-SD 3.92Å; W358-M425 HydrophobicContact CG-CE 3.95Å; W358-M425 HydrophobicContact CG-SD 3.51Å; W358-M425 VanDerWaalsContact CG-SD 3.51Å; K361-M425 HydrophobicContact CB-CG 4.32Å; K361-M425 PolarHBondContact O-N 3.49Å
426F98.3Very high96.6Very high81 Ų8134.4 Ų34.436%0.35518%0.179SC..THydrogen-bonded Turntrans-87.7-40.9-176.8-61.7-72.5000112.8T344 K361 N424T344-F426 WeakPolarHBondContact CG2-O 3.39Å; K361-F426 HydrophobicContact CD-CD2 4.3Å; K361-F426 HydrophobicContact CD-CE2 3.89Å; K361-F426 HydrophobicContact CG-CE2 4.07Å; N424-F426 PolarHBondContact O-N 3Å; N424-F426 VanDerWaalsContact O-N 3.1Å; N424-F426 PolarHBondContact OD1-N 3.39Å
427S97.9Very high96.8Very high58 Ų5828.8 Ų28.841%0.40615%0.149SC..THydrogen-bonded Turntrans-101.9-11.2-174.266.40000115.1N424 Q429N424-S427 PolarHBondContact O-N 2.62Å; N424-S427 PolarHBondContact OD1-N 2.83Å; S427-Q429 PolarHBondContact O-N 2.87Å; S427-Q429 VanDerWaalsContact O-N 3.12Å; S427-Q429 WeakPolarHBondContact OG-CB 3.43Å; S427-Q429 WeakPolarHBondContact OG-CG 3.47Å; S427-Q429 PolarHBondContact OG-N 2.93Å
428G97.6Very high97.1Very high8 Ų829.7 Ų29.78%0.08215%0.153CC..  trans65.96.1-172.800000114.5R405 N424R405-G428 PolarHBondContact NH2-O 3.33Å; N424-G428 WeakPolarHBondContact O-CA 3.28Å; N424-G428 PolarHBondContact O-N 3.2Å
429Q97.9Very high97.3Very high138 Ų13829.6 Ų29.665%0.64515%0.152SC*.  trans-79.2142.2-179.6-66.6176.8-11.800111.3V423 N424 S427 M431V423-Q429 CarbonylContact C-O 3.6Å; V423-Q429 WeakPolarHBondContact CA-O 3.27Å; V423-Q429 WeakPolarHBondContact CB-O 3.33Å; N424-Q429 PolarHBondContact N-O 2.92Å; S427-Q429 PolarHBondContact O-N 2.87Å; S427-Q429 VanDerWaalsContact O-N 3.12Å; S427-Q429 WeakPolarHBondContact OG-CB 3.43Å; S427-Q429 WeakPolarHBondContact OG-CG 3.47Å; S427-Q429 PolarHBondContact OG-N 2.93Å; Q429-M431 PolarHBondContact O-N 2.91Å
430L97.8Very high97.5Very high85 Ų8529.3 Ų29.345%0.44515%0.151SC..BIsolated β-bridgetrans-52.8128.5176.8-171.173.8000111.3V421 N432 T433 W478V421-L430 HydrophobicContact CB-CD1 3.62Å; V421-L430 HydrophobicContact CG1-CD1 4.28Å; V421-L430 HydrophobicContact CG2-CD1 3.48Å; V421-L430 VanDerWaalsContact CG2-CD1 3.48Å; L430-N432 VanDerWaalsContact CD1-O 3.27Å; L430-N432 WeakPolarHBondContact CD1-O 3.45Å; L430-N432 WeakPolarHBondContact CG-O 3.4Å; L430-T433 HydrophobicContact CD2-CG2 4.14Å; L430-W478 HydrophobicContact CD1-CZ2 4.22Å; L430-W478 HydrophobicContact CD2-CH2 4.39Å; L430-W478 HydrophobicContact CD2-CZ2 4.23Å
431M96.8Very high97.5Very high71 Ų7129.6 Ų29.635%0.3515%0.152SC..  trans-101.2-30.6179.2-90.8-172.761.900113.8Q362 N422 N424 Q429Q362-M431 HydrophobicContact CB-CE 3.95Å; Q362-M431 HydrophobicContact CB-SD 4.12Å; N422-M431 PolarHBondContact O-N 3.27Å; N424-M431 WeakPolarHBondContact CA-SD 3.32Å; N424-M431 HydrophobicContact CB-CG 3.88Å; N424-M431 HydrophobicContact CB-SD 3.76Å; Q429-M431 PolarHBondContact O-N 2.91Å
432N95.9Very high97.6Very high26 Ų2629.5 Ų29.514%0.13915%0.152CC..  trans-154.2175179.368.856.4000110.1Q362 N422 L430 W434Q362-N432 VanDerWaalsContact CD-ND2 3.35Å; Q362-N432 PolarHBondContact NE2-ND2 3.45Å; Q362-N432 PolarHBondContact OE1-ND2 2.73Å; N422-N432 VanDerWaalsContact CB-ND2 3.27Å; N422-N432 WeakPolarHBondContact CB-ND2 3.09Å; N422-N432 WeakPolarHBondContact CB-OD1 3.39Å; N422-N432 PolarHBondContact ND2-ND2 3.41Å; N422-N432 PolarHBondContact ND2-OD1 2.95Å; N422-N432 VanDerWaalsContact ND2-OD1 3.17Å; L430-N432 VanDerWaalsContact CD1-O 3.27Å; L430-N432 WeakPolarHBondContact CD1-O 3.45Å; L430-N432 WeakPolarHBondContact CG-O 3.4Å; N432-W434 HydrophobicContact CB-CG 4.48Å; N432-W434 VanDerWaalsContact ND2-CE2 3.32Å; N432-W434 WeakPolarHBondContact ND2-CZ2 3.33Å; N432-W434 PolarHBondContact OD1-N 3.28Å; N432-W434 VanDerWaalsContact OD1-N 3.09Å; N432-W434 PolarHBondContact OD1-O 3.48Å
433T96.7Very high97.6Very high28 Ų2829.4 Ų29.417%0.17215%0.151CC..SBendtrans-117.221.5-179.653.10000113L430 N477 W478 Q479L430-T433 HydrophobicContact CD2-CG2 4.14Å; T433-N477 CarbonylContact O-C 3.44Å; T433-N477 WeakPolarHBondContact O-CA 3.44Å; T433-N477 PolarHBondContact O-OD1 3.37Å; T433-N477 PolarHBondContact OG1-ND2 3.37Å; T433-N477 VanDerWaalsContact OG1-ND2 3.14Å; T433-N477 PolarHBondContact OG1-OD1 3.36Å; T433-W478 HydrophobicContact CG2-CH2 4.18Å; T433-W478 HydrophobicContact CG2-CZ2 3.9Å; T433-W478 PolarHBondContact O-N 3.47Å; T433-W478 PolarHBondContact O-NE1 3.31Å; T433-Q479 HydrophobicContact CG2-CB 4.2Å
434W96.9Very high97.6Very high43 Ų4329.4 Ų29.416%0.16315%0.151CC..EExtended strand (participates in β ladder)trans-110.7153.817360-104.4000111.7Q362 N422 N432 D436 R475 Y476Q362-W434 VanDerWaalsContact NE2-CH2 3.29Å; N422-W434 WeakPolarHBondContact ND2-CZ3 3.23Å; N422-W434 PolarHBondContact ND2-O 3.37Å; N432-W434 HydrophobicContact CB-CG 4.48Å; N432-W434 VanDerWaalsContact ND2-CE2 3.32Å; N432-W434 WeakPolarHBondContact ND2-CZ2 3.33Å; N432-W434 PolarHBondContact OD1-N 3.28Å; N432-W434 VanDerWaalsContact OD1-N 3.09Å; N432-W434 PolarHBondContact OD1-O 3.48Å; W434-D436 HydrophobicContact CZ3-CB 4.2Å; W434-R475 HydrophobicContact CE3-CG 4.02Å; W434-R475 HydrophobicContact CZ3-CG 4.38Å; W434-Y476 CarbonylContact C-O 3.53Å; W434-Y476 VanDerWaalsContact CA-O 3.24Å; W434-Y476 WeakPolarHBondContact CA-O 3.42Å
435I96.6Very high97.5Very high1 Ų127.8 Ų27.81%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-124.9148.4163.964.4-176.9000107.8L419 F461 Y462 R475 Y476L419-I435 HydrophobicContact CD1-CD1 3.82Å; L419-I435 HydrophobicContact CD1-CG2 4.49Å; I435-F461 HydrophobicContact CD1-CD1 4.03Å; I435-F461 HydrophobicContact CD1-CE1 3.42Å; I435-F461 VanDerWaalsContact CD1-CE1 3.42Å; I435-F461 HydrophobicContact CD1-CZ 4.33Å; I435-Y462 HydrophobicContact CD1-CE1 3.67Å; I435-Y462 WeakPolarHBondContact CD1-OH 3.3Å; I435-Y462 HydrophobicContact CG1-CE1 4.28Å; I435-R475 CarbonylContact O-C 3.56Å; I435-R475 WeakPolarHBondContact O-CA 3.34Å; I435-Y476 PolarHBondContact N-O 3.27Å; I435-Y476 PolarHBondContact O-N 2.82Å
436D96Very high97.5Very high4 Ų427.8 Ų27.82%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-94.8156.9176.952.6103.4000111.7G366 A367 W434 L438 Q439 E474 R475G366-D436 WeakPolarHBondContact CA-OD1 3.42Å; G366-D436 WeakPolarHBondContact CA-OD2 3.37Å; A367-D436 PolarHBondContact N-OD1 3.11Å; W434-D436 HydrophobicContact CZ3-CB 4.2Å; D436-L438 HydrophobicContact CB-CD1 4.33Å; D436-L438 PolarHBondContact O-N 3.27Å; D436-Q439 WeakPolarHBondContact O-CB 3.19Å; D436-Q439 PolarHBondContact O-N 3.43Å; D436-Q439 PolarHBondContact OD2-NE2 3.49Å; D436-E474 WeakPolarHBondContact CA-O 3.32Å; D436-E474 WeakPolarHBondContact CB-O 3.15Å; D436-R475 HydrophobicContact CB-CG 4.1Å
437S97Very high97.4Very high2 Ų224.9 Ų24.91%0.01413%0.131CC..G310 helixtrans-64.5-26.9-175.654.90000113.8Q439 A440 E474S437-Q439 PolarHBondContact O-N 3.26Å; S437-A440 WeakPolarHBondContact O-CB 3.5Å; S437-A440 PolarHBondContact O-N 3.3Å; S437-A440 VanDerWaalsContact O-N 3.07Å; S437-E474 PolarHBondContact N-O 3.05Å; S437-E474 VanDerWaalsContact N-O 3.08Å; S437-E474 PolarHBondContact OG-OE2 3.35Å
438L97.5Very high97.2Very high24 Ų2425.3 Ų25.313%0.12613%0.129CC..G310 helixtrans-63-31.4-178.7-60.579.3000111.2A367 D436 A440 F441A367-L438 HydrophobicContact CB-CD1 4.43Å; A367-L438 HydrophobicContact CB-CD2 4.27Å; D436-L438 HydrophobicContact CB-CD1 4.33Å; D436-L438 PolarHBondContact O-N 3.27Å; L438-A440 PolarHBondContact O-N 3.09Å; L438-F441 VanDerWaalsContact O-CD1 3.31Å; L438-F441 WeakPolarHBondContact O-CD1 3.37Å; L438-F441 PolarHBondContact O-N 3.14Å
439Q97.6Very high97Very high1 Ų127.6 Ų27.61%0.00514%0.138CC..G310 helixtrans-56-14.9174.1-64-169.836.100114.2L365 D436 S437 F441 F442 Y462L365-Q439 HydrophobicContact CB-CB 4.44Å; L365-Q439 HydrophobicContact CB-CG 4.02Å; D436-Q439 WeakPolarHBondContact O-CB 3.19Å; D436-Q439 PolarHBondContact O-N 3.43Å; D436-Q439 PolarHBondContact OD2-NE2 3.49Å; S437-Q439 PolarHBondContact O-N 3.26Å; Q439-F441 PolarHBondContact O-N 3.05Å; Q439-F442 PolarHBondContact O-N 3.16Å; Q439-Y462 WeakPolarHBondContact CB-OH 3.43Å
440A98.4Very high96.7Very high0 Ų023.7 Ų23.70%014%0.135CC..G310 helixtrans-67.1-5.6172.800000114.1S437 L438 P443 Y462 L472 E493 L494 S497S437-A440 WeakPolarHBondContact O-CB 3.5Å; S437-A440 PolarHBondContact O-N 3.3Å; S437-A440 VanDerWaalsContact O-N 3.07Å; L438-A440 PolarHBondContact O-N 3.09Å; A440-P443 WeakPolarHBondContact O-CD 3.26Å; A440-Y462 HydrophobicContact CB-CD1 4.07Å; A440-Y462 HydrophobicContact CB-CD2 3.82Å; A440-Y462 HydrophobicContact CB-CE1 4.41Å; A440-Y462 HydrophobicContact CB-CE2 4.17Å; A440-Y462 HydrophobicContact CB-CG 3.79Å; A440-L472 HydrophobicContact CB-CD1 3.99Å; A440-E493 HydrophobicContact CB-CB 4.19Å; A440-E493 CarbonylContact O-C 3.57Å; A440-E493 VanDerWaalsContact O-O 3.09Å; A440-L494 HydrophobicContact CB-CB 4.09Å; A440-S497 WeakPolarHBondContact O-CB 3.49Å; A440-S497 PolarHBondContact O-OG 2.95Å
441F98.5Very high96.6Very high9 Ų921.8 Ų21.84%0.03913%0.125CC..G310 helixtrans-73.1-29.5171.192.6-69.9000112.3L365 D370 E374 L438 Q439 P443 G444 L445 E493 S497L365-F441 WeakPolarHBondContact O-CE1 3.03Å; D370-F441 HydrophobicContact CB-CD1 4.32Å; D370-F441 HydrophobicContact CB-CE1 3.84Å; D370-F441 HydrophobicContact CB-CZ 4.12Å; D370-F441 VanDerWaalsContact O-CZ 3.3Å; D370-F441 WeakPolarHBondContact O-CZ 3.5Å; E374-F441 HydrophobicContact CB-CE2 4.03Å; E374-F441 HydrophobicContact CG-CE2 4.31Å; L438-F441 VanDerWaalsContact O-CD1 3.31Å; L438-F441 WeakPolarHBondContact O-CD1 3.37Å; L438-F441 PolarHBondContact O-N 3.14Å; Q439-F441 PolarHBondContact O-N 3.05Å; F441-P443 VanDerWaalsContact C-CD 3.47Å; F441-G444 WeakPolarHBondContact O-CA 3.34Å; F441-G444 PolarHBondContact O-N 3.14Å; F441-L445 HydrophobicContact CE2-CB 4.32Å; F441-L445 HydrophobicContact CE2-CD2 3.9Å; F441-L445 HydrophobicContact CZ-CD2 4.25Å; F441-L445 PolarHBondContact O-N 3.08Å; F441-E493 HydrophobicContact CB-CB 3.94Å; F441-E493 HydrophobicContact CB-CG 4.19Å; F441-S497 PolarHBondContact O-OG 2.66Å
442F98.5Very high96.4Very high1 Ų119.7 Ų19.70%0.00412%0.116CC..Hα-helixtrans-62.3-35.4-167.7-165.6-108.4000114.6L365 Y396 I399 Y420 Q439 G444 L445 Q446 L458L365-F442 HydrophobicContact CD1-CB 3.98Å; L365-F442 HydrophobicContact CD1-CD1 3.48Å; L365-F442 VanDerWaalsContact CD1-CD1 3.48Å; L365-F442 HydrophobicContact CD1-CD2 3.94Å; L365-F442 HydrophobicContact CD1-CE1 3.81Å; L365-F442 HydrophobicContact CD1-CE2 4.25Å; L365-F442 HydrophobicContact CD1-CG 3.54Å; L365-F442 HydrophobicContact CD1-CZ 4.19Å; L365-F442 HydrophobicContact CD2-CD2 3.83Å; L365-F442 HydrophobicContact CD2-CE1 4.44Å; L365-F442 HydrophobicContact CD2-CE2 3.65Å; L365-F442 HydrophobicContact CD2-CG 4.32Å; L365-F442 HydrophobicContact CD2-CZ 3.97Å; L365-F442 HydrophobicContact CG-CD2 4.39Å; L365-F442 HydrophobicContact CG-CG 4.43Å; Y396-F442 HydrophobicContact CD2-CZ 4Å; Y396-F442 HydrophobicContact CE2-CE1 4.12Å; Y396-F442 HydrophobicContact CE2-CE2 4.47Å; Y396-F442 AromaticContact CE2-CZ 3.57Å; Y396-F442 HydrophobicContact CE2-CZ 3.57Å; I399-F442 HydrophobicContact CD1-CE2 4.25Å; I399-F442 HydrophobicContact CD1-CZ 4.35Å; I399-F442 HydrophobicContact CG2-CE1 4.36Å; I399-F442 HydrophobicContact CG2-CZ 3.83Å; Y420-F442 HydrophobicContact CD1-CE1 4.43Å; Y420-F442 AromaticContact CE1-CE1 4Å; Y420-F442 HydrophobicContact CE1-CE1 4Å; Y420-F442 HydrophobicContact CE2-CE1 4.4Å; Y420-F442 AromaticContact CZ-CE1 3.99Å; Q439-F442 PolarHBondContact O-N 3.16Å; F442-G444 PolarHBondContact O-N 2.53Å; F442-L445 HydrophobicContact CD2-CB 4.45Å; F442-L445 HydrophobicContact CD2-CD2 4.03Å; F442-L445 HydrophobicContact CE2-CD2 4.05Å; F442-L445 WeakPolarHBondContact O-CB 3.39Å; F442-L445 PolarHBondContact O-N 3.37Å; F442-L445 VanDerWaalsContact O-N 3.09Å; F442-Q446 HydrophobicContact CD1-CG 3.76Å; F442-Q446 VanDerWaalsContact CE1-CD 3.45Å; F442-Q446 HydrophobicContact CE1-CG 3.63Å; F442-Q446 HydrophobicContact CG-CG 4.48Å; F442-Q446 HydrophobicContact CZ-CG 4.23Å; F442-Q446 WeakPolarHBondContact O-CG 3.27Å; F442-Q446 PolarHBondContact O-N 3.11Å; F442-L458 HydrophobicContact CB-CD2 4.09Å; F442-L458 HydrophobicContact CD1-CD2 3.85Å; F442-L458 HydrophobicContact CG-CD2 4.46Å
443P98.4Very high96.2Very high0 Ų021.6 Ų21.60%012%0.124CC..Hα-helixtrans-56.3-36.1169.9-23.332.4000113.5A440 F441 Q446 V447 A455 L458 H459 S497 L501A440-P443 WeakPolarHBondContact O-CD 3.26Å; F441-P443 VanDerWaalsContact C-CD 3.47Å; P443-Q446 PolarHBondContact O-N 3.25Å; P443-V447 WeakPolarHBondContact O-CG2 3.15Å; P443-V447 PolarHBondContact O-N 3.49Å; P443-A455 HydrophobicContact CB-CB 4.08Å; P443-A455 WeakPolarHBondContact O-CB 3.36Å; P443-L458 HydrophobicContact CG-CB 4.03Å; P443-L458 HydrophobicContact CG-CD2 3.96Å; P443-L458 HydrophobicContact CG-CG 3.9Å; P443-H459 HydrophobicContact CB-CB 4.1Å; P443-H459 HydrophobicContact CG-CB 4.15Å; P443-S497 WeakPolarHBondContact CB-OG 3.12Å; P443-S497 WeakPolarHBondContact CD-OG 3.34Å; P443-L501 HydrophobicContact CB-CD1 4.32Å
444G97.7Very high96Very high0 Ų020.8 Ų20.80%012%0.119CC..Hα-helixtrans-61.8-45.4172.200000112.5F441 F442 Q446 V447 L448 S497F441-G444 WeakPolarHBondContact O-CA 3.34Å; F441-G444 PolarHBondContact O-N 3.14Å; F442-G444 PolarHBondContact O-N 2.53Å; G444-Q446 VanDerWaalsContact C-N 3.35Å; G444-Q446 PolarHBondContact O-N 3.47Å; G444-V447 WeakPolarHBondContact O-CB 3.22Å; G444-V447 PolarHBondContact O-N 3.24Å; G444-L448 PolarHBondContact O-N 3.22Å; G444-L448 VanDerWaalsContact O-N 3.08Å; G444-S497 PolarHBondContact N-OG 3.33Å
445L97.8Very high96Very high4 Ų418.8 Ų18.82%0.02111%0.112CC..Hα-helixtrans-64.2-38.1174.4-175.158000112.4E374 L377 F392 F441 F442 L448 I449E374-L445 HydrophobicContact CB-CD2 4.49Å; E374-L445 HydrophobicContact CG-CD1 4.46Å; L377-L445 HydrophobicContact CB-CD1 4.18Å; L377-L445 HydrophobicContact CD2-CD1 3.55Å; F392-L445 HydrophobicContact CE2-CD1 4.24Å; F392-L445 HydrophobicContact CE2-CD2 4.17Å; F392-L445 HydrophobicContact CE2-CG 4.31Å; F441-L445 HydrophobicContact CE2-CB 4.32Å; F441-L445 HydrophobicContact CE2-CD2 3.9Å; F441-L445 HydrophobicContact CZ-CD2 4.25Å; F441-L445 PolarHBondContact O-N 3.08Å; F442-L445 HydrophobicContact CD2-CB 4.45Å; F442-L445 HydrophobicContact CD2-CD2 4.03Å; F442-L445 HydrophobicContact CE2-CD2 4.05Å; F442-L445 WeakPolarHBondContact O-CB 3.39Å; F442-L445 PolarHBondContact O-N 3.37Å; F442-L445 VanDerWaalsContact O-N 3.09Å; L445-L448 HydrophobicContact CD1-CD1 4.44Å; L445-L448 WeakPolarHBondContact O-CB 3.31Å; L445-L448 PolarHBondContact O-N 2.96Å; L445-I449 PolarHBondContact O-N 3.43Å
446Q97.6Very high95.9Very high0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-65.6-38174.5-71.5-176.5-61.400112.1Y396 Y420 F442 P443 G444 I449 G450 D451 D454 A455Y396-Q446 HydrophobicContact CE2-CG 4.17Å; Y396-Q446 PolarHBondContact OH-NE2 3.47Å; Y420-Q446 PolarHBondContact OH-NE2 2.88Å; Y420-Q446 VanDerWaalsContact OH-NE2 3.13Å; F442-Q446 HydrophobicContact CD1-CG 3.76Å; F442-Q446 VanDerWaalsContact CE1-CD 3.45Å; F442-Q446 HydrophobicContact CE1-CG 3.63Å; F442-Q446 HydrophobicContact CG-CG 4.48Å; F442-Q446 HydrophobicContact CZ-CG 4.23Å; F442-Q446 WeakPolarHBondContact O-CG 3.27Å; F442-Q446 PolarHBondContact O-N 3.11Å; P443-Q446 PolarHBondContact O-N 3.25Å; G444-Q446 VanDerWaalsContact C-N 3.35Å; G444-Q446 PolarHBondContact O-N 3.47Å; Q446-I449 WeakPolarHBondContact O-CG1 3.35Å; Q446-I449 PolarHBondContact O-N 3.29Å; Q446-G450 PolarHBondContact O-N 2.94Å; Q446-D451 HydrophobicContact CB-CB 4.3Å; Q446-D451 PolarHBondContact O-N 3.33Å; Q446-D454 VanDerWaalsContact NE2-CB 3.31Å; Q446-A455 HydrophobicContact CB-CB 3.78Å
447V96Very high95.8Very high20 Ų2018.9 Ų18.912%0.12111%0.112CC..Hα-helixtrans-61.1-42.5170.9166.20000111.8P443 G444 I449 G450 A455 L500 L501 A504P443-V447 WeakPolarHBondContact O-CG2 3.15Å; P443-V447 PolarHBondContact O-N 3.49Å; G444-V447 WeakPolarHBondContact O-CB 3.22Å; G444-V447 PolarHBondContact O-N 3.24Å; V447-I449 PolarHBondContact O-N 3.07Å; V447-G450 PolarHBondContact O-N 3.29Å; V447-A455 HydrophobicContact CG2-CB 3.97Å; V447-L500 HydrophobicContact CB-CB 4.46Å; V447-L500 HydrophobicContact CG1-CB 4.23Å; V447-L501 HydrophobicContact CG2-CD2 3.47Å; V447-L501 VanDerWaalsContact CG2-CD2 3.47Å; V447-L501 HydrophobicContact CG2-CG 3.77Å; V447-A504 HydrophobicContact CG1-CB 3.66Å
448L93.3Very high95.8Very high67 Ų6718.9 Ų18.935%0.35111%0.112SC..Hα-helixtrans-61-28.6179.8-72.5170.2000113.4L377 G444 L445L377-L448 HydrophobicContact CD2-CB 3.76Å; G444-L448 PolarHBondContact O-N 3.22Å; G444-L448 VanDerWaalsContact O-N 3.08Å; L445-L448 HydrophobicContact CD1-CD1 4.44Å; L445-L448 WeakPolarHBondContact O-CB 3.31Å; L445-L448 PolarHBondContact O-N 2.96Å
449I94.4Very high95.8Very high55 Ų5517.8 Ų17.828%0.28211%0.106SC..Hα-helixtrans-95.2-3.8176.666.2169.8000114.1L377 F392 Y396 L445 Q446 V447 D451L377-I449 HydrophobicContact CD1-CG2 3.9Å; L377-I449 HydrophobicContact CD2-CG2 3.39Å; L377-I449 HydrophobicContact CG-CG2 4.28Å; F392-I449 HydrophobicContact CD1-CG2 4.49Å; F392-I449 HydrophobicContact CE1-CD1 4.19Å; F392-I449 HydrophobicContact CE1-CG2 3.56Å; F392-I449 HydrophobicContact CZ-CD1 4.17Å; F392-I449 HydrophobicContact CZ-CG2 3.69Å; Y396-I449 HydrophobicContact CD1-CD1 4.09Å; Y396-I449 HydrophobicContact CD2-CD1 3.94Å; Y396-I449 HydrophobicContact CE1-CD1 3.76Å; Y396-I449 HydrophobicContact CE2-CD1 3.61Å; Y396-I449 HydrophobicContact CG-CD1 4.18Å; L445-I449 PolarHBondContact O-N 3.43Å; Q446-I449 WeakPolarHBondContact O-CG1 3.35Å; Q446-I449 PolarHBondContact O-N 3.29Å; V447-I449 PolarHBondContact O-N 3.07Å; I449-D451 HydrophobicContact CD1-CB 4.13Å; I449-D451 HydrophobicContact CG1-CB 4.09Å
450G92.4Very high95.8Very high56 Ų5618.1 Ų18.158%0.57711%0.11SC*.THydrogen-bonded Turntrans87.17.6-178.600000115.8Q446 V447 V452Q446-G450 PolarHBondContact O-N 2.94Å; V447-G450 PolarHBondContact O-N 3.29Å; G450-V452 PolarHBondContact O-N 3.23Å
451D94.1Very high95.8Very high45 Ų4518.2 Ų18.224%0.24111%0.11CC..  trans-83.460.8174.8-162.5-9.9000111.2Y396 Q446 I449 E453 A455Y396-D451 PolarHBondContact OH-OD2 3.37Å; Q446-D451 HydrophobicContact CB-CB 4.3Å; Q446-D451 PolarHBondContact O-N 3.33Å; I449-D451 HydrophobicContact CD1-CB 4.13Å; I449-D451 HydrophobicContact CG1-CB 4.09Å; D451-E453 VanDerWaalsContact C-N 3.29Å; D451-E453 PolarHBondContact O-N 3.43Å; D451-A455 WeakPolarHBondContact O-CB 3.2Å; D451-A455 PolarHBondContact O-N 3.19Å
452V93.4Very high95.8Very high27 Ų2718 Ų1816%0.16411%0.109CC..Hα-helixtrans-68.6-26.8-172.2-1780000112.1G450 I456 L501 T505G450-V452 PolarHBondContact O-N 3.23Å; V452-I456 HydrophobicContact CG1-CD1 4.04Å; V452-I456 HydrophobicContact CG1-CG1 4.39Å; V452-I456 WeakPolarHBondContact O-CD1 3.38Å; V452-I456 WeakPolarHBondContact O-CG1 3.2Å; V452-I456 PolarHBondContact O-N 3.3Å; V452-L501 HydrophobicContact CG1-CD2 4.38Å; V452-T505 HydrophobicContact CG1-CG2 3.91Å
453E90.8Very high95.8Very high66 Ų6618.4 Ų18.431%0.30811%0.11SC..Hα-helixtrans-71.5-47.3-178.8-63.1-55.1131.700112.7C410 D451 A455 I456 C457 R636C410-E453 HydrophobicContact CB-CB 4.27Å; C410-E453 VanDerWaalsContact CB-O 3.23Å; C410-E453 WeakPolarHBondContact CB-O 3.34Å; C410-E453 PolarHBondContact SG-O 3.37Å; D451-E453 VanDerWaalsContact C-N 3.29Å; D451-E453 PolarHBondContact O-N 3.43Å; E453-A455 VanDerWaalsContact C-N 3.31Å; E453-I456 PolarHBondContact O-N 3.3Å; E453-C457 PolarHBondContact O-N 3.09Å; E453-R636 VanDerWaalsContact CD-NH2 3.3Å; E453-R636 IonicContact OE1-CZ 3.33Å; E453-R636 IonicContact OE1-NH1 2.89Å; E453-R636 PolarHBondContact OE1-NH1 3.44Å; E453-R636 IonicContact OE1-NH2 3.52Å; E453-R636 PolarHBondContact OE1-NH2 3.2Å; E453-R636 IonicContact OE2-CZ 3.86Å; E453-R636 IonicContact OE2-NH1 3.86Å; E453-R636 IonicContact OE2-NH2 3.43Å; E453-R636 PolarHBondContact OE2-NH2 3.49Å
454D92.8Very high95.7Very high12 Ų1218.4 Ų18.46%0.06411%0.111CC..Hα-helixtrans-66.8-37175.3-93.76.9000111.3Q400 R404 Y420 Q446 I456 C457 L458Q400-D454 PolarHBondContact NE2-OD2 3.33Å; R404-D454 IonicContact CZ-OD1 3.52Å; R404-D454 IonicContact CZ-OD2 3.57Å; R404-D454 IonicContact NE-OD1 3.49Å; R404-D454 PolarHBondContact NE-OD1 2.9Å; R404-D454 IonicContact NE-OD2 2.75Å; R404-D454 PolarHBondContact NE-OD2 3.17Å; R404-D454 IonicContact NH2-OD1 2.71Å; R404-D454 PolarHBondContact NH2-OD1 3.27Å; R404-D454 IonicContact NH2-OD2 3.53Å; Y420-D454 PolarHBondContact OH-OD2 3.05Å; Q446-D454 VanDerWaalsContact NE2-CB 3.31Å; D454-I456 PolarHBondContact O-N 3.33Å; D454-C457 WeakPolarHBondContact O-CB 3.5Å; D454-C457 PolarHBondContact O-N 3.25Å; D454-L458 PolarHBondContact O-N 3.2Å
455A96.5Very high95.8Very high0 Ų018.5 Ų18.50%011%0.111CC..Hα-helixtrans-57.3-46.2174.200000112.1P443 Q446 V447 D451 E453 C457 H459 L501P443-A455 HydrophobicContact CB-CB 4.08Å; P443-A455 WeakPolarHBondContact O-CB 3.36Å; Q446-A455 HydrophobicContact CB-CB 3.78Å; V447-A455 HydrophobicContact CG2-CB 3.97Å; D451-A455 WeakPolarHBondContact O-CB 3.2Å; D451-A455 PolarHBondContact O-N 3.19Å; E453-A455 VanDerWaalsContact C-N 3.31Å; A455-C457 PolarHBondContact O-N 3.28Å; A455-H459 WeakPolarHBondContact O-CB 3.44Å; A455-H459 PolarHBondContact O-N 3.03Å; A455-L501 HydrophobicContact CB-CD2 3.88Å
456I95.5Very high95.8Very high6 Ų618.5 Ų18.53%0.03111%0.111CC..Hα-helixtrans-54.6-43.1173.3-73.4160.1000110.9V452 E453 D454 A460 L501 Y510 P641 L642V452-I456 HydrophobicContact CG1-CD1 4.04Å; V452-I456 HydrophobicContact CG1-CG1 4.39Å; V452-I456 WeakPolarHBondContact O-CD1 3.38Å; V452-I456 WeakPolarHBondContact O-CG1 3.2Å; V452-I456 PolarHBondContact O-N 3.3Å; E453-I456 PolarHBondContact O-N 3.3Å; D454-I456 PolarHBondContact O-N 3.33Å; I456-A460 WeakPolarHBondContact O-CB 3.46Å; I456-A460 PolarHBondContact O-N 2.92Å; I456-A460 VanDerWaalsContact O-N 3.09Å; I456-L501 HydrophobicContact CG1-CD2 4.19Å; I456-Y510 WeakPolarHBondContact CG1-OH 3.46Å; I456-P641 HydrophobicContact CD1-CB 4.41Å; I456-P641 HydrophobicContact CG1-CB 4.28Å; I456-P641 HydrophobicContact CG2-CB 3.71Å; I456-L642 HydrophobicContact CG2-CB 4.29Å
457C93.9Very high95.8Very high1 Ų121.6 Ų21.61%0.00712%0.124CC..Hα-helixtrans-70.9-49.3-174.3-150.30000112.8C410 P418 E453 D454 A455 A460 F461C410-C457 HydrophobicContact CB-CB 3.88Å; C410-C457 WeakPolarHBondContact SG-CB 3.46Å; P418-C457 HydrophobicContact CB-CB 4.41Å; P418-C457 WeakPolarHBondContact CD-SG 3.48Å; P418-C457 HydrophobicContact CG-CB 4.43Å; E453-C457 PolarHBondContact O-N 3.09Å; D454-C457 WeakPolarHBondContact O-CB 3.5Å; D454-C457 PolarHBondContact O-N 3.25Å; A455-C457 PolarHBondContact O-N 3.28Å; C457-A460 PolarHBondContact O-N 3.24Å; C457-F461 PolarHBondContact O-N 3.19Å
458L96.8Very high95.8Very high3 Ų325 Ų252%0.01614%0.135CC..Hα-helixtrans-69-37.4-178.1-178.662.3000111L419 Y420 F442 P443 D454 F461 Y462L419-L458 HydrophobicContact CD1-CD1 4.41Å; Y420-L458 HydrophobicContact CD2-CD1 4.07Å; Y420-L458 HydrophobicContact CD2-CD2 3.73Å; Y420-L458 HydrophobicContact CD2-CG 4.4Å; Y420-L458 HydrophobicContact CE2-CD2 4Å; F442-L458 HydrophobicContact CB-CD2 4.09Å; F442-L458 HydrophobicContact CD1-CD2 3.85Å; F442-L458 HydrophobicContact CG-CD2 4.46Å; P443-L458 HydrophobicContact CG-CB 4.03Å; P443-L458 HydrophobicContact CG-CD2 3.96Å; P443-L458 HydrophobicContact CG-CG 3.9Å; D454-L458 PolarHBondContact O-N 3.2Å; L458-F461 WeakPolarHBondContact O-CB 3.4Å; L458-F461 PolarHBondContact O-N 3.22Å; L458-Y462 HydrophobicContact CD1-CD2 4.27Å; L458-Y462 HydrophobicContact CD1-CE2 3.6Å; L458-Y462 HydrophobicContact CD2-CE2 4.45Å; L458-Y462 HydrophobicContact CG-CD2 4.24Å; L458-Y462 HydrophobicContact CG-CE2 3.8Å; L458-Y462 VanDerWaalsContact O-CD2 3.24Å; L458-Y462 WeakPolarHBondContact O-CD2 3.48Å; L458-Y462 PolarHBondContact O-N 3.28Å
459H98.2Very high96.1Very high0 Ų022.7 Ų22.70%012%0.122CC..Hα-helixtrans-60.7-45.2171.8176.7-91.7000112.4P443 A455 F461 Y462 Y463 T498 L501 Y510P443-H459 HydrophobicContact CB-CB 4.1Å; P443-H459 HydrophobicContact CG-CB 4.15Å; A455-H459 WeakPolarHBondContact O-CB 3.44Å; A455-H459 PolarHBondContact O-N 3.03Å; H459-F461 PolarHBondContact O-N 3.08Å; H459-Y462 PolarHBondContact O-N 3.35Å; H459-Y463 WeakPolarHBondContact O-CB 3.41Å; H459-Y463 PolarHBondContact O-N 3.14Å; H459-T498 PolarHBondContact NE2-OG1 2.71Å; H459-L501 HydrophobicContact CB-CD1 3.41Å; H459-L501 VanDerWaalsContact CB-CD1 3.41Å; H459-L501 VanDerWaalsContact CG-CD1 3.45Å; H459-Y510 AromaticContact CE1-CD1 3.72Å; H459-Y510 AromaticContact CE1-CE1 3.65Å; H459-Y510 AromaticContact ND1-CE1 3.55Å
460A97.2Very high96.2Very high9 Ų920.5 Ų20.57%0.07411%0.113CC..Hα-helixtrans-60-35177.800000112.3I456 C457 Y463 A464 L642 I650I456-A460 WeakPolarHBondContact O-CB 3.46Å; I456-A460 PolarHBondContact O-N 2.92Å; I456-A460 VanDerWaalsContact O-N 3.09Å; C457-A460 PolarHBondContact O-N 3.24Å; A460-Y463 PolarHBondContact O-N 2.82Å; A460-A464 WeakPolarHBondContact O-CB 3.15Å; A460-A464 PolarHBondContact O-N 3.28Å; A460-L642 HydrophobicContact CB-CD2 4.27Å; A460-I650 HydrophobicContact CB-CD1 3.76Å
461F97.3Very high96.5Very high1 Ų117.9 Ų17.90%0.0049%0.086CC..Hα-helixtrans-61.9-51.8174.3-175.1-88.4000112.5L419 I435 C457 L458 H459 Y463 A464 I465 Y476 W478 I650 M653 V654L419-F461 HydrophobicContact CD1-CD1 4.16Å; L419-F461 HydrophobicContact CD1-CE1 4.05Å; L419-F461 HydrophobicContact CD1-CG 4.49Å; L419-F461 HydrophobicContact CD1-CZ 4.28Å; I435-F461 HydrophobicContact CD1-CD1 4.03Å; I435-F461 HydrophobicContact CD1-CE1 3.42Å; I435-F461 VanDerWaalsContact CD1-CE1 3.42Å; I435-F461 HydrophobicContact CD1-CZ 4.33Å; C457-F461 PolarHBondContact O-N 3.19Å; L458-F461 WeakPolarHBondContact O-CB 3.4Å; L458-F461 PolarHBondContact O-N 3.22Å; H459-F461 PolarHBondContact O-N 3.08Å; F461-Y463 VanDerWaalsContact C-N 3.35Å; F461-Y463 PolarHBondContact O-N 3.03Å; F461-A464 PolarHBondContact O-N 3.04Å; F461-I465 HydrophobicContact CD1-CD1 3.99Å; F461-I465 HydrophobicContact CE1-CD1 3.49Å; F461-I465 VanDerWaalsContact CE1-CD1 3.49Å; F461-I465 HydrophobicContact CE1-CG1 4.38Å; F461-I465 HydrophobicContact CZ-CD1 4.21Å; F461-I465 PolarHBondContact O-N 2.99Å; F461-Y476 HydrophobicContact CE1-CD1 4.47Å; F461-Y476 HydrophobicContact CZ-CD1 4.36Å; F461-Y476 HydrophobicContact CZ-CE1 4.28Å; F461-W478 HydrophobicContact CZ-CB 4.17Å; F461-I650 HydrophobicContact CB-CG2 4.38Å; F461-I650 HydrophobicContact CD2-CG2 4.35Å; F461-M653 HydrophobicContact CD2-SD 4.14Å; F461-M653 HydrophobicContact CE2-CE 3.89Å; F461-M653 HydrophobicContact CE2-CG 4.01Å; F461-M653 HydrophobicContact CE2-SD 3.69Å; F461-V654 HydrophobicContact CD2-CG1 3.96Å; F461-V654 HydrophobicContact CE1-CG1 4.42Å; F461-V654 HydrophobicContact CE2-CG1 3.61Å; F461-V654 HydrophobicContact CZ-CG1 3.87Å
462Y98.4Very high96.7Very high4 Ų415.9 Ų15.92%0.0168%0.075CC..Hα-helixtrans-65-37.6176.5-70.7-67.7000112.5I435 Q439 A440 L458 H459 A464 I465 W466 L472I435-Y462 HydrophobicContact CD1-CE1 3.67Å; I435-Y462 WeakPolarHBondContact CD1-OH 3.3Å; I435-Y462 HydrophobicContact CG1-CE1 4.28Å; Q439-Y462 WeakPolarHBondContact CB-OH 3.43Å; A440-Y462 HydrophobicContact CB-CD1 4.07Å; A440-Y462 HydrophobicContact CB-CD2 3.82Å; A440-Y462 HydrophobicContact CB-CE1 4.41Å; A440-Y462 HydrophobicContact CB-CE2 4.17Å; A440-Y462 HydrophobicContact CB-CG 3.79Å; L458-Y462 HydrophobicContact CD1-CD2 4.27Å; L458-Y462 HydrophobicContact CD1-CE2 3.6Å; L458-Y462 HydrophobicContact CD2-CE2 4.45Å; L458-Y462 HydrophobicContact CG-CD2 4.24Å; L458-Y462 HydrophobicContact CG-CE2 3.8Å; L458-Y462 VanDerWaalsContact O-CD2 3.24Å; L458-Y462 WeakPolarHBondContact O-CD2 3.48Å; L458-Y462 PolarHBondContact O-N 3.28Å; H459-Y462 PolarHBondContact O-N 3.35Å; Y462-A464 VanDerWaalsContact C-N 3.32Å; Y462-A464 PolarHBondContact O-N 3.32Å; Y462-I465 HydrophobicContact CD1-CD1 4.44Å; Y462-I465 WeakPolarHBondContact O-CB 3.3Å; Y462-I465 PolarHBondContact O-N 3.45Å; Y462-W466 PolarHBondContact O-N 3.39Å; Y462-L472 HydrophobicContact CD1-CD1 4.09Å; Y462-L472 HydrophobicContact CD1-CD2 4.35Å; Y462-L472 WeakPolarHBondContact O-CD2 3.49Å
463Y98.4Very high96.9Very high10 Ų1014.8 Ų14.84%0.0397%0.068CC..Hα-helixtrans-62.1-38.9174.6177.1-124000112.2Y118 H459 A460 F461 I465 W466 K467 F509 V513 D516Y118-Y463 PolarHBondContact OH-OH 3.37Å; H459-Y463 WeakPolarHBondContact O-CB 3.41Å; H459-Y463 PolarHBondContact O-N 3.14Å; A460-Y463 PolarHBondContact O-N 2.82Å; F461-Y463 VanDerWaalsContact C-N 3.35Å; F461-Y463 PolarHBondContact O-N 3.03Å; Y463-I465 VanDerWaalsContact C-N 3.34Å; Y463-I465 PolarHBondContact O-N 2.99Å; Y463-W466 CarbonylContact O-C 3.47Å; Y463-W466 WeakPolarHBondContact O-CA 3.34Å; Y463-W466 WeakPolarHBondContact O-CB 3.39Å; Y463-W466 PolarHBondContact O-N 2.84Å; Y463-W466 VanDerWaalsContact O-N 3.14Å; Y463-K467 HydrophobicContact CD1-CG 4.34Å; Y463-K467 HydrophobicContact CD2-CD 4.44Å; Y463-K467 HydrophobicContact CD2-CG 4.34Å; Y463-K467 HydrophobicContact CE1-CD 4.14Å; Y463-K467 HydrophobicContact CE1-CG 4.01Å; Y463-K467 HydrophobicContact CE2-CD 3.66Å; Y463-K467 HydrophobicContact CE2-CG 4Å; Y463-K467 WeakPolarHBondContact O-CG 3.31Å; Y463-K467 PolarHBondContact O-N 2.89Å; Y463-F509 HydrophobicContact CD1-CE2 4.47Å; Y463-F509 AromaticContact CD1-CZ 3.76Å; Y463-F509 HydrophobicContact CD1-CZ 3.76Å; Y463-F509 HydrophobicContact CE1-CE2 4.13Å; Y463-F509 AromaticContact CE1-CZ 3.85Å; Y463-F509 HydrophobicContact CE1-CZ 3.85Å; Y463-V513 HydrophobicContact CD1-CG2 3.94Å; Y463-V513 HydrophobicContact CD2-CB 4.14Å; Y463-V513 HydrophobicContact CD2-CG1 3.51Å; Y463-V513 HydrophobicContact CD2-CG2 3.85Å; Y463-V513 HydrophobicContact CE1-CG2 3.79Å; Y463-V513 HydrophobicContact CE2-CB 3.96Å; Y463-V513 HydrophobicContact CE2-CG1 3.76Å; Y463-V513 HydrophobicContact CE2-CG2 3.7Å; Y463-V513 HydrophobicContact CG-CG1 4.13Å; Y463-V513 HydrophobicContact CG-CG2 3.95Å; Y463-D516 HydrophobicContact CE2-CB 4.33Å; Y463-D516 PolarHBondContact OH-OD2 2.81Å
464A97.8Very high97.2Very high1 Ų113.1 Ų13.11%0.0086%0.06CC..Hα-helixtrans-65.6-35.9176.400000112.3A460 F461 Y462 K467 R468 I650 D651 V654A460-A464 WeakPolarHBondContact O-CB 3.15Å; A460-A464 PolarHBondContact O-N 3.28Å; F461-A464 PolarHBondContact O-N 3.04Å; Y462-A464 VanDerWaalsContact C-N 3.32Å; Y462-A464 PolarHBondContact O-N 3.32Å; A464-K467 WeakPolarHBondContact O-CB 3.49Å; A464-K467 PolarHBondContact O-N 3.3Å; A464-R468 PolarHBondContact O-N 3.07Å; A464-R468 VanDerWaalsContact O-N 3.16Å; A464-I650 HydrophobicContact CB-CG2 3.62Å; A464-D651 WeakPolarHBondContact CB-OD1 3.36Å; A464-V654 HydrophobicContact CB-CB 4.48Å; A464-V654 HydrophobicContact CB-CG1 4.24Å; A464-V654 HydrophobicContact CB-CG2 3.5Å; A464-V654 VanDerWaalsContact CB-CG2 3.5Å
465I98.3Very high97.5Very high1 Ų116.8 Ų16.81%0.0057%0.073CC..Hα-helixtrans-61.6-47169.2-63.3171.9000110.3F461 Y462 Y463 K467 R468 Y469 L472 P473 Y476 V654F461-I465 HydrophobicContact CD1-CD1 3.99Å; F461-I465 HydrophobicContact CE1-CD1 3.49Å; F461-I465 VanDerWaalsContact CE1-CD1 3.49Å; F461-I465 HydrophobicContact CE1-CG1 4.38Å; F461-I465 HydrophobicContact CZ-CD1 4.21Å; F461-I465 PolarHBondContact O-N 2.99Å; Y462-I465 HydrophobicContact CD1-CD1 4.44Å; Y462-I465 WeakPolarHBondContact O-CB 3.3Å; Y462-I465 PolarHBondContact O-N 3.45Å; Y463-I465 VanDerWaalsContact C-N 3.34Å; Y463-I465 PolarHBondContact O-N 2.99Å; I465-K467 VanDerWaalsContact C-N 3.3Å; I465-K467 PolarHBondContact O-N 3.2Å; I465-R468 WeakPolarHBondContact O-CB 3.49Å; I465-R468 PolarHBondContact O-N 3.07Å; I465-R468 VanDerWaalsContact O-N 3.09Å; I465-Y469 HydrophobicContact CG2-CD2 3.86Å; I465-Y469 HydrophobicContact CG2-CE2 4.21Å; I465-Y469 WeakPolarHBondContact O-CD2 3.37Å; I465-Y469 PolarHBondContact O-N 3.2Å; I465-Y469 VanDerWaalsContact O-N 3.11Å; I465-L472 HydrophobicContact CB-CD2 3.92Å; I465-L472 HydrophobicContact CG2-CD2 3.78Å; I465-P473 VanDerWaalsContact CG2-CD 3.5Å; I465-P473 HydrophobicContact CG2-CG 4.14Å; I465-Y476 HydrophobicContact CD1-CD1 3.45Å; I465-Y476 VanDerWaalsContact CD1-CD1 3.45Å; I465-Y476 HydrophobicContact CD1-CD2 4.28Å; I465-Y476 HydrophobicContact CD1-CE1 3.96Å; I465-Y476 HydrophobicContact CD1-CG 3.63Å; I465-Y476 HydrophobicContact CG1-CD1 4.15Å; I465-Y476 HydrophobicContact CG1-CD2 4.48Å; I465-Y476 HydrophobicContact CG1-CE1 4.2Å; I465-Y476 HydrophobicContact CG1-CG 4.28Å; I465-Y476 HydrophobicContact CG2-CD2 4.31Å; I465-V654 HydrophobicContact CD1-CG1 4.49Å; I465-V654 HydrophobicContact CG1-CB 4.12Å; I465-V654 HydrophobicContact CG1-CG1 3.75Å
466W98.6Very high97.5Very high4 Ų417 Ų172%0.0157%0.074CC..Hα-helixtrans-58.7-41.6175.4-169.6-73.9000111.8Y462 Y463 R468 Y469 G470 L472 Y488 L494 I517 S520 L521Y462-W466 PolarHBondContact O-N 3.39Å; Y463-W466 CarbonylContact O-C 3.47Å; Y463-W466 WeakPolarHBondContact O-CA 3.34Å; Y463-W466 WeakPolarHBondContact O-CB 3.39Å; Y463-W466 PolarHBondContact O-N 2.84Å; Y463-W466 VanDerWaalsContact O-N 3.14Å; W466-R468 PolarHBondContact O-N 3.09Å; W466-Y469 PolarHBondContact O-N 3.45Å; W466-G470 VanDerWaalsContact O-CA 3.31Å; W466-G470 WeakPolarHBondContact O-CA 3.4Å; W466-G470 PolarHBondContact O-N 3.39Å; W466-L472 HydrophobicContact CB-CD2 4.43Å; W466-L472 HydrophobicContact CE3-CG 4.08Å; W466-Y488 HydrophobicContact CH2-CE1 4.23Å; W466-Y488 HydrophobicContact CH2-CE2 4.33Å; W466-Y488 AromaticContact CH2-CZ 3.74Å; W466-Y488 WeakPolarHBondContact CH2-OH 3.24Å; W466-Y488 AromaticContact CZ3-CE2 3.86Å; W466-Y488 HydrophobicContact CZ3-CE2 3.86Å; W466-Y488 AromaticContact CZ3-CZ 3.73Å; W466-L494 HydrophobicContact CB-CD2 4.03Å; W466-L494 HydrophobicContact CD2-CD2 4.23Å; W466-L494 HydrophobicContact CE3-CD2 3.74Å; W466-L494 HydrophobicContact CG-CD2 4.36Å; W466-I517 HydrophobicContact CD2-CG1 3.93Å; W466-I517 HydrophobicContact CE3-CG1 4.39Å; W466-I517 HydrophobicContact CG-CG1 4.33Å; W466-I517 HydrophobicContact CH2-CG1 4.44Å; W466-I517 HydrophobicContact CH2-CG2 3.87Å; W466-I517 HydrophobicContact CZ2-CB 3.99Å; W466-I517 HydrophobicContact CZ2-CG1 3.99Å; W466-I517 HydrophobicContact CZ2-CG2 3.73Å; W466-S520 PolarHBondContact NE1-OG 3.16Å; W466-L521 HydrophobicContact CH2-CD2 4.3Å; W466-L521 HydrophobicContact CH2-CG 4.38Å; W466-L521 HydrophobicContact CZ2-CG 4.42Å
467K97.7Very high97.6Very high65 Ų6517 Ų1728%0.2837%0.074SC..Hα-helixtrans-57.8-35.1175.9-76.8-48.6-48.8163.80112.7Y463 A464 I465 D516 L656Y463-K467 HydrophobicContact CD1-CG 4.34Å; Y463-K467 HydrophobicContact CD2-CD 4.44Å; Y463-K467 HydrophobicContact CD2-CG 4.34Å; Y463-K467 HydrophobicContact CE1-CD 4.14Å; Y463-K467 HydrophobicContact CE1-CG 4.01Å; Y463-K467 HydrophobicContact CE2-CD 3.66Å; Y463-K467 HydrophobicContact CE2-CG 4Å; Y463-K467 WeakPolarHBondContact O-CG 3.31Å; Y463-K467 PolarHBondContact O-N 2.89Å; A464-K467 WeakPolarHBondContact O-CB 3.49Å; A464-K467 PolarHBondContact O-N 3.3Å; I465-K467 VanDerWaalsContact C-N 3.3Å; I465-K467 PolarHBondContact O-N 3.2Å; K467-D516 IonicContact NZ-OD2 3.21Å; K467-D516 PolarHBondContact NZ-OD2 3.21Å; K467-L656 HydrophobicContact CB-CD1 4.48Å; K467-L656 HydrophobicContact CB-CD2 3.7Å
468R97.1Very high97.7Very high92 Ų9219.7 Ų19.735%0.3478%0.084SC..Hα-helixtrans-77-44.1-179.5-168.1170.1178.1-155.9-3.2113.2A464 I465 W466 Q481 V654 G655 L656A464-R468 PolarHBondContact O-N 3.07Å; A464-R468 VanDerWaalsContact O-N 3.16Å; I465-R468 WeakPolarHBondContact O-CB 3.49Å; I465-R468 PolarHBondContact O-N 3.07Å; I465-R468 VanDerWaalsContact O-N 3.09Å; W466-R468 PolarHBondContact O-N 3.09Å; R468-Q481 PolarHBondContact NH1-O 3.03Å; R468-V654 VanDerWaalsContact CD-O 3.22Å; R468-V654 WeakPolarHBondContact CD-O 3.44Å; R468-V654 PolarHBondContact NH1-O 3.01Å; R468-G655 WeakPolarHBondContact CD-O 3.35Å; R468-G655 PolarHBondContact NE-O 3.29Å; R468-L656 HydrophobicContact CB-CD1 3.89Å; R468-L656 HydrophobicContact CG-CD1 4.23Å
469Y97.9Very high97.6Very high18 Ų1825.8 Ų25.87%0.07111%0.113CC..Hα-helixtrans-105.2-21.7-170.8-60.4-71.6000114.6I465 W466 A471 Y476 P483 V537 I538 K540I465-Y469 HydrophobicContact CG2-CD2 3.86Å; I465-Y469 HydrophobicContact CG2-CE2 4.21Å; I465-Y469 WeakPolarHBondContact O-CD2 3.37Å; I465-Y469 PolarHBondContact O-N 3.2Å; I465-Y469 VanDerWaalsContact O-N 3.11Å; W466-Y469 PolarHBondContact O-N 3.45Å; Y469-A471 VanDerWaalsContact C-N 3.29Å; Y469-Y476 HydrophobicContact CE2-CD2 4.32Å; Y469-Y476 AromaticContact CE2-CE2 3.92Å; Y469-Y476 HydrophobicContact CE2-CE2 3.92Å; Y469-P483 HydrophobicContact CE1-CG 4.09Å; Y469-P483 HydrophobicContact CE2-CG 4.38Å; Y469-V537 HydrophobicContact CD1-CG2 4.36Å; Y469-V537 HydrophobicContact CG-CG2 4.3Å; Y469-I538 HydrophobicContact CD1-CG1 4.07Å; Y469-I538 HydrophobicContact CE1-CD1 4.28Å; Y469-I538 HydrophobicContact CE1-CG1 4.07Å; Y469-K540 WeakPolarHBondContact O-CE 3.46Å; Y469-K540 PolarHBondContact O-NZ 3.21Å
470G97.8Very high97.5Very high10 Ų1031.5 Ų31.510%0.10314%0.143CC..SBendtrans79.110.7-170.100000114W466 S520W466-G470 VanDerWaalsContact O-CA 3.31Å; W466-G470 WeakPolarHBondContact O-CA 3.4Å; W466-G470 PolarHBondContact O-N 3.39Å; G470-S520 VanDerWaalsContact O-CB 3.23Å; G470-S520 WeakPolarHBondContact O-CB 3.36Å
471A97.9Very high97.4Very high0 Ų034.6 Ų34.60%016%0.156CC..SBendtrans-166166.1177.600000107.9Y469 Y488 L534 V537Y469-A471 VanDerWaalsContact C-N 3.29Å; A471-Y488 HydrophobicContact CB-CD1 3.77Å; A471-Y488 HydrophobicContact CB-CD2 4.2Å; A471-Y488 HydrophobicContact CB-CE1 4.24Å; A471-Y488 HydrophobicContact CB-CG 3.77Å; A471-L534 HydrophobicContact CB-CD1 3.81Å; A471-V537 HydrophobicContact CB-CB 4.35Å; A471-V537 HydrophobicContact CB-CG1 3.71Å
472L98.2Very high97.4Very high4 Ų436.2 Ų36.22%0.02117%0.169CC..  trans-86.7126.9164.4-67.1-173.6000109.5A440 Y462 I465 W466 Y488 L494A440-L472 HydrophobicContact CB-CD1 3.99Å; Y462-L472 HydrophobicContact CD1-CD1 4.09Å; Y462-L472 HydrophobicContact CD1-CD2 4.35Å; Y462-L472 WeakPolarHBondContact O-CD2 3.49Å; I465-L472 HydrophobicContact CB-CD2 3.92Å; I465-L472 HydrophobicContact CG2-CD2 3.78Å; W466-L472 HydrophobicContact CB-CD2 4.43Å; W466-L472 HydrophobicContact CE3-CG 4.08Å; L472-Y488 HydrophobicContact CB-CD2 4.37Å; L472-Y488 WeakPolarHBondContact O-CB 3.13Å; L472-Y488 WeakPolarHBondContact O-CD2 3.49Å; L472-L494 HydrophobicContact CD1-CB 4.12Å; L472-L494 HydrophobicContact CD1-CD2 4.31Å; L472-L494 HydrophobicContact CD2-CD2 4.32Å; L472-L494 HydrophobicContact CG-CD2 4.29Å
473P98.2Very high97.4Very high3 Ų337 Ų372%0.01917%0.174CC..  trans-63.3138.9161.726.7-30.7000110I465 R475 Y476 P483 V485 F487 V537I465-P473 VanDerWaalsContact CG2-CD 3.5Å; I465-P473 HydrophobicContact CG2-CG 4.14Å; P473-R475 PolarHBondContact O-N 3.11Å; P473-Y476 HydrophobicContact CG-CD2 4.05Å; P473-P483 HydrophobicContact CB-CB 3.63Å; P473-P483 HydrophobicContact CB-CG 4.03Å; P473-P483 HydrophobicContact CG-CB 4.02Å; P473-P483 HydrophobicContact CG-CG 4.06Å; P473-V485 VanDerWaalsContact CB-O 3.31Å; P473-V485 WeakPolarHBondContact CB-O 3.14Å; P473-F487 CarbonylContact C-O 3.5Å; P473-V537 HydrophobicContact CB-CG2 3.82Å; P473-V537 HydrophobicContact CG-CG2 4.46Å
474E97.4Very high97.3Very high31 Ų3140 Ų4015%0.14519%0.192CC..SBendtrans-52.9-30179-170.772.8-176.100112.3D436 S437 V485 F487 P489 R491D436-E474 WeakPolarHBondContact CA-O 3.32Å; D436-E474 WeakPolarHBondContact CB-O 3.15Å; S437-E474 PolarHBondContact N-O 3.05Å; S437-E474 VanDerWaalsContact N-O 3.08Å; S437-E474 PolarHBondContact OG-OE2 3.35Å; E474-V485 HydrophobicContact CB-CB 4.26Å; E474-V485 HydrophobicContact CB-CG1 3.92Å; E474-V485 HydrophobicContact CG-CG1 4.35Å; E474-V485 PolarHBondContact N-O 3.48Å; E474-F487 HydrophobicContact CB-CB 4.24Å; E474-F487 HydrophobicContact CB-CD1 4.36Å; E474-F487 WeakPolarHBondContact CB-O 3.46Å; E474-F487 HydrophobicContact CG-CD1 4.39Å; E474-F487 PolarHBondContact N-O 2.86Å; E474-P489 VanDerWaalsContact OE2-CD 3.27Å; E474-P489 WeakPolarHBondContact OE2-CD 3.44Å; E474-R491 IonicContact OE1-CZ 2.6Å; E474-R491 IonicContact OE1-NE 2.68Å; E474-R491 PolarHBondContact OE1-NE 3.01Å; E474-R491 IonicContact OE1-NH2 2.72Å; E474-R491 PolarHBondContact OE1-NH2 3.46Å; E474-R491 IonicContact OE2-CZ 2.68Å; E474-R491 IonicContact OE2-NE 3.37Å; E474-R491 PolarHBondContact OE2-NE 2.95Å; E474-R491 IonicContact OE2-NH2 3.95Å
475R97.8Very high97.2Very high89 Ų8942.6 Ų42.634%0.33621%0.207SC..EExtended strand (participates in β ladder)trans-137.6130.4162.8-65-175.2179.3155.54.1112.6W434 I435 D436 P473 P483 D484 V485W434-R475 HydrophobicContact CE3-CG 4.02Å; W434-R475 HydrophobicContact CZ3-CG 4.38Å; I435-R475 CarbonylContact O-C 3.56Å; I435-R475 WeakPolarHBondContact O-CA 3.34Å; D436-R475 HydrophobicContact CB-CG 4.1Å; P473-R475 PolarHBondContact O-N 3.11Å; R475-P483 CarbonylContact O-C 3.43Å; R475-P483 WeakPolarHBondContact O-CA 3.11Å; R475-D484 HydrophobicContact CB-CB 4.22Å; R475-D484 PolarHBondContact O-N 3.47Å; R475-V485 HydrophobicContact CB-CB 3.91Å; R475-V485 HydrophobicContact CB-CG2 3.96Å; R475-V485 HydrophobicContact CG-CB 4.19Å; R475-V485 HydrophobicContact CG-CG2 4.01Å; R475-V485 PolarHBondContact N-O 2.66Å; R475-V485 PolarHBondContact O-N 2.92Å
476Y98Very high97.2Very high4 Ų445.3 Ų45.32%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-113127.1174.8-172.5-104.5000111.6W434 I435 F461 I465 Y469 P473 W478 Q481 V654W434-Y476 CarbonylContact C-O 3.53Å; W434-Y476 VanDerWaalsContact CA-O 3.24Å; W434-Y476 WeakPolarHBondContact CA-O 3.42Å; I435-Y476 PolarHBondContact N-O 3.27Å; I435-Y476 PolarHBondContact O-N 2.82Å; F461-Y476 HydrophobicContact CE1-CD1 4.47Å; F461-Y476 HydrophobicContact CZ-CD1 4.36Å; F461-Y476 HydrophobicContact CZ-CE1 4.28Å; I465-Y476 HydrophobicContact CD1-CD1 3.45Å; I465-Y476 VanDerWaalsContact CD1-CD1 3.45Å; I465-Y476 HydrophobicContact CD1-CD2 4.28Å; I465-Y476 HydrophobicContact CD1-CE1 3.96Å; I465-Y476 HydrophobicContact CD1-CG 3.63Å; I465-Y476 HydrophobicContact CG1-CD1 4.15Å; I465-Y476 HydrophobicContact CG1-CD2 4.48Å; I465-Y476 HydrophobicContact CG1-CE1 4.2Å; I465-Y476 HydrophobicContact CG1-CG 4.28Å; I465-Y476 HydrophobicContact CG2-CD2 4.31Å; Y469-Y476 HydrophobicContact CE2-CD2 4.32Å; Y469-Y476 AromaticContact CE2-CE2 3.92Å; Y469-Y476 HydrophobicContact CE2-CE2 3.92Å; P473-Y476 HydrophobicContact CG-CD2 4.05Å; Y476-W478 HydrophobicContact CE1-CB 4.48Å; Y476-Q481 WeakPolarHBondContact OH-CA 3.39Å; Y476-Q481 PolarHBondContact OH-O 3.38Å; Y476-V654 VanDerWaalsContact OH-C 3.31Å; Y476-V654 VanDerWaalsContact OH-CA 3.32Å; Y476-V654 WeakPolarHBondContact OH-CA 3.45Å; Y476-V654 PolarHBondContact OH-O 3.45Å
477N97.8Very high97Very high7 Ų747.4 Ų47.44%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-89.8109.7174-161.8-63000110.3T433 Q479 L480 Q481 A482 D484T433-N477 CarbonylContact O-C 3.44Å; T433-N477 WeakPolarHBondContact O-CA 3.44Å; T433-N477 PolarHBondContact O-OD1 3.37Å; T433-N477 PolarHBondContact OG1-ND2 3.37Å; T433-N477 VanDerWaalsContact OG1-ND2 3.14Å; T433-N477 PolarHBondContact OG1-OD1 3.36Å; N477-Q479 VanDerWaalsContact C-N 3.3Å; N477-Q479 PolarHBondContact O-N 3.2Å; N477-Q479 PolarHBondContact OD1-N 3Å; N477-L480 HydrophobicContact CB-CB 4.06Å; N477-L480 HydrophobicContact CB-CD1 4.36Å; N477-L480 HydrophobicContact CB-CG 4.39Å; N477-L480 WeakPolarHBondContact OD1-CG 3.35Å; N477-L480 PolarHBondContact OD1-N 3.25Å; N477-Q481 WeakPolarHBondContact O-CA 3.2Å; N477-Q481 PolarHBondContact O-N 3.48Å; N477-A482 WeakPolarHBondContact CA-O 3.09Å; N477-A482 WeakPolarHBondContact CB-O 3.37Å; N477-A482 PolarHBondContact N-O 2.98Å; N477-A482 PolarHBondContact O-N 3.19Å; N477-D484 WeakPolarHBondContact CB-OD1 3.37Å; N477-D484 PolarHBondContact ND2-OD2 2.92Å
478W94.7Very high97.1Very high57 Ų5744.3 Ų44.322%0.21622%0.217CC..THydrogen-bonded Turntrans-75.9-18.3-175.456.3-98.5000113.1L419 V421 L430 T433 F461 Y476 M653L419-W478 HydrophobicContact CD2-CB 3.98Å; L419-W478 HydrophobicContact CD2-CD2 3.86Å; L419-W478 HydrophobicContact CD2-CG 3.54Å; V421-W478 HydrophobicContact CG1-CZ2 4.06Å; L430-W478 HydrophobicContact CD1-CZ2 4.22Å; L430-W478 HydrophobicContact CD2-CH2 4.39Å; L430-W478 HydrophobicContact CD2-CZ2 4.23Å; T433-W478 HydrophobicContact CG2-CH2 4.18Å; T433-W478 HydrophobicContact CG2-CZ2 3.9Å; T433-W478 PolarHBondContact O-N 3.47Å; T433-W478 PolarHBondContact O-NE1 3.31Å; F461-W478 HydrophobicContact CZ-CB 4.17Å; Y476-W478 HydrophobicContact CE1-CB 4.48Å; W478-M653 HydrophobicContact CB-CE 4.49Å
479Q94Very high97.1Very high132 Ų13240 Ų4062%0.61720%0.201SC*.THydrogen-bonded Turntrans-86.4-41.4174.4-168.9-177.217.400112.2T433 N477 Q481T433-Q479 HydrophobicContact CG2-CB 4.2Å; N477-Q479 VanDerWaalsContact C-N 3.3Å; N477-Q479 PolarHBondContact O-N 3.2Å; N477-Q479 PolarHBondContact OD1-N 3Å; Q479-Q481 VanDerWaalsContact C-N 3.25Å
480L96.1Very high97.1Very high119 Ų11939.2 Ų39.262%0.62320%0.198SC*.THydrogen-bonded Turntrans-78.8-11.7176-60.8178.3000113N477 A482N477-L480 HydrophobicContact CB-CB 4.06Å; N477-L480 HydrophobicContact CB-CD1 4.36Å; N477-L480 HydrophobicContact CB-CG 4.39Å; N477-L480 WeakPolarHBondContact OD1-CG 3.35Å; N477-L480 PolarHBondContact OD1-N 3.25Å; L480-A482 VanDerWaalsContact C-N 3.26Å; L480-A482 HydrophobicContact CB-CB 4.44Å; L480-A482 PolarHBondContact O-N 3.23Å
481Q96.4Very high97.1Very high75 Ų7541 Ų4135%0.3520%0.202SC..THydrogen-bonded Turntrans53.642.9-174.5-48.7-170.2-46.400112.3R468 Y476 N477 Q479 Q652 M653R468-Q481 PolarHBondContact NH1-O 3.03Å; Y476-Q481 WeakPolarHBondContact OH-CA 3.39Å; Y476-Q481 PolarHBondContact OH-O 3.38Å; N477-Q481 WeakPolarHBondContact O-CA 3.2Å; N477-Q481 PolarHBondContact O-N 3.48Å; Q479-Q481 VanDerWaalsContact C-N 3.25Å; Q481-Q652 PolarHBondContact NE2-O 2.98Å; Q481-M653 PolarHBondContact NE2-O 3.33Å
482A97.1Very high97.2Very high34 Ų3441.1 Ų41.128%0.28120%0.202SC..EExtended strand (participates in β ladder)trans-151.4158.3-173.400000111.1N477 L480N477-A482 WeakPolarHBondContact CA-O 3.09Å; N477-A482 WeakPolarHBondContact CB-O 3.37Å; N477-A482 PolarHBondContact N-O 2.98Å; N477-A482 PolarHBondContact O-N 3.19Å; L480-A482 VanDerWaalsContact C-N 3.26Å; L480-A482 HydrophobicContact CB-CB 4.44Å; L480-A482 PolarHBondContact O-N 3.23Å
483P97.3Very high97.2Very high20 Ų2041.9 Ų41.913%0.1321%0.206CC..EExtended strand (participates in β ladder)trans-69.8135.4172-18.234000112Y469 P473 R475 L486 V537Y469-P483 HydrophobicContact CE1-CG 4.09Å; Y469-P483 HydrophobicContact CE2-CG 4.38Å; P473-P483 HydrophobicContact CB-CB 3.63Å; P473-P483 HydrophobicContact CB-CG 4.03Å; P473-P483 HydrophobicContact CG-CB 4.02Å; P473-P483 HydrophobicContact CG-CG 4.06Å; R475-P483 CarbonylContact O-C 3.43Å; R475-P483 WeakPolarHBondContact O-CA 3.11Å; P483-L486 HydrophobicContact CB-CD2 3.44Å; P483-L486 VanDerWaalsContact CB-CD2 3.44Å; P483-L486 HydrophobicContact CB-CG 4.16Å; P483-L486 HydrophobicContact CG-CD2 3.65Å; P483-V537 HydrophobicContact CG-CG2 4.44Å
484D96.3Very high97.2Very high75 Ų7542 Ų4240%0.40121%0.206SC..EExtended strand (participates in β ladder)trans-90.2-30.5166.7-81.6-7.5000111.1R475 N477R475-D484 HydrophobicContact CB-CB 4.22Å; R475-D484 PolarHBondContact O-N 3.47Å; N477-D484 WeakPolarHBondContact CB-OD1 3.37Å; N477-D484 PolarHBondContact ND2-OD2 2.92Å
485V97.4Very high97.3Very high54 Ų5440.5 Ų40.533%0.32720%0.199SC..EExtended strand (participates in β ladder)trans-130.4118.4172.3-177.70000108.2P473 E474 R475 F487P473-V485 VanDerWaalsContact CB-O 3.31Å; P473-V485 WeakPolarHBondContact CB-O 3.14Å; E474-V485 HydrophobicContact CB-CB 4.26Å; E474-V485 HydrophobicContact CB-CG1 3.92Å; E474-V485 HydrophobicContact CG-CG1 4.35Å; E474-V485 PolarHBondContact N-O 3.48Å; R475-V485 HydrophobicContact CB-CB 3.91Å; R475-V485 HydrophobicContact CB-CG2 3.96Å; R475-V485 HydrophobicContact CG-CB 4.19Å; R475-V485 HydrophobicContact CG-CG2 4.01Å; R475-V485 PolarHBondContact N-O 2.66Å; R475-V485 PolarHBondContact O-N 2.92Å; V485-F487 HydrophobicContact CG1-CB 4.23Å; V485-F487 PolarHBondContact O-N 2.99Å
486L97.5Very high97.3Very high58 Ų5836.8 Ų36.830%0.30419%0.186SC..  trans-87.6-3-164-70.7159.2000114.9P483 H535 H536 V537 I538P483-L486 HydrophobicContact CB-CD2 3.44Å; P483-L486 VanDerWaalsContact CB-CD2 3.44Å; P483-L486 HydrophobicContact CB-CG 4.16Å; P483-L486 HydrophobicContact CG-CD2 3.65Å; L486-H535 CarbonylContact C-O 3.54Å; L486-H536 HydrophobicContact CB-CB 4.5Å; L486-H536 CarbonylContact O-C 3.59Å; L486-H536 VanDerWaalsContact O-CA 3.26Å; L486-H536 WeakPolarHBondContact O-CA 3.48Å; L486-V537 WeakPolarHBondContact O-CG1 3.48Å; L486-V537 PolarHBondContact O-N 2.84Å; L486-I538 HydrophobicContact CD2-CD1 3.98Å; L486-I538 HydrophobicContact CD2-CG1 4.11Å
487F95.1Very high97.4Very high48 Ų4836.6 Ų36.621%0.21119%0.185CC..  trans-74.7155.8-175.3-178.5-110.8000112.3P473 E474 V485 P489 T533 L534 H535P473-F487 CarbonylContact C-O 3.5Å; E474-F487 HydrophobicContact CB-CB 4.24Å; E474-F487 HydrophobicContact CB-CD1 4.36Å; E474-F487 WeakPolarHBondContact CB-O 3.46Å; E474-F487 HydrophobicContact CG-CD1 4.39Å; E474-F487 PolarHBondContact N-O 2.86Å; V485-F487 HydrophobicContact CG1-CB 4.23Å; V485-F487 PolarHBondContact O-N 2.99Å; F487-P489 HydrophobicContact CD1-CB 4.32Å; F487-P489 HydrophobicContact CD1-CG 4.02Å; F487-P489 HydrophobicContact CE1-CB 3.5Å; F487-P489 HydrophobicContact CE1-CG 3.52Å; F487-P489 HydrophobicContact CZ-CB 3.81Å; F487-P489 HydrophobicContact CZ-CG 4.33Å; F487-T533 HydrophobicContact CD2-CG2 3.87Å; F487-T533 HydrophobicContact CE1-CG2 4.4Å; F487-T533 HydrophobicContact CE2-CG2 3.16Å; F487-T533 HydrophobicContact CZ-CG2 3.49Å; F487-T533 VanDerWaalsContact CZ-CG2 3.49Å; F487-L534 CarbonylContact C-O 3.53Å; F487-L534 WeakPolarHBondContact CA-O 3.21Å; F487-L534 WeakPolarHBondContact CD2-O 3.29Å; F487-H535 WeakPolarHBondContact CA-O 3.43Å
488Y98.3Very high97.4Very high1 Ų136.2 Ų36.20%0.00418%0.183CC..BIsolated β-bridgetrans-149.1103.6168.1172.5-104.9000110.5W466 A471 L472 L490 R491 L521 L534W466-Y488 HydrophobicContact CH2-CE1 4.23Å; W466-Y488 HydrophobicContact CH2-CE2 4.33Å; W466-Y488 AromaticContact CH2-CZ 3.74Å; W466-Y488 WeakPolarHBondContact CH2-OH 3.24Å; W466-Y488 AromaticContact CZ3-CE2 3.86Å; W466-Y488 HydrophobicContact CZ3-CE2 3.86Å; W466-Y488 AromaticContact CZ3-CZ 3.73Å; A471-Y488 HydrophobicContact CB-CD1 3.77Å; A471-Y488 HydrophobicContact CB-CD2 4.2Å; A471-Y488 HydrophobicContact CB-CE1 4.24Å; A471-Y488 HydrophobicContact CB-CG 3.77Å; L472-Y488 HydrophobicContact CB-CD2 4.37Å; L472-Y488 WeakPolarHBondContact O-CB 3.13Å; L472-Y488 WeakPolarHBondContact O-CD2 3.49Å; Y488-L490 VanDerWaalsContact CE1-CA 3.48Å; Y488-L490 HydrophobicContact CE1-CD2 4.21Å; Y488-L490 PolarHBondContact O-N 3.18Å; Y488-L490 VanDerWaalsContact O-N 3.12Å; Y488-R491 HydrophobicContact CD2-CB 4.04Å; Y488-R491 HydrophobicContact CD2-CG 4.33Å; Y488-R491 HydrophobicContact CE2-CB 3.57Å; Y488-R491 HydrophobicContact CE2-CG 4.35Å; Y488-R491 PolarHBondContact OH-O 3.34Å; Y488-L521 HydrophobicContact CE1-CD2 3.82Å; Y488-L534 HydrophobicContact CD1-CD1 4.22Å; Y488-L534 HydrophobicContact CD1-CG 4.43Å; Y488-L534 PolarHBondContact N-O 3.17Å; Y488-L534 PolarHBondContact O-N 2.99Å
489P97.5Very high97.6Very high2 Ų233.8 Ų33.81%0.01317%0.174CC..  trans-87.241.7-176.835.6-34.4000112.8E474 F487 R491 T533 E547 F549E474-P489 VanDerWaalsContact OE2-CD 3.27Å; E474-P489 WeakPolarHBondContact OE2-CD 3.44Å; F487-P489 HydrophobicContact CD1-CB 4.32Å; F487-P489 HydrophobicContact CD1-CG 4.02Å; F487-P489 HydrophobicContact CE1-CB 3.5Å; F487-P489 HydrophobicContact CE1-CG 3.52Å; F487-P489 HydrophobicContact CZ-CB 3.81Å; F487-P489 HydrophobicContact CZ-CG 4.33Å; P489-R491 HydrophobicContact CG-CG 3.84Å; P489-R491 PolarHBondContact O-N 2.93Å; P489-T533 WeakPolarHBondContact CA-OG1 3.49Å; P489-T533 HydrophobicContact CB-CG2 4.2Å; P489-E547 HydrophobicContact CB-CG 4.09Å; P489-F549 HydrophobicContact CB-CZ 4.34Å; P489-F549 HydrophobicContact CG-CZ 4.44Å; P489-F549 WeakPolarHBondContact O-CE2 3.49Å; P489-F549 WeakPolarHBondContact O-CZ 3.34Å
490L98.4Very high97.7Very high0 Ų028.4 Ų28.40%015%0.149CC..  trans65.120.7178-43.3176.4000115.2Y488 L521 T525 Y531 M546 F550 T554Y488-L490 VanDerWaalsContact CE1-CA 3.48Å; Y488-L490 HydrophobicContact CE1-CD2 4.21Å; Y488-L490 PolarHBondContact O-N 3.18Å; Y488-L490 VanDerWaalsContact O-N 3.12Å; L490-L521 HydrophobicContact CD2-CD2 4.35Å; L490-T525 HydrophobicContact CD2-CG2 3.55Å; L490-Y531 WeakPolarHBondContact CD1-O 3.37Å; L490-M546 HydrophobicContact CD1-CG 4.27Å; L490-F550 HydrophobicContact CB-CB 4.03Å; L490-F550 HydrophobicContact CB-CD2 3.54Å; L490-F550 HydrophobicContact CB-CE2 4.34Å; L490-F550 HydrophobicContact CB-CG 4.02Å; L490-F550 HydrophobicContact CD1-CB 3.9Å; L490-F550 HydrophobicContact CD1-CD1 4.21Å; L490-F550 HydrophobicContact CD1-CD2 3.84Å; L490-F550 HydrophobicContact CD1-CE2 4.43Å; L490-F550 HydrophobicContact CD1-CG 3.67Å; L490-F550 HydrophobicContact CG-CD2 4.2Å; L490-F550 HydrophobicContact CG-CG 4.46Å; L490-T554 PolarHBondContact O-OG1 3.45Å
491R98.2Very high97.8Very high48 Ų4822.7 Ų22.718%0.18112%0.119CC..  trans-33.7127.3176.6-76.5-82.8174.6-135.5-5.7114.7E474 Y488 P489 E493E474-R491 IonicContact OE1-CZ 2.6Å; E474-R491 IonicContact OE1-NE 2.68Å; E474-R491 PolarHBondContact OE1-NE 3.01Å; E474-R491 IonicContact OE1-NH2 2.72Å; E474-R491 PolarHBondContact OE1-NH2 3.46Å; E474-R491 IonicContact OE2-CZ 2.68Å; E474-R491 IonicContact OE2-NE 3.37Å; E474-R491 PolarHBondContact OE2-NE 2.95Å; E474-R491 IonicContact OE2-NH2 3.95Å; Y488-R491 HydrophobicContact CD2-CB 4.04Å; Y488-R491 HydrophobicContact CD2-CG 4.33Å; Y488-R491 HydrophobicContact CE2-CB 3.57Å; Y488-R491 HydrophobicContact CE2-CG 4.35Å; Y488-R491 PolarHBondContact OH-O 3.34Å; P489-R491 HydrophobicContact CG-CG 3.84Å; P489-R491 PolarHBondContact O-N 2.93Å; R491-E493 WeakPolarHBondContact CB-OE2 3.19Å; R491-E493 WeakPolarHBondContact CD-OE1 3.31Å; R491-E493 WeakPolarHBondContact CD-OE2 3.46Å; R491-E493 IonicContact NE-OE1 3.37Å; R491-E493 IonicContact NH1-OE1 2.95Å
492P98.6Very high97.7Very high2 Ų219.4 Ų19.41%0.01310%0.104CC..  trans-89.3-16.7-174.633.8-35.8000115.7L494 V495 E496 F549 E553 T554P492-L494 PolarHBondContact O-N 2.87Å; P492-V495 VanDerWaalsContact O-CA 3.31Å; P492-V495 WeakPolarHBondContact O-CA 3.24Å; P492-V495 WeakPolarHBondContact O-CB 3.43Å; P492-V495 PolarHBondContact O-N 3.19Å; P492-E496 PolarHBondContact O-N 3.24Å; P492-F549 HydrophobicContact CG-CD2 4.44Å; P492-E553 HydrophobicContact CB-CB 3.48Å; P492-E553 VanDerWaalsContact CB-CB 3.48Å; P492-E553 HydrophobicContact CG-CB 3.85Å; P492-E553 HydrophobicContact CG-CG 4.43Å; P492-E553 WeakPolarHBondContact CG-OE1 3.24Å; P492-T554 VanDerWaalsContact CA-OG1 3.23Å; P492-T554 WeakPolarHBondContact CA-OG1 3.22Å; P492-T554 WeakPolarHBondContact CB-OG1 3.44Å
493E98.8Very high97.5Very high21 Ų2119.7 Ų19.710%0.09810%0.099CC..Hα-helixtrans-67.3-34.7-155.6-53.687.3164.200112.7A440 F441 R491 V495 E496 S497A440-E493 HydrophobicContact CB-CB 4.19Å; A440-E493 CarbonylContact O-C 3.57Å; A440-E493 VanDerWaalsContact O-O 3.09Å; F441-E493 HydrophobicContact CB-CB 3.94Å; F441-E493 HydrophobicContact CB-CG 4.19Å; R491-E493 WeakPolarHBondContact CB-OE2 3.19Å; R491-E493 WeakPolarHBondContact CD-OE1 3.31Å; R491-E493 WeakPolarHBondContact CD-OE2 3.46Å; R491-E493 IonicContact NE-OE1 3.37Å; R491-E493 IonicContact NH1-OE1 2.95Å; E493-V495 VanDerWaalsContact C-N 3.29Å; E493-V495 PolarHBondContact O-N 3.35Å; E493-E496 PolarHBondContact O-N 2.91Å; E493-S497 PolarHBondContact O-N 2.97Å; E493-S497 VanDerWaalsContact O-N 3.07Å
494L98.8Very high97.3Very high4 Ų420.8 Ų20.82%0.02111%0.11CC..Hα-helixtrans-65.6-32.4171.3-179.259.4000112.2A440 W466 L472 P492 T498 I517A440-L494 HydrophobicContact CB-CB 4.09Å; W466-L494 HydrophobicContact CB-CD2 4.03Å; W466-L494 HydrophobicContact CD2-CD2 4.23Å; W466-L494 HydrophobicContact CE3-CD2 3.74Å; W466-L494 HydrophobicContact CG-CD2 4.36Å; L472-L494 HydrophobicContact CD1-CB 4.12Å; L472-L494 HydrophobicContact CD1-CD2 4.31Å; L472-L494 HydrophobicContact CD2-CD2 4.32Å; L472-L494 HydrophobicContact CG-CD2 4.29Å; P492-L494 PolarHBondContact O-N 2.87Å; L494-T498 WeakPolarHBondContact O-CB 3.46Å; L494-T498 PolarHBondContact O-N 3.43Å; L494-T498 PolarHBondContact O-OG1 2.71Å; L494-I517 HydrophobicContact CD2-CD1 4.13Å; L494-I517 HydrophobicContact CG-CD1 4.12Å
495V98.8Very high97.1Very high1 Ų117.8 Ų17.81%0.0069%0.094CC..Hα-helixtrans-72.3-45178.1-166.50000110.4P492 E493 S497 T498 Y499 I517 T554 L558P492-V495 VanDerWaalsContact O-CA 3.31Å; P492-V495 WeakPolarHBondContact O-CA 3.24Å; P492-V495 WeakPolarHBondContact O-CB 3.43Å; P492-V495 PolarHBondContact O-N 3.19Å; E493-V495 VanDerWaalsContact C-N 3.29Å; E493-V495 PolarHBondContact O-N 3.35Å; V495-S497 PolarHBondContact O-N 3.16Å; V495-T498 WeakPolarHBondContact O-CB 3.3Å; V495-T498 PolarHBondContact O-N 2.84Å; V495-Y499 WeakPolarHBondContact O-CB 3.43Å; V495-Y499 PolarHBondContact O-N 3.24Å; V495-I517 HydrophobicContact CG2-CD1 4.45Å; V495-I517 HydrophobicContact CG2-CG2 4.07Å; V495-T554 HydrophobicContact CG2-CG2 4.34Å; V495-L558 HydrophobicContact CG1-CB 4.42Å; V495-L558 HydrophobicContact CG1-CD2 3.78Å; V495-L558 HydrophobicContact CG1-CG 3.64Å
496E98.7Very high96.8Very high10 Ų1018 Ų185%0.0479%0.09CC..Hα-helixtrans-53.7-54.3173-175.1-164.9-174.900110.2P492 E493 T498 Y499 L500 Y557P492-E496 PolarHBondContact O-N 3.24Å; E493-E496 PolarHBondContact O-N 2.91Å; E496-T498 VanDerWaalsContact C-N 3.32Å; E496-T498 PolarHBondContact O-N 2.6Å; E496-Y499 WeakPolarHBondContact O-CB 3.37Å; E496-Y499 PolarHBondContact O-N 2.87Å; E496-Y499 VanDerWaalsContact O-N 3.09Å; E496-L500 HydrophobicContact CG-CD1 3.88Å; E496-L500 HydrophobicContact CG-CG 4.37Å; E496-L500 WeakPolarHBondContact O-CG 3.24Å; E496-L500 PolarHBondContact O-N 2.84Å; E496-Y557 HydrophobicContact CB-CD2 3.91Å; E496-Y557 HydrophobicContact CB-CE1 4.38Å; E496-Y557 HydrophobicContact CB-CE2 3.7Å; E496-Y557 HydrophobicContact CB-CG 4.33Å; E496-Y557 HydrophobicContact CG-CE1 3.98Å; E496-Y557 HydrophobicContact CG-CE2 3.96Å
497S98.7Very high96.6Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-58.9-40.4177.9-79.90000113A440 F441 P443 G444 E493 V495 Y499 L501A440-S497 WeakPolarHBondContact O-CB 3.49Å; A440-S497 PolarHBondContact O-OG 2.95Å; F441-S497 PolarHBondContact O-OG 2.66Å; P443-S497 WeakPolarHBondContact CB-OG 3.12Å; P443-S497 WeakPolarHBondContact CD-OG 3.34Å; G444-S497 PolarHBondContact N-OG 3.33Å; E493-S497 PolarHBondContact O-N 2.97Å; E493-S497 VanDerWaalsContact O-N 3.07Å; V495-S497 PolarHBondContact O-N 3.16Å; S497-Y499 VanDerWaalsContact C-N 3.34Å; S497-L501 VanDerWaalsContact O-CB 3.26Å; S497-L501 WeakPolarHBondContact O-CB 3.48Å; S497-L501 WeakPolarHBondContact O-CD1 3.5Å; S497-L501 WeakPolarHBondContact O-CG 3.45Å; S497-L501 PolarHBondContact O-N 2.68Å
498T98.8Very high96.5Very high0 Ų013.5 Ų13.50%07%0.07CC..Hα-helixtrans-61.6-44174.8-58.50000111.2H459 L494 V495 E496 Y502 Y510 V513 L561H459-T498 PolarHBondContact NE2-OG1 2.71Å; L494-T498 WeakPolarHBondContact O-CB 3.46Å; L494-T498 PolarHBondContact O-N 3.43Å; L494-T498 PolarHBondContact O-OG1 2.71Å; V495-T498 WeakPolarHBondContact O-CB 3.3Å; V495-T498 PolarHBondContact O-N 2.84Å; E496-T498 VanDerWaalsContact C-N 3.32Å; E496-T498 PolarHBondContact O-N 2.6Å; T498-Y502 WeakPolarHBondContact O-CB 3.36Å; T498-Y502 PolarHBondContact O-N 2.94Å; T498-Y510 HydrophobicContact CG2-CD1 4.29Å; T498-Y510 VanDerWaalsContact CG2-O 3.25Å; T498-Y510 WeakPolarHBondContact CG2-O 3.48Å; T498-V513 HydrophobicContact CG2-CB 3.92Å; T498-V513 HydrophobicContact CG2-CG1 3.82Å; T498-L561 HydrophobicContact CG2-CD2 3.86Å
499Y98.4Very high96.3Very high5 Ų513.8 Ų13.82%0.027%0.071CC..Hα-helixtrans-64.5-50.2178.6164.4-107.6000111.8V495 E496 S497 Y502 Q503 Y557 L560 L561 V568 H569 F577V495-Y499 WeakPolarHBondContact O-CB 3.43Å; V495-Y499 PolarHBondContact O-N 3.24Å; E496-Y499 WeakPolarHBondContact O-CB 3.37Å; E496-Y499 PolarHBondContact O-N 2.87Å; E496-Y499 VanDerWaalsContact O-N 3.09Å; S497-Y499 VanDerWaalsContact C-N 3.34Å; Y499-Y502 WeakPolarHBondContact O-CB 3.18Å; Y499-Y502 PolarHBondContact O-N 2.8Å; Y499-Q503 HydrophobicContact CD2-CG 4.14Å; Y499-Q503 HydrophobicContact CE1-CG 4.32Å; Y499-Q503 HydrophobicContact CE2-CG 3.59Å; Y499-Q503 VanDerWaalsContact CE2-NE2 3.27Å; Y499-Q503 WeakPolarHBondContact O-CG 3.39Å; Y499-Q503 PolarHBondContact O-N 3.2Å; Y499-Y557 AromaticContact CD1-CD1 3.75Å; Y499-Y557 HydrophobicContact CD1-CD1 3.75Å; Y499-Y557 HydrophobicContact CD1-CE1 4.24Å; Y499-Y557 HydrophobicContact CE1-CD1 4.33Å; Y499-Y557 HydrophobicContact CG-CD1 4.27Å; Y499-L560 HydrophobicContact CD2-CB 3.97Å; Y499-L560 HydrophobicContact CE2-CB 3.61Å; Y499-L561 HydrophobicContact CD2-CB 4.37Å; Y499-V568 WeakPolarHBondContact OH-CG1 3.45Å; Y499-H569 AromaticContact CE2-CE1 3.97Å; Y499-H569 AromaticContact CE2-ND1 3.99Å; Y499-H569 AromaticContact CE2-NE2 2.78Å; Y499-H569 WeakPolarHBondContact CE2-NE2 3.3Å; Y499-H569 AromaticContact CZ-CE1 3.62Å; Y499-H569 AromaticContact CZ-ND1 3.98Å; Y499-H569 AromaticContact CZ-NE2 3.04Å; Y499-H569 PolarHBondContact OH-CE1 3.41Å; Y499-H569 PolarHBondContact OH-ND1 3.11Å; Y499-H569 VanDerWaalsContact OH-ND1 3.08Å; Y499-H569 PolarHBondContact OH-NE2 2.88Å; Y499-F577 AromaticContact CE1-CE2 3.7Å; Y499-F577 HydrophobicContact CE1-CE2 3.7Å; Y499-F577 AromaticContact CE1-CZ 3.96Å; Y499-F577 HydrophobicContact CE1-CZ 3.96Å
500L96.9Very high96.3Very high19 Ų1913.7 Ų13.710%0.0997%0.07CC..Hα-helixtrans-65.3-42.4-179.7-67.4176.1000112V447 E496 Y502 Q503 A504V447-L500 HydrophobicContact CB-CB 4.46Å; V447-L500 HydrophobicContact CG1-CB 4.23Å; E496-L500 HydrophobicContact CG-CD1 3.88Å; E496-L500 HydrophobicContact CG-CG 4.37Å; E496-L500 WeakPolarHBondContact O-CG 3.24Å; E496-L500 PolarHBondContact O-N 2.84Å; L500-Y502 VanDerWaalsContact C-N 3.32Å; L500-Y502 PolarHBondContact O-N 3.06Å; L500-Q503 PolarHBondContact O-N 3.01Å; L500-Q503 VanDerWaalsContact O-N 3.12Å; L500-A504 PolarHBondContact O-N 2.91Å
501L96.9Very high96.3Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-61.2-38.8172.7-80.2164.8000112.2P443 V447 V452 A455 I456 H459 S497 A504 T505 Y510P443-L501 HydrophobicContact CB-CD1 4.32Å; V447-L501 HydrophobicContact CG2-CD2 3.47Å; V447-L501 VanDerWaalsContact CG2-CD2 3.47Å; V447-L501 HydrophobicContact CG2-CG 3.77Å; V452-L501 HydrophobicContact CG1-CD2 4.38Å; A455-L501 HydrophobicContact CB-CD2 3.88Å; I456-L501 HydrophobicContact CG1-CD2 4.19Å; H459-L501 HydrophobicContact CB-CD1 3.41Å; H459-L501 VanDerWaalsContact CB-CD1 3.41Å; H459-L501 VanDerWaalsContact CG-CD1 3.45Å; S497-L501 VanDerWaalsContact O-CB 3.26Å; S497-L501 WeakPolarHBondContact O-CB 3.48Å; S497-L501 WeakPolarHBondContact O-CD1 3.5Å; S497-L501 WeakPolarHBondContact O-CG 3.45Å; S497-L501 PolarHBondContact O-N 2.68Å; L501-A504 PolarHBondContact O-N 3.18Å; L501-T505 WeakPolarHBondContact O-CB 3.27Å; L501-T505 WeakPolarHBondContact O-CG2 3.34Å; L501-T505 PolarHBondContact O-N 2.82Å; L501-T505 PolarHBondContact O-OG1 3.34Å; L501-Y510 HydrophobicContact CB-CD1 3.88Å; L501-Y510 HydrophobicContact CB-CD2 4.24Å; L501-Y510 HydrophobicContact CB-CE1 3.58Å; L501-Y510 HydrophobicContact CB-CE2 3.95Å; L501-Y510 HydrophobicContact CB-CG 4.22Å; L501-Y510 HydrophobicContact CD1-CD1 4.47Å; L501-Y510 HydrophobicContact CD1-CE1 3.67Å; L501-Y510 HydrophobicContact CG-CE1 4.16Å
502Y95.9Very high96.2Very high6 Ų612.9 Ų12.92%0.0247%0.069CC..Hα-helixtrans-64.4-41.1171.8-179.3-105.5000112.3R127 T498 Y499 L500 K506 N507 L511 L561R127-Y502 PolarHBondContact NH1-OH 2.96Å; R127-Y502 PolarHBondContact NH2-OH 3.42Å; T498-Y502 WeakPolarHBondContact O-CB 3.36Å; T498-Y502 PolarHBondContact O-N 2.94Å; Y499-Y502 WeakPolarHBondContact O-CB 3.18Å; Y499-Y502 PolarHBondContact O-N 2.8Å; L500-Y502 VanDerWaalsContact C-N 3.32Å; L500-Y502 PolarHBondContact O-N 3.06Å; Y502-K506 HydrophobicContact CE1-CD 4.23Å; Y502-K506 WeakPolarHBondContact O-CA 3.4Å; Y502-K506 WeakPolarHBondContact O-CD 3.37Å; Y502-K506 PolarHBondContact O-N 3.47Å; Y502-N507 WeakPolarHBondContact CD2-O 3.41Å; Y502-L511 HydrophobicContact CD1-CD2 4.4Å; Y502-L511 HydrophobicContact CD2-CD2 4.12Å; Y502-L511 HydrophobicContact CD2-CG 3.98Å; Y502-L511 HydrophobicContact CE1-CD2 4.21Å; Y502-L511 HydrophobicContact CE2-CD1 3.79Å; Y502-L511 HydrophobicContact CE2-CD2 3.9Å; Y502-L511 HydrophobicContact CE2-CG 3.67Å; Y502-L511 HydrophobicContact CG-CD2 4.36Å; Y502-L561 HydrophobicContact CD1-CD1 3.81Å; Y502-L561 HydrophobicContact CD2-CD1 4.44Å; Y502-L561 HydrophobicContact CG-CD1 3.64Å
503Q93.1Very high96.2Very high40 Ų4012.8 Ų12.819%0.1877%0.068CC..Hα-helixtrans-64.2-40.8177.7-67.1-58.9-32.400112.1Y499 L500 K506 H569Y499-Q503 HydrophobicContact CD2-CG 4.14Å; Y499-Q503 HydrophobicContact CE1-CG 4.32Å; Y499-Q503 HydrophobicContact CE2-CG 3.59Å; Y499-Q503 VanDerWaalsContact CE2-NE2 3.27Å; Y499-Q503 WeakPolarHBondContact O-CG 3.39Å; Y499-Q503 PolarHBondContact O-N 3.2Å; L500-Q503 PolarHBondContact O-N 3.01Å; L500-Q503 VanDerWaalsContact O-N 3.12Å; Q503-K506 VanDerWaalsContact O-CE 3.28Å; Q503-K506 WeakPolarHBondContact O-CE 3.49Å; Q503-H569 PolarHBondContact NE2-ND1 2.73Å
504A91.8Very high96.2Very high42 Ų4211.8 Ų11.835%0.3476%0.064SC..Hα-helixtrans-73.6-41.5179.800000114V447 L500 L501V447-A504 HydrophobicContact CG1-CB 3.66Å; L500-A504 PolarHBondContact O-N 2.91Å; L501-A504 PolarHBondContact O-N 3.18Å
505T91.9Very high96.2Very high12 Ų1212.9 Ų12.97%0.0747%0.069CC..Hα-helixtrans-98.6-26-173.266.50000114.1V452 L501 N507 Y510 V632V452-T505 HydrophobicContact CG1-CG2 3.91Å; L501-T505 WeakPolarHBondContact O-CB 3.27Å; L501-T505 WeakPolarHBondContact O-CG2 3.34Å; L501-T505 PolarHBondContact O-N 2.82Å; L501-T505 PolarHBondContact O-OG1 3.34Å; T505-N507 PolarHBondContact O-N 2.92Å; T505-N507 VanDerWaalsContact O-N 3.14Å; T505-N507 WeakPolarHBondContact OG1-CB 3.34Å; T505-N507 PolarHBondContact OG1-N 3.48Å; T505-Y510 HydrophobicContact CG2-CE2 4.36Å; T505-Y510 WeakPolarHBondContact OG1-CE2 3.49Å; T505-V632 HydrophobicContact CG2-CG2 4.44Å
506K91.6Very high96.1Very high58 Ų5813.5 Ų13.525%0.2527%0.072SC..  trans50.626.6-166.7-58.2-70.1173.1-178.60113.9Y502 Q503 R637Y502-K506 HydrophobicContact CE1-CD 4.23Å; Y502-K506 WeakPolarHBondContact O-CA 3.4Å; Y502-K506 WeakPolarHBondContact O-CD 3.37Å; Y502-K506 PolarHBondContact O-N 3.47Å; Q503-K506 VanDerWaalsContact O-CE 3.28Å; Q503-K506 WeakPolarHBondContact O-CE 3.49Å; K506-R637 HydrophobicContact CB-CG 4.37Å; K506-R637 VanDerWaalsContact CB-NE 3.32Å; K506-R637 WeakPolarHBondContact O-CG 3.31Å; K506-R637 PolarHBondContact O-NE 3.42Å
507N92.9Very high96.1Very high3 Ų313 Ų132%0.0167%0.07CC..  trans-81126.6-177.6-172.9-55.7000111.3Y502 T505 F509 Y510 R636 R637 S639Y502-N507 WeakPolarHBondContact CD2-O 3.41Å; T505-N507 PolarHBondContact O-N 2.92Å; T505-N507 VanDerWaalsContact O-N 3.14Å; T505-N507 WeakPolarHBondContact OG1-CB 3.34Å; T505-N507 PolarHBondContact OG1-N 3.48Å; N507-F509 PolarHBondContact O-N 3.41Å; N507-F509 VanDerWaalsContact O-N 3.1Å; N507-F509 WeakPolarHBondContact OD1-CB 3.33Å; N507-F509 PolarHBondContact OD1-N 3.16Å; N507-Y510 HydrophobicContact CB-CD2 4.11Å; N507-Y510 HydrophobicContact CB-CE2 4.1Å; N507-Y510 PolarHBondContact O-N 3.33Å; N507-R636 PolarHBondContact ND2-O 3.01Å; N507-R637 WeakPolarHBondContact CA-O 3.47Å; N507-R637 PolarHBondContact ND2-O 3.46Å; N507-S639 PolarHBondContact ND2-O 2.91Å
508P92.7Very high96.1Very high10 Ų1013 Ų137%0.0657%0.07CC..THydrogen-bonded Turntrans-55.5-23.3179.9-29.738000116.2F122 Y510 L511 H512 R637 Y638F122-P508 HydrophobicContact CB-CB 4.23Å; P508-Y510 PolarHBondContact O-N 3.4Å; P508-L511 WeakPolarHBondContact O-CB 3.5Å; P508-L511 PolarHBondContact O-N 2.92Å; P508-H512 PolarHBondContact O-CD2 3.04Å; P508-H512 VanDerWaalsContact O-CD2 3.29Å; P508-H512 PolarHBondContact O-N 2.77Å; P508-R637 WeakPolarHBondContact CD-O 3.48Å; P508-Y638 HydrophobicContact CG-CD1 4.2Å; P508-Y638 HydrophobicContact CG-CE1 4.44Å
509F95.1Very high96.1Very high6 Ų617.3 Ų17.33%0.0269%0.09CC..Hα-helixtrans-48.3-46.3175.7173.5-96000111.9Y118 Y463 N507 L511 H512 V513 P641 M647Y118-F509 AromaticContact CD1-CD2 3.99Å; Y118-F509 HydrophobicContact CD1-CD2 3.99Å; Y118-F509 HydrophobicContact CD1-CE2 4.38Å; Y118-F509 HydrophobicContact CD2-CD2 4.1Å; Y118-F509 HydrophobicContact CD2-CE2 4.12Å; Y118-F509 HydrophobicContact CE1-CD2 4.47Å; Y118-F509 HydrophobicContact CE1-CE2 4.45Å; Y118-F509 HydrophobicContact CE2-CE2 4.21Å; Y118-F509 AromaticContact CG-CD2 3.78Å; Y118-F509 HydrophobicContact CG-CD2 3.78Å; Y118-F509 HydrophobicContact CG-CE2 4.21Å; Y463-F509 HydrophobicContact CD1-CE2 4.47Å; Y463-F509 AromaticContact CD1-CZ 3.76Å; Y463-F509 HydrophobicContact CD1-CZ 3.76Å; Y463-F509 HydrophobicContact CE1-CE2 4.13Å; Y463-F509 AromaticContact CE1-CZ 3.85Å; Y463-F509 HydrophobicContact CE1-CZ 3.85Å; N507-F509 PolarHBondContact O-N 3.41Å; N507-F509 VanDerWaalsContact O-N 3.1Å; N507-F509 WeakPolarHBondContact OD1-CB 3.33Å; N507-F509 PolarHBondContact OD1-N 3.16Å; F509-L511 VanDerWaalsContact C-N 3.3Å; F509-L511 PolarHBondContact O-N 2.9Å; F509-H512 WeakPolarHBondContact O-CA 3.27Å; F509-H512 WeakPolarHBondContact O-CB 3.42Å; F509-H512 PolarHBondContact O-N 3.16Å; F509-V513 HydrophobicContact CD1-CG2 3.93Å; F509-V513 HydrophobicContact CE1-CG2 3.54Å; F509-V513 HydrophobicContact CE2-CG2 4.44Å; F509-V513 HydrophobicContact CZ-CG2 3.82Å; F509-V513 WeakPolarHBondContact O-CG2 3.17Å; F509-V513 PolarHBondContact O-N 3.03Å; F509-P641 HydrophobicContact CB-CG 3.77Å; F509-P641 HydrophobicContact CD1-CG 3.8Å; F509-P641 HydrophobicContact CG-CG 3.8Å; F509-M647 HydrophobicContact CD2-CE 4.24Å; F509-M647 HydrophobicContact CE2-CE 3.78Å; F509-M647 HydrophobicContact CZ-CE 4.24Å
510Y97.4Very high96.1Very high1 Ų118 Ų180%0.00410%0.096CC..Hα-helixtrans-67.3-27.8-178.1-60.4-68.2000113.6I456 H459 T498 L501 T505 N507 P508 V513 G514 P641I456-Y510 WeakPolarHBondContact CG1-OH 3.46Å; H459-Y510 AromaticContact CE1-CD1 3.72Å; H459-Y510 AromaticContact CE1-CE1 3.65Å; H459-Y510 AromaticContact ND1-CE1 3.55Å; T498-Y510 HydrophobicContact CG2-CD1 4.29Å; T498-Y510 VanDerWaalsContact CG2-O 3.25Å; T498-Y510 WeakPolarHBondContact CG2-O 3.48Å; L501-Y510 HydrophobicContact CB-CD1 3.88Å; L501-Y510 HydrophobicContact CB-CD2 4.24Å; L501-Y510 HydrophobicContact CB-CE1 3.58Å; L501-Y510 HydrophobicContact CB-CE2 3.95Å; L501-Y510 HydrophobicContact CB-CG 4.22Å; L501-Y510 HydrophobicContact CD1-CD1 4.47Å; L501-Y510 HydrophobicContact CD1-CE1 3.67Å; L501-Y510 HydrophobicContact CG-CE1 4.16Å; T505-Y510 HydrophobicContact CG2-CE2 4.36Å; T505-Y510 WeakPolarHBondContact OG1-CE2 3.49Å; N507-Y510 HydrophobicContact CB-CD2 4.11Å; N507-Y510 HydrophobicContact CB-CE2 4.1Å; N507-Y510 PolarHBondContact O-N 3.33Å; P508-Y510 PolarHBondContact O-N 3.4Å; Y510-V513 PolarHBondContact O-N 2.65Å; Y510-G514 PolarHBondContact O-N 2.98Å; Y510-P641 HydrophobicContact CE2-CG 4.16Å
511L97.6Very high96.2Very high6 Ų617.2 Ų17.23%0.0319%0.091CC..Hα-helixtrans-69.2-36171.7-60.1174.5000111.1F122 Y502 P508 F509 M515 L561 F562F122-L511 HydrophobicContact CB-CB 4.17Å; F122-L511 HydrophobicContact CB-CD1 3.63Å; F122-L511 HydrophobicContact CD1-CB 4.16Å; F122-L511 HydrophobicContact CD1-CD1 4.13Å; F122-L511 HydrophobicContact CD2-CB 3.44Å; F122-L511 VanDerWaalsContact CD2-CB 3.44Å; F122-L511 HydrophobicContact CD2-CD1 4.46Å; F122-L511 HydrophobicContact CE1-CB 4.4Å; F122-L511 VanDerWaalsContact CE2-C 3.48Å; F122-L511 HydrophobicContact CE2-CB 3.74Å; F122-L511 WeakPolarHBondContact CE2-O 3.05Å; F122-L511 HydrophobicContact CG-CB 3.67Å; F122-L511 HydrophobicContact CG-CD1 3.84Å; F122-L511 HydrophobicContact CG-CG 4.41Å; F122-L511 HydrophobicContact CZ-CB 4.21Å; Y502-L511 HydrophobicContact CD1-CD2 4.4Å; Y502-L511 HydrophobicContact CD2-CD2 4.12Å; Y502-L511 HydrophobicContact CD2-CG 3.98Å; Y502-L511 HydrophobicContact CE1-CD2 4.21Å; Y502-L511 HydrophobicContact CE2-CD1 3.79Å; Y502-L511 HydrophobicContact CE2-CD2 3.9Å; Y502-L511 HydrophobicContact CE2-CG 3.67Å; Y502-L511 HydrophobicContact CG-CD2 4.36Å; P508-L511 WeakPolarHBondContact O-CB 3.5Å; P508-L511 PolarHBondContact O-N 2.92Å; F509-L511 VanDerWaalsContact C-N 3.3Å; F509-L511 PolarHBondContact O-N 2.9Å; L511-M515 WeakPolarHBondContact O-CB 3.42Å; L511-M515 PolarHBondContact O-N 3.47Å; L511-L561 HydrophobicContact CD2-CD1 3.78Å; L511-L561 HydrophobicContact CD2-CG 3.97Å; L511-L561 WeakPolarHBondContact CD2-O 3.5Å; L511-F562 HydrophobicContact CB-CE1 4.26Å; L511-F562 HydrophobicContact CD2-CD1 3.95Å; L511-F562 HydrophobicContact CD2-CE1 4.09Å
512H97.1Very high96.3Very high25 Ų2519.3 Ų19.312%0.11610%0.101CC..Hα-helixtrans-68.3-38.5171.3-67.4-76.6000112.3Y118 F122 P508 F509 M515 D516Y118-H512 HydrophobicContact CD1-CB 3.68Å; Y118-H512 AromaticContact CD1-CG 3.95Å; Y118-H512 HydrophobicContact CE1-CB 3.83Å; F122-H512 AromaticContact CD2-CD2 3.79Å; F122-H512 AromaticContact CD2-CE1 3.58Å; F122-H512 AromaticContact CD2-CG 3.87Å; F122-H512 AromaticContact CD2-ND1 3.74Å; F122-H512 AromaticContact CD2-NE2 3.6Å; F122-H512 AromaticContact CE2-CE1 3.94Å; F122-H512 AromaticContact CE2-CG 3.98Å; F122-H512 AromaticContact CE2-ND1 3.7Å; P508-H512 PolarHBondContact O-CD2 3.04Å; P508-H512 VanDerWaalsContact O-CD2 3.29Å; P508-H512 PolarHBondContact O-N 2.77Å; F509-H512 WeakPolarHBondContact O-CA 3.27Å; F509-H512 WeakPolarHBondContact O-CB 3.42Å; F509-H512 PolarHBondContact O-N 3.16Å; H512-M515 PolarHBondContact O-N 3.16Å; H512-D516 PolarHBondContact O-N 2.94Å
513V98.2Very high96.4Very high0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-59.9-50.61731750000111Y463 T498 F509 Y510 M515 D516 I517Y463-V513 HydrophobicContact CD1-CG2 3.94Å; Y463-V513 HydrophobicContact CD2-CB 4.14Å; Y463-V513 HydrophobicContact CD2-CG1 3.51Å; Y463-V513 HydrophobicContact CD2-CG2 3.85Å; Y463-V513 HydrophobicContact CE1-CG2 3.79Å; Y463-V513 HydrophobicContact CE2-CB 3.96Å; Y463-V513 HydrophobicContact CE2-CG1 3.76Å; Y463-V513 HydrophobicContact CE2-CG2 3.7Å; Y463-V513 HydrophobicContact CG-CG1 4.13Å; Y463-V513 HydrophobicContact CG-CG2 3.95Å; T498-V513 HydrophobicContact CG2-CB 3.92Å; T498-V513 HydrophobicContact CG2-CG1 3.82Å; F509-V513 HydrophobicContact CD1-CG2 3.93Å; F509-V513 HydrophobicContact CE1-CG2 3.54Å; F509-V513 HydrophobicContact CE2-CG2 4.44Å; F509-V513 HydrophobicContact CZ-CG2 3.82Å; F509-V513 WeakPolarHBondContact O-CG2 3.17Å; F509-V513 PolarHBondContact O-N 3.03Å; Y510-V513 PolarHBondContact O-N 2.65Å; V513-M515 VanDerWaalsContact C-N 3.26Å; V513-M515 PolarHBondContact O-N 3.38Å; V513-D516 PolarHBondContact O-N 3.14Å; V513-I517 HydrophobicContact CG1-CD1 3.8Å; V513-I517 HydrophobicContact CG1-CG1 4.47Å; V513-I517 WeakPolarHBondContact O-CG1 3.48Å; V513-I517 PolarHBondContact O-N 3Å
514G98.6Very high96.7Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-59.7-35.6176.500000113.4Y510 I517 L518Y510-G514 PolarHBondContact O-N 2.98Å; G514-I517 PolarHBondContact O-N 3.04Å; G514-L518 VanDerWaalsContact O-CB 3.22Å; G514-L518 WeakPolarHBondContact O-CB 3.38Å; G514-L518 PolarHBondContact O-N 3.09Å
515M98.4Very high97Very high27 Ų2725.3 Ų25.313%0.13312%0.118CC..Hα-helixtrans-66.7-46.5176.3175.1179.375.300111.2F122 L126 M130 L511 H512 V513 I517 L518 Q519F122-M515 HydrophobicContact CE2-CB 4.4Å; F122-M515 HydrophobicContact CE2-SD 4.29Å; F122-M515 HydrophobicContact CZ-CB 4.32Å; F122-M515 HydrophobicContact CZ-SD 4.17Å; L126-M515 HydrophobicContact CD1-SD 4.35Å; L126-M515 HydrophobicContact CD2-SD 3.99Å; L126-M515 HydrophobicContact CG-SD 4.44Å; M130-M515 HydrophobicContact CG-CB 4.35Å; M130-M515 HydrophobicContact CG-CG 4.26Å; M130-M515 HydrophobicContact SD-CB 4.25Å; M130-M515 HydrophobicContact SD-CG 3.68Å; M130-M515 HydrophobicContact SD-SD 4.34Å; L511-M515 WeakPolarHBondContact O-CB 3.42Å; L511-M515 PolarHBondContact O-N 3.47Å; H512-M515 PolarHBondContact O-N 3.16Å; V513-M515 VanDerWaalsContact C-N 3.26Å; V513-M515 PolarHBondContact O-N 3.38Å; M515-I517 VanDerWaalsContact C-N 3.29Å; M515-I517 PolarHBondContact O-N 2.86Å; M515-L518 PolarHBondContact O-N 2.96Å; M515-Q519 HydrophobicContact CG-CG 4.41Å; M515-Q519 VanDerWaalsContact CG-NE2 3.29Å; M515-Q519 WeakPolarHBondContact O-CB 3.22Å; M515-Q519 VanDerWaalsContact O-CG 3.24Å; M515-Q519 WeakPolarHBondContact O-CG 3.38Å; M515-Q519 PolarHBondContact O-N 3.14Å
516D98.4Very high97.4Very high13 Ų1328.3 Ų28.37%0.0713%0.13CC..Hα-helixtrans-63.4-35.3177.2-82.817.5000111.2R117 Y463 K467 H512 V513 S520R117-D516 IonicContact CZ-OD2 2.76Å; R117-D516 IonicContact NH2-OD1 3.9Å; R117-D516 PolarHBondContact NH2-OD1 3.49Å; R117-D516 IonicContact NH2-OD2 2.83Å; R117-D516 PolarHBondContact NH2-OD2 2.88Å; Y463-D516 HydrophobicContact CE2-CB 4.33Å; Y463-D516 PolarHBondContact OH-OD2 2.81Å; K467-D516 IonicContact NZ-OD2 3.21Å; K467-D516 PolarHBondContact NZ-OD2 3.21Å; H512-D516 PolarHBondContact O-N 2.94Å; V513-D516 PolarHBondContact O-N 3.14Å; D516-S520 WeakPolarHBondContact O-CB 3.27Å; D516-S520 PolarHBondContact O-N 2.86Å; D516-S520 PolarHBondContact O-OG 2.96Å
517I98.8Very high97.7Very high0 Ų027 Ų270%013%0.127CC..Hα-helixtrans-64.9-57.5172.5-69.6167.8000111W466 L494 V495 V513 G514 M515 Q519 S520 L521 L558W466-I517 HydrophobicContact CD2-CG1 3.93Å; W466-I517 HydrophobicContact CE3-CG1 4.39Å; W466-I517 HydrophobicContact CG-CG1 4.33Å; W466-I517 HydrophobicContact CH2-CG1 4.44Å; W466-I517 HydrophobicContact CH2-CG2 3.87Å; W466-I517 HydrophobicContact CZ2-CB 3.99Å; W466-I517 HydrophobicContact CZ2-CG1 3.99Å; W466-I517 HydrophobicContact CZ2-CG2 3.73Å; L494-I517 HydrophobicContact CD2-CD1 4.13Å; L494-I517 HydrophobicContact CG-CD1 4.12Å; V495-I517 HydrophobicContact CG2-CD1 4.45Å; V495-I517 HydrophobicContact CG2-CG2 4.07Å; V513-I517 HydrophobicContact CG1-CD1 3.8Å; V513-I517 HydrophobicContact CG1-CG1 4.47Å; V513-I517 WeakPolarHBondContact O-CG1 3.48Å; V513-I517 PolarHBondContact O-N 3Å; G514-I517 PolarHBondContact O-N 3.04Å; M515-I517 VanDerWaalsContact C-N 3.29Å; M515-I517 PolarHBondContact O-N 2.86Å; I517-Q519 VanDerWaalsContact C-N 3.31Å; I517-Q519 PolarHBondContact O-N 2.89Å; I517-S520 WeakPolarHBondContact O-CB 3.47Å; I517-S520 PolarHBondContact O-N 2.88Å; I517-L521 HydrophobicContact CG2-CD1 3.96Å; I517-L521 PolarHBondContact O-N 2.66Å; I517-L558 HydrophobicContact CB-CD2 4.47Å; I517-L558 HydrophobicContact CG2-CD1 4.41Å; I517-L558 HydrophobicContact CG2-CD2 4.06Å
518L98.4Very high97.9Very high0 Ų034.5 Ų34.50%016%0.159CC..Hα-helixtrans-55.5-44.5-177.6-176.969.7000111.9M130 L133 A134 M137 G514 M515 S520 L521 E522 L558 F562M130-L518 HydrophobicContact CB-CD2 4.11Å; M130-L518 WeakPolarHBondContact O-CD2 3.49Å; M130-L518 HydrophobicContact SD-CD2 4Å; L133-L518 HydrophobicContact CB-CD2 4.01Å; L133-L518 HydrophobicContact CD2-CD2 3.76Å; L133-L518 HydrophobicContact CD2-CG 3.99Å; L133-L518 HydrophobicContact CG-CD1 4.42Å; L133-L518 HydrophobicContact CG-CD2 3.87Å; L133-L518 HydrophobicContact CG-CG 4.12Å; A134-L518 HydrophobicContact CB-CD1 4.03Å; A134-L518 HydrophobicContact CB-CD2 4.44Å; M137-L518 HydrophobicContact CE-CD1 3.64Å; M137-L518 HydrophobicContact SD-CD1 3.92Å; G514-L518 VanDerWaalsContact O-CB 3.22Å; G514-L518 WeakPolarHBondContact O-CB 3.38Å; G514-L518 PolarHBondContact O-N 3.09Å; M515-L518 PolarHBondContact O-N 2.96Å; L518-S520 VanDerWaalsContact C-N 3.34Å; L518-S520 PolarHBondContact O-N 3.22Å; L518-L521 PolarHBondContact O-N 3.32Å; L518-E522 WeakPolarHBondContact O-CB 3.45Å; L518-E522 WeakPolarHBondContact O-CG 3.49Å; L518-E522 PolarHBondContact O-N 3.15Å; L518-L558 HydrophobicContact CB-CD1 4.47Å; L518-L558 HydrophobicContact CB-CD2 4.28Å; L518-L558 HydrophobicContact CD1-CD1 3.85Å; L518-F562 HydrophobicContact CD2-CE2 4.2Å
519Q98.6Very high98.2Very high91 Ų9134.2 Ų34.243%0.42516%0.157SC..Hα-helixtrans-67-32.3176.7-71.4176.87.800113.1M515 I517 K523M515-Q519 HydrophobicContact CG-CG 4.41Å; M515-Q519 VanDerWaalsContact CG-NE2 3.29Å; M515-Q519 WeakPolarHBondContact O-CB 3.22Å; M515-Q519 VanDerWaalsContact O-CG 3.24Å; M515-Q519 WeakPolarHBondContact O-CG 3.38Å; M515-Q519 PolarHBondContact O-N 3.14Å; I517-Q519 VanDerWaalsContact C-N 3.31Å; I517-Q519 PolarHBondContact O-N 2.89Å; Q519-K523 WeakPolarHBondContact O-CB 3.2Å; Q519-K523 PolarHBondContact O-N 3.22Å; Q519-K523 VanDerWaalsContact O-N 3.16Å
520S98.7Very high98.4Very high20 Ų2033.9 Ų33.914%0.1416%0.156CC..Hα-helixtrans-73.1-40.3178.3-58.20000111.4W466 G470 D516 I517 L518 K523 Y524W466-S520 PolarHBondContact NE1-OG 3.16Å; G470-S520 VanDerWaalsContact O-CB 3.23Å; G470-S520 WeakPolarHBondContact O-CB 3.36Å; D516-S520 WeakPolarHBondContact O-CB 3.27Å; D516-S520 PolarHBondContact O-N 2.86Å; D516-S520 PolarHBondContact O-OG 2.96Å; I517-S520 WeakPolarHBondContact O-CB 3.47Å; I517-S520 PolarHBondContact O-N 2.88Å; L518-S520 VanDerWaalsContact C-N 3.34Å; L518-S520 PolarHBondContact O-N 3.22Å; S520-K523 PolarHBondContact O-N 2.84Å; S520-Y524 WeakPolarHBondContact O-CB 3.24Å; S520-Y524 WeakPolarHBondContact O-CD2 3.35Å; S520-Y524 PolarHBondContact O-N 3.49Å
521L98.8Very high98.4Very high1 Ų133.9 Ų33.91%0.00516%0.156CC..Hα-helixtrans-62.4-53.7173.2-67.4169.5000111.2M137 W466 Y488 L490 I517 L518 K523 Y524 T525 K526 F550 T554 L558M137-L521 HydrophobicContact CE-CB 3.72Å; M137-L521 HydrophobicContact CE-CD1 4.45Å; M137-L521 HydrophobicContact SD-CD1 4.33Å; W466-L521 HydrophobicContact CH2-CD2 4.3Å; W466-L521 HydrophobicContact CH2-CG 4.38Å; W466-L521 HydrophobicContact CZ2-CG 4.42Å; Y488-L521 HydrophobicContact CE1-CD2 3.82Å; L490-L521 HydrophobicContact CD2-CD2 4.35Å; I517-L521 HydrophobicContact CG2-CD1 3.96Å; I517-L521 PolarHBondContact O-N 2.66Å; L518-L521 PolarHBondContact O-N 3.32Å; L521-K523 PolarHBondContact O-N 2.71Å; L521-K523 VanDerWaalsContact O-N 3.09Å; L521-Y524 PolarHBondContact O-N 3.13Å; L521-T525 HydrophobicContact CD2-CG2 4.09Å; L521-T525 PolarHBondContact O-N 3.49Å; L521-T525 PolarHBondContact O-OG1 2.74Å; L521-K526 PolarHBondContact O-N 3.46Å; L521-F550 HydrophobicContact CD1-CE2 4.43Å; L521-T554 HydrophobicContact CD1-CG2 3.88Å; L521-L558 HydrophobicContact CD1-CD1 3.87Å
522E98.6Very high98.5Very high45 Ų4533.6 Ų33.621%0.2115%0.154CC..Hα-helixtrans-52.2-35.2175.5-81.9-67.3121.300113.3L133 M137 L518 K526 Y531L133-E522 HydrophobicContact CD1-CG 4.03Å; L133-E522 HydrophobicContact CD2-CG 4.31Å; L133-E522 HydrophobicContact CG-CG 4.32Å; M137-E522 HydrophobicContact CE-CG 3.77Å; M137-E522 WeakPolarHBondContact CE-OE1 3.32Å; L518-E522 WeakPolarHBondContact O-CB 3.45Å; L518-E522 WeakPolarHBondContact O-CG 3.49Å; L518-E522 PolarHBondContact O-N 3.15Å; E522-K526 VanDerWaalsContact O-CB 3.31Å; E522-K526 WeakPolarHBondContact O-CB 3.45Å; E522-K526 IonicContact OE1-NZ 3.5Å; E522-K526 PolarHBondContact OE1-NZ 2.99Å; E522-K526 WeakPolarHBondContact OE2-CD 3.49Å; E522-K526 IonicContact OE2-NZ 3.76Å; E522-K526 PolarHBondContact OE2-NZ 3.03Å; E522-Y531 PolarHBondContact OE1-OH 2.75Å
523K98.6Very high98.5Very high144 Ų14432.4 Ų32.463%0.62615%0.149SC*.Hα-helixtrans-84.9-37.9-176.4-175.3-177.9174.7-162.20114.1Q519 S520 L521Q519-K523 WeakPolarHBondContact O-CB 3.2Å; Q519-K523 PolarHBondContact O-N 3.22Å; Q519-K523 VanDerWaalsContact O-N 3.16Å; S520-K523 PolarHBondContact O-N 2.84Å; L521-K523 PolarHBondContact O-N 2.71Å; L521-K523 VanDerWaalsContact O-N 3.09Å
524Y98.6Very high98.5Very high67 Ų6732.4 Ų32.426%0.26315%0.149SC..Hα-helixtrans-110.7-26.9-168.4-58.4-53000114.4S520 L521 L534 K540S520-Y524 WeakPolarHBondContact O-CB 3.24Å; S520-Y524 WeakPolarHBondContact O-CD2 3.35Å; S520-Y524 PolarHBondContact O-N 3.49Å; L521-Y524 PolarHBondContact O-N 3.13Å; Y524-L534 WeakPolarHBondContact O-CD2 3.19Å; Y524-K540 HydrophobicContact CD1-CB 4.33Å; Y524-K540 HydrophobicContact CD1-CD 3.93Å; Y524-K540 HydrophobicContact CD1-CG 3.77Å; Y524-K540 HydrophobicContact CD2-CD 4.29Å; Y524-K540 HydrophobicContact CE1-CD 4.4Å; Y524-K540 HydrophobicContact CE1-CG 4.13Å; Y524-K540 HydrophobicContact CG-CD 3.88Å; Y524-K540 HydrophobicContact CG-CG 4.23Å
525T98.7Very high98.5Very high2 Ų237.2 Ų37.21%0.01217%0.171CC..THydrogen-bonded Turntrans-106.9-22.9-175.665.30000112.9L490 L521 V527 Y531 A532 L534L490-T525 HydrophobicContact CD2-CG2 3.55Å; L521-T525 HydrophobicContact CD2-CG2 4.09Å; L521-T525 PolarHBondContact O-N 3.49Å; L521-T525 PolarHBondContact O-OG1 2.74Å; T525-V527 PolarHBondContact O-N 2.88Å; T525-Y531 CarbonylContact O-C 3.6Å; T525-Y531 WeakPolarHBondContact O-CA 3.31Å; T525-A532 VanDerWaalsContact CB-O 3.27Å; T525-A532 WeakPolarHBondContact CB-O 3.32Å; T525-A532 PolarHBondContact O-N 2.96Å; T525-L534 HydrophobicContact CG2-CD1 4.28Å; T525-L534 HydrophobicContact CG2-CD2 3.97Å; T525-L534 HydrophobicContact CG2-CG 3.86Å
526K98.8Very high98.5Very high76 Ų7638 Ų3833%0.3317%0.174SC..EExtended strand (participates in β ladder)trans-63.7123.2178.2-161.8173.2-162.6138.50112.3F140 L521 E522 Y531F140-K526 HydrophobicContact CD1-CG 4.44Å; F140-K526 HydrophobicContact CE1-CG 3.99Å; L521-K526 PolarHBondContact O-N 3.46Å; E522-K526 VanDerWaalsContact O-CB 3.31Å; E522-K526 WeakPolarHBondContact O-CB 3.45Å; E522-K526 IonicContact OE1-NZ 3.5Å; E522-K526 PolarHBondContact OE1-NZ 2.99Å; E522-K526 WeakPolarHBondContact OE2-CD 3.49Å; E522-K526 IonicContact OE2-NZ 3.76Å; E522-K526 PolarHBondContact OE2-NZ 3.03Å; K526-Y531 HydrophobicContact CB-CD1 3.9Å; K526-Y531 HydrophobicContact CB-CE1 3.62Å; K526-Y531 HydrophobicContact CD-CE1 3.98Å; K526-Y531 VanDerWaalsContact CE-OH 3.28Å; K526-Y531 WeakPolarHBondContact CE-OH 3.44Å; K526-Y531 HydrophobicContact CG-CD1 4.23Å; K526-Y531 HydrophobicContact CG-CE1 3.63Å; K526-Y531 PolarHBondContact NZ-OH 2.56Å
527V98.7Very high98.4Very high31 Ų3137.4 Ų37.419%0.18817%0.171CC..EExtended strand (participates in β ladder)trans-128.4-174.8178-64.30000110.6F140 P157 I158 T525 C529 G530 A532F140-V527 WeakPolarHBondContact CE1-O 3.32Å; P157-V527 HydrophobicContact CB-CG2 3.62Å; P157-V527 HydrophobicContact CG-CG2 3.79Å; P157-V527 WeakPolarHBondContact O-CG2 3.47Å; I158-V527 HydrophobicContact CG1-CB 4.27Å; I158-V527 HydrophobicContact CG1-CG1 4.17Å; I158-V527 HydrophobicContact CG1-CG2 4.05Å; T525-V527 PolarHBondContact O-N 2.88Å; V527-C529 VanDerWaalsContact C-N 3.29Å; V527-C529 PolarHBondContact O-N 3.49Å; V527-C529 VanDerWaalsContact O-N 3.13Å; V527-G530 WeakPolarHBondContact CG2-O 3.5Å; V527-G530 PolarHBondContact N-O 3.43Å; V527-G530 PolarHBondContact O-N 3.37Å; V527-A532 HydrophobicContact CB-CB 4.44Å; V527-A532 HydrophobicContact CG1-CB 3.73Å; V527-A532 HydrophobicContact CG2-CB 3.83Å
528K98.1Very high98.3Very high159 Ų15941.9 Ų41.969%0.69119%0.194SC*.THydrogen-bonded Turntrans-49.5-43.2-169.1-175.1-175.1163.6-161.50114.5C160C160-K528 VanDerWaalsContact SG-CD 3.59Å
529C98.3Very high98.2Very high4 Ų446.7 Ų46.73%0.02722%0.22CC..THydrogen-bonded Turntrans-127.223.6-174.4-63.70000113.2N144 L155 P157 C160 V527N144-C529 HydrophobicContact CB-CB 4.14Å; N144-C529 WeakPolarHBondContact CB-O 3.47Å; N144-C529 WeakPolarHBondContact OD1-CA 3.43Å; N144-C529 WeakPolarHBondContact OD1-CB 3.33Å; L155-C529 WeakPolarHBondContact CD2-O 3.44Å; P157-C529 PolarHBondContact O-N 3.44Å; C160-C529 HydrophobicContact CB-CB 3.79Å; C160-C529 WeakPolarHBondContact CB-SG 3.06Å; C160-C529 WeakPolarHBondContact SG-CB 2.82Å; C160-C529 CovalentContact SG-SG 2.03Å; C160-C529 PolarHBondContact SG-SG 3.46Å; V527-C529 VanDerWaalsContact C-N 3.29Å; V527-C529 PolarHBondContact O-N 3.49Å; V527-C529 VanDerWaalsContact O-N 3.13Å
530G98.5Very high98.2Very high0 Ų044.8 Ų44.80%021%0.21CC..EExtended strand (participates in β ladder)trans157.1-150.4179.700000112.4V527V527-G530 WeakPolarHBondContact CG2-O 3.5Å; V527-G530 PolarHBondContact N-O 3.43Å; V527-G530 PolarHBondContact O-N 3.37Å
531Y98.8Very high98.2Very high0 Ų045.8 Ų45.80%022%0.217CC..EExtended strand (participates in β ladder)trans-117.6123.8178.4-59.1-95.3000109.2M137 F140 L490 E522 T525 K526 M546 F550M137-Y531 WeakPolarHBondContact CA-OH 3.43Å; M137-Y531 HydrophobicContact CE-CE1 3.98Å; M137-Y531 HydrophobicContact CG-CD2 4.48Å; M137-Y531 HydrophobicContact CG-CE1 4.05Å; M137-Y531 HydrophobicContact CG-CE2 3.82Å; M137-Y531 WeakPolarHBondContact O-CE2 3.19Å; F140-Y531 HydrophobicContact CB-CE2 4.48Å; F140-Y531 HydrophobicContact CD1-CD2 4.5Å; F140-Y531 AromaticContact CD1-CE2 3.67Å; F140-Y531 HydrophobicContact CD1-CE2 3.67Å; F140-Y531 AromaticContact CD1-CZ 3.89Å; F140-Y531 HydrophobicContact CE1-CE2 4.5Å; L490-Y531 WeakPolarHBondContact CD1-O 3.37Å; E522-Y531 PolarHBondContact OE1-OH 2.75Å; T525-Y531 CarbonylContact O-C 3.6Å; T525-Y531 WeakPolarHBondContact O-CA 3.31Å; K526-Y531 HydrophobicContact CB-CD1 3.9Å; K526-Y531 HydrophobicContact CB-CE1 3.62Å; K526-Y531 HydrophobicContact CD-CE1 3.98Å; K526-Y531 VanDerWaalsContact CE-OH 3.28Å; K526-Y531 WeakPolarHBondContact CE-OH 3.44Å; K526-Y531 HydrophobicContact CG-CD1 4.23Å; K526-Y531 HydrophobicContact CG-CE1 3.63Å; K526-Y531 PolarHBondContact NZ-OH 2.56Å; Y531-M546 HydrophobicContact CD2-SD 4.41Å; Y531-M546 PolarHBondContact N-SD 3.37Å; Y531-M546 WeakPolarHBondContact O-CB 3.39Å; Y531-M546 VanDerWaalsContact O-CG 3.23Å; Y531-M546 WeakPolarHBondContact O-CG 3.39Å; Y531-F550 HydrophobicContact CD1-CE1 4.43Å; Y531-F550 HydrophobicContact CD1-CZ 4.02Å; Y531-F550 HydrophobicContact CD2-CD1 4.23Å; Y531-F550 AromaticContact CD2-CE1 3.21Å; Y531-F550 HydrophobicContact CD2-CE1 3.21Å; Y531-F550 AromaticContact CD2-CZ 3.62Å; Y531-F550 HydrophobicContact CD2-CZ 3.62Å; Y531-F550 AromaticContact CE2-CE1 3.98Å; Y531-F550 HydrophobicContact CE2-CE1 3.98Å; Y531-F550 HydrophobicContact CE2-CZ 4.25Å; Y531-F550 HydrophobicContact CG-CD1 4.46Å; Y531-F550 AromaticContact CG-CE1 3.5Å; Y531-F550 HydrophobicContact CG-CE1 3.5Å; Y531-F550 AromaticContact CG-CZ 3.5Å; Y531-F550 HydrophobicContact CG-CZ 3.5Å
532A98.5Very high98.1Very high0 Ų048.3 Ų48.30%023%0.233CC..  trans-93.6132.4-179.500000110.5P157 I158 T525 V527 T542 E543 R545P157-A532 HydrophobicContact CG-CB 4.05Å; I158-A532 HydrophobicContact CD1-CB 4.31Å; I158-A532 HydrophobicContact CG1-CB 4.22Å; T525-A532 VanDerWaalsContact CB-O 3.27Å; T525-A532 WeakPolarHBondContact CB-O 3.32Å; T525-A532 PolarHBondContact O-N 2.96Å; V527-A532 HydrophobicContact CB-CB 4.44Å; V527-A532 HydrophobicContact CG1-CB 3.73Å; V527-A532 HydrophobicContact CG2-CB 3.83Å; A532-T542 HydrophobicContact CB-CG2 3.9Å; A532-E543 WeakPolarHBondContact CB-O 3.37Å; A532-R545 WeakPolarHBondContact CA-O 3.37Å
533T98.1Very high98.1Very high0 Ų048.6 Ų48.60%023%0.234CC..  trans-43.6138.2161-73.10000111.6F487 P489 T542 E543 R545F487-T533 HydrophobicContact CD2-CG2 3.87Å; F487-T533 HydrophobicContact CE1-CG2 4.4Å; F487-T533 HydrophobicContact CE2-CG2 3.16Å; F487-T533 HydrophobicContact CZ-CG2 3.49Å; F487-T533 VanDerWaalsContact CZ-CG2 3.49Å; P489-T533 WeakPolarHBondContact CA-OG1 3.49Å; P489-T533 HydrophobicContact CB-CG2 4.2Å; T533-T542 CarbonylContact O-C 3.57Å; T533-T542 VanDerWaalsContact O-CA 3.3Å; T533-T542 WeakPolarHBondContact O-CA 3.5Å; T533-E543 HydrophobicContact CG2-CB 4.17Å; T533-E543 HydrophobicContact CG2-CG 4.42Å; T533-E543 PolarHBondContact O-N 2.98Å; T533-R545 PolarHBondContact N-O 3.05Å; T533-R545 PolarHBondContact OG1-O 3.42Å
534L98.3Very high98Very high1 Ų142.9 Ų42.91%0.00521%0.21CC..BIsolated β-bridgetrans-83.3123.6170.4-60.7177.2000109.2A471 F487 Y488 Y524 T525 H536 V537 K540 S541 T542A471-L534 HydrophobicContact CB-CD1 3.81Å; F487-L534 CarbonylContact C-O 3.53Å; F487-L534 WeakPolarHBondContact CA-O 3.21Å; F487-L534 WeakPolarHBondContact CD2-O 3.29Å; Y488-L534 HydrophobicContact CD1-CD1 4.22Å; Y488-L534 HydrophobicContact CD1-CG 4.43Å; Y488-L534 PolarHBondContact N-O 3.17Å; Y488-L534 PolarHBondContact O-N 2.99Å; Y524-L534 WeakPolarHBondContact O-CD2 3.19Å; T525-L534 HydrophobicContact CG2-CD1 4.28Å; T525-L534 HydrophobicContact CG2-CD2 3.97Å; T525-L534 HydrophobicContact CG2-CG 3.86Å; L534-H536 VanDerWaalsContact C-N 3.3Å; L534-V537 HydrophobicContact CD1-CG1 4.21Å; L534-K540 HydrophobicContact CD1-CD 4.3Å; L534-S541 CarbonylContact C-O 3.35Å; L534-T542 HydrophobicContact CD2-CG2 3.93Å
535H97.8Very high98Very high101 Ų10140.9 Ų40.947%0.46820%0.202SC..SBendtrans-65.4-39.1167.6-174.263.3000110.7L486 F487 S541 E543L486-H535 CarbonylContact C-O 3.54Å; F487-H535 WeakPolarHBondContact CA-O 3.43Å; H535-S541 PolarHBondContact N-O 3.36Å; H535-E543 HydrophobicContact CB-CG 3.73Å; H535-E543 IonicContact CE1-OE1 3.18Å; H535-E543 IonicContact CG-OE1 3.88Å; H535-E543 IonicContact ND1-OE1 3.6Å; H535-E543 PolarHBondContact ND1-OE1 2.98Å
536H97.8Very high98Very high43 Ų4340.8 Ų40.820%0.19920%0.202CC..  trans-146.9109.1-171.5-174-4.3000111.9L486 L534 I538 D539 K540 S541L486-H536 HydrophobicContact CB-CB 4.5Å; L486-H536 CarbonylContact O-C 3.59Å; L486-H536 VanDerWaalsContact O-CA 3.26Å; L486-H536 WeakPolarHBondContact O-CA 3.48Å; L534-H536 VanDerWaalsContact C-N 3.3Å; H536-I538 VanDerWaalsContact CE1-CB 3.49Å; H536-I538 WeakPolarHBondContact CE1-CB 3.45Å; H536-I538 PolarHBondContact ND1-N 2.97Å; H536-I538 PolarHBondContact O-N 3.43Å; H536-D539 WeakPolarHBondContact CB-OD1 3.45Å; H536-D539 IonicContact CD2-OD1 3.69Å; H536-D539 IonicContact CD2-OD2 2.67Å; H536-D539 PolarHBondContact CD2-OD2 2.98Å; H536-D539 IonicContact CG-OD1 3.22Å; H536-D539 IonicContact CG-OD2 3.59Å; H536-D539 IonicContact NE2-OD2 2.73Å; H536-K540 WeakPolarHBondContact O-CA 3.48Å; H536-K540 PolarHBondContact O-N 3.4Å; H536-S541 WeakPolarHBondContact CB-OG 3.38Å; H536-S541 PolarHBondContact N-O 3.12Å
537V97.4Very high97.9Very high0 Ų037.9 Ų37.90%019%0.189CC..THydrogen-bonded Turntrans-67.70.7-176.8-620000115.3Y469 A471 P473 P483 L486 L534 K540Y469-V537 HydrophobicContact CD1-CG2 4.36Å; Y469-V537 HydrophobicContact CG-CG2 4.3Å; A471-V537 HydrophobicContact CB-CB 4.35Å; A471-V537 HydrophobicContact CB-CG1 3.71Å; P473-V537 HydrophobicContact CB-CG2 3.82Å; P473-V537 HydrophobicContact CG-CG2 4.46Å; P483-V537 HydrophobicContact CG-CG2 4.44Å; L486-V537 WeakPolarHBondContact O-CG1 3.48Å; L486-V537 PolarHBondContact O-N 2.84Å; L534-V537 HydrophobicContact CD1-CG1 4.21Å; V537-K540 PolarHBondContact O-NZ 3.39Å
538I96.7Very high97.9Very high94 Ų9436.4 Ų36.448%0.48218%0.181SC..THydrogen-bonded Turntrans-97.7-64.7174.3-54-176.3000109.1Y469 L486 H536 K540Y469-I538 HydrophobicContact CD1-CG1 4.07Å; Y469-I538 HydrophobicContact CE1-CD1 4.28Å; Y469-I538 HydrophobicContact CE1-CG1 4.07Å; L486-I538 HydrophobicContact CD2-CD1 3.98Å; L486-I538 HydrophobicContact CD2-CG1 4.11Å; H536-I538 VanDerWaalsContact CE1-CB 3.49Å; H536-I538 WeakPolarHBondContact CE1-CB 3.45Å; H536-I538 PolarHBondContact ND1-N 2.97Å; H536-I538 PolarHBondContact O-N 3.43Å; I538-K540 VanDerWaalsContact C-N 3.31Å; I538-K540 PolarHBondContact O-N 3.36Å; I538-K540 PolarHBondContact O-NZ 3.16Å
539D97Very high97.9Very high101 Ų10129.3 Ų29.354%0.5415%0.15SC..THydrogen-bonded Turntrans-75.4-14.6-177.971.618.8000114.8H536 S541H536-D539 WeakPolarHBondContact CB-OD1 3.45Å; H536-D539 IonicContact CD2-OD1 3.69Å; H536-D539 IonicContact CD2-OD2 2.67Å; H536-D539 PolarHBondContact CD2-OD2 2.98Å; H536-D539 IonicContact CG-OD1 3.22Å; H536-D539 IonicContact CG-OD2 3.59Å; H536-D539 IonicContact NE2-OD2 2.73Å; D539-S541 VanDerWaalsContact C-N 3.33Å; D539-S541 VanDerWaalsContact OD1-CB 3.27Å; D539-S541 WeakPolarHBondContact OD1-CB 3.3Å; D539-S541 PolarHBondContact OD1-N 2.91Å; D539-S541 PolarHBondContact OD1-OG 2.9Å
540K97.8Very high98Very high51 Ų5129.1 Ų29.122%0.22215%0.148CC..  trans67.425.5-179.5-49-62.3-173.8-75.30114.6Y469 Y524 L534 H536 V537 I538Y469-K540 WeakPolarHBondContact O-CE 3.46Å; Y469-K540 PolarHBondContact O-NZ 3.21Å; Y524-K540 HydrophobicContact CD1-CB 4.33Å; Y524-K540 HydrophobicContact CD1-CD 3.93Å; Y524-K540 HydrophobicContact CD1-CG 3.77Å; Y524-K540 HydrophobicContact CD2-CD 4.29Å; Y524-K540 HydrophobicContact CE1-CD 4.4Å; Y524-K540 HydrophobicContact CE1-CG 4.13Å; Y524-K540 HydrophobicContact CG-CD 3.88Å; Y524-K540 HydrophobicContact CG-CG 4.23Å; L534-K540 HydrophobicContact CD1-CD 4.3Å; H536-K540 WeakPolarHBondContact O-CA 3.48Å; H536-K540 PolarHBondContact O-N 3.4Å; V537-K540 PolarHBondContact O-NZ 3.39Å; I538-K540 VanDerWaalsContact C-N 3.31Å; I538-K540 PolarHBondContact O-N 3.36Å; I538-K540 PolarHBondContact O-NZ 3.16Å
541S98.1Very high98Very high42 Ų4229.1 Ų29.129%0.29415%0.148SC..  trans-62.5145.7164.4540000111.3L534 H535 H536 D539L534-S541 CarbonylContact C-O 3.35Å; H535-S541 PolarHBondContact N-O 3.36Å; H536-S541 WeakPolarHBondContact CB-OG 3.38Å; H536-S541 PolarHBondContact N-O 3.12Å; D539-S541 VanDerWaalsContact C-N 3.33Å; D539-S541 VanDerWaalsContact OD1-CB 3.27Å; D539-S541 WeakPolarHBondContact OD1-CB 3.3Å; D539-S541 PolarHBondContact OD1-N 2.91Å; D539-S541 PolarHBondContact OD1-OG 2.9Å
542T98.1Very high97.9Very high53 Ų5329.1 Ų29.133%0.32515%0.148SC..BIsolated β-bridgetrans-118.1152.3-171.141.30000112.3A532 T533 L534A532-T542 HydrophobicContact CB-CG2 3.9Å; T533-T542 CarbonylContact O-C 3.57Å; T533-T542 VanDerWaalsContact O-CA 3.3Å; T533-T542 WeakPolarHBondContact O-CA 3.5Å; L534-T542 HydrophobicContact CD2-CG2 3.93Å
543E96.9Very high98Very high52 Ų5229.7 Ų29.724%0.24315%0.151CC..  trans-105.4147.1167.8-59.1-164.3-17700110.9A532 T533 H535 R545A532-E543 WeakPolarHBondContact CB-O 3.37Å; T533-E543 HydrophobicContact CG2-CB 4.17Å; T533-E543 HydrophobicContact CG2-CG 4.42Å; T533-E543 PolarHBondContact O-N 2.98Å; H535-E543 HydrophobicContact CB-CG 3.73Å; H535-E543 IonicContact CE1-OE1 3.18Å; H535-E543 IonicContact CG-OE1 3.88Å; H535-E543 IonicContact ND1-OE1 3.6Å; H535-E543 PolarHBondContact ND1-OE1 2.98Å; E543-R545 PolarHBondContact O-N 3.48Å
544D97.7Very high98Very high23 Ų2329.7 Ų29.712%0.12315%0.151CC..SBendtrans-78.562.1-179.4-174.238000111.6N156 I158 H159 R161 R163N156-D544 WeakPolarHBondContact CA-OD1 3.25Å; N156-D544 WeakPolarHBondContact CB-OD1 3.49Å; N156-D544 WeakPolarHBondContact CB-OD2 3.27Å; N156-D544 PolarHBondContact OD1-O 2.82Å; I158-D544 WeakPolarHBondContact CA-OD1 3.46Å; I158-D544 HydrophobicContact CB-CB 4.21Å; I158-D544 VanDerWaalsContact CB-OD1 3.29Å; I158-D544 WeakPolarHBondContact CB-OD1 3.34Å; I158-D544 HydrophobicContact CD1-CB 4.11Å; I158-D544 HydrophobicContact CG1-CB 4.31Å; I158-D544 PolarHBondContact N-OD1 3.44Å; H159-D544 IonicContact CE1-OD2 3.57Å; H159-D544 IonicContact CG-OD2 3.88Å; H159-D544 PolarHBondContact N-OD1 3.13Å; H159-D544 VanDerWaalsContact N-OD1 3.12Å; H159-D544 VanDerWaalsContact ND1-CG 3.3Å; H159-D544 IonicContact ND1-OD1 3.48Å; H159-D544 IonicContact ND1-OD2 2.85Å; H159-D544 PolarHBondContact ND1-OD2 3.29Å; R161-D544 IonicContact NE-OD2 2.74Å; R161-D544 IonicContact NH2-OD2 2.73Å; R163-D544 PolarHBondContact NH2-O 3.04Å
545R97.3Very high98Very high25 Ų2529.7 Ų29.79%0.09415%0.151CC..  trans-144.8139.3174.8-165.1177.8-174-155.5-8.2111E154 A532 T533 E543 E547E154-R545 IonicContact OE1-CZ 3.21Å; E154-R545 IonicContact OE1-NE 3.77Å; E154-R545 PolarHBondContact OE1-NE 3.42Å; E154-R545 IonicContact OE1-NH2 3.37Å; E154-R545 PolarHBondContact OE1-NH2 3.15Å; E154-R545 IonicContact OE2-CZ 2.77Å; E154-R545 IonicContact OE2-NE 2.75Å; E154-R545 PolarHBondContact OE2-NE 2.89Å; E154-R545 IonicContact OE2-NH2 3.99Å; E154-R545 PolarHBondContact OE2-NH2 3.14Å; A532-R545 WeakPolarHBondContact CA-O 3.37Å; T533-R545 PolarHBondContact N-O 3.05Å; T533-R545 PolarHBondContact OG1-O 3.42Å; E543-R545 PolarHBondContact O-N 3.48Å; R545-E547 WeakPolarHBondContact CD-OE1 3.35Å; R545-E547 IonicContact CZ-OE1 2.78Å; R545-E547 IonicContact CZ-OE2 3.14Å; R545-E547 IonicContact NE-OE1 3.75Å; R545-E547 PolarHBondContact NE-OE1 3.41Å; R545-E547 IonicContact NE-OE2 2.85Å; R545-E547 IonicContact NH1-OE1 3.22Å; R545-E547 PolarHBondContact NH1-OE1 3.07Å; R545-E547 IonicContact NH1-OE2 3.78Å; R545-E547 PolarHBondContact NH1-OE2 3.23Å; R545-E547 IonicContact NH2-OE1 3.93Å; R545-E547 IonicContact NH2-OE2 2.79Å; R545-E547 PolarHBondContact NH2-OE2 3.39Å
546M98.4Very high98.1Very high1 Ų124.9 Ų24.91%0.00513%0.129CC..BIsolated β-bridgetrans-120.5108.2163.4-169.317379.200107L155 P157 L490 Y531 F550 L551L155-M546 HydrophobicContact CB-CB 4.46Å; L155-M546 HydrophobicContact CB-CE 4.17Å; L155-M546 HydrophobicContact CD2-CE 3.95Å; L155-M546 PolarHBondContact O-N 2.89Å; P157-M546 HydrophobicContact CB-CB 4.49Å; P157-M546 HydrophobicContact CG-CB 4.16Å; L490-M546 HydrophobicContact CD1-CG 4.27Å; Y531-M546 HydrophobicContact CD2-SD 4.41Å; Y531-M546 PolarHBondContact N-SD 3.37Å; Y531-M546 WeakPolarHBondContact O-CB 3.39Å; Y531-M546 VanDerWaalsContact O-CG 3.23Å; Y531-M546 WeakPolarHBondContact O-CG 3.39Å; M546-F550 HydrophobicContact CG-CD1 4.08Å; M546-F550 HydrophobicContact SD-CD1 4.06Å; M546-L551 HydrophobicContact CE-CD1 3.97Å; M546-L551 HydrophobicContact CE-CD2 4.46Å; M546-L551 HydrophobicContact CE-CG 4.21Å
547E97.8Very high98.1Very high14 Ų1422.8 Ų22.87%0.06512%0.119CC..  trans-64.1147.1177.2-49.9-81.3162.100109.9P489 R545 F549 F550P489-E547 HydrophobicContact CB-CG 4.09Å; R545-E547 WeakPolarHBondContact CD-OE1 3.35Å; R545-E547 IonicContact CZ-OE1 2.78Å; R545-E547 IonicContact CZ-OE2 3.14Å; R545-E547 IonicContact NE-OE1 3.75Å; R545-E547 PolarHBondContact NE-OE1 3.41Å; R545-E547 IonicContact NE-OE2 2.85Å; R545-E547 IonicContact NH1-OE1 3.22Å; R545-E547 PolarHBondContact NH1-OE1 3.07Å; R545-E547 IonicContact NH1-OE2 3.78Å; R545-E547 PolarHBondContact NH1-OE2 3.23Å; R545-E547 IonicContact NH2-OE1 3.93Å; R545-E547 IonicContact NH2-OE2 2.79Å; R545-E547 PolarHBondContact NH2-OE2 3.39Å; E547-F549 VanDerWaalsContact C-N 3.31Å; E547-F549 HydrophobicContact CB-CD1 3.69Å; E547-F549 HydrophobicContact CB-CD2 4.3Å; E547-F549 HydrophobicContact CB-CE1 3.38Å; E547-F549 HydrophobicContact CB-CE2 4.02Å; E547-F549 HydrophobicContact CB-CG 4.14Å; E547-F549 HydrophobicContact CB-CZ 3.57Å; E547-F549 HydrophobicContact CG-CD1 4.42Å; E547-F549 HydrophobicContact CG-CE1 3.62Å; E547-F549 HydrophobicContact CG-CE2 4.27Å; E547-F549 HydrophobicContact CG-CZ 3.53Å; E547-F549 PolarHBondContact O-N 2.89Å; E547-F550 WeakPolarHBondContact O-CB 3.45Å; E547-F550 PolarHBondContact O-N 2.9Å
548S98.4Very high98.2Very high1 Ų122.8 Ų22.81%0.00712%0.119CC..THydrogen-bonded Turntrans-62.8-38-177.764.40000112.8L184 D188 R229 F550 L551 S552L184-S548 WeakPolarHBondContact CD2-OG 3.23Å; D188-S548 WeakPolarHBondContact OD2-CB 3.4Å; D188-S548 PolarHBondContact OD2-OG 3.12Å; R229-S548 PolarHBondContact NH1-OG 3.01Å; R229-S548 VanDerWaalsContact NH1-OG 3.12Å; S548-F550 PolarHBondContact O-N 3.26Å; S548-F550 VanDerWaalsContact O-N 3.1Å; S548-L551 PolarHBondContact O-N 3.48Å; S548-S552 PolarHBondContact O-N 3.33Å
549F98.6Very high98.3Very high10 Ų1018.7 Ų18.74%0.04410%0.098CC..Hα-helixtrans-60.5-19.6177.764.7-109.6000114.4P489 P492 E547 L551 S552 E553 T554 E580P489-F549 HydrophobicContact CB-CZ 4.34Å; P489-F549 HydrophobicContact CG-CZ 4.44Å; P489-F549 WeakPolarHBondContact O-CE2 3.49Å; P489-F549 WeakPolarHBondContact O-CZ 3.34Å; P492-F549 HydrophobicContact CG-CD2 4.44Å; E547-F549 VanDerWaalsContact C-N 3.31Å; E547-F549 HydrophobicContact CB-CD1 3.69Å; E547-F549 HydrophobicContact CB-CD2 4.3Å; E547-F549 HydrophobicContact CB-CE1 3.38Å; E547-F549 HydrophobicContact CB-CE2 4.02Å; E547-F549 HydrophobicContact CB-CG 4.14Å; E547-F549 HydrophobicContact CB-CZ 3.57Å; E547-F549 HydrophobicContact CG-CD1 4.42Å; E547-F549 HydrophobicContact CG-CE1 3.62Å; E547-F549 HydrophobicContact CG-CE2 4.27Å; E547-F549 HydrophobicContact CG-CZ 3.53Å; E547-F549 PolarHBondContact O-N 2.89Å; F549-L551 PolarHBondContact O-N 3.42Å; F549-S552 WeakPolarHBondContact CA-OG 3.4Å; F549-E553 HydrophobicContact CB-CG 4.38Å; F549-E553 WeakPolarHBondContact O-CA 3.23Å; F549-E553 VanDerWaalsContact O-CB 3.29Å; F549-E553 WeakPolarHBondContact O-CB 3.47Å; F549-E553 PolarHBondContact O-N 3.36Å; F549-T554 PolarHBondContact O-N 2.94Å; F549-E580 VanDerWaalsContact CB-OE1 3.28Å; F549-E580 WeakPolarHBondContact CB-OE1 3.32Å
550F98.9Very high98.3Very high0 Ų013.9 Ų13.90%07%0.072CC..Iπ-helixtrans-61.6-37.6173.7174.8-107000111.8M137 L490 L521 Y531 M546 E547 S548 T554 C555M137-F550 HydrophobicContact CG-CE1 4.28Å; M137-F550 HydrophobicContact CG-CZ 3.74Å; M137-F550 HydrophobicContact SD-CE2 4.23Å; M137-F550 HydrophobicContact SD-CZ 3.72Å; L490-F550 HydrophobicContact CB-CB 4.03Å; L490-F550 HydrophobicContact CB-CD2 3.54Å; L490-F550 HydrophobicContact CB-CE2 4.34Å; L490-F550 HydrophobicContact CB-CG 4.02Å; L490-F550 HydrophobicContact CD1-CB 3.9Å; L490-F550 HydrophobicContact CD1-CD1 4.21Å; L490-F550 HydrophobicContact CD1-CD2 3.84Å; L490-F550 HydrophobicContact CD1-CE2 4.43Å; L490-F550 HydrophobicContact CD1-CG 3.67Å; L490-F550 HydrophobicContact CG-CD2 4.2Å; L490-F550 HydrophobicContact CG-CG 4.46Å; L521-F550 HydrophobicContact CD1-CE2 4.43Å; Y531-F550 HydrophobicContact CD1-CE1 4.43Å; Y531-F550 HydrophobicContact CD1-CZ 4.02Å; Y531-F550 HydrophobicContact CD2-CD1 4.23Å; Y531-F550 AromaticContact CD2-CE1 3.21Å; Y531-F550 HydrophobicContact CD2-CE1 3.21Å; Y531-F550 AromaticContact CD2-CZ 3.62Å; Y531-F550 HydrophobicContact CD2-CZ 3.62Å; Y531-F550 AromaticContact CE2-CE1 3.98Å; Y531-F550 HydrophobicContact CE2-CE1 3.98Å; Y531-F550 HydrophobicContact CE2-CZ 4.25Å; Y531-F550 HydrophobicContact CG-CD1 4.46Å; Y531-F550 AromaticContact CG-CE1 3.5Å; Y531-F550 HydrophobicContact CG-CE1 3.5Å; Y531-F550 AromaticContact CG-CZ 3.5Å; Y531-F550 HydrophobicContact CG-CZ 3.5Å; M546-F550 HydrophobicContact CG-CD1 4.08Å; M546-F550 HydrophobicContact SD-CD1 4.06Å; E547-F550 WeakPolarHBondContact O-CB 3.45Å; E547-F550 PolarHBondContact O-N 2.9Å; S548-F550 PolarHBondContact O-N 3.26Å; S548-F550 VanDerWaalsContact O-N 3.1Å; F550-T554 HydrophobicContact CD2-CG2 3.79Å; F550-T554 HydrophobicContact CE2-CG2 3.74Å; F550-C555 WeakPolarHBondContact O-CB 3.43Å; F550-C555 PolarHBondContact O-N 3.19Å; F550-C555 PolarHBondContact O-SG 3.22Å
551L98.8Very high98.4Very high0 Ų011.5 Ų11.50%06%0.061CC..Iπ-helixtrans-82.5-42.1177.6-63.5-172000111.9F138 T185 A189 M546 S548 F549F138-L551 HydrophobicContact CD2-CB 4.14Å; F138-L551 HydrophobicContact CD2-CD2 4.17Å; F138-L551 HydrophobicContact CE2-CB 3.95Å; T185-L551 HydrophobicContact CG2-CD1 3.72Å; A189-L551 HydrophobicContact CB-CB 4.39Å; M546-L551 HydrophobicContact CE-CD1 3.97Å; M546-L551 HydrophobicContact CE-CD2 4.46Å; M546-L551 HydrophobicContact CE-CG 4.21Å; S548-L551 PolarHBondContact O-N 3.48Å; F549-L551 PolarHBondContact O-N 3.42Å
552S98.4Very high98.4Very high0 Ų09.6 Ų9.60%05%0.048CC..Iπ-helixtrans-77.7-25.5-177.264.60000114.1D188 T192 S548 F549 K556D188-S552 VanDerWaalsContact CG-OG 3.3Å; D188-S552 WeakPolarHBondContact O-CB 3.44Å; D188-S552 WeakPolarHBondContact OD1-CB 3.45Å; D188-S552 PolarHBondContact OD1-OG 2.8Å; T192-S552 WeakPolarHBondContact OG1-CA 3.06Å; S548-S552 PolarHBondContact O-N 3.33Å; F549-S552 WeakPolarHBondContact CA-OG 3.4Å; S552-K556 WeakPolarHBondContact O-CB 3.43Å; S552-K556 VanDerWaalsContact O-CD 3.3Å; S552-K556 WeakPolarHBondContact O-CD 3.28Å; S552-K556 WeakPolarHBondContact O-CE 3.38Å; S552-K556 PolarHBondContact O-NZ 2.91Å
553E98.8Very high98.3Very high12 Ų128 Ų86%0.0564%0.037CC..Iπ-helixtrans-118.5-66.4-176.7-58.7-158.1-96.600113.2P492 F549 C555 K556 Y557 E580 G581P492-E553 HydrophobicContact CB-CB 3.48Å; P492-E553 VanDerWaalsContact CB-CB 3.48Å; P492-E553 HydrophobicContact CG-CB 3.85Å; P492-E553 HydrophobicContact CG-CG 4.43Å; P492-E553 WeakPolarHBondContact CG-OE1 3.24Å; F549-E553 HydrophobicContact CB-CG 4.38Å; F549-E553 WeakPolarHBondContact O-CA 3.23Å; F549-E553 VanDerWaalsContact O-CB 3.29Å; F549-E553 WeakPolarHBondContact O-CB 3.47Å; F549-E553 PolarHBondContact O-N 3.36Å; E553-C555 VanDerWaalsContact C-N 3.32Å; E553-C555 PolarHBondContact O-N 3.02Å; E553-K556 WeakPolarHBondContact O-CB 3.26Å; E553-K556 PolarHBondContact O-N 3.3Å; E553-Y557 HydrophobicContact CB-CD2 4.19Å; E553-Y557 HydrophobicContact CB-CE2 3.97Å; E553-Y557 HydrophobicContact CG-CE2 4.47Å; E553-Y557 WeakPolarHBondContact O-CD2 3.45Å; E553-Y557 PolarHBondContact O-N 3.14Å; E553-E580 WeakPolarHBondContact CG-O 2.96Å; E553-G581 PolarHBondContact OE2-N 3.36Å
554T98.8Very high98.1Very high0 Ų010.7 Ų10.70%05%0.05CC..Iπ-helixtrans-57.1-46.5-172.3-63.80000111.3L490 P492 V495 L521 F549 F550 L558L490-T554 PolarHBondContact O-OG1 3.45Å; P492-T554 VanDerWaalsContact CA-OG1 3.23Å; P492-T554 WeakPolarHBondContact CA-OG1 3.22Å; P492-T554 WeakPolarHBondContact CB-OG1 3.44Å; V495-T554 HydrophobicContact CG2-CG2 4.34Å; L521-T554 HydrophobicContact CD1-CG2 3.88Å; F549-T554 PolarHBondContact O-N 2.94Å; F550-T554 HydrophobicContact CD2-CG2 3.79Å; F550-T554 HydrophobicContact CE2-CG2 3.74Å; T554-L558 HydrophobicContact CG2-CD1 4.19Å; T554-L558 WeakPolarHBondContact O-CB 3.46Å; T554-L558 VanDerWaalsContact O-CG 3.28Å; T554-L558 WeakPolarHBondContact O-CG 3.27Å; T554-L558 PolarHBondContact O-N 3.09Å
555C98.9Very high97.8Very high0 Ų015.5 Ų15.50%08%0.076CC..Hα-helixtrans-66.9-40.2174.9-69.50000113.1F138 M196 F550 E553 Y559F138-C555 HydrophobicContact CB-CB 3.96Å; F138-C555 HydrophobicContact CD2-CB 3.98Å; F138-C555 HydrophobicContact CG-CB 4.47Å; M196-C555 HydrophobicContact CE-CB 4.44Å; F550-C555 WeakPolarHBondContact O-CB 3.43Å; F550-C555 PolarHBondContact O-N 3.19Å; F550-C555 PolarHBondContact O-SG 3.22Å; E553-C555 VanDerWaalsContact C-N 3.32Å; E553-C555 PolarHBondContact O-N 3.02Å; C555-Y559 VanDerWaalsContact O-CB 3.31Å; C555-Y559 WeakPolarHBondContact O-CB 3.07Å; C555-Y559 PolarHBondContact O-N 2.89Å
556K98.8Very high97.6Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-63.3-51.2-179.5-177.7-172.5-72.91520111.3D191 T192 V195 S552 E553 Y559 L560 F577 G581D191-K556 WeakPolarHBondContact OD1-CE 3.33Å; D191-K556 IonicContact OD1-NZ 3.8Å; D191-K556 PolarHBondContact OD1-NZ 2.85Å; D191-K556 WeakPolarHBondContact OD2-CE 3.43Å; D191-K556 IonicContact OD2-NZ 3.49Å; D191-K556 PolarHBondContact OD2-NZ 3.1Å; T192-K556 HydrophobicContact CG2-CB 4.04Å; T192-K556 HydrophobicContact CG2-CG 4.49Å; T192-K556 WeakPolarHBondContact OG1-CE 3.43Å; V195-K556 HydrophobicContact CG1-CG 4.3Å; S552-K556 WeakPolarHBondContact O-CB 3.43Å; S552-K556 VanDerWaalsContact O-CD 3.3Å; S552-K556 WeakPolarHBondContact O-CD 3.28Å; S552-K556 WeakPolarHBondContact O-CE 3.38Å; S552-K556 PolarHBondContact O-NZ 2.91Å; E553-K556 WeakPolarHBondContact O-CB 3.26Å; E553-K556 PolarHBondContact O-N 3.3Å; K556-Y559 PolarHBondContact O-N 2.88Å; K556-L560 HydrophobicContact CG-CD1 3.98Å; K556-L560 WeakPolarHBondContact O-CB 3.46Å; K556-L560 VanDerWaalsContact O-CG 3.3Å; K556-L560 WeakPolarHBondContact O-CG 3.36Å; K556-L560 PolarHBondContact O-N 2.94Å; K556-F577 HydrophobicContact CD-CE1 4.16Å; K556-G581 WeakPolarHBondContact CD-O 3.41Å; K556-G581 PolarHBondContact NZ-O 2.76Å
557Y98.8Very high97.3Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-67.7-37.7179.8-64.5-55.2000112.6E496 Y499 E553 L560 L561 F577 G581E496-Y557 HydrophobicContact CB-CD2 3.91Å; E496-Y557 HydrophobicContact CB-CE1 4.38Å; E496-Y557 HydrophobicContact CB-CE2 3.7Å; E496-Y557 HydrophobicContact CB-CG 4.33Å; E496-Y557 HydrophobicContact CG-CE1 3.98Å; E496-Y557 HydrophobicContact CG-CE2 3.96Å; Y499-Y557 AromaticContact CD1-CD1 3.75Å; Y499-Y557 HydrophobicContact CD1-CD1 3.75Å; Y499-Y557 HydrophobicContact CD1-CE1 4.24Å; Y499-Y557 HydrophobicContact CE1-CD1 4.33Å; Y499-Y557 HydrophobicContact CG-CD1 4.27Å; E553-Y557 HydrophobicContact CB-CD2 4.19Å; E553-Y557 HydrophobicContact CB-CE2 3.97Å; E553-Y557 HydrophobicContact CG-CE2 4.47Å; E553-Y557 WeakPolarHBondContact O-CD2 3.45Å; E553-Y557 PolarHBondContact O-N 3.14Å; Y557-L560 PolarHBondContact O-N 2.91Å; Y557-L561 VanDerWaalsContact O-CB 3.3Å; Y557-L561 WeakPolarHBondContact O-CB 3.32Å; Y557-L561 PolarHBondContact O-N 3.22Å; Y557-F577 AromaticContact CE1-CD1 3.79Å; Y557-F577 HydrophobicContact CE1-CD1 3.79Å; Y557-F577 HydrophobicContact CE1-CD2 4.33Å; Y557-F577 AromaticContact CE1-CE1 3.83Å; Y557-F577 HydrophobicContact CE1-CE1 3.83Å; Y557-F577 HydrophobicContact CE1-CE2 4.4Å; Y557-F577 HydrophobicContact CE1-CG 4.04Å; Y557-F577 HydrophobicContact CE1-CZ 4.15Å; Y557-G581 WeakPolarHBondContact OH-CA 3.29Å
558L98.8Very high97.1Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-61.7-44.6172.2-77.3171.7000111.4A134 M137 V495 I517 L518 L521 T554 F562A134-L558 HydrophobicContact CB-CB 4.03Å; M137-L558 HydrophobicContact SD-CD1 4.17Å; V495-L558 HydrophobicContact CG1-CB 4.42Å; V495-L558 HydrophobicContact CG1-CD2 3.78Å; V495-L558 HydrophobicContact CG1-CG 3.64Å; I517-L558 HydrophobicContact CB-CD2 4.47Å; I517-L558 HydrophobicContact CG2-CD1 4.41Å; I517-L558 HydrophobicContact CG2-CD2 4.06Å; L518-L558 HydrophobicContact CB-CD1 4.47Å; L518-L558 HydrophobicContact CB-CD2 4.28Å; L518-L558 HydrophobicContact CD1-CD1 3.85Å; L521-L558 HydrophobicContact CD1-CD1 3.87Å; T554-L558 HydrophobicContact CG2-CD1 4.19Å; T554-L558 WeakPolarHBondContact O-CB 3.46Å; T554-L558 VanDerWaalsContact O-CG 3.28Å; T554-L558 WeakPolarHBondContact O-CG 3.27Å; T554-L558 PolarHBondContact O-N 3.09Å; L558-F562 WeakPolarHBondContact O-CD2 3.38Å
559Y98.8Very high96.7Very high8 Ų817.4 Ų17.43%0.0319%0.088CC..Hα-helixtrans-61.3-51.3176.6178.7-95.4000111.9R131 R135 V195 M196 C555 K556 L561 F562 D563R131-Y559 HydrophobicContact CG-CD2 3.93Å; R131-Y559 HydrophobicContact CG-CE2 3.56Å; R135-Y559 HydrophobicContact CB-CD2 4Å; R135-Y559 HydrophobicContact CB-CE2 4.05Å; R135-Y559 HydrophobicContact CG-CE2 4.4Å; R135-Y559 PolarHBondContact NH2-OH 3.46Å; V195-Y559 HydrophobicContact CG1-CD1 4.15Å; V195-Y559 HydrophobicContact CG1-CE1 4.48Å; M196-Y559 HydrophobicContact CB-CE1 4.49Å; M196-Y559 HydrophobicContact CE-CD2 4.3Å; M196-Y559 HydrophobicContact CE-CG 3.94Å; M196-Y559 HydrophobicContact CG-CD1 3.93Å; M196-Y559 HydrophobicContact CG-CD2 4.22Å; M196-Y559 HydrophobicContact CG-CE1 4.14Å; M196-Y559 HydrophobicContact CG-CE2 4.41Å; M196-Y559 HydrophobicContact CG-CG 4Å; M196-Y559 HydrophobicContact SD-CD2 4.23Å; M196-Y559 HydrophobicContact SD-CG 4.29Å; C555-Y559 VanDerWaalsContact O-CB 3.31Å; C555-Y559 WeakPolarHBondContact O-CB 3.07Å; C555-Y559 PolarHBondContact O-N 2.89Å; K556-Y559 PolarHBondContact O-N 2.88Å; Y559-L561 VanDerWaalsContact C-N 3.32Å; Y559-L561 PolarHBondContact O-N 2.85Å; Y559-F562 PolarHBondContact O-N 3.38Å; Y559-F562 VanDerWaalsContact O-N 3.13Å; Y559-D563 HydrophobicContact CD1-CB 4.3Å; Y559-D563 HydrophobicContact CE1-CB 3.8Å; Y559-D563 VanDerWaalsContact CE1-OD2 3.27Å; Y559-D563 WeakPolarHBondContact CE1-OD2 3.26Å; Y559-D563 WeakPolarHBondContact O-CB 3.48Å; Y559-D563 PolarHBondContact O-N 3.42Å; Y559-D563 PolarHBondContact OH-OD2 3.02Å
560L98.4Very high95.9Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-62.9-31.7-179.8-75.6176.3000113.8V195 Y499 K556 Y557 F562 N566 V568 H569 F577V195-L560 HydrophobicContact CG1-CD1 4.25Å; V195-L560 HydrophobicContact CG1-CD2 3.62Å; V195-L560 HydrophobicContact CG1-CG 3.85Å; Y499-L560 HydrophobicContact CD2-CB 3.97Å; Y499-L560 HydrophobicContact CE2-CB 3.61Å; K556-L560 HydrophobicContact CG-CD1 3.98Å; K556-L560 WeakPolarHBondContact O-CB 3.46Å; K556-L560 VanDerWaalsContact O-CG 3.3Å; K556-L560 WeakPolarHBondContact O-CG 3.36Å; K556-L560 PolarHBondContact O-N 2.94Å; Y557-L560 PolarHBondContact O-N 2.91Å; L560-F562 VanDerWaalsContact C-N 3.28Å; L560-F562 PolarHBondContact O-N 3.44Å; L560-N566 HydrophobicContact CD2-CB 4.01Å; L560-N566 VanDerWaalsContact CD2-CG 3.45Å; L560-N566 WeakPolarHBondContact CD2-OD1 3.43Å; L560-V568 HydrophobicContact CD1-CG1 4.42Å; L560-V568 HydrophobicContact CD2-CB 4.01Å; L560-V568 HydrophobicContact CD2-CG1 4.45Å; L560-V568 HydrophobicContact CD2-CG2 3.99Å; L560-H569 WeakPolarHBondContact CB-NE2 3.44Å; L560-H569 WeakPolarHBondContact CD2-NE2 3.41Å; L560-H569 PolarHBondContact O-NE2 3.17Å; L560-F577 HydrophobicContact CD1-CE1 3.98Å; L560-F577 HydrophobicContact CD1-CZ 3.68Å
561L98.5Very high94Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-60.5-40.2173.9175.860.8000111.5R127 T498 Y499 Y502 L511 Y557 Y559R127-L561 PolarHBondContact NH2-O 3.35Å; T498-L561 HydrophobicContact CG2-CD2 3.86Å; Y499-L561 HydrophobicContact CD2-CB 4.37Å; Y502-L561 HydrophobicContact CD1-CD1 3.81Å; Y502-L561 HydrophobicContact CD2-CD1 4.44Å; Y502-L561 HydrophobicContact CG-CD1 3.64Å; L511-L561 HydrophobicContact CD2-CD1 3.78Å; L511-L561 HydrophobicContact CD2-CG 3.97Å; L511-L561 WeakPolarHBondContact CD2-O 3.5Å; Y557-L561 VanDerWaalsContact O-CB 3.3Å; Y557-L561 WeakPolarHBondContact O-CB 3.32Å; Y557-L561 PolarHBondContact O-N 3.22Å; Y559-L561 VanDerWaalsContact C-N 3.32Å; Y559-L561 PolarHBondContact O-N 2.85Å
562F98.3Very high91.8Very high3 Ų330.9 Ų30.91%0.01318%0.18CC..Hα-helixtrans-93.3-20.7-177.4-59.3-61.6000114.4F122 R127 M130 R131 L511 L518 L558 Y559 L560 E564F122-F562 HydrophobicContact CE1-CE1 4.47Å; F122-F562 HydrophobicContact CZ-CE1 4.21Å; R127-F562 HydrophobicContact CG-CB 4.27Å; R127-F562 HydrophobicContact CG-CD1 4.25Å; R127-F562 WeakPolarHBondContact CG-O 3.14Å; R127-F562 PolarHBondContact NE-O 2.94Å; M130-F562 HydrophobicContact CB-CD1 3.72Å; M130-F562 HydrophobicContact CB-CD2 3.62Å; M130-F562 HydrophobicContact CB-CE1 3.7Å; M130-F562 HydrophobicContact CB-CE2 3.64Å; M130-F562 HydrophobicContact CB-CG 3.69Å; M130-F562 HydrophobicContact CB-CZ 3.67Å; M130-F562 HydrophobicContact CG-CE1 4.16Å; M130-F562 HydrophobicContact CG-CZ 4.16Å; R131-F562 HydrophobicContact CB-CB 3.6Å; R131-F562 HydrophobicContact CG-CB 4.39Å; L511-F562 HydrophobicContact CB-CE1 4.26Å; L511-F562 HydrophobicContact CD2-CD1 3.95Å; L511-F562 HydrophobicContact CD2-CE1 4.09Å; L518-F562 HydrophobicContact CD2-CE2 4.2Å; L558-F562 WeakPolarHBondContact O-CD2 3.38Å; Y559-F562 PolarHBondContact O-N 3.38Å; Y559-F562 VanDerWaalsContact O-N 3.13Å; L560-F562 VanDerWaalsContact C-N 3.28Å; L560-F562 PolarHBondContact O-N 3.44Å; F562-E564 PolarHBondContact O-N 3.44Å
563D96.6Very high89.9Confident19 Ų1932.3 Ų32.310%0.10219%0.189CC..  trans-85.290.1-180-16330.6000113R131 Y559 D565 N566 H569R131-D563 VanDerWaalsContact CD-OD1 3.28Å; R131-D563 WeakPolarHBondContact CD-OD1 3.4Å; R131-D563 HydrophobicContact CG-CB 4.04Å; R131-D563 IonicContact NH1-OD1 3.7Å; Y559-D563 HydrophobicContact CD1-CB 4.3Å; Y559-D563 HydrophobicContact CE1-CB 3.8Å; Y559-D563 VanDerWaalsContact CE1-OD2 3.27Å; Y559-D563 WeakPolarHBondContact CE1-OD2 3.26Å; Y559-D563 WeakPolarHBondContact O-CB 3.48Å; Y559-D563 PolarHBondContact O-N 3.42Å; Y559-D563 PolarHBondContact OH-OD2 3.02Å; D563-D565 PolarHBondContact O-N 3.25Å; D563-N566 HydrophobicContact CB-CB 4.21Å; D563-N566 WeakPolarHBondContact O-CB 3.46Å; D563-N566 PolarHBondContact O-N 3.09Å; D563-N566 WeakPolarHBondContact OD2-CB 3.23Å; D563-N566 PolarHBondContact OD2-ND2 3.49Å; D563-H569 PolarHBondContact O-CD2 2.99Å
564E91.7Very high89Confident108 Ų10838.6 Ų38.651%0.50521%0.212SC..THydrogen-bonded Turntrans-62.6-37-170.8-168.1157.2-173.100114.9R127 F562 N566R127-E564 IonicContact CZ-OE2 3.36Å; R127-E564 IonicContact NH1-OE1 2.95Å; R127-E564 IonicContact NH1-OE2 2.98Å; R127-E564 PolarHBondContact NH1-OE2 3.35Å; F562-E564 PolarHBondContact O-N 3.44Å; E564-N566 VanDerWaalsContact C-N 3.33Å
565D91.3Very high88.6Confident124 Ų12440.4 Ų40.466%0.66322%0.219SC*.THydrogen-bonded Turntrans-92.810.1-173.5-66.5-60.9000113.3D563 K570D563-D565 PolarHBondContact O-N 3.25Å; D565-K570 WeakPolarHBondContact O-CE 3.2Å; D565-K570 PolarHBondContact O-NZ 2.93Å
566N94.6Very high88.3Confident4 Ų440.9 Ų40.92%0.02122%0.221CC..  trans-60.3138.7-175.7-161.7-81.8000111.6V195 L560 D563 E564 V568 H569V195-N566 PolarHBondContact O-ND2 2.93Å; L560-N566 HydrophobicContact CD2-CB 4.01Å; L560-N566 VanDerWaalsContact CD2-CG 3.45Å; L560-N566 WeakPolarHBondContact CD2-OD1 3.43Å; D563-N566 HydrophobicContact CB-CB 4.21Å; D563-N566 WeakPolarHBondContact O-CB 3.46Å; D563-N566 PolarHBondContact O-N 3.09Å; D563-N566 WeakPolarHBondContact OD2-CB 3.23Å; D563-N566 PolarHBondContact OD2-ND2 3.49Å; E564-N566 VanDerWaalsContact C-N 3.33Å; N566-V568 PolarHBondContact O-N 3.32Å; N566-V568 VanDerWaalsContact O-N 3.09Å; N566-V568 WeakPolarHBondContact OD1-CB 3.28Å; N566-V568 VanDerWaalsContact OD1-CG2 3.28Å; N566-V568 WeakPolarHBondContact OD1-CG2 3.33Å; N566-V568 PolarHBondContact OD1-N 2.85Å; N566-V568 VanDerWaalsContact OD1-N 3.11Å; N566-H569 PolarHBondContact O-N 3.03Å
567P92.4Very high88.2Confident22 Ų2241.5 Ų41.514%0.14322%0.224CC..G310 helixtrans-57.1-24.2178.7-23.832.5000114.8P247 F248 H569 K570 T573P247-P567 HydrophobicContact CB-CB 4.06Å; P247-P567 WeakPolarHBondContact O-CG 3.33Å; F248-P567 HydrophobicContact CD1-CB 4.17Å; F248-P567 HydrophobicContact CD1-CG 3.93Å; F248-P567 HydrophobicContact CE1-CB 3.96Å; F248-P567 HydrophobicContact CE1-CG 4.15Å; F248-P567 HydrophobicContact CZ-CB 4.46Å; P567-H569 VanDerWaalsContact C-N 3.25Å; P567-H569 PolarHBondContact O-N 2.79Å; P567-K570 PolarHBondContact O-N 3.26Å; P567-T573 PolarHBondContact O-OG1 3.36Å
568V92.8Very high88.2Confident14 Ų1441.6 Ų41.69%0.08523%0.225CC..G310 helixtrans-59.2-34.7174.9175.30000112.6F248 Y499 L560 N566 K570 Y575 F577 I583F248-V568 HydrophobicContact CE1-CG2 3.87Å; F248-V568 HydrophobicContact CZ-CG2 3.89Å; Y499-V568 WeakPolarHBondContact OH-CG1 3.45Å; L560-V568 HydrophobicContact CD1-CG1 4.42Å; L560-V568 HydrophobicContact CD2-CB 4.01Å; L560-V568 HydrophobicContact CD2-CG1 4.45Å; L560-V568 HydrophobicContact CD2-CG2 3.99Å; N566-V568 PolarHBondContact O-N 3.32Å; N566-V568 VanDerWaalsContact O-N 3.09Å; N566-V568 WeakPolarHBondContact OD1-CB 3.28Å; N566-V568 VanDerWaalsContact OD1-CG2 3.28Å; N566-V568 WeakPolarHBondContact OD1-CG2 3.33Å; N566-V568 PolarHBondContact OD1-N 2.85Å; N566-V568 VanDerWaalsContact OD1-N 3.11Å; V568-K570 VanDerWaalsContact C-N 3.34Å; V568-K570 PolarHBondContact O-N 2.91Å; V568-Y575 HydrophobicContact CG2-CD2 4.48Å; V568-F577 HydrophobicContact CG1-CE2 4.15Å; V568-F577 HydrophobicContact CG1-CZ 3.77Å; V568-I583 HydrophobicContact CG2-CD1 3.58Å
569H90.6Very high88.2Confident41 Ų4142.8 Ų42.819%0.1923%0.232CC..G310 helixtrans-84.7-7.9-173.4-51.1-26.1000113.9Y499 Q503 L560 D563 N566 P567Y499-H569 AromaticContact CE2-CE1 3.97Å; Y499-H569 AromaticContact CE2-ND1 3.99Å; Y499-H569 AromaticContact CE2-NE2 2.78Å; Y499-H569 WeakPolarHBondContact CE2-NE2 3.3Å; Y499-H569 AromaticContact CZ-CE1 3.62Å; Y499-H569 AromaticContact CZ-ND1 3.98Å; Y499-H569 AromaticContact CZ-NE2 3.04Å; Y499-H569 PolarHBondContact OH-CE1 3.41Å; Y499-H569 PolarHBondContact OH-ND1 3.11Å; Y499-H569 VanDerWaalsContact OH-ND1 3.08Å; Y499-H569 PolarHBondContact OH-NE2 2.88Å; Q503-H569 PolarHBondContact NE2-ND1 2.73Å; L560-H569 WeakPolarHBondContact CB-NE2 3.44Å; L560-H569 WeakPolarHBondContact CD2-NE2 3.41Å; L560-H569 PolarHBondContact O-NE2 3.17Å; D563-H569 PolarHBondContact O-CD2 2.99Å; N566-H569 PolarHBondContact O-N 3.03Å; P567-H569 VanDerWaalsContact C-N 3.25Å; P567-H569 PolarHBondContact O-N 2.79Å
570K80.9Confident88.2Confident108 Ų10842.8 Ų42.847%0.4723%0.232SC..  trans-85.2125.4-169-65.6178.6-172.51650109.7D565 P567 V568 G572 T573D565-K570 WeakPolarHBondContact O-CE 3.2Å; D565-K570 PolarHBondContact O-NZ 2.93Å; P567-K570 PolarHBondContact O-N 3.26Å; V568-K570 VanDerWaalsContact C-N 3.34Å; V568-K570 PolarHBondContact O-N 2.91Å; K570-G572 PolarHBondContact O-N 2.83Å; K570-T573 PolarHBondContact O-N 3.22Å; K570-T573 PolarHBondContact O-OG1 3.09Å
571S59.6Low88.1Confident124 Ų12442.8 Ų42.887%0.86723%0.232SC*.THydrogen-bonded Turntrans-60.2-15-172.851.30000115.4
572G52.9Low88.1Confident62 Ų6242.8 Ų42.864%0.63923%0.232SC*.THydrogen-bonded Turntrans-86.3-8.8176.700000116.1K570K570-G572 PolarHBondContact O-N 2.83Å
573T57.9Low88Confident29 Ų2942.8 Ų42.818%0.17823%0.232CC..THydrogen-bonded Turntrans-107.6-11.9-176.3500000114.3P247 P567 K570 Y575P247-T573 HydrophobicContact CB-CG2 4.41Å; P567-T573 PolarHBondContact O-OG1 3.36Å; K570-T573 PolarHBondContact O-N 3.22Å; K570-T573 PolarHBondContact O-OG1 3.09Å; T573-Y575 HydrophobicContact CG2-CE2 4.15Å; T573-Y575 PolarHBondContact O-N 2.76Å
574R79.3Confident87.8Confident144 Ų14442 Ų4254%0.54323%0.229SC..  trans3167.2175.7-61.2-160.9-52.9-155.3-0.2114.1V586R574-V586 HydrophobicContact CB-CB 4.13Å; R574-V586 PolarHBondContact NE-O 3.28Å; R574-V586 PolarHBondContact NH2-O 3.25Å; R574-V586 VanDerWaalsContact O-CB 3.29Å; R574-V586 WeakPolarHBondContact O-CB 3.4Å; R574-V586 VanDerWaalsContact O-CG2 3.31Å; R574-V586 WeakPolarHBondContact O-CG2 3.27Å; R574-V586 PolarHBondContact O-N 2.75Å
575Y91.3Very high87.8Confident38 Ų3837.3 Ų37.315%0.14921%0.207CC..EExtended strand (participates in β ladder)trans-83.2150.6171.9-68.6-68.7000112.3P247 F248 V568 T573 I583 V584P247-Y575 WeakPolarHBondContact CG-OH 3.41Å; F248-Y575 HydrophobicContact CE2-CE1 4.3Å; F248-Y575 HydrophobicContact CE2-CE2 4.2Å; F248-Y575 AromaticContact CE2-CZ 3.75Å; F248-Y575 AromaticContact CZ-CE2 3.94Å; F248-Y575 HydrophobicContact CZ-CE2 3.94Å; F248-Y575 AromaticContact CZ-CZ 3.95Å; V568-Y575 HydrophobicContact CG2-CD2 4.48Å; T573-Y575 HydrophobicContact CG2-CE2 4.15Å; T573-Y575 PolarHBondContact O-N 2.76Å; Y575-I583 HydrophobicContact CD1-CG2 3.23Å; Y575-I583 HydrophobicContact CE1-CG2 3.83Å; Y575-I583 HydrophobicContact CG-CG2 3.72Å; Y575-V584 WeakPolarHBondContact CA-O 3.17Å
576M92.6Very high87.7Confident10 Ų1032 Ų325%0.04918%0.18CC..EExtended strand (participates in β ladder)trans-128.9149.2169-168.4-168.577.700108.5V311 K378 I381 L382 V584 V586V311-M576 HydrophobicContact CG1-CE 4.41Å; K378-M576 HydrophobicContact CB-CE 3.72Å; K378-M576 HydrophobicContact CB-SD 3.68Å; K378-M576 HydrophobicContact CD-CE 4.1Å; K378-M576 HydrophobicContact CD-SD 4.19Å; K378-M576 HydrophobicContact CG-CE 4.09Å; K378-M576 HydrophobicContact CG-CG 4.47Å; K378-M576 HydrophobicContact CG-SD 3.71Å; I381-M576 HydrophobicContact CB-SD 4.12Å; I381-M576 HydrophobicContact CG2-SD 3.92Å; L382-M576 HydrophobicContact CD1-CE 3.49Å; L382-M576 VanDerWaalsContact CD1-CE 3.49Å; L382-M576 HydrophobicContact CD2-CE 3.97Å; L382-M576 HydrophobicContact CD2-SD 4.37Å; L382-M576 HydrophobicContact CG-CE 3.6Å; L382-M576 HydrophobicContact CG-SD 4.07Å; M576-V584 PolarHBondContact N-O 3.09Å; M576-V584 PolarHBondContact O-N 2.82Å; M576-V586 HydrophobicContact CB-CG2 3.79Å
577F96.9Very high87.2Confident14 Ų1433.6 Ų33.66%0.06119%0.188CC..EExtended strand (participates in β ladder)trans-95143.8172.8-63.1-86.6000110K378 Y499 K556 Y557 L560 V568 G581 H582 I583K378-F577 VanDerWaalsContact CD-O 3.23Å; K378-F577 WeakPolarHBondContact CD-O 3.33Å; K378-F577 WeakPolarHBondContact CE-O 3.33Å; K378-F577 PolarHBondContact NZ-O 2.89Å; Y499-F577 AromaticContact CE1-CE2 3.7Å; Y499-F577 HydrophobicContact CE1-CE2 3.7Å; Y499-F577 AromaticContact CE1-CZ 3.96Å; Y499-F577 HydrophobicContact CE1-CZ 3.96Å; K556-F577 HydrophobicContact CD-CE1 4.16Å; Y557-F577 AromaticContact CE1-CD1 3.79Å; Y557-F577 HydrophobicContact CE1-CD1 3.79Å; Y557-F577 HydrophobicContact CE1-CD2 4.33Å; Y557-F577 AromaticContact CE1-CE1 3.83Å; Y557-F577 HydrophobicContact CE1-CE1 3.83Å; Y557-F577 HydrophobicContact CE1-CE2 4.4Å; Y557-F577 HydrophobicContact CE1-CG 4.04Å; Y557-F577 HydrophobicContact CE1-CZ 4.15Å; L560-F577 HydrophobicContact CD1-CE1 3.98Å; L560-F577 HydrophobicContact CD1-CZ 3.68Å; V568-F577 HydrophobicContact CG1-CE2 4.15Å; V568-F577 HydrophobicContact CG1-CZ 3.77Å; F577-G581 WeakPolarHBondContact CD1-O 3.49Å; F577-H582 CarbonylContact C-O 3.58Å; F577-H582 VanDerWaalsContact CA-O 3.31Å; F577-H582 WeakPolarHBondContact CA-O 3.39Å; F577-I583 HydrophobicContact CD1-CG1 3.77Å; F577-I583 HydrophobicContact CE1-CD1 3.76Å; F577-I583 HydrophobicContact CE1-CG1 3.46Å; F577-I583 VanDerWaalsContact CE1-CG1 3.46Å; F577-I583 HydrophobicContact CZ-CD1 4.25Å; F577-I583 HydrophobicContact CZ-CG1 4.24Å
578T98.4Very high87Confident1 Ų139.6 Ų39.61%0.00621%0.214CC..  trans-69.2-172.5162.364.20000110.5V311 E312 K378 E580 G581 H582 V584V311-T578 HydrophobicContact CG1-CG2 4.02Å; E312-T578 WeakPolarHBondContact OE1-CG2 3.28Å; K378-T578 PolarHBondContact NZ-O 2.78Å; T578-E580 VanDerWaalsContact C-N 3.31Å; T578-E580 PolarHBondContact OG1-N 2.77Å; T578-G581 PolarHBondContact O-N 2.8Å; T578-H582 HydrophobicContact CG2-CB 4.16Å; T578-H582 PolarHBondContact N-O 2.88Å; T578-H582 WeakPolarHBondContact OG1-CB 3.38Å; T578-H582 PolarHBondContact OG1-N 3.43Å; T578-V584 HydrophobicContact CG2-CG2 4.05Å
579T98.2Very high86.6Confident26 Ų2642.1 Ų42.116%0.1623%0.225CC..THydrogen-bonded Turntrans-73-26.1172.9-161.40000112I228 S371 E374 Y375 G581I228-T579 HydrophobicContact CB-CG2 4.05Å; I228-T579 HydrophobicContact CD1-CG2 4.35Å; I228-T579 HydrophobicContact CG2-CG2 3.72Å; S371-T579 VanDerWaalsContact CB-OG1 3.27Å; S371-T579 WeakPolarHBondContact CB-OG1 3.37Å; E374-T579 WeakPolarHBondContact OE1-CA 3.39Å; E374-T579 VanDerWaalsContact OE1-CB 3.31Å; E374-T579 WeakPolarHBondContact OE1-CB 3.33Å; E374-T579 PolarHBondContact OE1-N 3.14Å; E374-T579 WeakPolarHBondContact OE2-CB 3.47Å; E374-T579 PolarHBondContact OE2-OG1 2.9Å; Y375-T579 HydrophobicContact CE1-CG2 3.97Å; Y375-T579 PolarHBondContact OH-N 2.71Å; T579-G581 VanDerWaalsContact C-N 3.26Å; T579-G581 PolarHBondContact O-N 3.37Å
580E98.6Very high86.7Confident8 Ų840.2 Ų40.24%0.03722%0.216CC..THydrogen-bonded Turntrans-92.525.7173.7-154.175.4-159.600112I228 R229 F549 E553 T578 H582I228-E580 HydrophobicContact CB-CB 4.12Å; I228-E580 WeakPolarHBondContact CD1-OE2 3.4Å; I228-E580 HydrophobicContact CG1-CB 4.28Å; I228-E580 HydrophobicContact CG1-CG 4.44Å; I228-E580 VanDerWaalsContact CG1-OE2 3.24Å; I228-E580 WeakPolarHBondContact CG1-OE2 3.45Å; R229-E580 HydrophobicContact CG-CG 4.01Å; R229-E580 IonicContact CZ-OE1 2.71Å; R229-E580 IonicContact CZ-OE2 3.79Å; R229-E580 IonicContact NE-OE1 2.74Å; R229-E580 IonicContact NH1-OE1 3.24Å; R229-E580 PolarHBondContact NH1-OE1 3.48Å; R229-E580 IonicContact NH2-OE1 3.4Å; R229-E580 PolarHBondContact NH2-OE1 3.2Å; R229-E580 IonicContact NH2-OE2 3.62Å; R229-E580 PolarHBondContact NH2-OE2 3.24Å; F549-E580 VanDerWaalsContact CB-OE1 3.28Å; F549-E580 WeakPolarHBondContact CB-OE1 3.32Å; E553-E580 WeakPolarHBondContact CG-O 2.96Å; T578-E580 VanDerWaalsContact C-N 3.31Å; T578-E580 PolarHBondContact OG1-N 2.77Å; E580-H582 PolarHBondContact O-N 3.38Å
581G97.7Very high87.2Confident0 Ų040.5 Ų40.50%021%0.214CC..  trans60.116.2177.400000116.8E553 K556 Y557 F577 T578 T579E553-G581 PolarHBondContact OE2-N 3.36Å; K556-G581 WeakPolarHBondContact CD-O 3.41Å; K556-G581 PolarHBondContact NZ-O 2.76Å; Y557-G581 WeakPolarHBondContact OH-CA 3.29Å; F577-G581 WeakPolarHBondContact CD1-O 3.49Å; T578-G581 PolarHBondContact O-N 2.8Å; T579-G581 VanDerWaalsContact C-N 3.26Å; T579-G581 PolarHBondContact O-N 3.37Å
582H98.5Very high88.5Confident0 Ų040.4 Ų40.40%020%0.2CC..  trans-76.2137.3176.5-62.3-51.8000111.8D188 D191 I228 R229 G232 S233 F577 T578 E580D188-H582 PolarHBondContact O-CE1 3.37Å; D188-H582 IonicContact OD1-CE1 2.69Å; D188-H582 PolarHBondContact OD1-CE1 2.86Å; D188-H582 IonicContact OD1-NE2 3.39Å; D191-H582 IonicContact OD1-ND1 3.28Å; D191-H582 PolarHBondContact OD1-ND1 2.88Å; D191-H582 WeakPolarHBondContact OD2-CA 3.31Å; I228-H582 PolarHBondContact O-CD2 3.47Å; I228-H582 PolarHBondContact O-NE2 2.91Å; R229-H582 PolarHBondContact O-NE2 3.48Å; R229-H582 VanDerWaalsContact O-NE2 3.12Å; G232-H582 VanDerWaalsContact C-CD2 3.48Å; S233-H582 PolarHBondContact N-CD2 3.27Å; S233-H582 VanDerWaalsContact N-CD2 3.29Å; S233-H582 PolarHBondContact N-NE2 3.44Å; F577-H582 CarbonylContact C-O 3.58Å; F577-H582 VanDerWaalsContact CA-O 3.31Å; F577-H582 WeakPolarHBondContact CA-O 3.39Å; T578-H582 HydrophobicContact CG2-CB 4.16Å; T578-H582 PolarHBondContact N-O 2.88Å; T578-H582 WeakPolarHBondContact OG1-CB 3.38Å; T578-H582 PolarHBondContact OG1-N 3.43Å; E580-H582 PolarHBondContact O-N 3.38Å
583I95.3Very high90.1Very high2 Ų239.5 Ų39.51%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-84.9127-174.7-67.4-177.3000112.1D191 V195 S236 V568 Y575 F577D191-I583 PolarHBondContact OD2-N 3.27Å; V195-I583 HydrophobicContact CG2-CD1 3.25Å; V195-I583 HydrophobicContact CG2-CG1 4.45Å; S236-I583 VanDerWaalsContact CB-O 3.3Å; S236-I583 WeakPolarHBondContact CB-O 3.3Å; S236-I583 PolarHBondContact OG-N 3.27Å; S236-I583 PolarHBondContact OG-O 2.99Å; V568-I583 HydrophobicContact CG2-CD1 3.58Å; Y575-I583 HydrophobicContact CD1-CG2 3.23Å; Y575-I583 HydrophobicContact CE1-CG2 3.83Å; Y575-I583 HydrophobicContact CG-CG2 3.72Å; F577-I583 HydrophobicContact CD1-CG1 3.77Å; F577-I583 HydrophobicContact CE1-CD1 3.76Å; F577-I583 HydrophobicContact CE1-CG1 3.46Å; F577-I583 VanDerWaalsContact CE1-CG1 3.46Å; F577-I583 HydrophobicContact CZ-CD1 4.25Å; F577-I583 HydrophobicContact CZ-CG1 4.24Å
584V92.7Very high91.2Very high4 Ų440.9 Ų40.92%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-126.1136.8175.7-175.30000109.6I315 L382 Y575 M576 T578 L590I315-V584 HydrophobicContact CD1-CB 4.34Å; I315-V584 HydrophobicContact CD1-CG1 3.68Å; I315-V584 HydrophobicContact CD1-CG2 3.79Å; I315-V584 HydrophobicContact CG1-CG1 4.31Å; L382-V584 HydrophobicContact CD2-CG1 4Å; Y575-V584 WeakPolarHBondContact CA-O 3.17Å; M576-V584 PolarHBondContact N-O 3.09Å; M576-V584 PolarHBondContact O-N 2.82Å; T578-V584 HydrophobicContact CG2-CG2 4.05Å; V584-L590 HydrophobicContact CG1-CD1 4.31Å
585S90.5Very high91.4Very high8 Ų835.6 Ų35.66%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-78128.7174.249.70000111.6D587S585-D587 VanDerWaalsContact C-N 3.25Å; S585-D587 WeakPolarHBondContact CB-OD2 3.44Å; S585-D587 PolarHBondContact O-N 3.16Å; S585-D587 PolarHBondContact OG-OD2 3.08Å
586V89.6Confident90.5Very high14 Ų1439.9 Ų39.99%0.08519%0.189CC..  trans-81.976.4175.1-172.90000109.5I381 L382 R574 M576I381-V586 HydrophobicContact CG2-CG1 4.16Å; I381-V586 HydrophobicContact CG2-CG2 4.04Å; I381-V586 WeakPolarHBondContact O-CG1 3.48Å; L382-V586 HydrophobicContact CD2-CG2 4.11Å; R574-V586 HydrophobicContact CB-CB 4.13Å; R574-V586 PolarHBondContact NE-O 3.28Å; R574-V586 PolarHBondContact NH2-O 3.25Å; R574-V586 VanDerWaalsContact O-CB 3.29Å; R574-V586 WeakPolarHBondContact O-CB 3.4Å; R574-V586 VanDerWaalsContact O-CG2 3.31Å; R574-V586 WeakPolarHBondContact O-CG2 3.27Å; R574-V586 PolarHBondContact O-N 2.75Å; M576-V586 HydrophobicContact CB-CG2 3.79Å
587D85.6Confident89Confident36 Ų3647 Ų4719%0.19322%0.223CC..  trans-88.2159.1-177.6-62.7-39.9000112.6R239 S585 H589R239-D587 IonicContact CZ-OD2 2.78Å; R239-D587 IonicContact NE-OD2 3.1Å; R239-D587 IonicContact NH2-OD2 2.88Å; R239-D587 PolarHBondContact NH2-OD2 3.29Å; S585-D587 VanDerWaalsContact C-N 3.25Å; S585-D587 WeakPolarHBondContact CB-OD2 3.44Å; S585-D587 PolarHBondContact O-N 3.16Å; S585-D587 PolarHBondContact OG-OD2 3.08Å; D587-H589 WeakPolarHBondContact CB-CD2 3.39Å; D587-H589 WeakPolarHBondContact CB-NE2 3.46Å; D587-H589 IonicContact OD2-CD2 2.62Å; D587-H589 IonicContact OD2-CE1 2.89Å; D587-H589 IonicContact OD2-NE2 3.27Å; D587-H589 PolarHBondContact OD2-NE2 2.86Å
588E86.1Confident87.1Confident149 Ų14954.4 Ų54.470%0.69626%0.255SS*.SBendtrans-71.5-32.6175.7-169.9160.3-155.600112.4L590 R591E588-L590 VanDerWaalsContact C-N 3.27Å; E588-L590 PolarHBondContact O-N 3.41Å; E588-R591 WeakPolarHBondContact O-CB 3.5Å; E588-R591 PolarHBondContact O-N 3.32Å
589H86.3Confident85.1Confident67 Ų6761.4 Ų61.431%0.3129%0.286SS..G310 helixtrans-60.8-32.2178.569.673.3000113.3R239 D587 R591 E592R239-H589 PolarHBondContact NH2-NE2 3Å; D587-H589 WeakPolarHBondContact CB-CD2 3.39Å; D587-H589 WeakPolarHBondContact CB-NE2 3.46Å; D587-H589 IonicContact OD2-CD2 2.62Å; D587-H589 IonicContact OD2-CE1 2.89Å; D587-H589 IonicContact OD2-NE2 3.27Å; D587-H589 PolarHBondContact OD2-NE2 2.86Å; H589-R591 PolarHBondContact O-N 3.01Å; H589-R591 VanDerWaalsContact O-N 3.14Å; H589-E592 WeakPolarHBondContact O-CB 3.41Å; H589-E592 PolarHBondContact O-N 3.4Å; H589-E592 VanDerWaalsContact O-N 3.1Å
590L91.2Very high82.7Confident1 Ų164.3 Ų64.31%0.00531%0.307CS..G310 helixtrans-67-14.2175.8-66.7-177.6000112.8I315 R318 L382 F383 V584 E588I315-L590 HydrophobicContact CG1-CD1 4.41Å; R318-L590 HydrophobicContact CB-CD2 3.86Å; R318-L590 HydrophobicContact CG-CD2 4.35Å; R318-L590 PolarHBondContact NH1-O 3.05Å; L382-L590 HydrophobicContact CD2-CD1 3.9Å; F383-L590 HydrophobicContact CD1-CB 4.35Å; F383-L590 WeakPolarHBondContact CD1-O 3.32Å; V584-L590 HydrophobicContact CG1-CD1 4.31Å; E588-L590 VanDerWaalsContact C-N 3.27Å; E588-L590 PolarHBondContact O-N 3.41Å
591R91.8Very high80.1Confident113 Ų11372.7 Ų72.743%0.42635%0.346SS..G310 helixtrans-93.6-16.2176.3-58.6-178.1168.7-152.5-8.6112.7R318 I381 L382 E588 H589R318-R591 PolarHBondContact NH1-O 2.96Å; I381-R591 PolarHBondContact O-NH2 2.79Å; L382-R591 WeakPolarHBondContact O-CG 3.44Å; L382-R591 PolarHBondContact O-NE 3.28Å; E588-R591 WeakPolarHBondContact O-CB 3.5Å; E588-R591 PolarHBondContact O-N 3.32Å; H589-R591 PolarHBondContact O-N 3.01Å; H589-R591 VanDerWaalsContact O-N 3.14Å
592E88.1Confident77.4Confident122 Ų12282 Ų8257%0.5739%0.39SS*.SBendtrans-76.4147.3172.1-60.9-179.4173.600109.7R318 H589 P594R318-E592 WeakPolarHBondContact CD-O 3.25Å; R318-E592 PolarHBondContact NH1-O 2.76Å; H589-E592 WeakPolarHBondContact O-CB 3.41Å; H589-E592 PolarHBondContact O-N 3.4Å; H589-E592 VanDerWaalsContact O-N 3.1Å; E592-P594 WeakPolarHBondContact O-CD 3.18Å
593L85.1Confident74.6Confident43 Ų4385.5 Ų85.523%0.22543%0.425CS..  trans-114.390.2179.5-77.1162.1000108.3R318 W595 K596R318-L593 VanDerWaalsContact NH2-CD2 3.32Å; L593-W595 HydrophobicContact CD2-CH2 4.35Å; L593-W595 HydrophobicContact CD2-CZ2 3.46Å; L593-W595 VanDerWaalsContact CD2-CZ2 3.46Å; L593-W595 PolarHBondContact O-N 2.97Å; L593-W595 VanDerWaalsContact O-N 3.1Å; L593-K596 HydrophobicContact CB-CB 3.84Å; L593-K596 HydrophobicContact CB-CD 4.24Å; L593-K596 HydrophobicContact CD1-CD 4Å; L593-K596 VanDerWaalsContact O-CB 3.23Å; L593-K596 WeakPolarHBondContact O-CB 3.37Å; L593-K596 PolarHBondContact O-N 3.3Å
594P81.2Confident71.6Confident58 Ų5889 Ų8938%0.37746%0.462SS..G310 helixtrans-55.5-32.2-174.1-27.834.7000114.1E592 K596E592-P594 WeakPolarHBondContact O-CD 3.18Å; P594-K596 VanDerWaalsContact C-N 3.34Å; P594-K596 PolarHBondContact O-N 3.17Å
595W83.6Confident68.9Low33 Ų3398.4 Ų98.413%0.12551%0.506CS..G310 helixtrans-81.3-4.8179.851.489.7000114.7S317 R318 E326 L593 E597 F598 F599S317-W595 WeakPolarHBondContact O-CZ3 3.33Å; R318-W595 HydrophobicContact CG-CH2 4.21Å; E326-W595 VanDerWaalsContact OE2-CH2 3.31Å; E326-W595 WeakPolarHBondContact OE2-CH2 3.4Å; E326-W595 WeakPolarHBondContact OE2-CZ2 3.48Å; L593-W595 HydrophobicContact CD2-CH2 4.35Å; L593-W595 HydrophobicContact CD2-CZ2 3.46Å; L593-W595 VanDerWaalsContact CD2-CZ2 3.46Å; L593-W595 PolarHBondContact O-N 2.97Å; L593-W595 VanDerWaalsContact O-N 3.1Å; W595-E597 VanDerWaalsContact C-N 3.32Å; W595-E597 PolarHBondContact O-N 3.25Å; W595-F598 PolarHBondContact O-N 2.91Å; W595-F599 HydrophobicContact CB-CD2 4.38Å; W595-F599 HydrophobicContact CB-CE2 4.06Å; W595-F599 AromaticContact CD1-CE2 3.95Å; W595-F599 HydrophobicContact CG-CE2 4.34Å; W595-F599 VanDerWaalsContact O-CD2 3.26Å; W595-F599 WeakPolarHBondContact O-CD2 3.39Å
596K72.7Confident66.2Low129 Ų129105.7 Ų105.756%0.56154%0.544SS*.G310 helixtrans-67.7-29.7-171.8-167.2171.4-173.2169.10113.8L593 P594 S600L593-K596 HydrophobicContact CB-CB 3.84Å; L593-K596 HydrophobicContact CB-CD 4.24Å; L593-K596 HydrophobicContact CD1-CD 4Å; L593-K596 VanDerWaalsContact O-CB 3.23Å; L593-K596 WeakPolarHBondContact O-CB 3.37Å; L593-K596 PolarHBondContact O-N 3.3Å; P594-K596 VanDerWaalsContact C-N 3.34Å; P594-K596 PolarHBondContact O-N 3.17Å; K596-S600 PolarHBondContact O-OG 2.8Å
597E60.8Low63.6Low160 Ų160113.8 Ų113.875%0.74858%0.581SS**THydrogen-bonded Turntrans-66.9-42.2176.9-59.9-168.9156.900111W595 F599 S600W595-E597 VanDerWaalsContact C-N 3.32Å; W595-E597 PolarHBondContact O-N 3.25Å; E597-F599 VanDerWaalsContact C-N 3.33Å; E597-F599 PolarHBondContact O-N 3.36Å; E597-S600 PolarHBondContact O-N 3.21Å; E597-S600 VanDerWaalsContact O-N 3.13Å
598F57.3Low60.9Low169 Ų169115.8 Ų115.874%0.74161%0.61SS**THydrogen-bonded Turntrans-63-33.1-179.6-64.1-87.5000114.1W595W595-F598 PolarHBondContact O-N 2.91Å
599F55.8Low58.6Low148 Ų148112.6 Ų112.665%0.64962%0.617SS**THydrogen-bonded Turntrans-87.91.5178.2-65-66.9000114.3W595 E597W595-F599 HydrophobicContact CB-CD2 4.38Å; W595-F599 HydrophobicContact CB-CE2 4.06Å; W595-F599 AromaticContact CD1-CE2 3.95Å; W595-F599 HydrophobicContact CG-CE2 4.34Å; W595-F599 VanDerWaalsContact O-CD2 3.26Å; W595-F599 WeakPolarHBondContact O-CD2 3.39Å; E597-F599 VanDerWaalsContact C-N 3.33Å; E597-F599 PolarHBondContact O-N 3.36Å
600S49.4Very low55.8Low87 Ų87118.9 Ų118.961%0.60864%0.643SS**SBendtrans-94.6-12.5-175.9-63.50000114.6K596 E597K596-S600 PolarHBondContact O-OG 2.8Å; E597-S600 PolarHBondContact O-N 3.21Å; E597-S600 VanDerWaalsContact O-N 3.13Å
601E43.4Very low53.1Low183 Ų183124.6 Ų124.686%0.85568%0.684SS**SBendtrans-97.6-22.5-174.3-62.5-157.6139.700115.1G603E601-G603 PolarHBondContact O-N 2.92Å
602E41.3Very low50.2Low197 Ų197125.4 Ų125.492%0.92170%0.701SS**SBendtrans-94.462.9177.3-66.3-160.7156.300112.4
603G38Very low47.3Very low72 Ų72128 Ų12874%0.74271%0.713SS**SBendtrans-157.332-165.600000119.4E601E601-G603 PolarHBondContact O-N 2.92Å
604G33.6Very low44.6Very low76 Ų76137.1 Ų137.178%0.78474%0.744SS**  trans110.2102.8158.200000117.4
605Q35.6Very low42.2Very low202 Ų202139.7 Ų139.794%0.94476%0.761SS**  trans-73.5115.7143.3-73.1-179-13.900108.4
606D33.8Very low39.8Very low160 Ų160147.1 Ų147.186%0.85679%0.794SS**  trans-149155.7147.5-146.4-9.9000112.2
607Q34.7Very low37.8Very low185 Ų185146.7 Ų146.786%0.86480%0.804SS**  trans-98.2163.8-162.3-55.1178.518.600113.3
608G29.6Very low36.4Very low77 Ų77147.7 Ų147.779%0.79481%0.809SS**  trans101.1101.5155.100000115.1
609G37.1Very low35.2Very low83 Ų83148.6 Ų148.686%0.85682%0.815SS**  trans-70.7139.2178.600000114
610K28.1Very low34.2Very low198 Ų198148.3 Ų148.386%0.86182%0.82SS**  trans-142.8124.2148.8-101.9172.2-175.11720109V612K610-V612 PolarHBondContact O-N 2.92Å
611S34.9Very low33.3Very low122 Ų122153.3 Ų153.385%0.85383%0.83SS**  trans-66.6100175.4177.60000109.9
612V29.7Very low33Very low130 Ų130150.4 Ų150.479%0.78883%0.825SS**  trans-91.1119.7166.1-179.90000107.5K610 R614K610-V612 PolarHBondContact O-N 2.92Å; V612-R614 PolarHBondContact O-N 3.05Å
613H28.4Very low32.8Very low177 Ų177146.6 Ų146.682%0.81981%0.81SS**  trans-65.6102.8-178.6-138.333.7000109.3P615H613-P615 WeakPolarHBondContact O-CD 3.32Å
614R28.1Very low32.5Very low234 Ų234149.7 Ų149.788%0.88381%0.809SS**PPolyproline II helixtrans-64119.6175-151177.6-164.3178.95.2107.3V612 K616V612-R614 PolarHBondContact O-N 3.05Å; R614-K616 PolarHBondContact O-N 2.75Å
615P30.1Very low32.7Very low111 Ų111150.3 Ų150.372%0.72180%0.802SS**PPolyproline II helixtrans-56.7138.7173-1829.2000108.3H613H613-P615 WeakPolarHBondContact O-CD 3.32Å
616K32.7Very low32.6Very low190 Ų190144.5 Ų144.583%0.82678%0.783SS**PPolyproline II helixtrans-54.4133.6170.9-71.8-177.2176.3-177.50107.7R614 H618R614-K616 PolarHBondContact O-N 2.75Å; K616-H618 PolarHBondContact O-N 3.3Å
617P30.3Very low32.7Very low120 Ų120142.1 Ų142.178%0.77978%0.779SS**PPolyproline II helixtrans-56.912817524.8-32.6000107.8E619P617-E619 PolarHBondContact O-N 2.84Å
618H32.7Very low32.8Very low181 Ų181137.9 Ų137.984%0.83876%0.762SS**PPolyproline II helixtrans-56.5127.5167.2-87.7-87.3000107.4K616 L620K616-H618 PolarHBondContact O-N 3.3Å; H618-L620 PolarHBondContact O-N 2.89Å
619E32.4Very low33.4Very low187 Ų187141 Ų14187%0.87477%0.77SS**  trans-58.5106.9170.1-71.3176.9151.400107.5P617 K621P617-E619 PolarHBondContact O-N 2.84Å; E619-K621 VanDerWaalsContact C-N 3.34Å; E619-K621 PolarHBondContact O-N 3.4Å
620L34.5Very low33.8Very low143 Ų143142.4 Ų142.475%0.74976%0.758SS**  trans-60.2101.3170.4-86155.3000106.9H618 V622H618-L620 PolarHBondContact O-N 2.89Å; L620-V622 VanDerWaalsContact C-N 3.26Å; L620-V622 PolarHBondContact O-N 3.1Å
621K29.7Very low35Very low191 Ų191141.1 Ų141.183%0.8375%0.748SS**  trans-61.799.2160.3-74.9-177.6175.8179.80106.5E619 I623E619-K621 VanDerWaalsContact C-N 3.34Å; E619-K621 PolarHBondContact O-N 3.4Å; K621-I623 PolarHBondContact O-N 3.45Å
622V36.4Very low36.2Very low123 Ų123136.8 Ų136.875%0.74572%0.716SS**  trans-39.2135.2150.7178.90000106.7L620 N624L620-V622 VanDerWaalsContact C-N 3.26Å; L620-V622 PolarHBondContact O-N 3.1Å; V622-N624 PolarHBondContact O-N 2.61Å
623I37.2Very low37.7Very low117 Ų117134.1 Ų134.160%0.670%0.702SS**  trans-49.8114.7179.9-66.4173.4000107K621 S625K621-I623 PolarHBondContact O-N 3.45Å; I623-S625 PolarHBondContact O-N 2.96Å; I623-S625 PolarHBondContact O-OG 3.19Å
624N33.6Very low39.3Very low136 Ų136129.6 Ų129.673%0.72768%0.684SS**  trans-83.255.5-167.9-16146.3000109.6V622 S626V622-N624 PolarHBondContact O-N 2.61Å; N624-S626 PolarHBondContact O-N 3.27Å
625S36.3Very low40.9Very low90 Ų90126.8 Ų126.863%0.62968%0.68SS**SBendtrans-52.4131142.358.40000105.4I623 S627I623-S625 PolarHBondContact O-N 2.96Å; I623-S625 PolarHBondContact O-OG 3.19Å; S625-S627 PolarHBondContact O-N 3.32Å
626S34Very low42.7Very low80 Ų80125.3 Ų125.356%0.55966%0.661SS**  trans-44.8136.5-168.854.60000111.2N624 N628N624-S626 PolarHBondContact O-N 3.27Å; S626-N628 PolarHBondContact O-N 2.87Å
627S36Very low44.7Very low109 Ų109118.8 Ų118.876%0.76263%0.631SS**SBendtrans-67.952177.760.30000112.6S625S625-S627 PolarHBondContact O-N 3.32Å
628N36.9Very low46.8Very low96 Ų96118.6 Ų118.651%0.51362%0.615SS.*  trans-11569.4-178-75-8.2000106.8S626 N630S626-N628 PolarHBondContact O-N 2.87Å; N628-N630 HydrophobicContact CB-CB 4.16Å; N628-N630 VanDerWaalsContact CG-ND2 3.28Å; N628-N630 PolarHBondContact O-N 3.41Å; N628-N630 PolarHBondContact OD1-ND2 3.36Å
629C41.7Very low49.2Very low142 Ų142112.4 Ų112.496%0.95959%0.592SS**  trans-64.727143.4-63.80000111.2
630N45.7Very low51.7Low114 Ų114104.2 Ų104.261%0.6156%0.555SS**  trans-73.9127.1172.8-68.1-20.6000106N628 V632N628-N630 HydrophobicContact CB-CB 4.16Å; N628-N630 VanDerWaalsContact CG-ND2 3.28Å; N628-N630 PolarHBondContact O-N 3.41Å; N628-N630 PolarHBondContact OD1-ND2 3.36Å; N630-V632 PolarHBondContact O-N 3.06Å
631R54.3Low54.3Low171 Ų17197.8 Ų97.865%0.64552%0.521SS*.  trans-39.6129.3166.7168.5172.9163.3174.4-9.8109.9D634R631-D634 IonicContact CZ-OD1 3.14Å; R631-D634 IonicContact CZ-OD2 3.73Å; R631-D634 IonicContact NE-OD1 3.91Å; R631-D634 PolarHBondContact NE-OD1 3.09Å; R631-D634 IonicContact NH2-OD1 3.82Å; R631-D634 PolarHBondContact NH2-OD1 3.06Å; R631-D634 IonicContact NH2-OD2 3.67Å; R631-D634 PolarHBondContact NH2-OD2 3.34Å
632V58.5Low57.2Low30 Ų3088.7 Ų88.718%0.18248%0.482CS..  trans-44.6126.7174.9175.30000108.4T505 N630 D634 R636T505-V632 HydrophobicContact CG2-CG2 4.44Å; N630-V632 PolarHBondContact O-N 3.06Å; V632-D634 PolarHBondContact O-N 3.03Å; V632-R636 HydrophobicContact CG1-CB 3.77Å
633P62Low59.9Low75 Ų7588 Ų8849%0.48747%0.469SS..  trans-51.1135.1-174.2-29.334.8000111.2E635 R636 R637P633-E635 PolarHBondContact O-N 2.88Å; P633-R636 WeakPolarHBondContact O-CA 3.46Å; P633-R636 PolarHBondContact O-N 3.12Å; P633-R637 PolarHBondContact O-N 3.05Å
634D62.7Low62.5Low82 Ų8282.9 Ų82.944%0.43944%0.443SS..Hα-helixtrans-59.3-21.5-173.4-76.8-40.9000112.8R631 V632 R637 Y638R631-D634 IonicContact CZ-OD1 3.14Å; R631-D634 IonicContact CZ-OD2 3.73Å; R631-D634 IonicContact NE-OD1 3.91Å; R631-D634 PolarHBondContact NE-OD1 3.09Å; R631-D634 IonicContact NH2-OD1 3.82Å; R631-D634 PolarHBondContact NH2-OD1 3.06Å; R631-D634 IonicContact NH2-OD2 3.67Å; R631-D634 PolarHBondContact NH2-OD2 3.34Å; V632-D634 PolarHBondContact O-N 3.03Å; D634-R637 VanDerWaalsContact O-CB 3.29Å; D634-R637 WeakPolarHBondContact O-CB 3.39Å; D634-R637 PolarHBondContact O-N 2.99Å; D634-Y638 WeakPolarHBondContact O-CD2 3.38Å
635E61.2Low65.3Low174 Ų17481.4 Ų81.481%0.81343%0.434SS*.Hα-helixtrans-62-42.4169.6-62173.7178.400112.7P633 R637 S639P633-E635 PolarHBondContact O-N 2.88Å; E635-R637 VanDerWaalsContact C-N 3.26Å; E635-R637 PolarHBondContact O-N 3.44Å; E635-S639 PolarHBondContact O-N 3.08Å
636R68.7Low68.1Low81 Ų8178.2 Ų78.231%0.30641%0.409SS..Hα-helixtrans-76.1-11.1176-71-170.471.2-173.64.2113.5E453 N507 V632 P633 Y638E453-R636 VanDerWaalsContact CD-NH2 3.3Å; E453-R636 IonicContact OE1-CZ 3.33Å; E453-R636 IonicContact OE1-NH1 2.89Å; E453-R636 PolarHBondContact OE1-NH1 3.44Å; E453-R636 IonicContact OE1-NH2 3.52Å; E453-R636 PolarHBondContact OE1-NH2 3.2Å; E453-R636 IonicContact OE2-CZ 3.86Å; E453-R636 IonicContact OE2-NH1 3.86Å; E453-R636 IonicContact OE2-NH2 3.43Å; E453-R636 PolarHBondContact OE2-NH2 3.49Å; N507-R636 PolarHBondContact ND2-O 3.01Å; V632-R636 HydrophobicContact CG1-CB 3.77Å; P633-R636 WeakPolarHBondContact O-CA 3.46Å; P633-R636 PolarHBondContact O-N 3.12Å; R636-Y638 VanDerWaalsContact C-N 3.32Å
637R73.6Confident70.9Confident52 Ų5275 Ų7520%0.19639%0.385CS..Hα-helixtrans-71-28.2176.8-170.8175.7175.1179.1-3.7112.4K506 N507 P508 P633 D634 E635K506-R637 HydrophobicContact CB-CG 4.37Å; K506-R637 VanDerWaalsContact CB-NE 3.32Å; K506-R637 WeakPolarHBondContact O-CG 3.31Å; K506-R637 PolarHBondContact O-NE 3.42Å; N507-R637 WeakPolarHBondContact CA-O 3.47Å; N507-R637 PolarHBondContact ND2-O 3.46Å; P508-R637 WeakPolarHBondContact CD-O 3.48Å; P633-R637 PolarHBondContact O-N 3.05Å; D634-R637 VanDerWaalsContact O-CB 3.29Å; D634-R637 WeakPolarHBondContact O-CB 3.39Å; D634-R637 PolarHBondContact O-N 2.99Å; E635-R637 VanDerWaalsContact C-N 3.26Å; E635-R637 PolarHBondContact O-N 3.44Å
638Y74.9Confident73.6Confident117 Ų11774.8 Ų74.846%0.45937%0.367SS..Hα-helixtrans-116.8-7.5-176.8-55.8-75.7000113.9P508 D634 R636P508-Y638 HydrophobicContact CG-CD1 4.2Å; P508-Y638 HydrophobicContact CG-CE1 4.44Å; D634-Y638 WeakPolarHBondContact O-CD2 3.38Å; R636-Y638 VanDerWaalsContact C-N 3.32Å
639S82Confident76.4Confident51 Ų5172.6 Ų72.636%0.35735%0.354SS..SBendtrans-72.9166.9164.873.10000111N507 E635N507-S639 PolarHBondContact ND2-O 2.91Å; E635-S639 PolarHBondContact O-N 3.08Å
640L85.8Confident78.9Confident15 Ų1566 Ų668%0.07931%0.309CS..  trans-58.6142162.5-62.9173.9000110E115 Y118 L642 S644 M647E115-L640 HydrophobicContact CG-CD1 3.77Å; E115-L640 HydrophobicContact CG-CG 4.29Å; Y118-L640 HydrophobicContact CD2-CD2 4.33Å; L640-L642 VanDerWaalsContact CB-O 3.24Å; L640-L642 WeakPolarHBondContact CB-O 3.38Å; L640-L642 PolarHBondContact O-N 3.46Å; L640-S644 WeakPolarHBondContact CD1-OG 3.45Å; L640-M647 HydrophobicContact CB-CE 4.14Å; L640-M647 HydrophobicContact CD1-SD 4.21Å; L640-M647 HydrophobicContact CD2-CE 4.21Å; L640-M647 HydrophobicContact CD2-SD 4.42Å
641P89.7Confident81.3Confident7 Ų761.4 Ų61.45%0.04529%0.285CS..SBendtrans-60.4-34.7173-25.434.8000112.7N411 I456 F509 Y510N411-P641 PolarHBondContact ND2-O 3.4Å; I456-P641 HydrophobicContact CD1-CB 4.41Å; I456-P641 HydrophobicContact CG1-CB 4.28Å; I456-P641 HydrophobicContact CG2-CB 3.71Å; F509-P641 HydrophobicContact CB-CG 3.77Å; F509-P641 HydrophobicContact CD1-CG 3.8Å; F509-P641 HydrophobicContact CG-CG 3.8Å; Y510-P641 HydrophobicContact CE2-CG 4.16Å
642L90.9Very high83.2Confident1 Ų158.6 Ų58.61%0.00528%0.279CS..SBendtrans-125.7135.4-178.7-175.966.9000108.9N411 I456 A460 L640 Y646 M647 I650N411-L642 HydrophobicContact CB-CD1 3.99Å; I456-L642 HydrophobicContact CG2-CB 4.29Å; A460-L642 HydrophobicContact CB-CD2 4.27Å; L640-L642 VanDerWaalsContact CB-O 3.24Å; L640-L642 WeakPolarHBondContact CB-O 3.38Å; L640-L642 PolarHBondContact O-N 3.46Å; L642-Y646 HydrophobicContact CD1-CD2 4.34Å; L642-Y646 HydrophobicContact CD1-CG 4.3Å; L642-M647 HydrophobicContact CB-CE 3.99Å; L642-M647 HydrophobicContact CB-CG 4.03Å; L642-M647 HydrophobicContact CD2-CG 3.93Å; L642-M647 HydrophobicContact CG-CG 4.11Å; L642-M647 WeakPolarHBondContact O-CE 3.42Å; L642-I650 HydrophobicContact CD2-CD1 3.58Å
643K91.4Very high84.9Confident108 Ų10858.8 Ų58.847%0.4728%0.278SS..  trans-60.3141.6177.8-65.1155.6-172.71620109.5N411 I645 Y646 M647N411-K643 WeakPolarHBondContact O-CE 3.5Å; N411-K643 PolarHBondContact O-NZ 3.48Å; N411-K643 WeakPolarHBondContact OD1-CB 3.18Å; N411-K643 WeakPolarHBondContact OD1-CD 3.32Å; N411-K643 WeakPolarHBondContact OD1-CG 3.23Å; N411-K643 PolarHBondContact OD1-N 2.99Å; K643-I645 HydrophobicContact CB-CG2 4.25Å; K643-I645 PolarHBondContact O-N 2.9Å; K643-Y646 HydrophobicContact CB-CD2 4Å; K643-Y646 HydrophobicContact CB-CE2 4.49Å; K643-Y646 HydrophobicContact CD-CD2 4.25Å; K643-Y646 HydrophobicContact CD-CE2 3.98Å; K643-Y646 PolarHBondContact O-N 3.35Å; K643-M647 PolarHBondContact O-N 2.87Å; K643-M647 VanDerWaalsContact O-N 3.16Å
644S92.3Very high86.4Confident10 Ų1055.2 Ų55.27%0.0726%0.255CS..Hα-helixtrans-57.8-23-173.6-47.90000115.5D112 L640 R648D112-S644 VanDerWaalsContact CG-OG 3.31Å; D112-S644 WeakPolarHBondContact OD1-CB 3.42Å; D112-S644 PolarHBondContact OD1-OG 3.32Å; D112-S644 WeakPolarHBondContact OD2-CB 3.3Å; D112-S644 PolarHBondContact OD2-OG 3.26Å; D112-S644 VanDerWaalsContact OD2-OG 3.05Å; L640-S644 WeakPolarHBondContact CD1-OG 3.45Å; S644-R648 WeakPolarHBondContact O-CG 3.28Å; S644-R648 PolarHBondContact O-N 3Å; S644-R648 PolarHBondContact O-NE 2.99Å
645I92.5Very high87.8Confident104 Ų10452.2 Ų52.253%0.53324%0.244SC..Hα-helixtrans-65-41.4172.2-171169.1000111.8K643 R648 Q649K643-I645 HydrophobicContact CB-CG2 4.25Å; K643-I645 PolarHBondContact O-N 2.9Å; I645-R648 PolarHBondContact O-N 2.93Å; I645-Q649 WeakPolarHBondContact O-CG 3.36Å; I645-Q649 PolarHBondContact O-N 3.47Å; I645-Q649 VanDerWaalsContact O-N 3.09Å
646Y94.3Very high89.2Confident24 Ų2446.7 Ų46.79%0.09422%0.22CC..Hα-helixtrans-78.2-31.5178.7-61.2-60.8000111.7R407 N411 E412 G413 L642 K643 Q649 I650R407-Y646 VanDerWaalsContact CZ-CD1 3.45Å; N411-Y646 VanDerWaalsContact O-CE2 3.23Å; N411-Y646 WeakPolarHBondContact O-CE2 3.45Å; E412-Y646 VanDerWaalsContact C-OH 3.27Å; E412-Y646 VanDerWaalsContact CA-OH 3.26Å; E412-Y646 WeakPolarHBondContact CA-OH 3.27Å; G413-Y646 PolarHBondContact N-OH 2.93Å; G413-Y646 PolarHBondContact O-OH 3.24Å; L642-Y646 HydrophobicContact CD1-CD2 4.34Å; L642-Y646 HydrophobicContact CD1-CG 4.3Å; K643-Y646 HydrophobicContact CB-CD2 4Å; K643-Y646 HydrophobicContact CB-CE2 4.49Å; K643-Y646 HydrophobicContact CD-CD2 4.25Å; K643-Y646 HydrophobicContact CD-CE2 3.98Å; K643-Y646 PolarHBondContact O-N 3.35Å; Y646-Q649 PolarHBondContact O-N 3.03Å; Y646-I650 WeakPolarHBondContact O-CG1 3.29Å; Y646-I650 PolarHBondContact O-N 2.93Å; Y646-I650 VanDerWaalsContact O-N 3.09Å
647M93.8Very high90Very high11 Ų1149.5 Ų49.55%0.05424%0.239CC..Hα-helixtrans-59.8-46.6167.6-68.6-172.3165.500111.2Y114 F509 L640 L642 K643 Q649 I650 D651Y114-M647 HydrophobicContact CD1-CB 3.94Å; Y114-M647 HydrophobicContact CD1-CG 4.36Å; Y114-M647 HydrophobicContact CD1-SD 3.49Å; Y114-M647 WeakPolarHBondContact CD1-SD 3.41Å; Y114-M647 HydrophobicContact CE1-CB 3.78Å; Y114-M647 HydrophobicContact CE1-SD 4.24Å; Y114-M647 HydrophobicContact CG-CB 4.4Å; Y114-M647 HydrophobicContact CG-SD 3.85Å; F509-M647 HydrophobicContact CD2-CE 4.24Å; F509-M647 HydrophobicContact CE2-CE 3.78Å; F509-M647 HydrophobicContact CZ-CE 4.24Å; L640-M647 HydrophobicContact CB-CE 4.14Å; L640-M647 HydrophobicContact CD1-SD 4.21Å; L640-M647 HydrophobicContact CD2-CE 4.21Å; L640-M647 HydrophobicContact CD2-SD 4.42Å; L642-M647 HydrophobicContact CB-CE 3.99Å; L642-M647 HydrophobicContact CB-CG 4.03Å; L642-M647 HydrophobicContact CD2-CG 3.93Å; L642-M647 HydrophobicContact CG-CG 4.11Å; L642-M647 WeakPolarHBondContact O-CE 3.42Å; K643-M647 PolarHBondContact O-N 2.87Å; K643-M647 VanDerWaalsContact O-N 3.16Å; M647-Q649 VanDerWaalsContact C-N 3.35Å; M647-Q649 PolarHBondContact O-N 3.37Å; M647-I650 WeakPolarHBondContact O-CB 3.41Å; M647-I650 PolarHBondContact O-N 3.45Å; M647-I650 VanDerWaalsContact O-N 3.16Å; M647-D651 PolarHBondContact O-N 2.96Å
648R93.6Very high90.8Very high105 Ų10549.4 Ų49.440%0.39624%0.241SC..Hα-helixtrans-63.2-36.2176.4-73.9-178.9-121.9179.8-0.6113.7D112 Y114 S644 I645 I650 D651 Q652 I657D112-R648 IonicContact OD2-CZ 3Å; D112-R648 IonicContact OD2-NH2 3.11Å; D112-R648 PolarHBondContact OD2-NH2 3.26Å; Y114-R648 HydrophobicContact CE2-CG 3.51Å; Y114-R648 WeakPolarHBondContact OH-CG 3.41Å; S644-R648 WeakPolarHBondContact O-CG 3.28Å; S644-R648 PolarHBondContact O-N 3Å; S644-R648 PolarHBondContact O-NE 2.99Å; I645-R648 PolarHBondContact O-N 2.93Å; R648-I650 VanDerWaalsContact C-N 3.34Å; R648-D651 PolarHBondContact O-N 3.46Å; R648-Q652 WeakPolarHBondContact O-CB 3.43Å; R648-Q652 VanDerWaalsContact O-CG 3.31Å; R648-Q652 WeakPolarHBondContact O-CG 3.36Å; R648-Q652 PolarHBondContact O-N 3.42Å; R648-I657 HydrophobicContact CB-CD1 4.36Å; R648-I657 HydrophobicContact CG-CD1 4.39Å
649Q94.2Very high91.7Very high51 Ų5145.8 Ų45.824%0.23823%0.23CC..Hα-helixtrans-63.3-40.6173.4-75.5177-3.500111.9P417 I645 Y646 M647 Q652 M653P417-Q649 HydrophobicContact CG-CB 4.14Å; I645-Q649 WeakPolarHBondContact O-CG 3.36Å; I645-Q649 PolarHBondContact O-N 3.47Å; I645-Q649 VanDerWaalsContact O-N 3.09Å; Y646-Q649 PolarHBondContact O-N 3.03Å; M647-Q649 VanDerWaalsContact C-N 3.35Å; M647-Q649 PolarHBondContact O-N 3.37Å; Q649-Q652 PolarHBondContact O-N 2.99Å; Q649-M653 VanDerWaalsContact O-CB 3.32Å; Q649-M653 WeakPolarHBondContact O-CB 3.4Å; Q649-M653 PolarHBondContact O-N 2.88Å
650I95.3Very high92.2Very high2 Ų245.6 Ų45.61%0.0122%0.223CC..Hα-helixtrans-64.2-47.6174.7-70.3173.6000110.2P417 A460 F461 A464 L642 Y646 M647 R648 Q652 M653 V654P417-I650 HydrophobicContact CB-CG1 3.8Å; P417-I650 HydrophobicContact CG-CG1 3.78Å; A460-I650 HydrophobicContact CB-CD1 3.76Å; F461-I650 HydrophobicContact CB-CG2 4.38Å; F461-I650 HydrophobicContact CD2-CG2 4.35Å; A464-I650 HydrophobicContact CB-CG2 3.62Å; L642-I650 HydrophobicContact CD2-CD1 3.58Å; Y646-I650 WeakPolarHBondContact O-CG1 3.29Å; Y646-I650 PolarHBondContact O-N 2.93Å; Y646-I650 VanDerWaalsContact O-N 3.09Å; M647-I650 WeakPolarHBondContact O-CB 3.41Å; M647-I650 PolarHBondContact O-N 3.45Å; M647-I650 VanDerWaalsContact O-N 3.16Å; R648-I650 VanDerWaalsContact C-N 3.34Å; I650-Q652 VanDerWaalsContact C-N 3.29Å; I650-Q652 PolarHBondContact O-N 3.3Å; I650-M653 WeakPolarHBondContact O-CB 3.39Å; I650-M653 PolarHBondContact O-N 3.35Å; I650-V654 WeakPolarHBondContact O-CG2 3.31Å; I650-V654 PolarHBondContact O-N 3.21Å
651D95.2Very high92.6Very high19 Ų1947.4 Ų47.410%0.10223%0.231CC..Hα-helixtrans-59.2-39.4178.3-71.2-7.1000112Y114 A464 M647 R648 G655 L656 I657Y114-D651 WeakPolarHBondContact CE1-OD2 3.24Å; Y114-D651 PolarHBondContact OH-OD2 3.48Å; A464-D651 WeakPolarHBondContact CB-OD1 3.36Å; M647-D651 PolarHBondContact O-N 2.96Å; R648-D651 PolarHBondContact O-N 3.46Å; D651-G655 PolarHBondContact O-N 2.88Å; D651-L656 HydrophobicContact CB-CB 4.2Å; D651-L656 HydrophobicContact CB-CD2 4.23Å; D651-L656 WeakPolarHBondContact O-CB 3.44Å; D651-L656 PolarHBondContact O-N 3.46Å; D651-I657 HydrophobicContact CB-CD1 3.88Å; D651-I657 HydrophobicContact CB-CG1 3.94Å; D651-I657 HydrophobicContact CB-CG2 4.47Å
652Q94.6Very high92.8Very high112 Ų11249.9 Ų49.952%0.52324%0.243SC..Hα-helixtrans-64.9-44.2171.1-75.4174.1-21.400112.4Q481 R648 Q649 I650 V654 G655 I657Q481-Q652 PolarHBondContact NE2-O 2.98Å; R648-Q652 WeakPolarHBondContact O-CB 3.43Å; R648-Q652 VanDerWaalsContact O-CG 3.31Å; R648-Q652 WeakPolarHBondContact O-CG 3.36Å; R648-Q652 PolarHBondContact O-N 3.42Å; Q649-Q652 PolarHBondContact O-N 2.99Å; I650-Q652 VanDerWaalsContact C-N 3.29Å; I650-Q652 PolarHBondContact O-N 3.3Å; Q652-V654 VanDerWaalsContact C-N 3.27Å; Q652-V654 PolarHBondContact O-N 3.04Å; Q652-G655 PolarHBondContact O-N 3.38Å; Q652-I657 HydrophobicContact CG-CD1 3.96Å; Q652-I657 HydrophobicContact CG-CG1 3.73Å
653M93.4Very high92.9Very high33 Ų3353.1 Ų53.116%0.16326%0.259CS..Hα-helixtrans-63-32.9179.4-172.3-179.2177.400112.1P417 L419 F461 W478 Q481 Q649 I650P417-M653 HydrophobicContact CB-SD 3.86Å; P417-M653 HydrophobicContact CG-SD 3.76Å; L419-M653 HydrophobicContact CB-CE 4.44Å; L419-M653 HydrophobicContact CD2-CE 3.84Å; F461-M653 HydrophobicContact CD2-SD 4.14Å; F461-M653 HydrophobicContact CE2-CE 3.89Å; F461-M653 HydrophobicContact CE2-CG 4.01Å; F461-M653 HydrophobicContact CE2-SD 3.69Å; W478-M653 HydrophobicContact CB-CE 4.49Å; Q481-M653 PolarHBondContact NE2-O 3.33Å; Q649-M653 VanDerWaalsContact O-CB 3.32Å; Q649-M653 WeakPolarHBondContact O-CB 3.4Å; Q649-M653 PolarHBondContact O-N 2.88Å; I650-M653 WeakPolarHBondContact O-CB 3.39Å; I650-M653 PolarHBondContact O-N 3.35Å
654V94.5Very high93Very high0 Ų049.2 Ų49.20%024%0.244CC..THydrogen-bonded Turntrans-92.28.3174.6-52.20000113.9F461 A464 I465 R468 Y476 I650 Q652 L656F461-V654 HydrophobicContact CD2-CG1 3.96Å; F461-V654 HydrophobicContact CE1-CG1 4.42Å; F461-V654 HydrophobicContact CE2-CG1 3.61Å; F461-V654 HydrophobicContact CZ-CG1 3.87Å; A464-V654 HydrophobicContact CB-CB 4.48Å; A464-V654 HydrophobicContact CB-CG1 4.24Å; A464-V654 HydrophobicContact CB-CG2 3.5Å; A464-V654 VanDerWaalsContact CB-CG2 3.5Å; I465-V654 HydrophobicContact CD1-CG1 4.49Å; I465-V654 HydrophobicContact CG1-CB 4.12Å; I465-V654 HydrophobicContact CG1-CG1 3.75Å; R468-V654 VanDerWaalsContact CD-O 3.22Å; R468-V654 WeakPolarHBondContact CD-O 3.44Å; R468-V654 PolarHBondContact NH1-O 3.01Å; Y476-V654 VanDerWaalsContact OH-C 3.31Å; Y476-V654 VanDerWaalsContact OH-CA 3.32Å; Y476-V654 WeakPolarHBondContact OH-CA 3.45Å; Y476-V654 PolarHBondContact OH-O 3.45Å; I650-V654 WeakPolarHBondContact O-CG2 3.31Å; I650-V654 PolarHBondContact O-N 3.21Å; Q652-V654 VanDerWaalsContact C-N 3.27Å; Q652-V654 PolarHBondContact O-N 3.04Å; V654-L656 VanDerWaalsContact C-N 3.3Å; V654-L656 HydrophobicContact CG2-CB 3.97Å; V654-L656 PolarHBondContact O-N 3.35Å
655G93Very high93.1Very high20 Ų2052.2 Ų52.221%0.20626%0.257CS..THydrogen-bonded Turntrans61.730.917800000114.8R468 D651 Q652R468-G655 WeakPolarHBondContact CD-O 3.35Å; R468-G655 PolarHBondContact NE-O 3.29Å; D651-G655 PolarHBondContact O-N 2.88Å; Q652-G655 PolarHBondContact O-N 3.38Å
656L90.7Very high93.1Very high58 Ų5847.9 Ų47.930%0.30423%0.234SC..  trans-81.9-27.6177.9178.461.4000112.8K467 R468 D651 V654K467-L656 HydrophobicContact CB-CD1 4.48Å; K467-L656 HydrophobicContact CB-CD2 3.7Å; R468-L656 HydrophobicContact CB-CD1 3.89Å; R468-L656 HydrophobicContact CG-CD1 4.23Å; D651-L656 HydrophobicContact CB-CB 4.2Å; D651-L656 HydrophobicContact CB-CD2 4.23Å; D651-L656 WeakPolarHBondContact O-CB 3.44Å; D651-L656 PolarHBondContact O-N 3.46Å; V654-L656 VanDerWaalsContact C-N 3.3Å; V654-L656 HydrophobicContact CG2-CB 3.97Å; V654-L656 PolarHBondContact O-N 3.35Å
657I85.1Confident93Very high140 Ų14050.1 Ų50.172%0.71825%0.247SC*.  trans-134.10-178.363.5176.6000112.9R648 D651 Q652R648-I657 HydrophobicContact CB-CD1 4.36Å; R648-I657 HydrophobicContact CG-CD1 4.39Å; D651-I657 HydrophobicContact CB-CD1 3.88Å; D651-I657 HydrophobicContact CB-CG1 3.94Å; D651-I657 HydrophobicContact CB-CG2 4.47Å; Q652-I657 HydrophobicContact CG-CD1 3.96Å; Q652-I657 HydrophobicContact CG-CG1 3.73Å

Retrieved 657 of 657 residues in 221.5 ms (Link to these results)

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